USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 840 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 37 CYS SG : rot 141:sc= 0.747 USER MOD Set 1.2: A 41 GLN : amide:sc= -1.68! K(o=-0.93!,f=-0.35) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 16 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.9) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.934 USER MOD Single : A 38 GLN : amide:sc= -1.23 K(o=-1.2,f=-2) USER MOD Single : A 39 ASN : amide:sc= -0.0846 K(o=-0.085,f=-1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.318 X(o=0.32,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 66 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.2) USER MOD Single : A 70 SER OG : rot 180:sc= -1.01 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 97:sc= 0.89 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0236 USER MOD Single : A 83 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.26) USER MOD Single : A 84 CYS SG : rot 94:sc= -0.331! USER MOD Single : A 85 LYS NZ :NH3+ -151:sc= 0.136 (180deg=0.0145) USER MOD Single : A 92 TYR OH : rot 93:sc= 0.596 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0855 USER MOD Single : A 98 LYS NZ :NH3+ -132:sc= -0.29 (180deg=-1.43!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.19) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 -9.431 -5.935 -1.156 1.00 0.00 N ATOM 67 CA ASN A 8 -8.259 -6.436 -0.447 1.00 0.00 C ATOM 68 C ASN A 8 -7.572 -5.316 0.328 1.00 0.00 C ATOM 69 O ASN A 8 -6.955 -5.553 1.366 1.00 0.00 O ATOM 70 CB ASN A 8 -7.273 -7.068 -1.432 1.00 0.00 C ATOM 71 CG ASN A 8 -7.856 -8.277 -2.137 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.423 -9.166 -1.502 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.718 -8.316 -3.457 1.00 0.00 N ATOM 0 HA ASN A 8 -8.591 -7.194 0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.978 -6.326 -2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.369 -7.362 -0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.089 -9.105 -3.986 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.241 -7.557 -3.943 1.00 0.00 H new ATOM 80 N VAL A 9 -7.686 -4.094 -0.183 1.00 0.00 N ATOM 81 CA VAL A 9 -7.078 -2.936 0.462 1.00 0.00 C ATOM 82 C VAL A 9 -7.905 -2.475 1.657 1.00 0.00 C ATOM 83 O VAL A 9 -9.115 -2.277 1.548 1.00 0.00 O ATOM 84 CB VAL A 9 -6.921 -1.762 -0.523 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.330 -0.550 0.180 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.060 -2.174 -1.708 1.00 0.00 C ATOM 0 H VAL A 9 -8.194 -3.880 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.091 -3.247 0.805 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.908 -1.489 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.227 0.269 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.989 -0.244 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.350 -0.805 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.959 -1.333 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.074 -2.474 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.530 -3.010 -2.226 1.00 0.00 H new ATOM 96 N ARG A 10 -7.244 -2.306 2.798 1.00 0.00 N ATOM 97 CA ARG A 10 -7.918 -1.869 4.014 1.00 0.00 C ATOM 98 C ARG A 10 -7.801 -0.358 4.187 1.00 0.00 C ATOM 99 O ARG A 10 -6.838 0.257 3.730 1.00 0.00 O ATOM 100 CB ARG A 10 -7.328 -2.581 5.233 1.00 0.00 C ATOM 101 CG ARG A 10 -7.847 -3.997 5.422 1.00 0.00 C ATOM 102 CD ARG A 10 -9.107 -4.019 6.275 1.00 0.00 C ATOM 103 NE ARG A 10 -9.883 -5.239 6.071 1.00 0.00 N ATOM 104 CZ ARG A 10 -10.791 -5.685 6.932 1.00 0.00 C ATOM 105 NH1 ARG A 10 -11.035 -5.015 8.050 1.00 0.00 N ATOM 106 NH2 ARG A 10 -11.457 -6.804 6.677 1.00 0.00 N ATOM 0 H ARG A 10 -6.242 -2.465 2.905 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.974 -2.126 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.243 -2.611 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.552 -1.999 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.057 -4.442 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.077 -4.608 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.834 -3.934 7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.723 -3.153 6.034 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.719 -5.778 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.525 -4.155 8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.733 -5.360 8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.272 -7.323 5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.154 -7.145 7.339 1.00 0.00 H new ATOM 120 N VAL A 11 -8.789 0.235 4.851 1.00 0.00 N ATOM 121 CA VAL A 11 -8.797 1.674 5.086 1.00 0.00 C ATOM 122 C VAL A 11 -8.468 1.995 6.540 1.00 0.00 C ATOM 123 O VAL A 11 -9.322 1.880 7.419 1.00 0.00 O ATOM 124 CB VAL A 11 -10.161 2.293 4.730 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.183 3.773 5.078 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.475 2.079 3.257 1.00 0.00 C ATOM 0 H VAL A 11 -9.594 -0.259 5.236 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.032 2.105 4.440 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.931 1.794 5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.155 4.193 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.006 3.898 6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.404 4.290 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.443 2.523 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.703 2.550 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.505 1.011 3.043 1.00 0.00 H new ATOM 136 N ILE A 12 -7.227 2.400 6.784 1.00 0.00 N ATOM 137 CA ILE A 12 -6.786 2.740 8.132 1.00 0.00 C ATOM 138 C ILE A 12 -7.290 4.119 8.543 1.00 0.00 C ATOM 139 O ILE A 12 -7.273 5.062 7.750 1.00 0.00 O ATOM 140 CB ILE A 12 -5.250 2.712 8.246 1.00 0.00 C ATOM 141 CG1 ILE A 12 -4.723 1.301 7.975 1.00 0.00 C ATOM 142 CG2 ILE A 12 -4.813 3.192 9.621 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.219 0.271 8.965 1.00 0.00 C ATOM 0 H ILE A 12 -6.509 2.501 6.067 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.205 1.988 8.800 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.832 3.385 7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.017 0.999 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.633 1.318 7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.725 3.167 9.687 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.162 4.212 9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.238 2.541 10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.806 -0.705 8.712 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.902 0.550 9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.307 0.225 8.928 1.00 0.00 H new ATOM 155 N THR A 13 -7.738 4.232 9.790 1.00 0.00 N ATOM 156 CA THR A 13 -8.246 5.496 10.307 1.00 0.00 C ATOM 157 C THR A 13 -7.315 6.069 11.370 1.00 0.00 C ATOM 158 O THR A 13 -6.244 5.521 11.632 1.00 0.00 O ATOM 159 CB THR A 13 -9.654 5.331 10.910 1.00 0.00 C ATOM 160 OG1 THR A 13 -9.618 4.389 11.988 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.643 4.863 9.853 1.00 0.00 C ATOM 0 H THR A 13 -7.759 3.463 10.460 1.00 0.00 H new ATOM 0 HA THR A 13 -8.298 6.184 9.463 1.00 0.00 H new ATOM 0 HB THR A 13 -9.980 6.300 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.516 4.291 12.367 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.630 4.753 10.302 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.690 5.597 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.319 3.903 9.451 1.00 0.00 H new ATOM 169 N ASP A 14 -7.729 7.175 11.979 1.00 0.00 N ATOM 170 CA ASP A 14 -6.933 7.821 13.015 1.00 0.00 C ATOM 171 C ASP A 14 -6.960 7.010 14.307 1.00 0.00 C ATOM 172 O ASP A 14 -6.299 7.361 15.284 1.00 0.00 O ATOM 173 CB ASP A 14 -7.449 9.237 13.276 1.00 0.00 C ATOM 174 CG ASP A 14 -8.903 9.253 13.704 1.00 0.00 C ATOM 175 OD1 ASP A 14 -9.758 8.794 12.918 1.00 0.00 O ATOM 176 OD2 ASP A 14 -9.187 9.726 14.825 1.00 0.00 O ATOM 0 H ASP A 14 -8.612 7.643 11.773 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.902 7.877 12.664 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.840 9.706 14.049 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.333 9.835 12.372 1.00 0.00 H new ATOM 181 N GLU A 15 -7.728 5.926 14.303 1.00 0.00 N ATOM 182 CA GLU A 15 -7.842 5.067 15.475 1.00 0.00 C ATOM 183 C GLU A 15 -7.417 3.638 15.147 1.00 0.00 C ATOM 184 O GLU A 15 -6.957 2.901 16.017 1.00 0.00 O ATOM 185 CB GLU A 15 -9.278 5.074 16.003 1.00 0.00 C ATOM 186 CG GLU A 15 -9.416 4.497 17.402 1.00 0.00 C ATOM 187 CD GLU A 15 -10.822 4.631 17.953 1.00 0.00 C ATOM 188 OE1 GLU A 15 -11.737 3.974 17.414 1.00 0.00 O ATOM 189 OE2 GLU A 15 -11.007 5.394 18.924 1.00 0.00 O ATOM 0 H GLU A 15 -8.280 5.622 13.501 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.177 5.458 16.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.651 6.098 16.003 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.910 4.505 15.321 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.135 3.444 17.386 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.719 5.003 18.070 1.00 0.00 H new ATOM 196 N ASN A 16 -7.575 3.256 13.884 1.00 0.00 N ATOM 197 CA ASN A 16 -7.209 1.916 13.439 1.00 0.00 C ATOM 198 C ASN A 16 -5.695 1.734 13.450 1.00 0.00 C ATOM 199 O ASN A 16 -5.194 0.624 13.629 1.00 0.00 O ATOM 200 CB ASN A 16 -7.756 1.655 12.034 1.00 0.00 C ATOM 201 CG ASN A 16 -8.089 0.193 11.806 1.00 0.00 C ATOM 202 OD1 ASN A 16 -7.319 -0.695 12.172 1.00 0.00 O ATOM 203 ND2 ASN A 16 -9.242 -0.062 11.198 1.00 0.00 N ATOM 0 H ASN A 16 -7.954 3.855 13.151 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.648 1.198 14.131 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.651 2.257 11.878 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.022 1.977 11.296 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.521 -1.026 11.017 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.849 0.706 10.912 1.00 0.00 H new ATOM 210 N TRP A 17 -4.971 2.831 13.258 1.00 0.00 N ATOM 211 CA TRP A 17 -3.513 2.793 13.246 1.00 0.00 C ATOM 212 C TRP A 17 -2.986 1.813 14.288 1.00 0.00 C ATOM 213 O TRP A 17 -2.095 1.013 14.005 1.00 0.00 O ATOM 214 CB TRP A 17 -2.944 4.189 13.505 1.00 0.00 C ATOM 215 CG TRP A 17 -2.973 4.582 14.951 1.00 0.00 C ATOM 216 CD1 TRP A 17 -3.833 5.463 15.544 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.103 4.111 15.985 1.00 0.00 C ATOM 218 NE1 TRP A 17 -3.549 5.567 16.884 1.00 0.00 N ATOM 219 CE2 TRP A 17 -2.493 4.747 17.180 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.033 3.212 16.019 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -1.849 4.512 18.392 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.395 2.981 17.223 1.00 0.00 C ATOM 223 CH2 TRP A 17 -0.805 3.628 18.396 1.00 0.00 C ATOM 0 H TRP A 17 -5.370 3.758 13.108 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.191 2.455 12.261 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.916 4.227 13.146 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.511 4.918 12.926 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.620 5.999 15.034 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.044 6.159 17.551 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.711 2.707 15.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.163 5.010 19.