USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=24 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 59 MET CE :methyl 158:sc= -3.5! (180deg=-5.83!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -120:sc= 0.0467 (180deg=-0.0699) USER MOD Set 2.1: A 53 HIS : no HE2:sc= -4.49! C(o=-3.2!,f=-1.9!) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.24) USER MOD Single : A 14 TYR OH : rot 30:sc= -1.65 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.043) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00624 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.67) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0261 (180deg=-0.255) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= -0.389 (180deg=-0.464) USER MOD Single : A 44 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.1!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.575! USER MOD Single : A 61 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 64 MET CE :methyl -122:sc= -0.307 (180deg=-3.16!) USER MOD Single : A 65 SER OG : rot -69:sc= 0.0279 USER MOD Single : A 70 HIS : no HD1:sc= -4! C(o=-4!,f=-4.9!) USER MOD Single : A 71 TYR OH : rot 126:sc= -3.63! USER MOD Single : A 72 TYR OH : rot -50:sc= 0.138 USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= -0.115 (180deg=-0.597) USER MOD Single : A 75 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.043) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.805 K(o=-0.8,f=-3.2!) USER MOD Single : A 90 MET CE :methyl 166:sc= -0.184 (180deg=-0.425) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0146 (180deg=-0.162) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.93 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -4.11 K(o=-4.1,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -9.542 11.162 11.841 1.00 0.00 N ATOM 102 CA LEU A 10 -8.142 11.337 11.472 1.00 0.00 C ATOM 103 C LEU A 10 -7.779 10.459 10.279 1.00 0.00 C ATOM 104 O LEU A 10 -8.621 9.729 9.753 1.00 0.00 O ATOM 105 CB LEU A 10 -7.236 11.005 12.659 1.00 0.00 C ATOM 106 CG LEU A 10 -7.325 11.952 13.856 1.00 0.00 C ATOM 107 CD1 LEU A 10 -6.509 11.415 15.023 1.00 0.00 C ATOM 108 CD2 LEU A 10 -6.853 13.346 13.470 1.00 0.00 C ATOM 0 HA LEU A 10 -7.994 12.379 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.472 9.997 13.000 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.204 10.989 12.309 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.368 12.017 14.167 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.584 12.102 15.866 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.893 10.438 15.316 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.465 11.320 14.724 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.923 14.006 14.334 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.818 13.299 13.133 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.479 13.733 12.666 1.00 0.00 H new ATOM 120 N LEU A 11 -6.521 10.531 9.858 1.00 0.00 N ATOM 121 CA LEU A 11 -6.046 9.741 8.728 1.00 0.00 C ATOM 122 C LEU A 11 -5.485 8.402 9.198 1.00 0.00 C ATOM 123 O LEU A 11 -6.051 7.347 8.913 1.00 0.00 O ATOM 124 CB LEU A 11 -4.974 10.512 7.956 1.00 0.00 C ATOM 125 CG LEU A 11 -3.996 9.667 7.139 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.713 8.992 5.980 1.00 0.00 C ATOM 127 CD2 LEU A 11 -2.846 10.524 6.631 1.00 0.00 C ATOM 0 H LEU A 11 -5.812 11.129 10.282 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.893 9.549 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.471 11.209 7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.402 11.109 8.666 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.586 8.892 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.001 8.395 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.501 8.346 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.151 9.751 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.160 9.906 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.238 11.321 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.315 10.960 7.478 1.00 0.00 H new ATOM 139 N TRP A 12 -4.372 8.454 9.921 1.00 0.00 N ATOM 140 CA TRP A 12 -3.737 7.245 10.433 1.00 0.00 C ATOM 141 C TRP A 12 -4.778 6.183 10.769 1.00 0.00 C ATOM 142 O TRP A 12 -4.598 5.004 10.462 1.00 0.00 O ATOM 143 CB TRP A 12 -2.901 7.569 11.672 1.00 0.00 C ATOM 144 CG TRP A 12 -3.724 7.757 12.911 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.538 8.815 13.201 1.00 0.00 C ATOM 146 CD2 TRP A 12 -3.812 6.863 14.026 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.125 8.632 14.430 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.697 7.442 14.955 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.230 5.629 14.328 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.012 6.828 16.165 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.543 5.021 15.529 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.428 5.621 16.435 1.00 0.00 C ATOM 0 H TRP A 12 -3.891 9.320 10.166 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.083 6.851 9.655 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.185 6.765 11.839 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.325 8.475 11.486 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.697 9.669 12.559 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.774 9.278 14.879 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.548 5.159 13.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.693 7.289 16.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.098 4.068 15.773 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.653 5.120 17.365 1.00 0.00 H new ATOM 163 N ASP A 13 -5.866 6.608 11.401 1.00 0.00 N ATOM 164 CA ASP A 13 -6.937 5.693 11.779 1.00 0.00 C ATOM 165 C ASP A 13 -7.646 5.146 10.543 1.00 0.00 C ATOM 166 O ASP A 13 -7.836 3.937 10.408 1.00 0.00 O ATOM 167 CB ASP A 13 -7.944 6.399 12.688 1.00 0.00 C ATOM 168 CG ASP A 13 -8.751 5.426 13.524 1.00 0.00 C ATOM 169 OD1 ASP A 13 -8.263 4.301 13.763 1.00 0.00 O ATOM 170 OD2 ASP A 13 -9.871 5.788 13.940 1.00 0.00 O ATOM 0 H ASP A 13 -6.030 7.580 11.662 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.493 4.858 12.321 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.414 7.087 13.347 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.621 6.998 12.079 1.00 0.00 H new ATOM 175 N TYR A 14 -8.034 6.044 9.645 1.00 0.00 N ATOM 176 CA TYR A 14 -8.725 5.653 8.421 1.00 0.00 C ATOM 177 C TYR A 14 -8.148 4.356 7.862 1.00 0.00 C ATOM 178 O TYR A 14 -8.843 3.593 7.191 1.00 0.00 O ATOM 179 CB TYR A 14 -8.621 6.764 7.375 1.00 0.00 C ATOM 180 CG TYR A 14 -9.082 6.342 5.998 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.435 6.270 5.688 1.00 0.00 C ATOM 182 CD2 TYR A 14 -8.165 6.017 5.006 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.861 5.885 4.432 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.582 5.632 3.746 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.930 5.568 3.464 1.00 0.00 C ATOM 186 OH TYR A 14 -10.349 5.184 2.211 1.00 0.00 O ATOM 0 H TYR A 14 -7.882 7.048 9.741 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.775 5.488 8.662 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.215 7.617 7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.586 7.100 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.166 6.520 6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.108 6.066 5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.916 5.832 4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.856 5.383 2.986 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.204 5.617 2.005 1.00 0.00 H new ATOM 196 N VAL A 15 -6.872 4.113 8.144 1.00 0.00 N ATOM 197 CA VAL A 15 -6.201 2.908 7.671 1.00 0.00 C ATOM 198 C VAL A 15 -6.955 1.655 8.100 1.00 0.00 C ATOM 199 O VAL A 15 -7.415 0.877 7.263 1.00 0.00 O ATOM 200 CB VAL A 15 -4.755 2.829 8.195 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.042 1.616 7.617 1.00 0.00 C ATOM 202 CG2 VAL A 15 -3.999 4.108 7.867 1.00 0.00 C ATOM 0 H VAL A 15 -6.282 4.734 8.698 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.183 2.962 6.583 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.786 2.720 9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.022 1.577 7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.573 0.709 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.020 1.691 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.979 4.035 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.977 4.251 6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.499 4.956 8.335 1.00 0.00 H new ATOM 212 N TYR A 16 -7.078 1.464 9.409 1.00 0.00 N ATOM 213 CA TYR A 16 -7.775 0.304 9.950 1.00 0.00 C ATOM 214 C TYR A 16 -9.094 0.071 9.220 1.00 0.00 C ATOM 215 O TYR A 16 -9.334 -1.009 8.681 1.00 0.00 O ATOM 216 CB TYR A 16 -8.033 0.490 11.446 1.00 0.00 C ATOM 217 CG TYR A 16 -8.105 -0.811 12.215 1.00 0.00 C ATOM 218 CD1 TYR A 16 -7.104 -1.767 12.096 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.174 -1.083 13.059 1.00 0.00 C ATOM 220 CE1 TYR A 16 -7.166 -2.957 12.795 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.244 -2.270 13.763 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.237 -3.203 13.628 1.00 0.00 C ATOM 223 OH TYR A 16 -8.304 -4.387 14.327 1.00 0.00 O ATOM 0 H TYR A 16 -6.704 2.098 10.115 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.141 -0.570 9.803 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.241 1.109 11.868 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.968 1.034 11.580 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.263 -1.577 11.446 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.964 -0.354 13.167 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.380 -3.690 12.690 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.082 -2.466 14.415 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.121 -4.402 14.868 1.00 0.00 H new ATOM 233 N GLN A 17 -9.944 1.092 9.207 1.00 0.00 N ATOM 234 CA GLN A 17 -11.239 0.999 8.544 1.00 0.00 C ATOM 235 C GLN A 17 -11.109 0.304 7.192 1.00 0.00 C ATOM 236 O GLN A 17 -12.034 -0.371 6.738 1.00 0.00 O ATOM 237 CB GLN A 17 -11.842 2.393 8.358 1.00 0.00 C ATOM 238 CG GLN A 17 -12.388 2.995 9.643 1.00 0.00 C ATOM 239 CD GLN A 17 -13.765 2.468 9.995 1.00 0.00 C ATOM 240 OE1 GLN A 17 -14.004 2.025 11.119 1.00 0.00 O ATOM 241 NE2 GLN A 17 -14.680 2.515 9.034 1.00 0.00 N ATOM 0 H GLN A 17 -9.759 1.993 9.648 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.901 0.406 9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.081 3.058 7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.645 2.338 7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.701 2.780 10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.433 4.079 9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.438 2.890 8.117 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.625 2.176 9.213 1.00 0.00 H new ATOM 250 N LEU A 18 -9.957 0.474 6.553 1.00 0.00 N ATOM 251 CA LEU A 18 -9.706 -0.137 5.253 1.00 0.00 C ATOM 252 C LEU A 18 -9.230 -1.577 5.410 1.00 0.00 C ATOM 253 O LEU A 18 -9.844 -2.507 4.884 1.00 0.00 O ATOM 254 CB LEU A 18 -8.665 0.674 4.479 1.00 0.00 C ATOM 255 CG LEU A 18 -9.071 2.099 4.100 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.904 2.833 3.457 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.272 2.082 3.167 1.00 0.00 C ATOM 0 H LEU A 18 -9.182 1.030 6.914 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.643 -0.142 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.755 0.724 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.418 0.133 3.566 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.351 2.630 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.211 3.845 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.071 2.877 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.592 2.303 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.546 3.105 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.020 1.533 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.112 1.596 3.664 1.00 0.00 H new ATOM 269 N LEU A 19 -8.134 -1.756 6.139 1.00 0.00 N ATOM 270 CA LEU A 19 -7.576 -3.085 6.368 1.00 0.00 C ATOM 271 C LEU A 19 -8.681 -4.100 6.642 1.00 0.00 C ATOM 272 O LEU A 19 -8.746 -5.149 6.002 1.00 0.00 O ATOM 273 CB LEU A 19 -6.596 -3.052 7.542 1.00 0.00 C ATOM 274 CG LEU A 19 -5.136 -2.764 7.190 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.689 -3.626 6.020 1.00 0.00 C ATOM 276 CD2 LEU A 19 -4.946 -1.288 6.870 1.00 0.00 C ATOM 