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.434 2.290 17.260 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.287 3.425 19.322 1.00 0.00 H new ATOM 234 N ARG A 18 -3.542 1.882 15.493 1.00 0.00 N ATOM 235 CA ARG A 18 -3.126 1.001 16.578 1.00 0.00 C ATOM 236 C ARG A 18 -2.979 -0.436 16.085 1.00 0.00 C ATOM 237 O ARG A 18 -1.986 -1.102 16.373 1.00 0.00 O ATOM 238 CB ARG A 18 -4.136 1.057 17.725 1.00 0.00 C ATOM 239 CG ARG A 18 -4.155 2.391 18.454 1.00 0.00 C ATOM 240 CD ARG A 18 -5.168 2.391 19.588 1.00 0.00 C ATOM 241 NE ARG A 18 -5.630 3.739 19.909 1.00 0.00 N ATOM 242 CZ ARG A 18 -5.976 4.126 21.132 1.00 0.00 C ATOM 243 NH1 ARG A 18 -5.912 3.272 22.144 1.00 0.00 N ATOM 244 NH2 ARG A 18 -6.387 5.369 21.344 1.00 0.00 N ATOM 0 H ARG A 18 -4.282 2.539 15.743 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.157 1.344 16.940 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.132 0.853 17.331 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.907 0.266 18.439 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.163 2.604 18.851 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.395 3.188 17.750 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.021 1.771 19.312 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.720 1.941 20.474 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.690 4.421 19.153 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.597 2.315 21.985 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.178 3.572 23.082 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.438 6.029 20.568 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.652 5.665 22.283 1.00 0.00 H new ATOM 258 N GLU A 19 -3.976 -0.906 15.341 1.00 0.00 N ATOM 259 CA GLU A 19 -3.958 -2.264 14.811 1.00 0.00 C ATOM 260 C GLU A 19 -2.622 -2.568 14.140 1.00 0.00 C ATOM 261 O GLU A 19 -2.132 -3.697 14.188 1.00 0.00 O ATOM 262 CB GLU A 19 -5.099 -2.459 13.810 1.00 0.00 C ATOM 263 CG GLU A 19 -6.432 -2.786 14.463 1.00 0.00 C ATOM 264 CD GLU A 19 -6.596 -4.267 14.745 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.182 -5.081 13.894 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.139 -4.611 15.816 1.00 0.00 O ATOM 0 H GLU A 19 -4.805 -0.367 15.092 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.092 -2.954 15.644 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.208 -1.552 13.215 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.834 -3.262 13.122 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.521 -2.230 15.396 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.242 -2.452 13.814 1.00 0.00 H new ATOM 273 N LEU A 20 -2.036 -1.553 13.514 1.00 0.00 N ATOM 274 CA LEU A 20 -0.756 -1.710 12.832 1.00 0.00 C ATOM 275 C LEU A 20 0.301 -2.267 13.781 1.00 0.00 C ATOM 276 O LEU A 20 1.177 -3.030 13.372 1.00 0.00 O ATOM 277 CB LEU A 20 -0.291 -0.369 12.262 1.00 0.00 C ATOM 278 CG LEU A 20 -1.316 0.394 11.422 1.00 0.00 C ATOM 279 CD1 LEU A 20 -0.915 1.856 11.290 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.464 -0.246 10.050 1.00 0.00 C ATOM 0 H LEU A 20 -2.427 -0.612 13.465 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.892 -2.417 12.014 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.017 0.268 13.091 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.593 -0.544 11.649 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.280 0.347 11.928 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.656 2.384 10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.861 2.309 12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.059 1.924 10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.197 0.310 9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.503 -0.230 9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.798 -1.277 10.164 1.00 0.00 H new ATOM 292 N LEU A 21 0.212 -1.881 15.049 1.00 0.00 N ATOM 293 CA LEU A 21 1.160 -2.343 16.057 1.00 0.00 C ATOM 294 C LEU A 21 1.184 -3.867 16.124 1.00 0.00 C ATOM 295 O LEU A 21 2.189 -4.465 16.506 1.00 0.00 O ATOM 296 CB LEU A 21 0.799 -1.766 17.427 1.00 0.00 C ATOM 297 CG LEU A 21 0.667 -0.245 17.501 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.112 0.164 18.741 1.00 0.00 C ATOM 299 CD2 LEU A 21 2.041 0.410 17.491 1.00 0.00 C ATOM 0 H LEU A 21 -0.506 -1.250 15.403 1.00 0.00 H new ATOM 0 HA LEU A 21 2.153 -1.995 15.773 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.144 -2.208 17.748 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.559 -2.080 18.143 1.00 0.00 H new ATOM 0 HG LEU A 21 0.117 0.096 16.624 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.196 1.250 18.776 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.109 -0.276 18.706 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.409 -0.189 19.631 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.928 1.493 17.544 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.616 0.062 18.349 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.564 0.144 16.572 1.00 0.00 H new ATOM 311 N GLU A 22 0.070 -4.488 15.750 1.00 0.00 N ATOM 312 CA GLU A 22 -0.036 -5.943 15.767 1.00 0.00 C ATOM 313 C GLU A 22 0.034 -6.510 14.352 1.00 0.00 C ATOM 314 O GLU A 22 -0.645 -6.030 13.445 1.00 0.00 O ATOM 315 CB GLU A 22 -1.342 -6.374 16.437 1.00 0.00 C ATOM 316 CG GLU A 22 -2.574 -5.692 15.865 1.00 0.00 C ATOM 317 CD GLU A 22 -3.866 -6.309 16.362 1.00 0.00 C ATOM 318 OE1 GLU A 22 -4.273 -7.356 15.817 1.00 0.00 O ATOM 319 OE2 GLU A 22 -4.470 -5.745 17.298 1.00 0.00 O ATOM 0 H GLU A 22 -0.771 -4.007 15.432 1.00 0.00 H new ATOM 0 HA GLU A 22 0.804 -6.336 16.339 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.454 -7.453 16.334 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.281 -6.160 17.504 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.555 -4.635 16.130 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.544 -5.749 14.777 1.00 0.00 H new ATOM 326 N GLY A 23 0.862 -7.535 14.171 1.00 0.00 N ATOM 327 CA GLY A 23 1.006 -8.150 12.865 1.00 0.00 C ATOM 328 C GLY A 23 1.562 -7.192 11.831 1.00 0.00 C ATOM 329 O GLY A 23 1.791 -6.018 12.122 1.00 0.00 O ATOM 0 H GLY A 23 1.435 -7.950 14.906 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.664 -9.015 12.945 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.036 -8.517 12.531 1.00 0.00 H new ATOM 333 N ASP A 24 1.783 -7.693 10.621 1.00 0.00 N ATOM 334 CA ASP A 24 2.316 -6.873 9.539 1.00 0.00 C ATOM 335 C ASP A 24 1.216 -6.030 8.903 1.00 0.00 C ATOM 336 O ASP A 24 0.076 -6.475 8.774 1.00 0.00 O ATOM 337 CB ASP A 24 2.976 -7.756 8.479 1.00 0.00 C ATOM 338 CG ASP A 24 4.304 -8.323 8.942 1.00 0.00 C ATOM 339 OD1 ASP A 24 5.336 -7.645 8.753 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.312 -9.444 9.493 1.00 0.00 O ATOM 0 H ASP A 24 1.601 -8.663 10.364 1.00 0.00 H new ATOM 0 HA ASP A 24 3.065 -6.202 9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.304 -8.575 8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.130 -7.174 7.570 1.00 0.00 H new ATOM 345 N TRP A 25 1.566 -4.811 8.509 1.00 0.00 N ATOM 346 CA TRP A 25 0.607 -3.904 7.887 1.00 0.00 C ATOM 347 C TRP A 25 1.295 -2.996 6.874 1.00 0.00 C ATOM 348 O TRP A 25 2.220 -2.259 7.215 1.00 0.00 O ATOM 349 CB TRP A 25 -0.094 -3.061 8.953 1.00 0.00 C ATOM 350 CG TRP A 25 -1.180 -3.799 9.675 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.024 -4.717 10.674 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.590 -3.682 9.451 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.251 -5.178 11.085 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.228 -4.558 10.351 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.375 -2.922 8.580 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.613 -4.694 10.402 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.749 -3.058 8.632 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.357 -3.937 9.537 1.00 0.00 C ATOM 0 H TRP A 25 2.506 -4.428 8.609 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.136 -4.505 7.362 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.644 -2.716 9.677 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.518 -2.174 8.483 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.075 -5.034 11.081 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.409 -5.870 11.818 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.916 -2.241 7.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.083 -5.372 11.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.365 -2.476 7.963 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.434 -4.019 9.553 1.00 0.00 H new ATOM 369 N MET A 26 0.838 -3.054 5.627 1.00 0.00 N ATOM 370 CA MET A 26 1.410 -2.234 4.565 1.00 0.00 C ATOM 371 C MET A 26 0.523 -1.029 4.271 1.00 0.00 C ATOM 372 O MET A 26 -0.572 -1.171 3.726 1.00 0.00 O ATOM 373 CB MET A 26 1.597 -3.066 3.295 1.00 0.00 C ATOM 374 CG MET A 26 2.854 -3.921 3.308 1.00 0.00 C ATOM 375 SD MET A 26 4.364 -2.936 3.332 1.00 0.00 S ATOM 376 CE MET A 26 4.637 -2.692 1.579 1.00 0.00 C ATOM 0 H MET A 26 0.074 -3.660 5.327 1.00 0.00 H new ATOM 0 HA MET A 26 2.382 -1.873 4.902 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.729 -3.712 3.163 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.631 -2.398 2.434 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.836 -4.573 4.181 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.859 -4.566 2.429 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.539 -2.098 1.430 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.756 -3.659 1.091 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.783 -2.170 1.147 1.00 0.00 H new ATOM 386 N ILE A 27 1.002 0.156 4.636 1.00 0.00 N ATOM 387 CA ILE A 27 0.252 1.385 4.410 1.00 0.00 C ATOM 388 C ILE A 27 0.841 2.184 3.252 1.00 0.00 C ATOM 389 O ILE A 27 2.024 2.058 2.938 1.00 0.00 O ATOM 390 CB ILE A 27 0.228 2.270 5.670 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.217 1.453 6.885 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.691 3.464 5.462 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.135 2.097 8.208 1.00 0.00 C ATOM 0 H ILE A 27 1.906 0.290 5.089 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.768 1.091 4.163 1.00 0.00 H new ATOM 0 HB ILE A 27 1.236 2.641 5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.296 1.305 6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.243 0.466 6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.697 4.080 6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.333 4.056 4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.702 3.113 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.210 1.463 9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.216 2.220 8.277 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.346 3.072 8.277 1.00 0.00 H new ATOM 405 N GLU A 28 0.008 3.007 2.624 1.00 0.00 N ATOM 406 CA GLU A 28 0.448 3.827 1.501 1.00 0.00 C ATOM 407 C GLU A 28 -0.280 5.169 1.490 1.00 0.00 C ATOM 408 O GLU A 28 -1.454 5.248 1.128 1.00 0.00 O ATOM 409 CB GLU A 28 0.208 3.094 0.180 1.00 0.00 C ATOM 410 CG GLU A 28 -1.194 2.525 0.045 1.00 0.00 C ATOM 411 CD GLU A 28 -1.651 2.434 -1.398 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.781 2.362 -2.291 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.877 2.435 -1.634 1.00 0.00 O ATOM 0 H GLU A 28 -0.974 3.124 2.873 1.00 0.00 H new ATOM 0 HA GLU A 28 1.516 4.012 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.393 3.781 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.930 2.283 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.224 1.533 0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.891 3.150 0.604 1.00 0.00 H new ATOM 420 N PHE A 29 0.427 6.221 1.890 1.00 0.00 N ATOM 421 CA PHE A 29 -0.151 7.560 1.928 1.00 0.00 C ATOM 422 C PHE A 29 -0.191 8.175 0.532 1.00 0.00 C ATOM 423 O PHE A 29 0.844 8.529 -0.032 1.00 0.00 O ATOM 424 CB PHE A 29 0.652 8.458 2.870 1.00 0.00 C ATOM 425 CG PHE A 29 0.477 8.114 4.322 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.090 6.994 4.860 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.300 8.910 5.147 1.00 0.00 C ATOM 428 CE1 PHE A 29 0.931 6.674 6.195 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.462 8.595 6.484 1.00 0.00 C ATOM 430 CZ PHE A 29 0.153 7.475 7.008 1.00 0.00 C ATOM 0 H PHE A 29 1.400 6.173 2.192 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.173 7.477 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.709 8.387 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.354 9.495 2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.699 6.364 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.785 9.786 4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.415 5.798 6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.069 9.224 7.118 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.026 7.226 8.051 1.00 0.00 H new ATOM 440 N TYR A 30 -1.394 8.297 -0.019 1.00 0.00 N ATOM 441 CA TYR A 30 -1.570 8.866 -1.350 1.00 0.00 C ATOM 442 C TYR A 30 -2.457 10.106 -1.299 1.00 0.00 C ATOM 443 O TYR A 30 -2.956 10.483 -0.239 1.00 0.00 O ATOM 444 CB TYR A 30 -2.179 7.828 -2.294 1.00 0.00 C ATOM 445 CG TYR A 30 -3.670 7.648 -2.117 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.571 8.528 -2.704 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.177 6.598 -1.361 1.00 0.00 C ATOM 448 CE1 TYR A 30 -5.933 8.367 -2.544 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.538 6.429 -1.197 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.412 7.317 -1.789 1.00 0.00 C ATOM 451 OH TYR A 30 -7.769 7.153 -1.628 1.00 0.00 O ATOM 0 H TYR A 30 -2.261 8.010 0.435 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.589 9.158 -1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.977 8.123 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.685 6.870 -2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.200 9.352 -3.295 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.495 5.902 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.620 9.060 -3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.916 5.606 -0.608 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.939 6.366 -1.070 1.00 0.00 H new ATOM 461 N ALA A 31 -2.649 10.736 -2.454 1.00 0.00 N ATOM 462 CA ALA A 31 -3.478 11.932 -2.543 1.00 0.00 C ATOM 463 C ALA A 31 -4.250 11.968 -3.857 1.00 0.00 C ATOM 464 O ALA A 31 -3.724 11.647 -4.923 1.00 0.00 O ATOM 465 CB ALA A 31 -2.620 13.180 -2.399 1.00 0.00 C ATOM 0 H ALA A 31 -2.242 10.438 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.201 11.905 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.252 14.066 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.117 13.166 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.875 13.203 -3.195 1.00 0.00 H new ATOM 471 N PRO A 32 -5.529 12.366 -3.783 1.00 0.00 N ATOM 472 CA PRO A 32 -6.401 12.453 -4.958 1.00 0.00 C ATOM 473 C PRO A 32 -6.000 13.587 -5.895 1.00 0.00 C ATOM 474 O PRO A 32 -6.373 13.597 -7.068 1.00 0.00 O ATOM 475 CB PRO A 32 -7.782 12.720 -4.355 1.00 0.00 C ATOM 476 CG PRO A 32 -7.504 13.369 -3.043 1.00 0.00 C ATOM 477 CD PRO A 32 -6.221 12.763 -2.545 1.00 0.00 C ATOM 0 HA PRO A 32 -6.354 11.551 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.377 13.368 -4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.344 11.795 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.408 14.449 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.318 13.192 -2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.635 13.479 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.406 11.907 -1.896 1.00 0.00 H new ATOM 485 N TRP A 33 -5.237 14.540 -5.370 1.00 0.00 N ATOM 486 CA TRP A 33 -4.785 15.679 -6.161 1.00 0.00 C ATOM 487 C TRP A 33 -3.311 15.538 -6.525 1.00 0.00 C ATOM 488 O TRP A 33 -2.617 16.534 -6.734 1.00 0.00 O ATOM 489 CB TRP A 33 -5.012 16.982 -5.393 1.00 0.00 C ATOM 490 CG TRP A 33 -4.892 16.824 -3.907 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.884 16.985 -2.983 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.712 16.475 -3.175 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.392 16.758 -1.720 1.00 0.00 N ATOM 494 CE2 TRP A 33 -4.062 16.443 -1.811 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.394 16.185 -3.539 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.141 16.133 -0.814 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.481 15.879 -2.548 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.858 15.854 -1.199 1.00 0.00 C ATOM 0 H TRP A 33 -4.919 14.546 -4.401 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.366 15.704 -7.083 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.290 17.725 -5.732 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -6.003 17.368 -5.631 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.905 17.252 -3.211 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.930 16.815 -0.855 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.095 16.200 -4.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.429 16.113 0.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.459 15.655 -2.818 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.121 15.610 -0.448 1.00 0.00 H new ATOM 509 N CYS A 34 -2.840 14.299 -6.598 1.00 0.00 N ATOM 510 CA CYS A 34 -1.447 14.029 -6.936 1.00 0.00 C ATOM 511 C CYS A 34 -1.350 13.045 -8.098 1.00 0.00 C ATOM 512 O CYS A 34 -2.027 12.018 -8.132 1.00 0.00 O ATOM 513 CB CYS A 34 -0.703 13.476 -5.720 1.00 0.00 C ATOM 514 SG CYS A 34 1.052 13.155 -6.011 1.00 0.00 S ATOM 0 H CYS A 34 -3.402 13.465 -6.428 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.984 14.968 -7.239 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.800 14.183 -4.896 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.183 12.550 -5.404 1.00 0.00 H new ATOM 0 HG CYS A 34 1.594 12.692 -4.924 1.00 0.00 H new ATOM 520 N PRO A 35 -0.488 13.366 -9.074 1.00 0.00 N ATOM 521 CA PRO A 35 -0.282 12.523 -10.256 1.00 0.00 C ATOM 522 C PRO A 35 0.431 11.218 -9.921 1.00 0.00 C ATOM 523 O PRO A 35 -0.029 10.137 -10.287 1.00 0.00 O ATOM 524 CB PRO A 35 0.592 13.393 -11.164 1.00 0.00 C ATOM 525 CG PRO A 35 1.304 14.313 -10.234 1.00 0.00 C ATOM 526 CD PRO A 35 0.353 14.574 -9.100 1.00 0.00 C ATOM 0 HA PRO A 35 -1.226 12.222 -10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.294 12.787 -11.737 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.012 13.946 -11.883 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.229 13.863 -9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.576 15.241 -10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.881 14.716 -8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.240 15.472 -9.272 1.00 0.00 H new ATOM 534 N ALA A 36 1.556 11.326 -9.223 1.00 0.00 N ATOM 535 CA ALA A 36 2.332 10.154 -8.837 1.00 0.00 C ATOM 536 C ALA A 36 1.424 9.041 -8.324 1.00 0.00 C ATOM 537 O ALA A 36 1.645 7.864 -8.614 1.00 0.00 O ATOM 538 CB ALA A 36 3.361 10.527 -7.781 1.00 0.00 C ATOM 0 H ALA A 36 1.951 12.214 -8.913 1.00 0.00 H new ATOM 0 HA ALA A 36 2.853 9.785 -9.721 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.933 9.642 -7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.035 11.284 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.853 10.923 -6.902 1.00 0.00 H new ATOM 544 N CYS A 37 0.405 9.419 -7.561 1.00 0.00 N ATOM 545 CA CYS A 37 -0.535 8.451 -7.006 1.00 0.00 C ATOM 546 C CYS A 37 -1.319 7.757 -8.115 1.00 0.00 C ATOM 547 O CYS A 37 -1.333 6.530 -8.203 1.00 0.00 O ATOM 548 CB CYS A 37 -1.498 9.142 -6.039 1.00 0.00 C ATOM 549 SG CYS A 37 -3.142 8.391 -5.973 1.00 0.00 S ATOM 0 H CYS A 37 0.208 10.388 -7.312 1.00 0.00 H new ATOM 0 HA CYS A 37 0.035 7.697 -6.463 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.064 9.129 -5.039 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.599 10.188 -6.329 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.571 8.393 -4.746 1.00 0.00 H new ATOM 555 N GLN A 38 -1.971 8.552 -8.958 1.00 0.00 N ATOM 556 CA GLN A 38 -2.759 8.013 -10.060 1.00 0.00 C ATOM 557 C GLN A 38 -2.035 6.850 -10.729 1.00 0.00 C ATOM 558 O GLN A 38 -2.665 5.949 -11.282 1.00 0.00 O ATOM 559 CB GLN A 38 -3.051 9.107 -11.089 1.00 0.00 C ATOM 560 CG GLN A 38 -3.899 10.245 -10.543 1.00 0.00 C ATOM 561 CD GLN A 38 -3.596 11.571 -11.212 1.00 0.00 C ATOM 562 OE1 GLN A 38 -3.070 11.613 -12.324 1.00 0.00 O ATOM 563 NE2 GLN A 38 -3.928 12.665 -10.535 1.00 0.00 N ATOM 0 H GLN A 38 -1.969 9.570 -8.899 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.701 7.645 -9.654 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.107 9.511 -11.455 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.561 8.663 -11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.953 10.006 -10.680 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.730 10.337 -9.470 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.362 12.584 -9.616 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.749 13.586 -10.935 1.00 0.00 H new ATOM 572 N ASN A 39 -0.707 6.876 -10.676 1.00 0.00 N ATOM 573 CA ASN A 39 0.103 5.824 -11.279 1.00 0.00 C ATOM 574 C ASN A 39 0.215 4.622 -10.345 1.00 0.00 C ATOM 575 O ASN A 39 0.257 3.476 -10.793 1.00 0.00 O ATOM 576 CB ASN A 39 1.498 6.355 -11.615 1.00 0.00 C ATOM 577 CG ASN A 39 1.560 6.985 -12.993 1.00 0.00 C ATOM 578 OD1 ASN A 39 0.923 6.511 -13.934 1.00 0.00 O ATOM 579 ND2 ASN A 39 2.330 8.060 -13.117 1.00 0.00 N ATOM 0 H ASN A 39 -0.169 7.614 -10.222 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.387 5.503 -12.198 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.793 7.092 -10.868 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.218 5.538 -11.559 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.411 8.528 -14.020 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.840 8.418 -12.309 1.00 0.00 H new ATOM 586 N LEU A 40 0.264 4.893 -9.045 1.00 0.00 N ATOM 587 CA LEU A 40 0.371 3.834 -8.047 1.00 0.00 C ATOM 588 C LEU A 40 -0.975 3.148 -7.834 1.00 0.00 C ATOM 589 O LEU A 40 -1.033 1.961 -7.517 1.00 0.00 O ATOM 590 CB LEU A 40 0.880 4.405 -6.722 1.00 0.00 C ATOM 591 CG LEU A 40 1.124 3.391 -5.604 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.256 2.446 -5.978 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.431 4.104 -4.295 1.00 0.00 C ATOM 0 H LEU A 40 0.231 5.836 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 40 1.081 3.093 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.812 4.937 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.160 5.142 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 40 0.217 2.802 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.415 1.731 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.996 1.910 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.169 3.019 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.602 3.367 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.323 4.719 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.588 4.738 -4.020 1.00 0.00 H new ATOM 605 N GLN A 41 -2.054 3.904 -8.013 1.00 0.00 N ATOM 606 CA GLN A 41 -3.399 3.368 -7.842 1.00 0.00 C ATOM 607 C GLN A 41 -3.466 1.913 -8.294 1.00 0.00 C ATOM 608 O GLN A 41 -3.863 1.022 -7.543 1.00 0.00 O ATOM 609 CB GLN A 41 -4.408 4.207 -8.628 1.00 0.00 C ATOM 610 CG GLN A 41 -4.967 5.381 -7.841 1.00 0.00 C ATOM 611 CD GLN A 41 -5.411 4.990 -6.445 1.00 0.00 C ATOM 612 OE1 GLN A 41 -6.575 4.656 -6.222 1.00 0.00 O ATOM 613 NE2 GLN A 41 -4.483 5.030 -5.496 1.00 0.00 N ATOM 0 H GLN A 41 -2.023 