0 H LEU A 19 -7.614 -0.998 6.582 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.044 -3.389 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.934 -2.296 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.642 -4.013 8.055 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.519 -3.011 8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.648 -3.407 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.788 -4.679 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.311 -3.411 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.901 -1.101 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.575 -1.016 6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.226 -0.689 7.737 1.00 0.00 H new ATOM 288 N SER A 20 -9.550 -3.778 7.595 1.00 0.00 N ATOM 289 CA SER A 20 -10.652 -4.663 7.955 1.00 0.00 C ATOM 290 C SER A 20 -11.415 -5.113 6.712 1.00 0.00 C ATOM 291 O SER A 20 -11.651 -6.305 6.514 1.00 0.00 O ATOM 292 CB SER A 20 -11.604 -3.958 8.924 1.00 0.00 C ATOM 293 OG SER A 20 -12.730 -4.768 9.211 1.00 0.00 O ATOM 0 H SER A 20 -9.512 -2.911 8.132 1.00 0.00 H new ATOM 0 HA SER A 20 -10.234 -5.544 8.443 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.077 -3.721 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.933 -3.012 8.493 1.00 0.00 H new ATOM 0 HG SER A 20 -13.322 -4.296 9.833 1.00 0.00 H new ATOM 299 N ASP A 21 -11.796 -4.151 5.879 1.00 0.00 N ATOM 300 CA ASP A 21 -12.532 -4.447 4.655 1.00 0.00 C ATOM 301 C ASP A 21 -11.617 -5.081 3.612 1.00 0.00 C ATOM 302 O ASP A 21 -10.860 -4.388 2.932 1.00 0.00 O ATOM 303 CB ASP A 21 -13.161 -3.172 4.092 1.00 0.00 C ATOM 304 CG ASP A 21 -14.273 -2.638 4.972 1.00 0.00 C ATOM 305 OD1 ASP A 21 -14.035 -2.458 6.185 1.00 0.00 O ATOM 306 OD2 ASP A 21 -15.382 -2.400 4.449 1.00 0.00 O ATOM 0 H ASP A 21 -11.608 -3.160 6.029 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.323 -5.156 4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.391 -2.409 3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.555 -3.374 3.096 1.00 0.00 H new ATOM 311 N SER A 22 -11.692 -6.403 3.492 1.00 0.00 N ATOM 312 CA SER A 22 -10.867 -7.131 2.535 1.00 0.00 C ATOM 313 C SER A 22 -11.013 -6.544 1.134 1.00 0.00 C ATOM 314 O SER A 22 -10.051 -6.494 0.367 1.00 0.00 O ATOM 315 CB SER A 22 -11.252 -8.612 2.522 1.00 0.00 C ATOM 316 OG SER A 22 -12.451 -8.821 1.796 1.00 0.00 O ATOM 0 H SER A 22 -12.315 -6.991 4.045 1.00 0.00 H new ATOM 0 HA SER A 22 -9.826 -7.035 2.843 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.447 -9.196 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.376 -8.968 3.545 1.00 0.00 H new ATOM 0 HG SER A 22 -12.674 -9.775 1.801 1.00 0.00 H new ATOM 322 N ARG A 23 -12.223 -6.101 0.808 1.00 0.00 N ATOM 323 CA ARG A 23 -12.496 -5.518 -0.500 1.00 0.00 C ATOM 324 C ARG A 23 -11.487 -4.421 -0.828 1.00 0.00 C ATOM 325 O ARG A 23 -11.339 -4.025 -1.984 1.00 0.00 O ATOM 326 CB ARG A 23 -13.915 -4.950 -0.542 1.00 0.00 C ATOM 327 CG ARG A 23 -14.993 -5.980 -0.247 1.00 0.00 C ATOM 328 CD ARG A 23 -16.362 -5.332 -0.115 1.00 0.00 C ATOM 329 NE ARG A 23 -17.444 -6.297 -0.290 1.00 0.00 N ATOM 330 CZ ARG A 23 -18.729 -5.999 -0.130 1.00 0.00 C ATOM 331 NH1 ARG A 23 -19.090 -4.769 0.207 1.00 0.00 N ATOM 332 NH2 ARG A 23 -19.655 -6.932 -0.307 1.00 0.00 N ATOM 0 H ARG A 23 -13.029 -6.135 1.432 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.405 -6.306 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.993 -4.138 0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.096 -4.519 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.016 -6.722 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.750 -6.509 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.449 -4.864 0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.460 -4.539 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.200 -7.253 -0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.381 -4.049 0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -20.077 -4.543 0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.381 -7.880 -0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.641 -6.702 -0.184 1.00 0.00 H new ATOM 346 N TYR A 24 -10.797 -3.934 0.197 1.00 0.00 N ATOM 347 CA TYR A 24 -9.804 -2.881 0.019 1.00 0.00 C ATOM 348 C TYR A 24 -8.391 -3.431 0.181 1.00 0.00 C ATOM 349 O TYR A 24 -7.484 -2.723 0.617 1.00 0.00 O ATOM 350 CB TYR A 24 -10.042 -1.752 1.023 1.00 0.00 C ATOM 351 CG TYR A 24 -11.386 -1.077 0.867 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.564 -1.753 1.162 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.479 0.237 0.425 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.794 -1.141 1.021 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.704 0.858 0.283 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.859 0.165 0.581 1.00 0.00 C ATOM 357 OH TYR A 24 -15.082 0.780 0.439 1.00 0.00 O ATOM 0 H TYR A 24 -10.907 -4.252 1.160 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.907 -2.487 -0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.961 -2.153 2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.255 -1.006 0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.517 -2.775 1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.577 0.782 0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.700 -1.682 1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.758 1.881 -0.060 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.952 1.698 0.121 1.00 0.00 H new ATOM 367 N GLU A 25 -8.212 -4.700 -0.175 1.00 0.00 N ATOM 368 CA GLU A 25 -6.909 -5.346 -0.069 1.00 0.00 C ATOM 369 C GLU A 25 -5.976 -4.874 -1.180 1.00 0.00 C ATOM 370 O GLU A 25 -4.873 -4.396 -0.918 1.00 0.00 O ATOM 371 CB GLU A 25 -7.063 -6.867 -0.128 1.00 0.00 C ATOM 372 CG GLU A 25 -7.257 -7.513 1.233 1.00 0.00 C ATOM 373 CD GLU A 25 -7.062 -9.017 1.199 1.00 0.00 C ATOM 374 OE1 GLU A 25 -5.927 -9.463 0.931 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.046 -9.747 1.440 1.00 0.00 O ATOM 0 H GLU A 25 -8.952 -5.300 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.472 -5.070 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.915 -7.113 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.179 -7.295 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.554 -7.075 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.259 -7.289 1.598 1.00 0.00 H new ATOM 382 N ASN A 26 -6.427 -5.014 -2.422 1.00 0.00 N ATOM 383 CA ASN A 26 -5.633 -4.603 -3.575 1.00 0.00 C ATOM 384 C ASN A 26 -4.995 -3.238 -3.337 1.00 0.00 C ATOM 385 O ASN A 26 -3.907 -2.953 -3.838 1.00 0.00 O ATOM 386 CB ASN A 26 -6.504 -4.561 -4.832 1.00 0.00 C ATOM 387 CG ASN A 26 -7.311 -5.831 -5.019 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.890 -6.913 -4.611 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.479 -5.703 -5.638 1.00 0.00 N ATOM 0 H ASN A 26 -7.338 -5.409 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.838 -5.335 -3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.181 -3.709 -4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.870 -4.405 -5.705 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.067 -6.522 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.788 -4.786 -5.959 1.00 0.00 H new ATOM 396 N PHE A 27 -5.681 -2.397 -2.570 1.00 0.00 N ATOM 397 CA PHE A 27 -5.182 -1.060 -2.266 1.00 0.00 C ATOM 398 C PHE A 27 -4.286 -1.082 -1.031 1.00 0.00 C ATOM 399 O PHE A 27 -3.290 -0.361 -0.961 1.00 0.00 O ATOM 400 CB PHE A 27 -6.349 -0.095 -2.046 1.00 0.00 C ATOM 401 CG PHE A 27 -7.089 0.247 -3.308 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.421 0.791 -4.393 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.453 0.027 -3.408 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.099 1.107 -5.555 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.136 0.340 -4.568 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.458 0.882 -5.642 1.00 0.00 C ATOM 0 H PHE A 27 -6.583 -2.617 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.592 -0.718 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.046 -0.536 -1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.971 0.823 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.358 0.970 -4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.989 -0.394 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.566 1.529 -6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.199 0.161 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.990 1.129 -6.549 1.00 0.00 H new ATOM 416 N ILE A 28 -4.648 -1.912 -0.059 1.00 0.00 N ATOM 417 CA ILE A 28 -3.878 -2.028 1.173 1.00 0.00 C ATOM 418 C ILE A 28 -4.201 -3.327 1.903 1.00 0.00 C ATOM 419 O ILE A 28 -5.365 -3.634 2.159 1.00 0.00 O ATOM 420 CB ILE A 28 -4.144 -0.841 2.117 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.256 -0.940 3.359 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.613 -0.798 2.512 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.124 0.364 4.113 1.00 0.00 C ATOM 0 H ILE A 28 -5.470 -2.514 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.826 -2.026 0.889 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.901 0.083 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.664 -1.697 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.264 -1.280 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.786 0.046 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.227 -0.686 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.880 -1.724 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.481 0.219 4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.687 1.119 3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.109 0.695 4.443 1.00 0.00 H new ATOM 435 N ARG A 29 -3.162 -4.086 2.238 1.00 0.00 N ATOM 436 CA ARG A 29 -3.335 -5.352 2.940 1.00 0.00 C ATOM 437 C ARG A 29 -2.437 -5.417 4.172 1.00 0.00 C ATOM 438 O ARG A 29 -1.595 -4.546 4.385 1.00 0.00 O ATOM 439 CB ARG A 29 -3.025 -6.523 2.006 1.00 0.00 C ATOM 440 CG ARG A 29 -1.670 -6.419 1.327 1.00 0.00 C ATOM 441 CD ARG A 29 -1.622 -7.240 0.048 1.00 0.00 C ATOM 442 NE ARG A 29 -1.593 -8.675 0.320 1.00 0.00 N ATOM 443 CZ ARG A 29 -1.370 -9.595 -0.611 1.00 0.00 C ATOM 444 NH1 ARG A 29 -1.157 -9.233 -1.869 1.00 0.00 N ATOM 445 NH2 ARG A 29 -1.358 -10.882 -0.285 1.00 0.00 N ATOM 0 H ARG A 29 -2.192 -3.846 2.034 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.373 -5.421 3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.066 -7.451 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.801 -6.583 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.456 -5.375 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.893 -6.762 2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.491 -7.005 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.739 -6.962 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.753 -8.987 1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.164 -8.245 -2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.986 -9.942 -2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.520 -11.165 0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.187 -11.588 -1.001 1.00 0.00 H new ATOM 459 N TRP A 30 -2.624 -6.456 4.978 1.00 0.00 N ATOM 460 CA TRP A 30 -1.831 -6.635 6.189 1.00 0.00 C ATOM 461 C TRP A 30 -0.511 -7.333 5.878 1.00 0.00 C ATOM 462 O TRP A 30 -0.494 -8.499 5.488 1.00 0.00 O ATOM 463 CB TRP A 30 -2.617 -7.442 7.224 1.00 0.00 C ATOM 464 CG TRP A 30 -3.560 -6.607 8.036 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.925 -6.659 8.017 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.209 -5.595 8.985 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.443 -5.740 8.898 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.411 -5.075 9.505 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.996 -5.078 9.449 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.432 -4.064 10.462 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -2.019 -4.075 10.398 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.230 -3.577 10.898 1.00 0.00 C ATOM 0 H TRP A 30 -3.317 -7.187 4.815 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.611 -5.649 6.598 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.181 -8.222 6.714 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.916 -7.941 7.893 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.511 -7.324 7.400 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.435 -5.579 9.072 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.057 -5.456 9.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.364 -3.678 10.