4.889 -8.276 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.649 3.411 -6.782 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.930 4.582 -9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.232 3.567 -8.944 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.209 6.161 -7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.813 5.806 -8.381 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.530 5.313 -5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.723 4.778 -4.537 1.00 0.00 H new ATOM 622 N PRO A 42 -3.071 1.665 -9.552 1.00 0.00 N ATOM 623 CA PRO A 42 -3.077 0.319 -10.132 1.00 0.00 C ATOM 624 C PRO A 42 -2.014 -0.584 -9.515 1.00 0.00 C ATOM 625 O PRO A 42 -2.290 -1.730 -9.163 1.00 0.00 O ATOM 626 CB PRO A 42 -2.773 0.569 -11.611 1.00 0.00 C ATOM 627 CG PRO A 42 -2.026 1.858 -11.632 1.00 0.00 C ATOM 628 CD PRO A 42 -2.586 2.679 -10.503 1.00 0.00 C ATOM 0 HA PRO A 42 -4.022 -0.195 -9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.178 -0.240 -12.035 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.689 0.633 -12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.957 1.692 -11.501 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.154 2.368 -12.587 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.825 3.318 -10.055 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.392 3.331 -10.841 1.00 0.00 H new ATOM 636 N GLU A 43 -0.800 -0.058 -9.388 1.00 0.00 N ATOM 637 CA GLU A 43 0.304 -0.818 -8.813 1.00 0.00 C ATOM 638 C GLU A 43 -0.091 -1.418 -7.467 1.00 0.00 C ATOM 639 O GLU A 43 0.240 -2.565 -7.165 1.00 0.00 O ATOM 640 CB GLU A 43 1.535 0.075 -8.645 1.00 0.00 C ATOM 641 CG GLU A 43 2.437 0.106 -9.867 1.00 0.00 C ATOM 642 CD GLU A 43 1.836 0.891 -11.016 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.898 0.377 -11.661 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.305 2.021 -11.271 1.00 0.00 O ATOM 0 H GLU A 43 -0.556 0.890 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 43 0.546 -1.632 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.209 1.090 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.111 -0.273 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.397 0.545 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.635 -0.915 -10.194 1.00 0.00 H new ATOM 651 N TRP A 44 -0.800 -0.635 -6.663 1.00 0.00 N ATOM 652 CA TRP A 44 -1.240 -1.088 -5.348 1.00 0.00 C ATOM 653 C TRP A 44 -2.234 -2.237 -5.473 1.00 0.00 C ATOM 654 O TRP A 44 -1.995 -3.332 -4.965 1.00 0.00 O ATOM 655 CB TRP A 44 -1.873 0.069 -4.573 1.00 0.00 C ATOM 656 CG TRP A 44 -1.760 -0.080 -3.086 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.782 -0.059 -2.180 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.557 -0.270 -2.333 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.286 -0.225 -0.909 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.924 -0.357 -0.976 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.794 -0.377 -2.673 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.012 -0.545 0.038 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.722 -0.563 -1.666 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.327 -0.646 -0.324 1.00 0.00 C ATOM 0 H TRP A 44 -1.083 0.316 -6.898 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.367 -1.446 -4.803 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.397 1.002 -4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.926 0.146 -4.844 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.826 0.069 -2.426 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.842 -0.246 -0.054 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.108 -0.315 -3.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.290 -0.609 1.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.769 -0.646 -1.917 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.076 -0.793 0.440 1.00 0.00 H new ATOM 675 N GLU A 45 -3.347 -1.980 -6.151 1.00 0.00 N ATOM 676 CA GLU A 45 -4.377 -2.995 -6.341 1.00 0.00 C ATOM 677 C GLU A 45 -3.755 -4.337 -6.719 1.00 0.00 C ATOM 678 O GLU A 45 -4.068 -5.368 -6.124 1.00 0.00 O ATOM 679 CB GLU A 45 -5.365 -2.555 -7.423 1.00 0.00 C ATOM 680 CG GLU A 45 -6.444 -1.614 -6.916 1.00 0.00 C ATOM 681 CD GLU A 45 -7.599 -1.472 -7.888 1.00 0.00 C ATOM 682 OE1 GLU A 45 -8.145 -2.510 -8.318 1.00 0.00 O ATOM 683 OE2 GLU A 45 -7.958 -0.322 -8.219 1.00 0.00 O ATOM 0 H GLU A 45 -3.559 -1.078 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.912 -3.114 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.816 -2.065 -8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.838 -3.438 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.821 -1.980 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.007 -0.633 -6.731 1.00 0.00 H new ATOM 690 N SER A 46 -2.874 -4.314 -7.714 1.00 0.00 N ATOM 691 CA SER A 46 -2.211 -5.528 -8.176 1.00 0.00 C ATOM 692 C SER A 46 -1.397 -6.164 -7.052 1.00 0.00 C ATOM 693 O SER A 46 -1.278 -7.386 -6.971 1.00 0.00 O ATOM 694 CB SER A 46 -1.302 -5.217 -9.366 1.00 0.00 C ATOM 695 OG SER A 46 -2.061 -4.880 -10.514 1.00 0.00 O ATOM 0 H SER A 46 -2.603 -3.468 -8.216 1.00 0.00 H new ATOM 0 HA SER A 46 -2.979 -6.235 -8.490 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.635 -4.393 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.673 -6.081 -9.583 1.00 0.00 H new ATOM 0 HG SER A 46 -1.456 -4.684 -11.260 1.00 0.00 H new ATOM 701 N PHE A 47 -0.839 -5.324 -6.186 1.00 0.00 N ATOM 702 CA PHE A 47 -0.036 -5.802 -5.067 1.00 0.00 C ATOM 703 C PHE A 47 -0.910 -6.501 -4.030 1.00 0.00 C ATOM 704 O PHE A 47 -0.703 -7.673 -3.716 1.00 0.00 O ATOM 705 CB PHE A 47 0.716 -4.638 -4.417 1.00 0.00 C ATOM 706 CG PHE A 47 1.041 -4.869 -2.969 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.309 -6.145 -2.500 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.078 -3.810 -2.077 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.609 -6.360 -1.168 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.377 -4.019 -0.744 1.00 0.00 C ATOM 711 CZ PHE A 47 1.642 -5.296 -0.289 1.00 0.00 C ATOM 0 H PHE A 47 -0.928 -4.309 -6.238 1.00 0.00 H new ATOM 0 HA PHE A 47 0.686 -6.522 -5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.641 -4.462 -4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.116 -3.733 -4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.283 -6.981 -3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.871 -2.810 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.817 -7.359 -0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.403 -3.185 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.875 -5.462 0.753 1.00 0.00 H new ATOM 721 N ALA A 48 -1.886 -5.772 -3.500 1.00 0.00 N ATOM 722 CA ALA A 48 -2.793 -6.321 -2.499 1.00 0.00 C ATOM 723 C ALA A 48 -3.311 -7.692 -2.920 1.00 0.00 C ATOM 724 O ALA A 48 -3.785 -8.467 -2.091 1.00 0.00 O ATOM 725 CB ALA A 48 -3.953 -5.367 -2.258 1.00 0.00 C ATOM 0 H ALA A 48 -2.069 -4.799 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.238 -6.442 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.622 -5.790 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.570 -4.410 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.500 -5.217 -3.189 1.00 0.00 H new ATOM 731 N GLU A 49 -3.217 -7.982 -4.214 1.00 0.00 N ATOM 732 CA GLU A 49 -3.679 -9.260 -4.745 1.00 0.00 C ATOM 733 C GLU A 49 -2.981 -10.423 -4.046 1.00 0.00 C ATOM 734 O GLU A 49 -3.627 -11.261 -3.417 1.00 0.00 O ATOM 735 CB GLU A 49 -3.428 -9.332 -6.253 1.00 0.00 C ATOM 736 CG GLU A 49 -4.163 -8.262 -7.043 1.00 0.00 C ATOM 737 CD GLU A 49 -4.302 -8.614 -8.512 1.00 0.00 C ATOM 738 OE1 GLU A 49 -3.266 -8.877 -9.158 1.00 0.00 O ATOM 739 OE2 GLU A 49 -5.445 -8.627 -9.014 1.00 0.00 O ATOM 0 H GLU A 49 -2.826 -7.351 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.750 -9.336 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.358 -9.239 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.731 -10.314 -6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.154 -8.114 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.630 -7.316 -6.949 1.00 0.00 H new ATOM 746 N TRP A 50 -1.658 -10.467 -4.162 1.00 0.00 N ATOM 747 CA TRP A 50 -0.872 -11.528 -3.543 1.00 0.00 C ATOM 748 C TRP A 50 -0.508 -11.168 -2.107 1.00 0.00 C ATOM 749 O TRP A 50 -0.139 -12.033 -1.314 1.00 0.00 O ATOM 750 CB TRP A 50 0.398 -11.789 -4.354 1.00 0.00 C ATOM 751 CG TRP A 50 1.157 -10.540 -4.688 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.210 -9.914 -5.901 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.972 -9.768 -3.799 1.00 0.00 C ATOM 754 NE1 TRP A 50 2.009 -8.799 -5.819 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.487 -8.687 -4.540 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.314 -9.884 -2.449 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.327 -7.731 -3.975 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.147 -8.935 -1.890 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.646 -7.869 -2.651 1.00 0.00 C ATOM 0 H TRP A 50 -1.108 -9.781 -4.679 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.478 -12.434 -3.528 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.047 -12.461 -3.793 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.131 -12.302 -5.278 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.699 -10.246 -6.793 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.213 -8.159 -6.586 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.934 -10.701 -1.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.713 -6.910 -4.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.419 -9.016 -0.848 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.295 -7.143 -2.184 1.00 0.00 H new ATOM 770 N GLY A 51 -0.614 -9.884 -1.778 1.00 0.00 N ATOM 771 CA GLY A 51 -0.293 -9.432 -0.437 1.00 0.00 C ATOM 772 C GLY A 51 -0.747 -10.410 0.629 1.00 0.00 C ATOM 773 O GLY A 51 0.070 -11.108 1.228 1.00 0.00 O ATOM 0 H GLY A 51 -0.917 -9.149 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.784 -9.284 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.762 -8.464 -0.261 1.00 0.00 H new ATOM 777 N GLU A 52 -2.054 -10.460 0.866 1.00 0.00 N ATOM 778 CA GLU A 52 -2.614 -11.358 1.869 1.00 0.00 C ATOM 779 C GLU A 52 -2.058 -12.770 1.706 1.00 0.00 C ATOM 780 O GLU A 52 -1.885 -13.497 2.685 1.00 0.00 O ATOM 781 CB GLU A 52 -4.141 -11.385 1.766 1.00 0.00 C ATOM 782 CG GLU A 52 -4.656 -12.150 0.558 1.00 0.00 C ATOM 783 CD GLU A 52 -4.847 -13.628 0.842 1.00 0.00 C ATOM 784 OE1 GLU A 52 -5.193 -13.972 1.991 1.00 0.00 O ATOM 785 OE2 GLU A 52 -4.650 -14.440 -0.086 1.00 0.00 O ATOM 0 H GLU A 52 -2.744 -9.890 0.378 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.330 -10.985 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.550 -11.834 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.512 -10.361 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.605 -11.720 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.956 -12.030 -0.269 1.00 0.00 H new ATOM 792 N ASP A 53 -1.779 -13.150 0.464 1.00 0.00 N ATOM 793 CA ASP A 53 -1.242 -14.474 0.172 1.00 0.00 C ATOM 794 C ASP A 53 0.048 -14.720 0.949 1.00 0.00 C ATOM 795 O ASP A 53 0.284 -15.821 1.448 1.00 0.00 O ATOM 796 CB ASP A 53 -0.985 -14.624 -1.328 1.00 0.00 C ATOM 797 CG ASP A 53 -1.148 -16.055 -1.803 1.00 0.00 C ATOM 798 OD1 ASP A 53 -0.379 -16.924 -1.342 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.045 -16.305 -2.634 1.00 0.00 O ATOM 0 H ASP A 53 -1.916 -12.560 -0.357 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.979 -15.215 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.673 -13.981 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.024 -14.281 -1.557 1.00 0.00 H new ATOM 804 N LEU A 54 0.880 -13.689 1.045 1.00 0.00 N ATOM 805 CA LEU A 54 2.148 -13.793 1.760 1.00 0.00 C ATOM 806 C LEU A 54 1.967 -13.468 3.239 1.00 0.00 C ATOM 807 O LEU A 54 2.916 -13.080 3.919 1.00 0.00 O ATOM 808 CB LEU A 54 3.183 -12.852 1.142 1.00 0.00 C ATOM 809 CG LEU A 54 3.317 -12.907 -0.380 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.135 -11.730 -0.888 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.947 -14.223 -0.813 1.00 0.00 C ATOM 0 H LEU A 54 0.700 -12.772 0.637 1.00 0.00 H new ATOM 0 HA LEU A 54 2.503 -14.820 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.932 -11.831 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.155 -13.076 1.580 1.00 0.00 H new ATOM 0 HG LEU A 54 2.320 -12.844 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.219 -11.787 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.643 -10.798 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.130 -11.760 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.035 -14.244 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.937 -14.316 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.321 -15.052 -0.483 1.00 0.00 H new ATOM 823 N GLU A 55 0.743 -13.632 3.730 1.00 0.00 N ATOM 824 CA GLU A 55 0.439 -13.357 5.130 1.00 0.00 C ATOM 825 C GLU A 55 0.777 -11.912 5.486 1.00 0.00 C ATOM 826 O GLU A 55 1.531 -11.652 6.424 1.00 0.00 O ATOM 827 CB GLU A 55 1.212 -14.313 6.040 1.00 0.00 C ATOM 828 CG GLU A 55 0.721 -14.315 7.478 1.00 0.00 C ATOM 829 CD GLU A 55 -0.621 -15.004 7.635 1.00 0.00 C ATOM 830 OE1 GLU A 55 -0.910 -15.928 6.847 1.00 0.00 O ATOM 831 OE2 GLU A 55 -1.382 -14.617 8.547 1.00 0.00 O ATOM 0 H GLU A 55 -0.054 -13.954 3.180 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.630 -13.509 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.138 -15.323 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.267 -14.041 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.457 -14.813 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.641 -13.287 7.832 1.00 0.00 H new ATOM 838 N VAL A 56 0.214 -10.975 4.730 1.00 0.00 N ATOM 839 CA VAL A 56 0.455 -9.556 4.965 1.00 0.00 C ATOM 840 C VAL A 56 -0.777 -8.726 4.624 1.00 0.00 C ATOM 841 O VAL A 56 -1.330 -8.837 3.531 1.00 0.00 O ATOM 842 CB VAL A 56 1.650 -9.045 4.139 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.183 -8.533 2.785 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.398 -7.960 4.899 1.00 0.00 C ATOM 0 H VAL A 56 -0.412 -11.173 3.950 1.00 0.00 H new ATOM 0 HA VAL A 56 0.682 -9.445 6.025 1.00 0.00 H new ATOM 0 HB VAL A 56 2.335 -9.876 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.041 -8.176 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.696 -9.341 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.477 -7.715 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.239 -7.611 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.725 -7.127 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.767 -8.364 5.842 1.00 0.00 H new ATOM 854 N ASN A 57 -1.202 -7.892 5.569 1.00 0.00 N ATOM 855 CA ASN A 57 -2.370 -7.042 5.368 1.00 0.00 C ATOM 856 C ASN A 57 -1.977 -5.725 4.705 1.00 0.00 C ATOM 857 O ASN A 57 -0.981 -5.104 5.078 1.00 0.00 O ATOM 858 CB ASN A 57 -3.061 -6.766 6.705 1.00 0.00 C ATOM 859 CG ASN A 57 -3.236 -8.023 7.535 1.00 0.00 C ATOM 860 OD1 ASN A 57 -4.053 -8.886 7.212 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.468 -8.132 8.613 1.00 0.00 N ATOM 0 H ASN A 57 -0.755 -7.787 6.480 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.062 -7.567 4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.477 -6.039 7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.037 -6.317 6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.542 -8.955 9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.804 -7.393 8.843 1.00 0.00 H new ATOM 868 N ILE A 58 -2.765 -5.306 3.721 1.00 0.00 N ATOM 869 CA ILE A 58 -2.501 -4.063 3.008 1.00 0.00 C ATOM 870 C ILE A 58 -3.602 -3.039 3.262 1.00 0.00 C ATOM 871 O ILE A 58 -4.776 -3.389 3.373 1.00 0.00 O ATOM 872 CB ILE A 58 -2.376 -4.300 1.491 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.236 -5.278 1.198 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.148 -2.982 0.766 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.648 -6.731 1.293 1.00 0.00 C ATOM 0 H ILE A 58 -3.592 -5.809 3.399 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.555 -3.677 3.387 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.307 -4.736 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.849 -5.083 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.421 -5.093 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.062 -3.166 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.989 -2.314 0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.230 -2.521 1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.791 -7.367 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.008 -6.942 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.443 -6.932 0.574 1.00 0.00 H new ATOM 887 N ALA A 59 -3.213 -1.771 3.351 1.00 0.00 N ATOM 888 CA ALA A 59 -4.167 -0.694 3.587 1.00 0.00 C ATOM 889 C ALA A 59 -3.718 0.596 2.910 1.00 0.00 C ATOM 890 O ALA A 59 -2.556 0.738 2.529 1.00 0.00 O ATOM 891 CB ALA A 59 -4.352 -0.472 5.081 1.00 0.00 C ATOM 0 H ALA A 59 -2.244 -1.465 3.263 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.123 -0.987 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.067 0.335 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.726 -1.386 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.395 -0.205 5.530 1.00 0.00 H new ATOM 897 N LYS A 60 -4.646 1.535 2.762 1.00 0.00 N ATOM 898 CA LYS A 60 -4.347 2.815 2.131 1.00 0.00 C ATOM 899 C LYS A 60 -4.896 3.972 2.960 1.00 0.00 C ATOM 900 O LYS A 60 -6.016 3.909 3.467 1.00 0.00 O ATOM 901 CB LYS A 60 -4.936 2.861 0.720 1.00 0.00 C ATOM 902 CG LYS A 60 -6.439 3.074 0.694 1.00 0.00 C ATOM 903 CD LYS A 60 -7.038 2.666 -0.641 1.00 0.00 C ATOM 904 CE LYS A 60 -8.551 2.537 -0.558 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.193 2.661 -1.896 1.00 0.00 N ATOM 0 H LYS A 60 -5.613 1.433 3.071 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.264 2.917 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.454 3.663 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.701 1.929 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.903 2.496 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.662 4.123 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.776 3.404 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.608 1.716 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.810 1.573 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.945 3.306 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.224 2.567 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.968 3.590 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.836 1.912 -2.523 1.00 0.00 H new ATOM 919 N VAL A 61 -4.100 5.028 3.094 1.00 0.00 N ATOM 920 CA VAL A 61 -4.507 6.201 3.859 1.00 0.00 C ATOM 921 C VAL A 61 -4.781 7.387 2.942 1.00 0.00 C ATOM 922 O VAL A 61 -4.127 7.554 1.913 1.00 0.00 O ATOM 923 CB VAL A 61 -3.433 6.599 4.889 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.748 7.961 5.489 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.320 5.542 5.977 1.00 0.00 C ATOM 0 H VAL A 61 -3.169 5.095 2.683 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.423 5.934 4.385 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.472 6.666 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.979 8.226 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.774 8.710 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.718 7.924 5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.557 5.840 6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.278 5.440 6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.044 4.587 5.529 1.00 0.00 H new ATOM 935 N ASP A 62 -5.753 8.210 3.323 1.00 0.00 N ATOM 936 CA ASP A 62 -6.114 9.383 2.536 1.00 0.00 C ATOM 937 C ASP A 62 -5.699 10.665 3.251 1.00 0.00 C ATOM 938 O ASP A 62 -6.112 10.919 4.382 1.00 0.00 O ATOM 939 CB ASP A 62 -7.619 9.399 2.265 1.00 0.00 C ATOM 940 CG ASP A 62 -7.964 10.077 0.954 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.066 10.202 0.096 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.134 10.482 0.786 1.00 0.00 O ATOM 0 H ASP A 62 -6.305 8.086 4.172 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.583 9.330 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.994 8.375 2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.127 9.913 3.081 1.00 0.00 H new ATOM 947 N VAL A 63 -4.879 11.471 2.583 1.00 0.00 N ATOM 948 CA VAL A 63 -4.408 12.727 3.154 1.00 0.00 C ATOM 949 C VAL A 63 -5.423 13.844 2.936 1.00 0.00 C ATOM 950 O VAL A 63 -5.066 15.021 2.885 1.00 0.00 O ATOM 951 CB VAL A 63 -3.058 13.149 2.545 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.984 12.120 2.861 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.191 13.349 1.042 1.00 0.00 C ATOM 0 H VAL A 63 -4.527 11.276 1.646 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.279 12.560 4.223 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.759 14.098 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.037 12.436 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.872 12.031 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.272 11.154 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.228 13.647 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.513 12.417 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.928 14.127 0.842 1.00 0.00 H new ATOM 963 N THR A 64 -6.692 13.467 2.810 1.00 0.00 N ATOM 964 CA THR A 64 -7.759 14.436 2.597 1.00 0.00 C ATOM 965 C THR A 64 -8.901 14.222 3.584 1.00 0.00 C ATOM 966 O THR A 64 -9.569 15.172 3.990 1.00 0.00 O ATOM 967 CB THR A 64 -8.314 14.356 1.163 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.905 13.071 0.937 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.212 14.599 0.142 1.00 0.00 C ATOM 0 H THR A 64 -7.005 12.497 2.852 1.00 0.00 H new ATOM 0 HA THR A 64 -7.325 15.423 2.756 1.00 0.00 H new ATOM 0 HB THR A 64 -9.073 15.130 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.257 13.029 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.628 14.538 -0.864 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.784 15.589 0.298 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.434 13.845 0.260 1.00 0.00 H new ATOM 977 N GLU A 65 -9.119 12.967 3.966 1.00 0.00 N ATOM 978 CA GLU A 65 -10.181 12.629 4.907 1.00 0.00 C ATOM 979 C GLU A 65 -9.631 12.495 6.324 1.00 0.00 C ATOM 980 O GLU A 65 -10.325 12.782 7.299 1.00 0.00 O ATOM 981 CB GLU A 65 -10.868 11.327 4.489 1.00 0.00 C ATOM 982 CG GLU A 65 -11.794 11.484 3.295 1.00 0.00 C ATOM 983 CD GLU A 65 -12.477 10.185 2.912 1.00 0.00 C ATOM 984 OE1 GLU A 65 -12.664 9.329 3.802 1.00 0.00 O ATOM 985 OE2 GLU A 65 -12.824 10.024 1.723 1.00 0.00 O ATOM 0 H GLU A 65 -8.575 12.169 3.639 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.912 13.437 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.106 10.584 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.439 10.940 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.551 12.235 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.223 11.855 2.444 1.00 0.00 H new ATOM 992 N GLN A 66 -8.381 12.056 6.428 1.00 0.00 N ATOM 993 CA GLN A 66 -7.739 11.883 7.725 1.00 0.00 C ATOM 994 C GLN A 66 -6.744 13.007 7.995 1.00 0.00 C ATOM 995 O GLN A 66 -5.579 12.947 7.602 1.00 0.00 O ATOM 996 CB GLN A 66 -7.026 10.530 7.788 1.00 0.00 C ATOM 997 CG GLN A 66 -7.971 9.341 7.717 1.00 0.00 C ATOM 998 CD GLN A 66 -9.047 9.387 8.784 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.847 9.949 9.860 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.198 8.793 8.489 1.00 0.00 N ATOM 0 H GLN A 66 -7.793 11.814 5.630 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.513 11.915 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.312 10.466 6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.453 10.473 8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.441 9.313 6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.398 8.420 7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.320 8.339 7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.960 8.791 9.168 1.00 0.00 H new ATOM 1009 N PRO A 67 -7.213 14.059 8.682 1.00 0.00 N ATOM 1010 CA PRO A 67 -6.381 15.218 9.021 1.00 0.00 C ATOM 1011 C PRO A 67 -5.320 14.885 10.064 1.00 0.00 C ATOM 1012 O PRO A 67 -4.312 15.581 10.182 1.00 0.00 O ATOM 1013 CB PRO A 67 -7.387 16.225 9.584 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.511 15.391 10.095 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.591 14.199 9.183 1.00 0.00 C ATOM 0 HA PRO A 67 -5.826 15.587 8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.945 16.824 10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.726 16.918 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.331 15.083 11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.446 15.951 10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.917 13.306 9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.299 14.362 8.371 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.553 13.816 10.818 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.608 13.409 11.842 1.00 0.00 C ATOM 1025 C GLY A 68 -3.457 12.599 11.279 1.00 0.00 C ATOM 1026 O GLY A 68 -2.291 12.957 11.454 1.00 0.00 O ATOM 0 H GLY A 68 -6.380 13.224 10.738 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.215 14.294 12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.127 12.820 12.598 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.782 11.503 10.602 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.766 10.638 10.012 1.00 0.00 C ATOM 1032 C LEU A 69 -1.851 11.428 9.082 1.00 0.00 C ATOM 1033 O LEU A 69 -0.652 11.163 9.003 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.427 9.493 9.243 1.00 0.00 C ATOM 1035 CG LEU A 69 -3.938 8.324 10.087 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -4.744 7.360 9.232 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -2.777 7.603 10.757 1.00 0.00 C ATOM 0 H LEU A 69 -4.741 11.192 10.448 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.163 10.225 10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.265 9.899 8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.710 9.106 8.519 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.591 8.720 10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.099 6.535 9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.597 7.883 8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.115 6.970 8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.159 6.774 11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.099 7.219 9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.241 8.298 11.403 1.00 0.00 H new ATOM 1049 N SER A 70 -2.425 12.401 8.382 1.00 0.00 N ATOM 1050 CA SER A 70 -1.662 13.230 7.456 1.00 0.00 C ATOM 1051 C SER A 70 -0.377 13.731 8.109 1.00 0.00 C ATOM 1052 O SER A 70 0.674 13.792 7.472 1.00 0.00 O ATOM 1053 CB SER A 70 -2.505 14.416 6.986 1.00 0.00 C ATOM 1054 OG SER A 70 -3.061 15.115 8.086 1.00 0.00 O ATOM 0 H SER A 70 -3.416 12.635 8.438 1.00 0.00 H new ATOM 0 HA SER A 70 -1.397 12.619 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.888 15.093 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.304 14.063 6.334 1.00 0.00 H new ATOM 0 HG SER A 70 -3.595 15.869 7.759 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.470 14.090 9.386 1.00 0.00 N ATOM 1061 CA GLY A 71 0.690 14.582 10.105 1.00 0.00 C ATOM 1062 C GLY A 71 1.051 13.709 11.290 1.00 0.00 C ATOM 1063 O GLY A 71 1.735 14.154 12.212 1.00 0.00 O ATOM 0 H GLY A 71 -1.329 14.049 9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.540 14.635 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.495 15.597 10.451 1.00 0.00 H new ATOM 1067 N ARG A 72 0.590 12.462 11.267 1.00 0.00 N ATOM 1068 CA ARG A 72 0.865 11.526 12.350 1.00 0.00 C ATOM 1069 C ARG A 72 2.044 10.622 11.999 1.00 0.00 C ATOM 1070 O ARG A 72 2.927 10.387 12.825 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.372 10.676 12.645 1.00 0.00 C ATOM 1072 CG ARG A 72 -0.482 10.245 14.099 1.00 0.00 C ATOM 1073 CD ARG A 72 -1.721 9.397 14.336 1.00 0.00 C ATOM 1074 NE ARG A 72 -2.906 10.214 14.581 1.00 0.00 N ATOM 1075 CZ ARG A 72 -3.229 10.702 15.773 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -2.459 10.457 16.824 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -4.324 11.438 15.916 1.00 0.00 N ATOM 0 H ARG A 72 0.025 12.077 10.510 1.00 0.00 H new ATOM 0 HA ARG A 72 1.121 12.102 13.239 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.264 11.241 12.374 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.352 9.789 12.012 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.406 9.680 14.380 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.515 11.126 14.739 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.894 8.758 13.470 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.552 8.739 15.188 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.520 10.421 13.793 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.616 9.892 16.718 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.709 10.833 17.738 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.919 11.629 15.110 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.571 11.812 16.832 1.00 0.00 H new ATOM 1091 N PHE A 73 2.051 10.117 10.770 1.00 0.00 N ATOM 1092 CA PHE A 73 3.119 9.237 10.311 1.00 0.00 C ATOM 1093 C PHE A 73 4.263 10.043 9.701 1.00 0.00 C ATOM 1094 O PHE A 73 4.874 9.626 8.717 1.00 0.00 O ATOM 1095 CB PHE A 73 2.581 8.238 9.285 1.00 0.00 C ATOM 1096 CG PHE A 73 1.991 7.003 9.904 1.00 0.00 C ATOM 1097 CD1 PHE A 73 0.664 6.977 10.300 1.00 0.00 C ATOM 1098 CD2 PHE A 73 2.764 5.868 10.089 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.119 5.842 10.871 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.225 4.730 10.659 1.00 0.00 C ATOM 1101 CZ PHE A 73 0.900 4.716 11.049 1.00 0.00 C ATOM 0 H PHE A 73 1.329 10.302 10.074 1.00 0.00 H new ATOM 0 HA PHE A 73 3.501 8.691 11.173 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.821 8.728 8.676 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.389 7.948 8.614 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.048 7.853 10.161 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.800 5.873 9.784 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.916 5.835 11.178 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.839 3.853 10.799 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.475 3.827 11.492 1.00 0.00 H new ATOM 1111 N ILE A 74 4.545 11.199 10.292 1.00 0.00 N ATOM 1112 CA ILE A 74 5.614 12.063 9.808 1.00 0.00 C ATOM 1113 C ILE A 74 5.698 12.034 8.285 1.00 0.00 C ATOM 1114 O ILE A 74 6.783 11.919 7.716 1.00 0.00 O ATOM 1115 CB ILE A 74 6.978 11.654 10.394 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.200 10.150 10.222 1.00 0.00 C ATOM 1117 CG2 ILE A 74 7.062 12.043 11.862 1.00 0.00 C ATOM 1118 CD1 ILE A 74 8.545 9.676 10.729 1.00 0.00 C ATOM 0 H ILE A 74 4.048 11.559 11.107 1.00 0.00 H new ATOM 0 HA ILE A 74 5.375 13.074 10.137 1.00 0.00 H new ATOM 0 HB ILE A 74 7.763 12.183 9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.412 9.612 10.749 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.109 9.896 9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.032 11.747 12.262 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.943 13.122 11.960 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.271 11.539 12.418 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.633 8.601 10.575 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.340 10.187 10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.632 9.899 11.792 1.00 0.00 H new ATOM 1130 N ILE A 75 4.545 12.140 7.633 1.00 0.00 N ATOM 1131 CA ILE A 75 4.489 12.128 6.176 1.00 0.00 C ATOM 1132 C ILE A 75 5.140 13.376 5.591 1.00 0.00 C ATOM 1133 O ILE A 75 4.531 14.444 5.547 1.00 0.00 O ATOM 1134 CB ILE A 75 3.037 12.034 5.670 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.358 10.783 6.230 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.007 12.024 4.149 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.129 9.508 5.968 1.00 0.00 C ATOM 0 H ILE A 75 3.638 12.235 8.090 1.00 0.00 H new ATOM 0 HA ILE A 75 5.038 11.246 5.846 1.00 0.00 H new ATOM 0 HB ILE A 75 2.488 12.909 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.224 10.903 7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.363 10.693 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.975 11.957 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.457 12.942 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.568 11.166 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.589 8.662 6.393 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.240 9.364 4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.114 9.577 6.429 1.00 0.00 H new ATOM 1149 N ASN A 76 6.383 13.233 5.140 1.00 0.00 N ATOM 1150 CA ASN A 76 7.117 14.349 4.556 1.00 0.00 C ATOM 1151 C ASN A 76 6.619 14.648 3.145 1.00 0.00 C ATOM 1152 O ASN A 76 6.421 15.806 2.778 1.00 0.00 O ATOM 1153 CB ASN A 76 8.615 14.040 4.525 1.00 0.00 C ATOM 1154 CG ASN A 76 9.202 13.885 5.915 1.00 0.00 C ATOM 1155 OD1 ASN A 76 9.673 12.810 6.286 1.00 0.00 O ATOM 1156 ND2 ASN A 76 9.176 14.962 6.692 1.00 0.00 N ATOM 0 H ASN A 76 6.902 12.355 5.168 1.00 0.00 H new ATOM 0 HA ASN A 76 6.947 15.229 5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.783 13.124 3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.137 14.840 4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.556 14.918 7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.776 15.833 6.343 1.00 0.00 H new ATOM 1163 N ALA A 77 6.419 13.596 2.358 1.00 0.00 N ATOM 1164 CA ALA A 77 5.942 13.745 0.989 1.00 0.00 C ATOM 1165 C ALA A 77 5.030 12.588 0.596 1.00 0.00 C ATOM 1166 O ALA A 77 4.809 11.664 1.380 1.00 0.00 O ATOM 1167 CB ALA A 77 7.118 13.843 0.028 1.00 0.00 C ATOM 0 H ALA A 77 6.580 12.631 2.646 1.00 0.00 H new ATOM 0 HA ALA A 77 5.362 14.666 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.747 13.954 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.729 14.707 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.721 12.938 0.098 1.00 0.00 H new ATOM 1173 N LEU A 78 4.502 12.644 -0.622 1.00 0.00 N ATOM 1174 CA LEU A 78 3.613 11.600 -1.119 1.00 0.00 C ATOM 1175 C LEU A 78 3.840 11.355 -2.607 1.00 0.00 C ATOM 1176 O LEU A 78 4.233 12.249 -3.356 1.00 0.00 O ATOM 1177 CB LEU A 78 2.153 11.986 -0.871 1.00 0.00 C ATOM 1178 CG LEU A 78 1.801 12.394 0.560 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.656 13.395 0.563 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.443 11.170 1.391 1.00 0.00 C ATOM 0 H LEU A 78 4.674 13.401 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 