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.087 -3.667 10.761 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.214 -2.794 11.642 1.00 0.00 H new ATOM 483 N GLU A 31 0.591 -6.610 6.053 1.00 0.00 N ATOM 484 CA GLU A 31 1.915 -7.162 5.789 1.00 0.00 C ATOM 485 C GLU A 31 2.266 -8.243 6.808 1.00 0.00 C ATOM 486 O GLU A 31 2.499 -9.397 6.448 1.00 0.00 O ATOM 487 CB GLU A 31 2.969 -6.054 5.820 1.00 0.00 C ATOM 488 CG GLU A 31 3.041 -5.246 4.536 1.00 0.00 C ATOM 489 CD GLU A 31 3.241 -6.115 3.310 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.344 -6.681 3.156 1.00 0.00 O ATOM 491 OE2 GLU A 31 2.294 -6.230 2.504 1.00 0.00 O ATOM 0 H GLU A 31 0.593 -5.642 6.376 1.00 0.00 H new ATOM 0 HA GLU A 31 1.902 -7.613 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.753 -5.382 6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.945 -6.498 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.123 -4.669 4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.860 -4.530 4.607 1.00 0.00 H new ATOM 498 N ASP A 32 2.303 -7.859 8.079 1.00 0.00 N ATOM 499 CA ASP A 32 2.626 -8.794 9.151 1.00 0.00 C ATOM 500 C ASP A 32 1.665 -8.630 10.323 1.00 0.00 C ATOM 501 O ASP A 32 1.942 -7.892 11.269 1.00 0.00 O ATOM 502 CB ASP A 32 4.066 -8.585 9.622 1.00 0.00 C ATOM 503 CG ASP A 32 5.076 -9.261 8.716 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.887 -10.455 8.404 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.056 -8.596 8.319 1.00 0.00 O ATOM 0 H ASP A 32 2.113 -6.907 8.392 1.00 0.00 H new ATOM 0 HA ASP A 32 2.523 -9.806 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.279 -7.517 9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.174 -8.973 10.635 1.00 0.00 H new ATOM 510 N LYS A 33 0.532 -9.321 10.254 1.00 0.00 N ATOM 511 CA LYS A 33 -0.472 -9.252 11.309 1.00 0.00 C ATOM 512 C LYS A 33 0.166 -9.444 12.681 1.00 0.00 C ATOM 513 O LYS A 33 -0.232 -8.807 13.656 1.00 0.00 O ATOM 514 CB LYS A 33 -1.551 -10.314 11.085 1.00 0.00 C ATOM 515 CG LYS A 33 -2.657 -9.867 10.144 1.00 0.00 C ATOM 516 CD LYS A 33 -3.766 -9.145 10.890 1.00 0.00 C ATOM 517 CE LYS A 33 -5.077 -9.189 10.119 1.00 0.00 C ATOM 518 NZ LYS A 33 -5.669 -10.555 10.108 1.00 0.00 N ATOM 0 H LYS A 33 0.286 -9.936 9.478 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.930 -8.264 11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.085 -11.214 10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.989 -10.583 12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.242 -9.209 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.069 -10.734 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.904 -9.601 11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.477 -8.108 11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.784 -8.490 10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.907 -8.859 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.680 -10.494 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.181 -11.139 9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.560 -10.988 11.047 1.00 0.00 H new ATOM 532 N GLU A 34 1.160 -10.325 12.749 1.00 0.00 N ATOM 533 CA GLU A 34 1.853 -10.599 14.002 1.00 0.00 C ATOM 534 C GLU A 34 2.323 -9.304 14.658 1.00 0.00 C ATOM 535 O GLU A 34 2.214 -9.136 15.873 1.00 0.00 O ATOM 536 CB GLU A 34 3.048 -11.523 13.758 1.00 0.00 C ATOM 537 CG GLU A 34 3.954 -11.062 12.628 1.00 0.00 C ATOM 538 CD GLU A 34 5.183 -11.936 12.472 1.00 0.00 C ATOM 539 OE1 GLU A 34 6.046 -11.911 13.374 1.00 0.00 O ATOM 540 OE2 GLU A 34 5.281 -12.644 11.448 1.00 0.00 O ATOM 0 H GLU A 34 1.503 -10.860 11.951 1.00 0.00 H new ATOM 0 HA GLU A 34 1.152 -11.093 14.675 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.633 -11.596 14.675 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.682 -12.525 13.533 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.392 -11.062 11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.265 -10.034 12.813 1.00 0.00 H new ATOM 547 N SER A 35 2.847 -8.392 13.845 1.00 0.00 N ATOM 548 CA SER A 35 3.338 -7.114 14.347 1.00 0.00 C ATOM 549 C SER A 35 2.476 -5.963 13.837 1.00 0.00 C ATOM 550 O SER A 35 2.948 -4.836 13.689 1.00 0.00 O ATOM 551 CB SER A 35 4.793 -6.902 13.924 1.00 0.00 C ATOM 552 OG SER A 35 5.679 -7.616 14.769 1.00 0.00 O ATOM 0 H SER A 35 2.942 -8.514 12.837 1.00 0.00 H new ATOM 0 HA SER A 35 3.282 -7.133 15.435 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.926 -7.229 12.893 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.033 -5.839 13.955 1.00 0.00 H new ATOM 0 HG SER A 35 6.602 -7.466 14.477 1.00 0.00 H new ATOM 558 N LYS A 36 1.208 -6.256 13.570 1.00 0.00 N ATOM 559 CA LYS A 36 0.277 -5.248 13.077 1.00 0.00 C ATOM 560 C LYS A 36 0.956 -4.326 12.070 1.00 0.00 C ATOM 561 O LYS A 36 0.947 -3.104 12.228 1.00 0.00 O ATOM 562 CB LYS A 36 -0.280 -4.426 14.242 1.00 0.00 C ATOM 563 CG LYS A 36 -1.415 -5.111 14.983 1.00 0.00 C ATOM 564 CD LYS A 36 -2.769 -4.713 14.420 1.00 0.00 C ATOM 565 CE LYS A 36 -3.330 -3.491 15.129 1.00 0.00 C ATOM 566 NZ LYS A 36 -4.568 -2.988 14.472 1.00 0.00 N ATOM 0 H LYS A 36 0.801 -7.184 13.687 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.544 -5.762 12.577 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.526 -4.215 14.945 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.632 -3.466 13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.295 -6.192 14.915 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.369 -4.851 16.041 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.674 -4.505 13.354 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.465 -5.545 14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.546 -3.741 16.168 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.579 -2.701 15.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.057 -2.329 15.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.318 -2.494 13.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.195 -3.789 14.254 1.00 0.00 H new ATOM 580 N ILE A 37 1.542 -4.918 11.034 1.00 0.00 N ATOM 581 CA ILE A 37 2.222 -4.148 10.000 1.00 0.00 C ATOM 582 C ILE A 37 1.393 -4.091 8.722 1.00 0.00 C ATOM 583 O ILE A 37 0.944 -5.119 8.214 1.00 0.00 O ATOM 584 CB ILE A 37 3.606 -4.742 9.675 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.456 -4.834 10.944 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.308 -3.903 8.619 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.823 -5.440 10.713 1.00 0.00 C ATOM 0 H ILE A 37 1.559 -5.927 10.889 1.00 0.00 H new ATOM 0 HA ILE A 37 2.351 -3.139 10.391 1.00 0.00 H new ATOM 0 HB ILE A 37 3.470 -5.748 9.278 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.576 -3.835 11.364 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.924 -5.430 11.686 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.284 -4.336 8.400 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.707 -3.885 7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.437 -2.886 8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.370 -5.474 11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.711 -6.451 10.322 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.374 -4.832 9.995 1.00 0.00 H new ATOM 599 N PHE A 38 1.195 -2.883 8.205 1.00 0.00 N ATOM 600 CA PHE A 38 0.420 -2.691 6.985 1.00 0.00 C ATOM 601 C PHE A 38 1.239 -1.950 5.932 1.00 0.00 C ATOM 602 O PHE A 38 2.225 -1.285 6.251 1.00 0.00 O ATOM 603 CB PHE A 38 -0.864 -1.917 7.287 1.00 0.00 C ATOM 604 CG PHE A 38 -0.636 -0.670 8.093 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.142 -0.745 9.385 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.916 0.577 7.558 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.068 0.401 10.129 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.708 1.727 8.298 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.214 1.638 9.584 1.00 0.00 C ATOM 0 H PHE A 38 1.561 -2.022 8.612 1.00 0.00 H new ATOM 0 HA PHE A 38 0.159 -3.673 6.592 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.347 -1.650 6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.553 -2.568 7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.082 -1.710 9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.301 0.652 6.552 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.452 0.329 11.136 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.932 2.693 7.870 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.048 2.535 10.163 1.00 0.00 H new ATOM 619 N ARG A 39 0.823 -2.070 4.675 1.00 0.00 N ATOM 620 CA ARG A 39 1.518 -1.413 3.574 1.00 0.00 C ATOM 621 C ARG A 39 0.532 -0.967 2.498 1.00 0.00 C ATOM 622 O ARG A 39 -0.330 -1.738 2.075 1.00 0.00 O ATOM 623 CB ARG A 39 2.561 -2.354 2.968 1.00 0.00 C ATOM 624 CG ARG A 39 3.257 -1.783 1.744 1.00 0.00 C ATOM 625 CD ARG A 39 3.928 -2.874 0.924 1.00 0.00 C ATOM 626 NE ARG A 39 4.388 -2.381 -0.371 1.00 0.00 N ATOM 627 CZ ARG A 39 5.458 -1.608 -0.526 1.00 0.00 C ATOM 628 NH1 ARG A 39 6.173 -1.243 0.529 1.00 0.00 N ATOM 629 NH2 ARG A 39 5.813 -1.200 -1.737 1.00 0.00 N ATOM 0 H ARG A 39 0.008 -2.616 4.394 1.00 0.00 H new ATOM 0 HA ARG A 39 2.021 -0.530 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.310 -2.589 3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.077 -3.292 2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.532 -1.255 1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.002 -1.051 2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.775 -3.276 1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.228 -3.695 0.771 1.00 0.00 H new ATOM 0 HE ARG A 39 3.859 -2.644 -1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.902 -1.555 1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.994 -0.650 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.265 -1.479 -2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.634 -0.607 -1.855 1.00 0.00 H new ATOM 643 N ILE A 40 0.666 0.280 2.061 1.00 0.00 N ATOM 644 CA ILE A 40 -0.212 0.827 1.034 1.00 0.00 C ATOM 645 C ILE A 40 0.152 0.288 -0.345 1.00 0.00 C ATOM 646 O ILE A 40 1.041 0.813 -1.015 1.00 0.00 O ATOM 647 CB ILE A 40 -0.151 2.366 1.003 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.914 2.952 2.193 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.717 2.892 -0.308 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.720 4.443 2.360 1.00 0.00 C ATOM 0 H ILE A 40 1.374 0.931 2.402 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.226 0.516 1.287 1.00 0.00 H new ATOM 0 HB ILE A 40 0.892 2.676 1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.977 2.743 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.593 2.448 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.667 3.981 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.135 2.497 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.755 2.576 -0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.290 4.790 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.338 4.657 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.068 4.958 1.464 1.00 0.00 H new ATOM 662 N VAL A 41 -0.544 -0.764 -0.766 1.00 0.00 N ATOM 663 CA VAL A 41 -0.297 -1.374 -2.067 1.00 0.00 C ATOM 664 C VAL A 41 -0.212 -0.317 -3.162 1.00 0.00 C ATOM 665 O VAL A 41 0.618 -0.410 -4.066 1.00 0.00 O ATOM 666 CB VAL A 41 -1.399 -2.387 -2.430 1.00 0.00 C ATOM 667 CG1 VAL A 41 -1.081 -3.071 -3.751 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.568 -3.411 -1.318 1.00 0.00 C ATOM 0 H VAL A 41 -1.284 -1.211 -0.224 1.00 0.00 H new ATOM 0 HA VAL A 41 0.657 -1.897 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.340 -1.849 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.870 -3.783 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.014 -2.323 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.130 -3.598 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.351 -4.119 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.630 -3.946 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.845 -2.903 -0.394 1.00 0.00 H new ATOM 678 N ASP A 42 -1.076 0.688 -3.074 1.00 0.00 N ATOM 679 CA ASP A 42 -1.099 1.765 -4.057 1.00 0.00 C ATOM 680 C ASP A 42 -1.578 3.068 -3.424 1.00 0.00 C ATOM 681 O ASP A 42 -2.756 3.236 -3.106 1.00 0.00 O ATOM 682 CB ASP A 42 -2.002 1.392 -5.233 1.00 0.00 C ATOM 683 CG ASP A 42 -1.263 0.620 -6.309 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.603 1.263 -7.152 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.346 -0.626 -6.308 1.00 0.00 O ATOM 0 H ASP A 42 -1.770 0.780 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.083 1.912 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.838 0.794 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.424 2.299 -5.666 1.00 0.00 H new ATOM 690 N PRO A 43 -0.645 4.014 -3.237 1.00 0.00 N ATOM 691 CA PRO A 43 -0.949 5.318 -2.641 1.00 0.00 C ATOM 692 C PRO A 43 -1.793 6.194 -3.561 1.00 0.00 C ATOM 693 O PRO A 43 -2.691 6.901 -3.108 1.00 0.00 O ATOM 694 CB PRO A 43 0.433 5.941 -2.428 1.00 0.00 C ATOM 695 CG PRO A 43 1.305 5.282 -3.440 1.00 0.00 C ATOM 696 CD PRO A 43 0.777 3.883 -3.593 1.00 0.00 C ATOM 0 HA PRO A 43 -1.534 5.222 -1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.407 7.021 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.796 5.762 -1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.274 5.817 -4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.345 5.273 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.904 3.515 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.293 3.184 -2.935 1.00 0.00 H new ATOM 704 N ASN A 44 -1.497 6.141 -4.856 1.00 0.00 N ATOM 705 CA ASN A 44 -2.228 6.930 -5.840 1.00 0.00 C ATOM 706 C ASN A 44 -3.675 6.458 -5.950 1.00 0.00 C ATOM 707 O ASN A 44 -4.580 7.250 -6.206 1.00 0.00 O ATOM 708 CB ASN A 44 -1.545 6.841 -7.206 1.00 0.00 C ATOM 709 CG ASN A 44 -2.279 7.631 -8.272 1.00 0.00 C ATOM 710 OD1 ASN A 44 -3.479 7.448 -8.481 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.560 8.515 -8.953 1.00 0.00 N ATOM 0 H ASN A 44 -0.756 5.560 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.228 7.968 -5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.523 7.211 -7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.482 5.796 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.999 9.076 -9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.568 8.634 -8.746 1.00 0.00 H new ATOM 718 N GLY A 45 -3.884 5.159 -5.753 1.00 0.00 N ATOM 719 CA GLY A 45 -5.222 4.603 -5.834 1.00 0.00 C ATOM 720 C GLY A 45 -5.964 4.684 -4.515 1.00 0.00 C ATOM 721 O GLY A 45 -7.176 4.898 -4.488 1.00 0.00 O ATOM 0 H GLY A 45 -3.151 4.483 -5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.788 5.135 -6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.161 3.561 -6.150 1.00 0.00 H new ATOM 725 N LEU A 46 -5.236 4.510 -3.417 1.00 0.00 N ATOM 726 CA LEU A 46 -5.833 4.563 -2.087 1.00 0.00 C ATOM 727 C LEU A 46 -6.202 5.995 -1.712 1.00 0.00 C ATOM 728 O LEU A 46 -7.337 6.274 -1.327 1.00 0.00 O ATOM 729 CB LEU A 46 -4.869 3.985 -1.050 1.00 0.00 C ATOM 730 CG LEU A 46 -5.345 4.018 0.402 1.00 0.00 C ATOM 731 CD1 LEU A 46 -6.115 2.751 0.741 1.00 0.00 C ATOM 732 CD2 LEU A 46 -4.166 4.196 1.347 1.00 0.00 C ATOM 0 H LEU A 46 -4.232 4.331 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.744 3.964 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.657 2.950 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.928 4.531 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.015 4.869 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.446 2.793 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.983 2.667 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.469 1.884 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.525 4.217 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.471 3.366 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.657 5.133 1.121 1.00 0.00 H new ATOM 744 N ALA A 47 -5.235 6.900 -1.830 1.00 0.00 N ATOM 745 CA ALA A 47 -5.459 8.303 -1.507 1.00 0.00 C ATOM 746 C ALA A 47 -6.822 8.770 -2.007 1.00 0.00 C ATOM 747 O ALA A 47 -7.540 9.483 -1.305 1.00 0.00 O ATOM 748 CB ALA A 47 -4.354 9.164 -2.101 1.00 0.00 C ATOM 0 H ALA A 47 -4.289 6.686 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.443 8.408 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.534 10.210 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.392 8.854 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.343 9.046 -3.185 1.00 0.00 H new ATOM 754 N ARG A 48 -7.172 8.365 -3.223 1.00 0.00 N ATOM 755 CA ARG A 48 -8.448 8.744 -3.817 1.00 0.00 C ATOM 756 C ARG A 48 -9.596 8.495 -2.843 1.00 0.00 C ATOM 757 O ARG A 48 -10.514 9.309 -2.728 1.00 0.00 O ATOM 758 CB ARG A 48 -8.685 7.964 -5.111 1.00 0.00 C ATOM 759 CG ARG A 48 -7.951 8.538 -6.312 1.00 0.00 C ATOM 760 CD ARG A 48 -7.871 7.533 -7.450 1.00 0.00 C ATOM 761 NE ARG A 48 -9.056 7.575 -8.302 1.00 0.00 N ATOM 762 CZ ARG A 48 -9.222 8.449 -9.288 1.00 0.00 C ATOM 763 NH1 ARG A 48 -8.283 9.349 -9.546 1.00 0.00 N ATOM 764 NH2 ARG A 48 -10.328 8.424 -10.020 1.00 0.00 N ATOM 0 H ARG A 48 -6.590 7.774 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.412 9.809 -4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.372 6.930 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.754 7.946 -5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.461 9.438 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.945 8.835 -6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.985 7.736 -8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.755 6.530 -7.040 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.797 6.896 -8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.430 9.371 -8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.413 10.019 -10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.053 7.733 -9.826 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.454 9.096 -10.777 1.00 0.00 H new ATOM 778 N LEU A 49 -9.539 7.367 -2.146 1.00 0.00 N ATOM 779 CA LEU A 49 -10.574 7.010 -1.182 1.00 0.00 C ATOM 780 C LEU A 49 -10.566 7.967 0.006 1.00 0.00 C ATOM 781 O LEU A 49 -11.608 8.491 0.400 1.00 0.00 O ATOM 782 CB LEU A 49 -10.372 5.574 -0.695 1.00 0.00 C ATOM 783 CG LEU A 49 -10.046 4.539 -1.773 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.178 3.429 -1.202 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.325 3.967 -2.367 1.00 0.00 C ATOM 0 H LEU A 49 -8.787 6.683 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.541 7.086 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.566 5.571 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.277 5.257 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.489 5.034 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.956 2.702 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.247 3.852 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.708 2.936 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.074 3.232 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.908 3.487 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.910 4.771 -2.814 1.00 0.00 H new ATOM 797 N TRP A 50 -9.384 8.192 0.569 1.00 0.00 N ATOM 798 CA TRP A 50 -9.241 9.089 1.710 1.00 0.00 C ATOM 799 C TRP A 50 -9.717 10.495 1.362 1.00 0.00 C ATOM 800 O TRP A 50 -10.270 11.199 2.205 1.00 0.00 O ATOM 801 CB TRP A 50 -7.783 9.131 2.171 1.00 0.00 C ATOM 802 CG TRP A 50 -7.460 10.329 3.013 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.796 11.454 2.616 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.786 10.519 4.394 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.689 12.332 3.668 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.290 11.782 4.769 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.451 9.745 5.349 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.438 12.287 6.059 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.597 10.247 6.628 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.093 11.508 6.974 1.00 0.00 C ATOM 0 H TRP A 50 -8.512 7.766 0.254 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.861 8.707 2.521 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.563 8.227 2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.133 9.125 1.296 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.412 11.628 1.622 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.236 13.245 3.634 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.844 8.772 5.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.050 13.258 6.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.109 9.657 7.374 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.224 11.872 7.982 1.00 0.00 H new ATOM 821 N GLY A 51 -9.500 10.896 0.113 1.00 0.00 N ATOM 822 CA GLY A 51 -9.914 12.217 -0.324 1.00 0.00 C ATOM 823 C GLY A 51 -11.368 12.257 -0.750 1.00 0.00 C ATOM 824 O GLY A 51 -12.028 13.288 -0.630 1.00 0.00 O ATOM 0 H GLY A 51 -9.045 10.330 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.756 12.930 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.286 12.535 -1.156 1.00 0.00 H new ATOM 828 N ASN A 52 -11.868 11.131 -1.249 1.00 0.00 N ATOM 829 CA ASN A 52 -13.253 11.043 -1.696 1.00 0.00 C ATOM 830 C ASN A 52 -14.198 11.653 -0.665 1.00 0.00 C ATOM 831 O ASN A 52 -14.810 12.694 -0.907 1.00 0.00 O ATOM 832 CB ASN A 52 -13.636 9.584 -1.954 1.00 0.00 C ATOM 833 CG ASN A 52 -15.107 9.421 -2.286 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.558 9.810 -3.363 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.862 8.844 -1.358 1.00 0.00 N ATOM 0 H ASN A 52 -11.335 10.268 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.345 11.606 -2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.036 9.194 -2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.397 8.988 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.859 8.708 -1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.445 8.537 -0.479 1.00 0.00 H new ATOM 842 N HIS A 53 -14.312 10.998 0.486 1.00 0.00 N ATOM 843 CA HIS A 53 -15.181 11.477 1.555 1.00 0.00 C ATOM 844 C HIS A 53 -14.724 12.844 2.056 1.00 0.00 C ATOM 845 O HIS A 53 -15.543 13.696 2.399 1.00 0.00 O ATOM 846 CB HIS A 53 -15.199 10.477 2.712 1.00 0.00 C ATOM 847 CG HIS A 53 -13.903 10.401 3.459 1.00 0.00 C ATOM 848 ND1 HIS A 53 -13.156 9.246 3.555 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.220 11.347 4.146 1.00 0.00 C ATOM 850 CE1 HIS A 53 -12.072 9.484 4.270 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.086 10.751 4.641 1.00 0.00 N ATOM 0 H HIS A 53 -13.814 10.135 0.702 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.189 11.576 1.153 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.993 10.752 3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -15.443 9.488 2.323 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -13.402 8.348 3.139 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -13.512 12.378 4.280 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.304 8.764 4.511 1.00 0.00 H new ATOM 860 N LYS A 54 -13.411 13.045 2.095 1.00 0.00 N ATOM 861 CA LYS A 54 -12.844 14.308 2.553 1.00 0.00 C ATOM 862 C LYS A 54 -13.164 15.435 1.575 1.00 0.00 C ATOM 863 O LYS A 54 -12.808 16.589 1.806 1.00 0.00 O ATOM 864 CB LYS A 54 -11.329 14.180 2.721 1.00 0.00 C ATOM 865 CG LYS A 54 -10.768 15.023 3.853 1.00 0.00 C ATOM 866 CD LYS A 54 -11.218 14.506 5.210 1.00 0.00 C ATOM 867 CE LYS A 54 -10.241 13.484 5.768 1.00 0.00 C ATOM 868 NZ LYS A 54 -10.652 13.003 7.117 1.00 0.00 N ATOM 0 H LYS A 54 -12.720 12.349 1.815 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.291 14.549 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.079 13.134 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.843 14.469 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.679 15.020 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.090 16.057 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.311 15.340 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.206 14.055 5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.172 12.637 5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.247 13.927 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.009 12.247 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.611 13.791 7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.623 12.634 7.073 1.00 0.00 H new ATOM 882 N ASN A 55 -13.839 15.090 0.483 1.00 0.00 N ATOM 883 CA ASN A 55 -14.207 16.073 -0.529 1.00 0.00 C ATOM 884 C ASN A 55 -12.969 16.761 -1.096 1.00 0.00 C ATOM 885 O ASN A 55 -12.964 17.972 -1.313 1.00 0.00 O ATOM 886 CB ASN A 55 -15.157 17.116 0.064 1.00 0.00 C ATOM 887 CG ASN A 55 -16.561 16.577 0.255 1.00 0.00 C ATOM 888 OD1 ASN A 55 -17.193 16.110 -0.693 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.057 16.640 1.485 1.00 0.00 N ATOM 0 H ASN A 55 -14.142 14.138 0.277 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.713 15.549 -1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -14.767 17.454 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.191 17.987 -0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.997 16.293 