78 3.836 10.679 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.898 12.811 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.522 11.143 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 78 2.674 12.870 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.419 13.674 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.948 14.284 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.221 12.946 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.195 11.479 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.585 10.666 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.292 10.487 1.417 1.00 0.00 H new ATOM 1192 N PRO A 79 3.584 10.114 -3.048 1.00 0.00 N ATOM 1193 CA PRO A 79 3.116 9.041 -2.166 1.00 0.00 C ATOM 1194 C PRO A 79 4.195 8.579 -1.192 1.00 0.00 C ATOM 1195 O PRO A 79 5.362 8.950 -1.320 1.00 0.00 O ATOM 1196 CB PRO A 79 2.755 7.915 -3.138 1.00 0.00 C ATOM 1197 CG PRO A 79 3.595 8.169 -4.341 1.00 0.00 C ATOM 1198 CD PRO A 79 3.734 9.663 -4.442 1.00 0.00 C ATOM 0 HA PRO A 79 2.285 9.363 -1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.967 6.937 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.694 7.931 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.570 7.692 -4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.128 7.759 -5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.701 9.950 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 79 2.970 10.095 -5.089 1.00 0.00 H new ATOM 1206 N THR A 80 3.798 7.765 -0.218 1.00 0.00 N ATOM 1207 CA THR A 80 4.730 7.252 0.777 1.00 0.00 C ATOM 1208 C THR A 80 4.182 6.000 1.451 1.00 0.00 C ATOM 1209 O THR A 80 3.145 6.044 2.113 1.00 0.00 O ATOM 1210 CB THR A 80 5.038 8.309 1.855 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.749 9.408 1.276 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.859 7.706 2.985 1.00 0.00 C ATOM 0 H THR A 80 2.836 7.447 -0.098 1.00 0.00 H new ATOM 0 HA THR A 80 5.650 7.003 0.249 1.00 0.00 H new ATOM 0 HB THR A 80 4.092 8.665 2.264 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.119 10.125 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.064 8.471 3.734 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.302 6.889 3.444 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.800 7.325 2.588 1.00 0.00 H new ATOM 1220 N ILE A 81 4.885 4.885 1.278 1.00 0.00 N ATOM 1221 CA ILE A 81 4.468 3.621 1.872 1.00 0.00 C ATOM 1222 C ILE A 81 5.230 3.342 3.163 1.00 0.00 C ATOM 1223 O ILE A 81 6.439 3.561 3.243 1.00 0.00 O ATOM 1224 CB ILE A 81 4.681 2.445 0.900 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.909 2.684 -0.400 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.248 1.138 1.547 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.479 1.939 -1.586 1.00 0.00 C ATOM 0 H ILE A 81 5.745 4.832 0.732 1.00 0.00 H new ATOM 0 HA ILE A 81 3.404 3.712 2.093 1.00 0.00 H new ATOM 0 HB ILE A 81 5.743 2.376 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.871 2.384 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.905 3.752 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.405 0.317 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.837 0.965 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.192 1.194 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.882 2.155 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.508 2.257 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.458 0.868 -1.387 1.00 0.00 H new ATOM 1239 N TYR A 82 4.515 2.857 4.172 1.00 0.00 N ATOM 1240 CA TYR A 82 5.123 2.548 5.461 1.00 0.00 C ATOM 1241 C TYR A 82 4.903 1.085 5.831 1.00 0.00 C ATOM 1242 O TYR A 82 3.788 0.570 5.738 1.00 0.00 O ATOM 1243 CB TYR A 82 4.546 3.454 6.551 1.00 0.00 C ATOM 1244 CG TYR A 82 5.322 4.737 6.744 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.501 4.756 7.478 1.00 0.00 C ATOM 1246 CD2 TYR A 82 4.875 5.932 6.192 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.212 5.927 7.657 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.580 7.107 6.366 1.00 0.00 C ATOM 1249 CZ TYR A 82 6.748 7.099 7.099 1.00 0.00 C ATOM 1250 OH TYR A 82 7.454 8.267 7.275 1.00 0.00 O ATOM 0 H TYR A 82 3.514 2.669 4.122 1.00 0.00 H new ATOM 0 HA TYR A 82 6.195 2.726 5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.514 3.698 6.301 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.525 2.907 7.493 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.868 3.840 7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.961 5.942 5.617 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.127 5.924 8.231 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.219 8.027 5.930 1.00 0.00 H new ATOM 0 HH TYR A 82 6.992 9.000 6.817 1.00 0.00 H new ATOM 1260 N HIS A 83 5.974 0.419 6.251 1.00 0.00 N ATOM 1261 CA HIS A 83 5.899 -0.985 6.637 1.00 0.00 C ATOM 1262 C HIS A 83 5.860 -1.130 8.156 1.00 0.00 C ATOM 1263 O HIS A 83 6.810 -0.764 8.848 1.00 0.00 O ATOM 1264 CB HIS A 83 7.092 -1.756 6.070 1.00 0.00 C ATOM 1265 CG HIS A 83 7.151 -3.183 6.520 1.00 0.00 C ATOM 1266 ND1 HIS A 83 8.027 -3.632 7.486 1.00 0.00 N ATOM 1267 CD2 HIS A 83 6.434 -4.264 6.133 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.849 -4.928 7.671 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.887 -5.336 6.862 1.00 0.00 N ATOM 0 H HIS A 83 6.904 0.829 6.333 1.00 0.00 H new ATOM 0 HA HIS A 83 4.979 -1.400 6.226 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.048 -1.728 4.981 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.013 -1.252 6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.651 -4.280 5.389 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.396 -5.548 8.365 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.538 -6.292 6.791 1.00 0.00 H new ATOM 1278 N CYS A 84 4.756 -1.664 8.665 1.00 0.00 N ATOM 1279 CA CYS A 84 4.592 -1.856 10.102 1.00 0.00 C ATOM 1280 C CYS A 84 4.636 -3.338 10.462 1.00 0.00 C ATOM 1281 O CYS A 84 3.784 -4.117 10.035 1.00 0.00 O ATOM 1282 CB CYS A 84 3.272 -1.244 10.572 1.00 0.00 C ATOM 1283 SG CYS A 84 3.242 -0.810 12.327 1.00 0.00 S ATOM 0 H CYS A 84 3.961 -1.972 8.105 1.00 0.00 H new ATOM 0 HA CYS A 84 5.417 -1.354 10.607 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.069 -0.349 9.984 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.465 -1.948 10.369 1.00 0.00 H new ATOM 0 HG CYS A 84 3.588 0.435 12.472 1.00 0.00 H new ATOM 1289 N LYS A 85 5.636 -3.721 11.248 1.00 0.00 N ATOM 1290 CA LYS A 85 5.793 -5.109 11.666 1.00 0.00 C ATOM 1291 C LYS A 85 5.940 -5.208 13.181 1.00 0.00 C ATOM 1292 O LYS A 85 7.038 -5.066 13.718 1.00 0.00 O ATOM 1293 CB LYS A 85 7.011 -5.734 10.982 1.00 0.00 C ATOM 1294 CG LYS A 85 7.273 -7.170 11.401 1.00 0.00 C ATOM 1295 CD LYS A 85 8.289 -7.840 10.492 1.00 0.00 C ATOM 1296 CE LYS A 85 8.359 -9.338 10.742 1.00 0.00 C ATOM 1297 NZ LYS A 85 7.188 -10.053 10.162 1.00 0.00 N ATOM 0 H LYS A 85 6.351 -3.089 11.609 1.00 0.00 H new ATOM 0 HA LYS A 85 4.898 -5.655 11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.868 -5.700 9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.892 -5.132 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.635 -7.190 12.429 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.339 -7.732 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.024 -7.656 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.272 -7.397 10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.277 -9.736 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.404 -9.525 11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.991 -10.908 10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.356 -9.429 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.398 -10.322 9.180 1.00 0.00 H new ATOM 1311 N ASP A 86 4.827 -5.455 13.863 1.00 0.00 N ATOM 1312 CA ASP A 86 4.833 -5.576 15.317 1.00 0.00 C ATOM 1313 C ASP A 86 5.206 -4.249 15.971 1.00 0.00 C ATOM 1314 O ASP A 86 5.975 -4.214 16.931 1.00 0.00 O ATOM 1315 CB ASP A 86 5.810 -6.668 15.755 1.00 0.00 C ATOM 1316 CG ASP A 86 5.420 -7.297 17.078 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.296 -7.834 17.171 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.238 -7.253 18.019 1.00 0.00 O ATOM 0 H ASP A 86 3.910 -5.575 13.433 1.00 0.00 H new ATOM 0 HA ASP A 86 3.828 -5.849 15.639 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.854 -7.441 14.988 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.811 -6.244 15.839 1.00 0.00 H new ATOM 1323 N GLY A 87 4.656 -3.159 15.444 1.00 0.00 N ATOM 1324 CA GLY A 87 4.945 -1.846 15.988 1.00 0.00 C ATOM 1325 C GLY A 87 6.028 -1.122 15.214 1.00 0.00 C ATOM 1326 O GLY A 87 5.884 0.056 14.886 1.00 0.00 O ATOM 0 H GLY A 87 4.016 -3.163 14.650 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.035 -1.246 15.982 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.253 -1.947 17.029 1.00 0.00 H new ATOM 1330 N GLU A 88 7.116 -1.827 14.921 1.00 0.00 N ATOM 1331 CA GLU A 88 8.229 -1.243 14.182 1.00 0.00 C ATOM 1332 C GLU A 88 7.770 -0.736 12.818 1.00 0.00 C ATOM 1333 O GLU A 88 6.982 -1.389 12.134 1.00 0.00 O ATOM 1334 CB GLU A 88 9.349 -2.270 14.006 1.00 0.00 C ATOM 1335 CG GLU A 88 9.123 -3.224 12.846 1.00 0.00 C ATOM 1336 CD GLU A 88 9.798 -4.566 13.054 1.00 0.00 C ATOM 1337 OE1 GLU A 88 9.419 -5.279 14.007 1.00 0.00 O ATOM 1338 OE2 GLU A 88 10.704 -4.904 12.264 1.00 0.00 O ATOM 0 H GLU A 88 7.250 -2.803 15.184 1.00 0.00 H new ATOM 0 HA GLU A 88 8.608 -0.398 14.756 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.292 -1.744 13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.449 -2.847 14.925 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.052 -3.377 12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.499 -2.771 11.929 1.00 0.00 H new ATOM 1345 N PHE A 89 8.268 0.434 12.430 1.00 0.00 N ATOM 1346 CA PHE A 89 7.909 1.030 11.149 1.00 0.00 C ATOM 1347 C PHE A 89 9.129 1.142 10.240 1.00 0.00 C ATOM 1348 O PHE A 89 10.268 1.093 10.703 1.00 0.00 O ATOM 1349 CB PHE A 89 7.289 2.413 11.362 1.00 0.00 C ATOM 1350 CG PHE A 89 6.012 2.382 12.152 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.796 2.174 11.521 1.00 0.00 C ATOM 1352 CD2 PHE A 89 6.027 2.563 13.526 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.619 2.144 12.245 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.854 2.535 14.255 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.648 2.326 13.614 1.00 0.00 C ATOM 0 H PHE A 89 8.921 0.988 12.985 1.00 0.00 H new ATOM 0 HA PHE A 89 7.177 0.381 10.667 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.009 3.050 11.875 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.095 2.869 10.391 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.768 2.034 10.451 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.967 2.728 14.033 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.678 1.979 11.741 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.880 2.676 15.325 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.730 2.305 14.182 1.00 0.00 H new ATOM 1365 N ARG A 90 8.881 1.292 8.943 1.00 0.00 N ATOM 1366 CA ARG A 90 9.958 1.409 7.967 1.00 0.00 C ATOM 1367 C ARG A 90 9.459 2.061 6.681 1.00 0.00 C ATOM 1368 O ARG A 90 8.485 1.607 6.081 1.00 0.00 O ATOM 1369 CB ARG A 90 10.547 0.031 7.658 1.00 0.00 C ATOM 1370 CG ARG A 90 11.507 -0.474 8.722 1.00 0.00 C ATOM 1371 CD ARG A 90 12.283 -1.690 8.241 1.00 0.00 C ATOM 1372 NE ARG A 90 12.880 -2.432 9.348 1.00 0.00 N ATOM 1373 CZ ARG A 90 12.233 -3.359 10.045 1.00 0.00 C ATOM 1374 NH1 ARG A 90 10.976 -3.658 9.750 1.00 0.00 N ATOM 1375 NH2 ARG A 90 12.845 -3.991 11.038 1.00 0.00 N ATOM 