1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.498 17.035 2.241 1.00 0.00 H new ATOM 896 N ARG A 56 -11.921 15.979 -1.333 1.00 0.00 N ATOM 897 CA ARG A 56 -10.676 16.512 -1.874 1.00 0.00 C ATOM 898 C ARG A 56 -10.274 15.770 -3.146 1.00 0.00 C ATOM 899 O ARG A 56 -9.360 14.946 -3.134 1.00 0.00 O ATOM 900 CB ARG A 56 -9.558 16.408 -0.835 1.00 0.00 C ATOM 901 CG ARG A 56 -8.237 16.999 -1.301 1.00 0.00 C ATOM 902 CD ARG A 56 -8.290 18.518 -1.341 1.00 0.00 C ATOM 903 NE ARG A 56 -8.217 19.103 -0.004 1.00 0.00 N ATOM 904 CZ ARG A 56 -9.284 19.371 0.740 1.00 0.00 C ATOM 905 NH1 ARG A 56 -10.500 19.107 0.281 1.00 0.00 N ATOM 906 NH2 ARG A 56 -9.136 19.904 1.946 1.00 0.00 N ATOM 0 H ARG A 56 -11.909 14.974 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.836 17.561 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.872 16.916 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.407 15.359 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.438 16.679 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.995 16.616 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.465 18.894 -1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.213 18.836 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.296 19.317 0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.617 18.697 -0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.318 19.314 0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.202 20.108 2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.956 20.110 2.517 1.00 0.00 H new ATOM 920 N THR A 57 -10.965 16.069 -4.242 1.00 0.00 N ATOM 921 CA THR A 57 -10.681 15.430 -5.521 1.00 0.00 C ATOM 922 C THR A 57 -9.187 15.438 -5.821 1.00 0.00 C ATOM 923 O THR A 57 -8.662 14.509 -6.433 1.00 0.00 O ATOM 924 CB THR A 57 -11.428 16.126 -6.674 1.00 0.00 C ATOM 925 OG1 THR A 57 -10.846 15.756 -7.929 1.00 0.00 O ATOM 926 CG2 THR A 57 -11.382 17.638 -6.514 1.00 0.00 C ATOM 0 H THR A 57 -11.725 16.749 -4.269 1.00 0.00 H new ATOM 0 HA THR A 57 -11.027 14.399 -5.443 1.00 0.00 H new ATOM 0 HB THR A 57 -12.469 15.805 -6.649 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.328 16.202 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.916 18.108 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.852 17.919 -5.572 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.345 17.973 -6.516 1.00 0.00 H new ATOM 934 N ASN A 58 -8.506 16.493 -5.385 1.00 0.00 N ATOM 935 CA ASN A 58 -7.071 16.622 -5.606 1.00 0.00 C ATOM 936 C ASN A 58 -6.286 16.095 -4.409 1.00 0.00 C ATOM 937 O ASN A 58 -5.249 16.648 -4.042 1.00 0.00 O ATOM 938 CB ASN A 58 -6.703 18.084 -5.869 1.00 0.00 C ATOM 939 CG ASN A 58 -7.208 18.575 -7.211 1.00 0.00 C ATOM 940 OD1 ASN A 58 -7.815 17.821 -7.972 1.00 0.00 O ATOM 941 ND2 ASN A 58 -6.958 19.845 -7.509 1.00 0.00 N ATOM 0 H ASN A 58 -8.926 17.271 -4.876 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.809 16.026 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.118 18.708 -5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.620 18.196 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.273 20.232 -8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.451 20.434 -6.848 1.00 0.00 H new ATOM 948 N MET A 59 -6.788 15.024 -3.804 1.00 0.00 N ATOM 949 CA MET A 59 -6.133 14.422 -2.649 1.00 0.00 C ATOM 950 C MET A 59 -4.950 13.561 -3.082 1.00 0.00 C ATOM 951 O MET A 59 -5.126 12.511 -3.700 1.00 0.00 O ATOM 952 CB MET A 59 -7.129 13.576 -1.854 1.00 0.00 C ATOM 953 CG MET A 59 -6.495 12.810 -0.704 1.00 0.00 C ATOM 954 SD MET A 59 -5.784 13.898 0.547 1.00 0.00 S ATOM 955 CE MET A 59 -7.244 14.327 1.491 1.00 0.00 C ATOM 0 H MET A 59 -7.646 14.555 -4.094 1.00 0.00 H new ATOM 0 HA MET A 59 -5.762 15.226 -2.014 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.911 14.225 -1.460 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.612 12.869 -2.528 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.247 12.171 -0.240 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.717 12.154 -1.095 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.950 14.652 2.489 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.778 15.134 0.989 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.895 13.456 1.571 1.00 0.00 H new ATOM 965 N THR A 60 -3.743 14.013 -2.753 1.00 0.00 N ATOM 966 CA THR A 60 -2.532 13.285 -3.110 1.00 0.00 C ATOM 967 C THR A 60 -1.948 12.564 -1.900 1.00 0.00 C ATOM 968 O THR A 60 -2.444 12.704 -0.782 1.00 0.00 O ATOM 969 CB THR A 60 -1.463 14.227 -3.696 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.217 13.533 -3.827 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.277 15.451 -2.813 1.00 0.00 C ATOM 0 H THR A 60 -3.579 14.879 -2.240 1.00 0.00 H new ATOM 0 HA THR A 60 -2.814 12.552 -3.866 1.00 0.00 H new ATOM 0 HB THR A 60 -1.800 14.556 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.457 14.138 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.517 16.101 -3.247 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.220 15.993 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.960 15.137 -1.818 1.00 0.00 H new ATOM 979 N TYR A 61 -0.892 11.791 -2.131 1.00 0.00 N ATOM 980 CA TYR A 61 -0.242 11.046 -1.060 1.00 0.00 C ATOM 981 C TYR A 61 0.654 11.958 -0.228 1.00 0.00 C ATOM 982 O TYR A 61 0.689 11.860 0.998 1.00 0.00 O ATOM 983 CB TYR A 61 0.581 9.894 -1.639 1.00 0.00 C ATOM 984 CG TYR A 61 1.276 9.058 -0.588 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.545 8.310 0.327 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.662 9.016 -0.509 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.175 7.545 1.290 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.301 8.253 0.449 1.00 0.00 C ATOM 989 CZ TYR A 61 2.553 7.519 1.346 1.00 0.00 C ATOM 990 OH TYR A 61 3.185 6.759 2.303 1.00 0.00 O ATOM 0 H TYR A 61 -0.468 11.664 -3.050 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.018 10.640 -0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.073 9.251 -2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.328 10.299 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.534 8.327 0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.251 9.590 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.592 6.971 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.380 8.231 0.495 1.00 0.00 H new ATOM 0 HH TYR A 61 4.156 6.850 2.205 1.00 0.00 H new ATOM 1000 N GLU A 62 1.376 12.845 -0.904 1.00 0.00 N ATOM 1001 CA GLU A 62 2.273 13.775 -0.228 1.00 0.00 C ATOM 1002 C GLU A 62 1.568 14.457 0.942 1.00 0.00 C ATOM 1003 O GLU A 62 2.111 14.545 2.043 1.00 0.00 O ATOM 1004 CB GLU A 62 2.788 14.829 -1.211 1.00 0.00 C ATOM 1005 CG GLU A 62 4.161 15.374 -0.855 1.00 0.00 C ATOM 1006 CD GLU A 62 5.287 14.545 -1.441 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.353 13.335 -1.139 1.00 0.00 O ATOM 1008 OE2 GLU A 62 6.103 15.107 -2.201 1.00 0.00 O ATOM 0 H GLU A 62 1.358 12.940 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 62 3.118 13.207 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.827 14.394 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.078 15.655 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.245 16.400 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.265 15.406 0.230 1.00 0.00 H new ATOM 1015 N LYS A 63 0.354 14.938 0.694 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.427 15.611 1.725 1.00 0.00 C ATOM 1017 C LYS A 63 -1.084 14.598 2.658 1.00 0.00 C ATOM 1018 O LYS A 63 -1.565 14.953 3.734 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.496 16.499 1.085 1.00 0.00 C ATOM 1020 CG LYS A 63 -2.810 15.781 0.830 1.00 0.00 C ATOM 1021 CD LYS A 63 -3.707 16.575 -0.106 1.00 0.00 C ATOM 1022 CE LYS A 63 -4.304 17.789 0.590 1.00 0.00 C ATOM 1023 NZ LYS A 63 -5.381 17.406 1.545 1.00 0.00 N ATOM 0 H LYS A 63 -0.110 14.874 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 63 0.250 16.233 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.680 17.356 1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.115 16.889 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.612 14.799 0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.325 15.616 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.133 16.898 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.509 15.934 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.519 18.325 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.707 18.474 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.273 17.861 1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.501 16.373 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.122 17.716 2.503 1.00 0.00 H new ATOM 1037 N MET A 64 -1.100 13.337 2.239 1.00 0.00 N ATOM 1038 CA MET A 64 -1.695 12.274 3.039 1.00 0.00 C ATOM 1039 C MET A 64 -0.724 11.792 4.112 1.00 0.00 C ATOM 1040 O MET A 64 -0.991 11.922 5.307 1.00 0.00 O ATOM 1041 CB MET A 64 -2.107 11.103 2.144 1.00 0.00 C ATOM 1042 CG MET A 64 -3.287 10.312 2.684 1.00 0.00 C ATOM 1043 SD MET A 64 -3.767 8.953 1.600 1.00 0.00 S ATOM 1044 CE MET A 64 -3.244 7.543 2.571 1.00 0.00 C ATOM 0 H MET A 64 -0.708 13.027 1.350 1.00 0.00 H new ATOM 0 HA MET A 64 -2.581 12.676 3.531 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.358 11.484 1.154 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.256 10.433 2.022 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.034 9.915 3.667 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.137 10.981 2.819 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.533 6.949 1.997 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.769 7.889 3.489 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.111 6.931 2.820 1.00 0.00 H new ATOM 1054 N SER A 65 0.401 11.235 3.678 1.00 0.00 N ATOM 1055 CA SER A 65 1.410 10.730 4.602 1.00 0.00 C ATOM 1056 C SER A 65 1.696 11.747 5.703 1.00 0.00 C ATOM 1057 O SER A 65 2.166 11.392 6.784 1.00 0.00 O ATOM 1058 CB SER A 65 2.701 10.398 3.851 1.00 0.00 C ATOM 1059 OG SER A 65 3.160 11.515 3.109 1.00 0.00 O ATOM 0 H SER A 65 0.637 11.122 2.692 1.00 0.00 H new ATOM 0 HA SER A 65 1.022 9.821 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.469 10.088 4.560 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.529 9.557 3.179 1.00 0.00 H new ATOM 0 HG SER A 65 2.543 11.691 2.368 1.00 0.00 H new ATOM 1065 N ARG A 66 1.410 13.013 5.419 1.00 0.00 N ATOM 1066 CA ARG A 66 1.637 14.083 6.383 1.00 0.00 C ATOM 1067 C ARG A 66 1.222 13.648 7.785 1.00 0.00 C ATOM 1068 O ARG A 66 2.039 13.621 8.705 1.00 0.00 O ATOM 1069 CB ARG A 66 0.863 15.338 5.976 1.00 0.00 C ATOM 1070 CG ARG A 66 1.648 16.271 5.069 1.00 0.00 C ATOM 1071 CD ARG A 66 2.442 17.291 5.871 1.00 0.00 C ATOM 1072 NE ARG A 66 2.900 18.402 5.041 1.00 0.00 N ATOM 1073 CZ ARG A 66 3.319 19.562 5.533 1.00 0.00 C ATOM 1074 NH1 ARG A 66 3.337 19.763 6.844 1.00 0.00 N ATOM 1075 NH2 ARG A 66 3.721 20.526 4.714 1.00 0.00 N ATOM 0 H ARG A 66 1.020 13.323 4.529 1.00 0.00 H new ATOM 0 HA ARG A 66 2.703 14.310 6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.055 15.040 5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.569 15.881 6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.327 15.689 4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.963 16.788 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.824 17.675 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.302 16.802 6.329 1.00 0.00 H new ATOM 0 HE ARG A 66 2.898 18.280 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.028 19.025 7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.659 20.655 7.219 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.708 20.376 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.043 21.416 5.093 1.00 0.00 H new ATOM 1089 N ALA A 67 -0.054 13.309 7.941 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.578 12.874 9.229 1.00 0.00 C ATOM 1091 C ALA A 67 0.325 11.821 9.862 1.00 0.00 C ATOM 1092 O ALA A 67 0.951 12.063 10.894 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.991 12.334 9.070 1.00 0.00 C ATOM 0 H ALA A 67 -0.744 13.328 7.190 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.604 13.738 9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.369 12.013 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.636 13.116 8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.981 11.486 8.386 1.00 0.00 H new ATOM 1099 N LEU A 68 0.388 10.650 9.236 1.00 0.00 N ATOM 1100 CA LEU A 68 1.214 9.558 9.738 1.00 0.00 C ATOM 1101 C LEU A 68 2.488 10.092 10.386 1.00 0.00 C ATOM 1102 O LEU A 68 2.869 9.664 11.475 1.00 0.00 O ATOM 1103 CB LEU A 68 1.570 8.597 8.602 1.00 0.00 C ATOM 1104 CG LEU A 68 0.438 7.697 8.105 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.481 7.311 9.254 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.347 8.389 7.000 1.00 0.00 C ATOM 0 H LEU A 68 -0.123 10.433 8.380 1.00 0.00 H new ATOM 0 HA LEU A 68 0.642 9.021 10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.938 9.182 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.392 7.963 8.933 1.00 0.00 H new ATOM 0 HG LEU A 68 0.876 6.786 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.280 6.671 8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.090 6.775 10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.912 8.211 9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.149 7.734 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.774 9.316 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.319 8.613 6.166 1.00 0.00 H new ATOM 1118 N ARG A 69 3.141 11.030 9.708 1.00 0.00 N ATOM 1119 CA ARG A 69 4.372 11.624 10.218 1.00 0.00 C ATOM 1120 C ARG A 69 4.140 12.267 11.582 1.00 0.00 C ATOM 1121 O ARG A 69 4.733 11.859 12.581 1.00 0.00 O ATOM 1122 CB ARG A 69 4.906 12.666 9.234 1.00 0.00 C ATOM 1123 CG ARG A 69 6.420 12.798 9.249 1.00 0.00 C ATOM 1124 CD ARG A 69 6.893 13.649 10.417 1.00 0.00 C ATOM 1125 NE ARG A 69 8.350 13.719 10.489 1.00 0.00 N ATOM 1126 CZ ARG A 69 9.084 14.538 9.745 1.00 0.00 C ATOM 1127 NH1 ARG A 69 8.500 15.354 8.878 1.00 0.00 N ATOM 1128 NH2 ARG A 69 10.406 14.544 9.867 1.00 0.00 N ATOM 0 H ARG A 69 2.839 11.395 8.805 1.00 0.00 H new ATOM 0 HA ARG A 69 5.110 10.830 10.331 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.583 12.402 8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.463 13.634 9.467 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.872 11.808 9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.757 13.243 8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.486 14.656 10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.504 13.236 11.347 1.00 0.00 H new ATOM 0 HE ARG A 69 8.830 13.105 11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.485 15.354 8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.066 15.982 8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.860 13.919 10.533 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.968 15.174 9.295 1.00 0.00 H new ATOM 1142 N HIS A 70 3.276 13.277 11.615 1.00 0.00 N ATOM 1143 CA HIS A 70 2.966 13.977 12.857 1.00 0.00 C ATOM 1144 C HIS A 70 2.763 12.990 14.002 1.00 0.00 C ATOM 1145 O HIS A 70 3.128 13.266 15.145 1.00 0.00 O ATOM 1146 CB HIS A 70 1.715 14.838 12.683 1.00 0.00 C ATOM 1147 CG HIS A 70 0.926 15.010 13.944 1.00 0.00 C ATOM 1148 ND1 HIS A 70 1.410 15.679 15.049 1.00 0.00 N ATOM 1149 CD2 HIS A 70 -0.321 14.598 14.272 1.00 0.00 C ATOM 1150 CE1 HIS A 70 0.496 15.669 16.002 1.00 0.00 C ATOM 1151 NE2 HIS A 70 -0.565 15.020 15.556 1.00 0.00 N ATOM 0 H HIS A 70 2.779 13.629 10.797 1.00 0.00 H new ATOM 0 HA HIS A 70 3.811 14.621 13.102 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.008 15.820 12.311 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.076 14.387 11.923 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.998 14.041 13.641 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.598 16.116 16.980 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.425 14.859 16.080 1.00 0.00 H new ATOM 1160 N TYR A 71 2.180 11.839 13.688 1.00 0.00 N ATOM 1161 CA TYR A 71 1.926 10.811 14.691 1.00 0.00 C ATOM 1162 C TYR A 71 3.219 10.106 15.088 1.00 0.00 C ATOM 1163 O TYR A 71 3.424 9.773 16.255 1.00 0.00 O ATOM 1164 CB TYR A 71 0.917 9.791 14.162 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.446 10.379 13.874 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.074 11.210 14.795 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -1.107 10.104 12.683 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.319 11.749 14.537 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.351 10.640 12.417 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.954 11.462 13.346 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.194 11.996 13.085 1.00 0.00 O ATOM 0 H TYR A 71 1.874 11.594 12.746 1.00 0.00 H new ATOM 0 HA TYR A 71 1.512 11.296 15.575 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.310 9.344 13.249 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.810 8.987 14.891 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.580 11.438 15.728 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.639 9.460 11.953 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.793 12.392 15.264 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.850 10.417 11.486 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.173 12.468 12.226 1.00 0.00 H new ATOM 1181 N TYR A 72 4.088 9.883 14.109 1.00 0.00 N ATOM 1182 CA TYR A 72 5.361 9.216 14.354 1.00 0.00 C ATOM 1183 C TYR A 72 6.017 9.746 15.626 1.00 0.00 C ATOM 1184 O TYR A 72 6.554 8.980 16.427 1.00 0.00 O ATOM 1185 CB TYR A 72 6.301 9.411 13.163 1.00 0.00 C ATOM 1186 CG TYR A 72 5.818 8.743 11.896 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.686 7.938 11.899 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.496 8.914 10.695 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.241 7.324 10.744 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.058 8.306 9.534 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.931 7.512 9.564 1.00 0.00 C ATOM 1192 OH TYR A 72 4.492 6.903 8.411 1.00 0.00 O ATOM 0 H TYR A 72 3.934 10.154 13.138 1.00 0.00 H new ATOM 0 HA TYR A 72 5.166 8.151 14.483 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.423 10.478 12.978 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.285 9.018 13.419 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.144 7.789 12.821 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.381 9.533 10.669 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.359 6.701 10.765 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.595 8.452 8.609 1.00 0.00 H new ATOM 0 HH TYR A 72 4.344 5.949 8.581 1.00 0.00 H new ATOM 1202 N LYS A 73 5.970 11.061 15.804 1.00 0.00 N ATOM 1203 CA LYS A 73 6.557 11.696 16.978 1.00 0.00 C ATOM 1204 C LYS A 73 5.799 11.307 18.244 1.00 0.00 C ATOM 1205 O LYS A 73 6.383 11.209 19.324 1.00 0.00 O ATOM 1206 CB LYS A 73 6.553 13.218 16.816 1.00 0.00 C ATOM 1207 CG LYS A 73 7.360 13.705 15.625 1.00 0.00 C ATOM 1208 CD LYS A 73 7.944 15.085 15.874 1.00 0.00 C ATOM 1209 CE LYS A 73 8.090 15.871 14.579 1.00 0.00 C ATOM 1210 NZ LYS A 73 6.770 16.154 13.951 1.00 0.00 N ATOM 0 H LYS A 73 5.531 11.709 15.150 1.00 0.00 H new ATOM 0 HA LYS A 73 7.586 11.349 17.071 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.524 13.561 16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.950 13.673 17.724 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.165 13.000 15.417 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.724 13.732 14.740 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.302 15.634 16.563 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.918 14.988 16.354 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.605 16.810 14.780 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.711 15.310 13.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.836 17.021 13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.498 15.357 13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.053 16.282 14.693 1.00 0.00 H new ATOM 1224 N LEU A 74 4.497 11.086 18.103 1.00 0.00 N ATOM 1225 CA LEU A 74 3.659 10.705 19.235 1.00 0.00 C ATOM 1226 C LEU A 74 3.914 9.257 19.639 1.00 0.00 C ATOM 1227 O LEU A 74 3.275 8.735 20.551 1.00 0.00 O ATOM 1228 CB LEU A 74 2.181 10.897 18.888 1.00 0.00 C ATOM 1229 CG LEU A 74 1.668 12.337 18.908 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.539 12.516 17.906 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.208 12.720 20.307 1.00 0.00 C ATOM 0 H LEU A 74 3.998 11.164 17.217 1.00 0.00 H new ATOM 0 HA LEU A 74 3.915 11.348 20.077 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.005 10.484 17.895 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.585 10.311 19.587 1.00 0.00 H new ATOM 0 HG LEU A 74 2.487 12.998 18.623 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.187 13.547 17.935 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.901 12.284 16.904 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.282 11.845 18.159 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.846 13.748 20.302 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.404 12.054 20.621 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.044 12.633 21.001 1.00 0.00 H new ATOM 1243 N ASN A 75 4.854 8.614 18.954 1.00 0.00 N ATOM 1244 CA ASN A 75 5.196 7.226 19.243 1.00 0.00 C ATOM 1245 C ASN A 75 4.009 6.306 18.972 1.00 0.00 C ATOM 1246 O ASN A 75 3.718 5.404 19.759 1.00 0.00 O ATOM 1247 CB ASN A 75 5.645 7.082 20.699 1.00 0.00 C ATOM 1248 CG ASN A 75 7.139 7.281 20.865 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.581 8.113 21.658 1.00 0.00 O ATOM 1250 ND2 ASN A 75 7.925 6.518 20.115 1.00 0.00 N ATOM 0 H ASN A 75 5.392 9.032 18.195 1.00 0.00 H new ATOM 0 HA ASN A 75 6.016 6.935 18.586 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.114 7.809 21.314 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.370 6.093 21.065 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.939 6.608 20.183 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.515 5.841 19.471 1.00 0.00 H new ATOM 1257 N ILE A 76 3.329 6.540 17.855 1.00 0.00 N ATOM 1258 CA ILE A 76 2.176 5.732 17.480 1.00 0.00 C ATOM 1259 C ILE A 76 2.500 4.829 16.294 1.00 0.00 C ATOM 1260 O ILE A 76 2.188 3.638 16.305 1.00 0.00 O ATOM 1261 CB ILE A 76 0.963 6.612 17.124 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.690 7.618 18.244 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.263 5.748 16.870 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.449 8.567 17.939 1.00 0.00 C ATOM 0 H ILE A 76 3.557 7.283 17.194 1.00 0.00 H new ATOM 0 HA ILE A 76 1.927 5.117 18.345 1.00 0.00 H new ATOM 0 HB ILE A 76 1.189 7.164 16.212 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.464 7.075 19.162 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.595 8.197 18.430 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.111 6.385 16.620 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.063 5.068 16.042 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.494 5.172 17.766 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.586 9.252 18.776 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.217 9.136 17.039 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.365 7.997 17.782 1.00 0.00 H new ATOM 1276 N ILE A 77 3.127 5.404 15.274 1.00 0.00 N ATOM 1277 CA ILE A 77 3.496 4.650 14.082 1.00 0.00 C ATOM 1278 C ILE A 77 4.928 4.958 13.658 1.00 0.00 C ATOM 1279 O ILE A 77 5.378 6.102 13.739 1.00 0.00 O ATOM 1280 CB ILE A 77 2.548 4.955 12.907 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.090 4.872 13.365 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.803 3.993 11.757 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.162 5.787 12.597 1.00 0.00 C ATOM 0 H ILE A 77 3.390 6.389 15.249 1.00 0.00 H new ATOM 0 HA ILE A 77 3.415 3.594 14.339 1.00 0.00 H new ATOM 0 HB ILE A 77 2.742 5.969 12.556 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.743 3.844 13.260 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.036 5.120 14.425 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.125 4.221 10.934 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.834 4.097 11.418 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.633 2.970 12.094 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.854 5.675 12.975 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.484 6.821 12.722 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.186 5.525 11.539 1.00 0.00 H new ATOM 1295 N ARG A 78 5.639 3.932 13.204 1.00 0.00 N ATOM 1296 CA ARG A 78 7.020 4.093 12.766 1.00 0.00 C ATOM 1297 C ARG A 78 7.177 3.689 11.303 1.00 0.00 C ATOM 1298 O ARG A 78 6.747 2.609 10.896 1.00 0.00 O ATOM 1299 CB ARG A 78 7.956 3.256 13.640 1.00 0.00 C ATOM 1300 CG ARG A 78 8.077 1.809 13.191 1.00 0.00 C ATOM 1301 CD ARG A 78 9.080 1.044 14.040 1.00 0.00 C ATOM 1302 NE ARG A 78 10.434 1.130 13.498 1.00 0.00 N ATOM 1303 CZ ARG A 78 11.499 0.608 14.095 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.369 -0.036 15.247 1.00 0.00 N ATOM 1305 NH2 ARG A 78 12.698 0.728 13.539 1.00 0.00 N ATOM 0 H ARG A 78 5.281 2.980 13.130 1.00 0.00 H new ATOM 0 HA ARG A 78 7.286 5.145 12.865 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.946 3.712 13.638 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.596 3.279 14.669 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.102 1.325 13.253 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.383 1.776 12.146 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.070 1.439 15.056 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.780 -0.002 14.101 1.00 0.00 H new ATOM 0 HE ARG A 78 10.569 1.618 12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.449 -0.131 15.677 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.189 -0.436 15.703 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.802 1.222 12.652 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.516 0.327 13.998 1.00 0.00 H new ATOM 1319 N LYS A 79 7.795 4.563 10.516 1.00 0.00 N ATOM 1320 CA LYS A 79 8.011 4.299 9.098 1.00 0.00 C ATOM 1321 C LYS A 79 9.333 3.571 8.875 1.00 0.00 C ATOM 1322 O LYS A 79 10.405 4.135 9.091 1.00 0.00 O ATOM 1323 CB LYS A 79 7.997 5.608 8.307 1.00 0.00 C ATOM 1324 CG LYS A 79 7.629 5.431 6.844 1.00 0.00 C ATOM 1325 CD LYS A 79 7.720 6.743 6.083 1.00 0.00 C ATOM 1326 CE LYS A 79 7.308 6.573 4.628 1.00 0.00 C ATOM 1327 NZ LYS A 79 7.142 7.884 3.942 1.00 0.00 N ATOM 0 H LYS A 79 8.156 5.462 10.837 1.00 0.00 H new ATOM 0 HA LYS A 79 7.201 3.660 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.289 6.295 8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.981 6.072 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.293 4.698 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.616 5.035 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.080 7.486 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.740 7.123 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.059 5.982 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.372 6.016 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.861 7.725 2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.407 8.438 4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.042 8.405 3.967 1.00 0.00 H new ATOM 1341 N GLU A 80 9.247 2.318 8.440 1.00 0.00 N ATOM 1342 CA GLU A 80 10.438 1.515 8.187 1.00 0.00 C ATOM 1343 C GLU A 80 11.318 2.167 7.125 1.00 0.00 C ATOM 1344 O GLU A 80 10.844 2.626 6.086 1.00 0.00 O ATOM 1345 CB GLU A 80 10.044 0.104 7.744 1.00 0.00 C ATOM 1346 CG GLU A 80 9.259 -0.666 8.792 1.00 0.00 C ATOM 1347 CD GLU A 80 10.120 -1.103 9.961 1.00 0.00 C ATOM 1348 OE1 GLU A 80 10.811 -0.243 10.544 1.00 0.00 O ATOM 1349 OE2 GLU A 80 10.101 -2.307 10.293 1.00 0.00 O ATOM 0 H GLU A 80 8.366 1.837 8.256 1.00 0.00 H new ATOM 0 HA GLU A 80 11.006 1.451 9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.449 0.171 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.946 -0.455 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.443 -0.044 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.807 -1.544 8.330 1.00 0.00 H new ATOM 1356 N PRO A 81 12.632 2.210 7.391 1.00 0.00 N ATOM 1357 CA PRO A 81 13.607 2.803 6.471 1.00 0.00 C ATOM 1358 C PRO A 81 13.791 1.972 5.206 1.00 0.00 C ATOM 1359 O PRO A 81 13.710 2.491 4.093 1.00 0.00 O ATOM 1360 CB PRO A 81 14.900 2.824 7.290 1.00 0.00 C ATOM 1361 CG PRO A 81 14.735 1.730 8.287 1.00 0.00 C ATOM 1362 CD PRO A 81 13.267 1.682 8.610 1.00 0.00 C ATOM 0 HA PRO A 81 13.292 3.786 6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.772 2.655 6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.043 3.787 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.077 0.778 7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.325 1.925 9.182 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.936 0.666 8.828 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.028 2.289 9.483 1.00 0.00 H new ATOM 1370 N GLY A 82 14.038 0.678 5.384 1.00 0.00 N ATOM 1371 CA GLY A 82 14.229 -0.205 4.248 1.00 0.00 C ATOM 1372 C GLY A 82 13.186 0.007 3.168 1.00 0.00 C ATOM 1373 O GLY A 82 13.522 0.312 2.024 1.00 0.00 O ATOM 0 H GLY A 82 14.109 0.225 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.221 -0.042 3.828 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.192 -1.241 4.586 1.00 0.00 H new ATOM 1377 N GLN A 83 11.918 -0.157 3.531 1.00 0.00 N ATOM 1378 CA GLN A 83 10.824 0.016 2.583 1.00 0.00 C ATOM 1379 C GLN A 83 10.442 1.487 2.455 1.00 0.00 C ATOM 1380 O GLN A 83 10.918 2.330 3.215 1.00 0.00 O ATOM 1381 CB GLN A 83 9.608 -0.803 3.021 1.00 0.00 C ATOM 1382 CG GLN A 83 9.785 -2.301 2.836 1.00 0.00 C ATOM 1383 CD GLN A 83 9.534 -2.746 1.408 1.00 0.00 C ATOM 1384 OE1 GLN A 83 8.416 -2.647 0.902 1.00 0.00 O ATOM 1385 NE2 GLN A 83 10.577 -3.240 0.751 1.00 0.00 N ATOM 0 H GLN A 83 11.623 -0.409 4.474 1.00 0.00 H new ATOM 0 HA GLN A 83 11.161 -0.339 1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.401 -0.597 4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.737 -0.476 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.797 -2.582 3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.103 -2.829 3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.486 -3.303 1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.470 -3.556 -0.213 1.00 0.00 H new ATOM 1394 N ARG A 84 9.581 1.787 1.489 1.00 0.00 N ATOM 1395 CA ARG A 84 9.137 3.157 1.260 1.00 0.00 C ATOM 1396 C ARG A 84 7.816 3.427 1.975 1.00 0.00 C ATOM 1397 O ARG A 84 7.775 4.141 2.978 1.00 0.00 O ATOM 1398 CB ARG A 84 8.981 3.422 -0.239 1.00 0.00 C ATOM 1399 CG ARG A 84 10.303 3.500 -0.984 1.00 0.00 C ATOM 1400 CD ARG A 84 10.092 3.770 -2.466 1.00 0.00 C ATOM 1401 NE ARG A 84 9.929 5.194 -2.744 1.00 0.00 N ATOM 1402 CZ ARG A 84 9.379 5.667 -3.857 1.00 0.00 C ATOM 1403 NH1 ARG A 84 8.941 4.834 -4.790 1.00 0.00 N ATOM 1404 NH2 ARG A 84 9.266 6.977 -4.038 1.00 0.00 N ATOM 0 H ARG A 84 9.177 1.100 0.852 1.00 0.00 H new ATOM 0 HA ARG A 84 9.894 3.830 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.372 2.631 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.439 4.357 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.919 4.290 -0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.849 2.565 -0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.942 3.386 -3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.210 3.230 -2.811 1.00 0.00 H new ATOM 0 HE ARG A 84 10.255 5.862 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.026 3.827 -4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.519 5.200 -5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.602 7.622 -3.322 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.844 7.339 -4.893 1.00 0.00 H new ATOM 1418 N LEU A 85 6.739 2.851 1.453 1.00 0.00 N ATOM 1419 CA LEU A 85 5.415 3.030 2.041 1.00 0.00 C ATOM 1420 C LEU A 85 5.097 1.903 3.019 1.00 0.00 C ATOM 1421 O LEU A 85 4.201 1.092 2.778 1.00 0.00 O ATOM 1422 CB LEU A 85 4.351 3.084 0.944 1.00 0.00 C ATOM 1423 CG LEU A 85 4.375 4.322 0.047 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.314 4.110 -1.131 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.972 4.654 -0.441 1.00 0.00 C ATOM 0 H LEU A 85 6.756 2.256 0.624 1.00 0.00 H new ATOM 0 HA LEU A 85 5.412 3.973 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.462 2.201 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.370 3.019 1.414 1.00 0.00 H new ATOM 0 HG LEU A 85 4.744 5.164 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.318 5.001 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.322 3.921 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.975 3.256 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.008 5.538 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.576 3.813 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.326 4.850 0.415 1.00 0.00 H new ATOM 1437 N LEU A 86 5.836 1.858 4.122 1.00 0.00 N ATOM 1438 CA LEU A 86 5.631 0.831 5.138 1.00 0.00 C ATOM 1439 C LEU A 86 5.320 1.460 6.493 1.00 0.00 C ATOM 1440 O LEU A 86 6.000 2.389 6.928 1.00 0.00 O ATOM 1441 CB LEU A 86 6.870 -0.059 5.248 1.00 0.00 C ATOM 1442 CG LEU A 86 6.620 -1.509 5.665 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.763 -1.564 6.919 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.962 -2.283 4.532 1.00 0.00 C ATOM 0 H LEU A 86 6.582 2.520 4.336 1.00 0.00 H new ATOM 0 HA LEU A 86 4.779 0.221 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.378 -0.062 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.554 0.392 5.967 1.00 0.00 H new ATOM 0 HG LEU A 86 7.581 -1.974 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.596 -2.604 7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.273 -1.046 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.805 -1.082 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.791 -3.313 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.009 -1.818 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.614 -2.273 3.658 1.00 0.00 H new ATOM 1456 N PHE A 87 4.290 0.945 7.155 1.00 0.00 N ATOM 1457 CA PHE A 87 3.889 1.455 8.462 1.00 0.00 C ATOM 1458 C PHE A 87 3.691 0.313 9.454 1.00 0.00 C ATOM 1459 O PHE A 87 2.987 -0.656 9.169 1.00 0.00 O ATOM 1460 CB PHE A 87 2.600 2.270 8.341 1.00 0.00 C ATOM 1461 CG PHE A 87 2.603 3.230 7.185 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.601 4.183 7.062 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.609 3.178 6.222 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.606 5.068 6.000 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.609 4.060 5.157 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.610 5.005 5.046 1.00 0.00 C ATOM 0 H PHE A 87 3.717 0.175 6.809 1.00 0.00 H new ATOM 0 HA PHE A 87 4.685 2.100 8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.757 1.587 8.234 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.444 2.827 9.265 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.384 4.235 7.804 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.825 2.440 6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.388 5.808 5.917 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.828 4.010 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.614 5.694 4.214 1.00 0.00 H new ATOM 1476 N ARG A 88 4.318 0.435 10.620 1.00 0.00 N ATOM 1477 CA ARG A 88 4.213 -0.587 11.654 1.00 0.00 C ATOM 1478 C ARG A 88 3.476 -0.049 12.877 1.00 0.00 C ATOM 1479 O ARG A 88 3.968 0.843 13.569 1.00 0.00 O ATOM 1480 CB ARG A 88 5.604 -1.079 12.059 1.00 0.00 C ATOM 1481 CG ARG A 88 5.598 -1.989 13.276 1.00 0.00 C ATOM 1482 CD ARG A 88 6.910 -1.906 14.040 1.00 0.00 C ATOM 1483 NE ARG A 88 6.952 -2.843 15.159 1.00 0.00 N ATOM 1484 CZ ARG A 88 7.266 -4.128 15.030 1.00 0.00 C ATOM 1485 NH1 ARG A 88 7.563 -4.625 13.838 1.00 0.00 N ATOM 1486 NH2 ARG A 88 7.282 -4.918 16.096 1.00 0.00 N ATOM 0 H ARG A 88 4.904 1.231 10.872 1.00 0.00 H new ATOM 0 HA ARG A 88 3.644 -1.423 11.247 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.050 -1.612 11.219 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.240 -0.217 12.263 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.774 -1.713 13.934 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.423 -3.018 12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.738 -2.114 13.362 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.049 -0.891 14.412 1.00 0.00 H new ATOM 0 HE ARG A 88 6.728 -2.492 16.090 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.551 -4.021 13.016 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.804 -5.612 13.742 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.053 -4.539 17.015 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.523 -5.904 15.996 1.00 0.00 H new ATOM 1500 N PHE A 89 2.293 -0.596 13.137 1.00 0.00 N ATOM 1501 CA PHE A 89 1.488 -0.170 14.276 1.00 0.00 C ATOM 1502 C PHE A 89 2.040 -0.743 15.578 1.00 0.00 C ATOM 1503 O PHE A 89 1.551 -1.754 16.080 1.00 0.00 O ATOM 1504 CB PHE A 89 0.033 -0.607 14.090 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.779 0.350 13.265 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.722 1.714 13.505 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.601 -0.113 12.250 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.468 2.597 12.748 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.349 0.765 11.490 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.283 2.122 11.740 1.00 0.00 C ATOM 0 H PHE A 89 1.871 -1.335 12.575 1.00 0.00 H new ATOM 0 HA PHE A 89 1.530 0.918 14.332 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.014 -1.589 13.617 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.433 -0.716 15.069 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.087 2.091 14.293 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.657 -1.173 12.051 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.414 3.658 12.945 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.985 0.391 10.701 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.868 2.810 11.148 1.00 0.00 H new ATOM 1520 N MET A 90 3.063 -0.089 16.118 1.00 0.00 N ATOM 1521 CA MET A 90 3.682 -0.533 17.362 1.00 0.00 C ATOM 1522 C MET A 90 2.653 -0.606 18.485 1.00 0.00 C ATOM 1523 O MET A 90 2.348 -1.686 18.991 1.00 0.00 O ATOM 1524 CB MET A 90 4.818 0.413 17.756 1.00 0.00 C ATOM 1525 CG MET A 90 5.651 0.888 16.576 1.00 0.00 C ATOM 1526 SD MET A 90 5.108 2.488 15.944 1.00 0.00 S ATOM 1527 CE MET A 90 6.100 3.599 16.939 1.00 0.00 C ATOM 0 H MET A 90 3.481 0.749 15.714 1.00 0.00 H new ATOM 0 HA MET A 90 4.089 -1.531 17.201 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.397 1.280 18.266 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.469 -0.092 18.470 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.696 0.956 16.878 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.598 0.149 15.777 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.069 4.599 16.507 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.704 3.630 17.954 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.131 3.245 16.962 1.00 0.00 H new ATOM 1537 N LYS A 91 2.121 0.548 18.871 1.00 0.00 N ATOM 1538 CA LYS A 91 1.126 0.615 19.934 1.00 0.00 C ATOM 1539 C LYS A 91 -0.275 0.365 19.384 1.00 0.00 C ATOM 1540 O LYS A 91 -0.478 0.320 18.170 1.00 0.00 O ATOM 1541 CB LYS A 91 1.177 1.980 20.624 1.00 0.00 C ATOM 1542 CG LYS A 91 0.592 1.976 22.026 1.00 0.00 C ATOM 1543 CD LYS A 91 1.240 3.033 22.904 1.00 0.00 C ATOM 1544 CE LYS A 91 2.602 2.582 23.408 1.00 0.00 C ATOM 1545 NZ LYS A 91 2.486 1.510 24.435 1.00 0.00 N ATOM 0 H LYS A 91 2.363 1.451 18.463 1.00 0.00 H new ATOM 0 HA LYS A 91 1.357 -0.163 20.662 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.213 2.314 20.673 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.636 2.705 20.016 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.482 2.154 21.973 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.731 0.993 22.476 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.348 3.959 22.340 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.591 3.250 23.752 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.197 2.219 22.570 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.133 3.435 23.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.388 1.419 24.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.731 1.754 25.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.258 0.608 23.971 1.00 0.00 H new ATOM 1559 N THR A 92 -1.240 0.204 20.285 1.00 0.00 N ATOM 1560 CA THR A 92 -2.621 -0.042 19.890 1.00 0.00 C ATOM 1561 C THR A 92 -3.397 1.264 19.764 1.00 0.00 C ATOM 1562 O THR A 92 -3.234 2.190 20.559 1.00 0.00 O ATOM 1563 CB THR A 92 -3.339 -0.958 20.899 1.00 0.00 C ATOM 1564 OG1 THR A 92 -4.619 -1.344 20.384 1.00 0.00 O ATOM 1565 CG2 THR A 92 -3.516 -0.256 22.237 1.00 0.00 C ATOM 0 H THR A 92 -1.090 0.240 21.293 1.00 0.00 H new ATOM 0 HA THR A 92 -2.589 -0.538 18.920 1.00 0.00 H new ATOM 0 HB THR A 92 -2.725 -1.846 21.051 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.069 -1.928 21.030 1.00 0.00 H new ATOM 0 HG21 THR A 92 -4.025 -0.923 22.933 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.539 0.011 22.640 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.111 0.647 22.098 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.263 1.343 18.743 1.00 0.00 N ATOM 1574 CA PRO A 93 -5.083 2.531 18.490 1.00 0.00 C ATOM 1575 C PRO A 93 -6.163 2.726 19.549 1.00 0.00 C ATOM 1576 O PRO A 93 -6.548 3.855 19.856 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.716 2.242 17.127 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.732 0.756 17.024 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.508 0.277 17.756 1.00 0.00 C ATOM 0 HA PRO A 93 -4.492 3.447 18.515 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.723 2.654 17.063 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.137 2.689 16.319 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.638 0.344 17.468 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.713 0.437 15.982 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.679 -0.686 18.238 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.661 0.150 17.082 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.647 1.621 20.104 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.682 1.670 21.130 1.00 0.00 C ATOM 1589 C ASP A 94 -7.143 2.288 22.416 1.00 0.00 C ATOM 1590 O ASP A 94 -7.909 2.664 23.303 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.220 0.266 21.410 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.698 0.269 21.747 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.420 1.155 21.243 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.133 -0.616 22.513 1.00 0.00 O ATOM 0 H ASP A 94 -6.339 0.680 19.861 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.495 2.295 20.761 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.050 -0.366 20.538 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.663 -0.175 22.236 1.00 0.00 H new ATOM 1599 N GLU A 95 -5.821 2.390 22.509 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.180 2.961 23.688 1.00 0.00 C ATOM 1601 C GLU A 95 -5.171 4.485 23.618 1.00 0.00 C ATOM 1602 O GLU A 95 -5.681 5.161 24.513 1.00 0.00 O ATOM 1603 CB GLU A 95 -3.749 2.437 23.822 1.00 0.00 C ATOM 1604 CG GLU A 95 -2.814 3.397 24.538 1.00 0.00 C ATOM 1605 CD GLU A 95 -3.472 4.076 25.724 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -4.075 3.364 26.555 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -3.383 5.317 25.822 1.00 0.00 O ATOM 0 H GLU A 95 -5.173 2.085 21.783 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.753 2.658 24.564 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.767 1.490 24.362 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.352 2.230 22.828 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.932 2.854 24.878 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.470 4.155 23.835 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.191 17.362 15.095 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.877 17.314 13.671 1.00 0.00 C ATOM 1796 C LEU A 107 -6.052 16.759 12.872 1.00 0.00 C ATOM 1797 O LEU A 107 -5.864 16.100 11.851 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.633 16.456 13.432 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.288 17.148 13.657 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -2.145 18.349 12.736 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -2.141 17.568 15.112 1.00 0.00 C ATOM 0 HA LEU A 107 -4.680 18.332 13.333 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.685 15.586 14.086 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.662 16.087 12.407 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.493 16.440 13.422 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.182 18.829 12.910 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.204 18.021 11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.946 19.060 12.938 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.178 18.059 15.254 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.942 18.259 15.374 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.197 16.688 15.752 1.00 0.00 H new ATOM 1813 N GLU A 108 -7.264 17.033 13.345 1.00 0.00 N ATOM 1814 CA GLU A 108 -8.470 16.562 12.673 1.00 0.00 C ATOM 1815 C GLU A 108 -8.577 17.154 11.271 1.00 0.00 C ATOM 1816 O GLU A 108 -8.657 16.425 10.282 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.711 16.927 13.490 1.00 0.00 C ATOM 1818 CG GLU A 108 -11.018 16.626 12.776 1.00 0.00 C ATOM 1819 CD GLU A 108 -12.225 17.176 13.513 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -12.330 16.945 14.735 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -13.063 17.839 12.866 1.00 0.00 O ATOM 0 H GLU A 108 -7.437 17.578 14.190 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.408 15.477 12.587 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.688 16.382 14.434 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.676 17.989 13.734 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.985 17.050 11.772 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.126 15.547 12.663 1.00 0.00 H new ATOM 1828 N SER A 109 -8.580 18.481 11.193 1.00 0.00 N ATOM 1829 CA SER A 109 -8.682 19.172 9.914 1.00 0.00 C ATOM 1830 C SER A 109 -7.447 20.030 9.659 1.00 0.00 C ATOM 1831 O SER A 109 -7.209 20.475 8.537 1.00 0.00 O ATOM 1832 CB SER A 109 -9.939 20.045 9.880 1.00 0.00 C ATOM 1833 OG SER A 109 -9.838 21.119 10.799 1.00 0.00 O ATOM 0 H SER A 109 -8.513 19.099 12.002 1.00 0.00 H new ATOM 0 HA SER A 109 -8.749 18.420 9.128 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.087 20.436 8.873 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.813 19.439 10.118 1.00 0.00 H new ATOM 0 HG SER A 109 -10.652 21.663 10.757 1.00 0.00 H new ATOM 1839 N GLN A 110 -6.664 20.256 10.709 1.00 0.00 N ATOM 1840 CA GLN A 110 -5.454 21.061 10.600 1.00 0.00 C ATOM 1841 C GLN A 110 -4.451 20.410 9.653 1.00 0.00 C ATOM 1842 O GLN A 110 -3.988 21.034 8.699 1.00 0.00 O ATOM 1843 CB GLN A 110 -4.820 21.257 11.978 1.00 0.00 C ATOM 1844 CG GLN A 110 -3.734 22.320 12.003 1.00 0.00 C ATOM 1845 CD GLN A 110 -2.414 21.820 11.450 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -2.237 20.623 11.222 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -1.478 22.736 11.231 1.00 0.00 N ATOM 0 H GLN A 110 -6.846 19.893 11.645 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.731 22.034 10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.598 21.528 12.691 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.397 20.310 12.312 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.062 23.183 11.424 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.588 22.661 13.028 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.667 23.717 11.434 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.570 22.458 10.860 1.00 0.00 H new ATOM 1856 N GLU A 111 -4.119 19.152 9.925 1.00 0.00 N ATOM 1857 CA GLU A 111 -3.169 18.417 9.097 1.00 0.00 C ATOM 1858 C GLU A 111 -3.495 18.585 7.616 1.00 0.00 C ATOM 1859 O GLU A 111 -2.625 18.920 6.812 1.00 0.00 O ATOM 1860 CB GLU A 111 -3.178 16.932 9.467 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.911 16.197 9.066 1.00 0.00 C ATOM 1862 CD GLU A 111 -0.652 16.940 9.471 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -0.423 17.097 10.688 1.00 0.00 O ATOM 1864 OE2 GLU A 111 0.103 17.364 8.571 1.00 0.00 O ATOM 0 H GLU A 111 -4.493 18.621 10.711 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.175 18.824 9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.319 16.835 10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.033 16.453 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.908 15.208 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.909 16.047 7.986 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.754 18.349 7.263 1.00 0.00 N ATOM 1872 CA LEU A 112 -5.196 18.474 5.878 1.00 0.00 C ATOM 1873 C LEU A 112 -4.906 19.870 5.338 1.00 0.00 C ATOM 1874 O LEU A 112 -4.946 20.853 6.077 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.692 18.173 5.771 1.00 0.00 C ATOM 1876 CG LEU A 112 -7.118 16.751 6.140 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -8.586 16.721 6.539 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -6.859 15.799 4.981 1.00 0.00 C ATOM 0 H LEU A 112 -5.486 18.070 7.916 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.643 17.751 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.230 18.870 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.010 18.372 4.748 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.524 16.423 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.872 15.702 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.743 17.372 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.197 17.068 5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.168 14.792 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.427 16.124 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.796 15.799 4.741 1.00 0.00 H new