0 H ARG A 90 7.943 1.335 8.544 1.00 0.00 H new ATOM 0 HA ARG A 90 10.736 2.041 8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.733 -0.685 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.068 0.074 6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.203 0.320 8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.951 -0.730 9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.617 -2.347 7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.067 -1.371 7.554 1.00 0.00 H new ATOM 0 HE ARG A 90 13.847 -2.227 9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.503 -3.176 8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.482 -4.370 10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.813 -3.765 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.347 -4.703 11.573 1.00 0.00 H new ATOM 1389 N ARG A 91 10.133 3.128 6.264 1.00 0.00 N ATOM 1390 CA ARG A 91 9.757 3.843 5.051 1.00 0.00 C ATOM 1391 C ARG A 91 10.172 3.061 3.808 1.00 0.00 C ATOM 1392 O ARG A 91 11.343 2.720 3.639 1.00 0.00 O ATOM 1393 CB ARG A 91 10.401 5.231 5.032 1.00 0.00 C ATOM 1394 CG ARG A 91 10.063 6.042 3.791 1.00 0.00 C ATOM 1395 CD ARG A 91 10.387 7.515 3.983 1.00 0.00 C ATOM 1396 NE ARG A 91 9.834 8.341 2.913 1.00 0.00 N ATOM 1397 CZ ARG A 91 10.312 9.536 2.585 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.347 10.042 3.241 1.00 0.00 N ATOM 1399 NH2 ARG A 91 9.755 10.228 1.599 1.00 0.00 N ATOM 0 H ARG A 91 10.942 3.516 6.749 1.00 0.00 H new ATOM 0 HA ARG A 91 8.673 3.952 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.080 5.783 5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.483 5.121 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.620 5.654 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.004 5.929 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.992 7.851 4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.468 7.646 4.020 1.00 0.00 H new ATOM 0 HE ARG A 91 9.037 7.980 2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.778 9.513 3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.712 10.960 2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.959 9.842 1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.123 11.146 1.348 1.00 0.00 H new ATOM 1413 N TYR A 92 9.204 2.780 2.943 1.00 0.00 N ATOM 1414 CA TYR A 92 9.468 2.036 1.717 1.00 0.00 C ATOM 1415 C TYR A 92 10.497 2.757 0.852 1.00 0.00 C ATOM 1416 O TYR A 92 10.233 3.837 0.326 1.00 0.00 O ATOM 1417 CB TYR A 92 8.173 1.836 0.928 1.00 0.00 C ATOM 1418 CG TYR A 92 8.278 0.785 -0.154 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.106 -0.562 0.139 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.549 1.140 -1.470 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.202 -1.525 -0.846 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.646 0.183 -2.462 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.472 -1.148 -2.145 1.00 0.00 C ATOM 1424 OH TYR A 92 8.568 -2.104 -3.130 1.00 0.00 O ATOM 0 H TYR A 92 8.230 3.056 3.068 1.00 0.00 H new ATOM 0 HA TYR A 92 9.872 1.062 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.377 1.556 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.884 2.784 0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.894 -0.861 1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.686 2.181 -1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.066 -2.568 -0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.857 0.476 -3.480 1.00 0.00 H new ATOM 0 HH TYR A 92 7.696 -2.216 -3.563 1.00 0.00 H new ATOM 1434 N GLN A 93 11.671 2.149 0.711 1.00 0.00 N ATOM 1435 CA GLN A 93 12.741 2.733 -0.090 1.00 0.00 C ATOM 1436 C GLN A 93 12.987 1.912 -1.351 1.00 0.00 C ATOM 1437 O GLN A 93 13.927 1.122 -1.417 1.00 0.00 O ATOM 1438 CB GLN A 93 14.028 2.825 0.731 1.00 0.00 C ATOM 1439 CG GLN A 93 13.940 3.801 1.894 1.00 0.00 C ATOM 1440 CD GLN A 93 15.287 4.068 2.535 1.00 0.00 C ATOM 1441 OE1 GLN A 93 16.292 3.455 2.174 1.00 0.00 O ATOM 1442 NE2 GLN A 93 15.316 4.987 3.493 1.00 0.00 N ATOM 0 H GLN A 93 11.905 1.254 1.140 1.00 0.00 H new ATOM 0 HA GLN A 93 12.434 3.736 -0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.275 1.836 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.846 3.126 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.516 4.742 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.257 3.405 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.459 5.471 3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.195 5.209 3.961 1.00 0.00 H new ATOM 1451 N GLY A 94 12.133 2.104 -2.352 1.00 0.00 N ATOM 1452 CA GLY A 94 12.274 1.374 -3.599 1.00 0.00 C ATOM 1453 C GLY A 94 11.553 2.048 -4.750 1.00 0.00 C ATOM 1454 O GLY A 94 11.074 3.176 -4.635 1.00 0.00 O ATOM 0 H GLY A 94 11.346 2.752 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.332 1.279 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.884 0.364 -3.471 1.00 0.00 H new ATOM 1458 N PRO A 95 11.471 1.348 -5.891 1.00 0.00 N ATOM 1459 CA PRO A 95 10.806 1.866 -7.091 1.00 0.00 C ATOM 1460 C PRO A 95 9.293 1.956 -6.922 1.00 0.00 C ATOM 1461 O PRO A 95 8.623 2.704 -7.634 1.00 0.00 O ATOM 1462 CB PRO A 95 11.164 0.838 -8.167 1.00 0.00 C ATOM 1463 CG PRO A 95 11.425 -0.421 -7.415 1.00 0.00 C ATOM 1464 CD PRO A 95 12.020 -0.002 -6.099 1.00 0.00 C ATOM 0 HA PRO A 95 11.126 2.881 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.350 0.712 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.041 1.149 -8.736 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.504 -0.984 -7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.109 -1.069 -7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.735 -0.680 -5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.109 0.008 -6.136 1.00 0.00 H new ATOM 1472 N ARG A 96 8.762 1.190 -5.975 1.00 0.00 N ATOM 1473 CA ARG A 96 7.327 1.183 -5.714 1.00 0.00 C ATOM 1474 C ARG A 96 6.575 0.461 -6.828 1.00 0.00 C ATOM 1475 O ARG A 96 5.608 0.986 -7.381 1.00 0.00 O ATOM 1476 CB ARG A 96 6.805 2.614 -5.576 1.00 0.00 C ATOM 1477 CG ARG A 96 5.644 2.748 -4.605 1.00 0.00 C ATOM 1478 CD ARG A 96 5.199 4.195 -4.464 1.00 0.00 C ATOM 1479 NE ARG A 96 5.237 4.906 -5.739 1.00 0.00 N ATOM 1480 CZ ARG A 96 6.318 5.520 -6.207 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.444 5.510 -5.507 1.00 0.00 N ATOM 1482 NH2 ARG A 96 6.274 6.146 -7.376 1.00 0.00 N ATOM 0 H ARG A 96 9.303 0.567 -5.376 1.00 0.00 H new ATOM 0 HA ARG A 96 7.156 0.650 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.620 3.259 -5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.491 2.973 -6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.807 2.141 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.938 2.360 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.186 4.225 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.842 4.704 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 96 4.386 4.933 -6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.481 5.030 -4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.273 5.982 -5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.409 6.156 -7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.105 6.617 -7.734 1.00 0.00 H new ATOM 1496 N THR A 97 7.026 -0.747 -7.154 1.00 0.00 N ATOM 1497 CA THR A 97 6.397 -1.540 -8.203 1.00 0.00 C ATOM 1498 C THR A 97 5.905 -2.877 -7.661 1.00 0.00 C ATOM 1499 O THR A 97 6.373 -3.348 -6.625 1.00 0.00 O ATOM 1500 CB THR A 97 7.369 -1.798 -9.370 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.566 -2.414 -8.884 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.714 -0.500 -10.084 1.00 0.00 C ATOM 0 H THR A 97 7.824 -1.197 -6.706 1.00 0.00 H new ATOM 0 HA THR A 97 5.547 -0.964 -8.568 1.00 0.00 H new ATOM 0 HB THR A 97 6.880 -2.466 -10.080 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.178 -2.576 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.402 -0.707 -10.904 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.804 -0.049 -10.479 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.184 0.188 -9.381 1.00 0.00 H new ATOM 1510 N LYS A 98 4.959 -3.484 -8.369 1.00 0.00 N ATOM 1511 CA LYS A 98 4.404 -4.769 -7.961 1.00 0.00 C ATOM 1512 C LYS A 98 5.513 -5.744 -7.576 1.00 0.00 C ATOM 1513 O LYS A 98 5.645 -6.122 -6.412 1.00 0.00 O ATOM 1514 CB LYS A 98 3.556 -5.363 -9.088 1.00 0.00 C ATOM 1515 CG LYS A 98 2.490 -6.330 -8.602 1.00 0.00 C ATOM 1516 CD LYS A 98 2.158 -7.371 -9.658 1.00 0.00 C ATOM 1517 CE LYS A 98 3.160 -8.515 -9.646 1.00 0.00 C ATOM 1518 NZ LYS A 98 4.274 -8.288 -10.609 1.00 0.00 N ATOM 0 H LYS A 98 4.560 -3.107 -9.229 1.00 0.00 H new ATOM 0 HA LYS A 98 3.772 -4.603 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.076 -4.552 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.210 -5.880 -9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.835 -6.827 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.588 -5.777 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.156 -7.762 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.150 -6.903 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.567 -8.631 -8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.651 -9.446 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.421 -9.146 -11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.034 -7.494 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.145 -8.066 -10.086 1.00 0.00 H new ATOM 1532 N LYS A 99 6.308 -6.146 -8.562 1.00 0.00 N ATOM 1533 CA LYS A 99 7.408 -7.074 -8.327 1.00 0.00 C ATOM 1534 C LYS A 99 8.153 -6.722 -7.044 1.00 0.00 C ATOM 1535 O LYS A 99 8.131 -7.481 -6.074 1.00 0.00 O ATOM 1536 CB LYS A 99 8.377 -7.058 -9.512 1.00 0.00 C ATOM 1537 CG LYS A 99 9.707 -7.730 -9.219 1.00 0.00 C ATOM 1538 CD LYS A 99 10.809 -7.205 -10.124 1.00 0.00 C ATOM 1539 CE LYS A 99 12.148 -7.163 -9.405 1.00 0.00 C ATOM 1540 NZ LYS A 99 13.289 -7.332 -10.347 1.00 0.00 N ATOM 0 H LYS A 99 6.211 -5.844 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 99 6.989 -8.075 -8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.908 -7.555 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.559 -6.025 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.979 -7.561 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.608 -8.807 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.889 -7.839 -11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.550 -6.205 -10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.248 -6.213 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.180 -7.949 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.184 -7.298 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.207 -8.249 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.274 -6.567 -11.052 1.00 0.00 H new ATOM 1554 N ASP A 100 8.809 -5.567 -7.043 1.00 0.00 N ATOM 1555 CA ASP A 100 9.558 -5.114 -5.877 1.00 0.00 C ATOM 1556 C ASP A 100 8.827 -5.474 -4.588 1.00 0.00 C ATOM 1557 O ASP A 100 9.336 -6.236 -3.766 1.00 0.00 O ATOM 1558 CB ASP A 100 9.784 -3.603 -5.945 1.00 0.00 C ATOM 1559 CG ASP A 100 11.012 -3.165 -5.172 1.00 0.00 C ATOM 1560 OD1 ASP A 100 12.133 -3.532 -5.581 1.00 0.00 O ATOM 1561 OD2 ASP A 100 10.851 -2.455 -4.157 1.00 0.00 O ATOM 0 H ASP A 100 8.837 -4.927 -7.837 1.00 0.00 H new ATOM 0 HA ASP A 100 10.524 -5.618 -5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.888 -3.301 -6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.907 -3.090 -5.550 1.00 0.00 H new ATOM 1566 N PHE A 101 7.632 -4.921 -4.417 1.00 0.00 N ATOM 1567 CA PHE A 101 6.831 -5.182 -3.227 1.00 0.00 C ATOM 1568 C PHE A 101 6.991 -6.629 -2.770 1.00 0.00 C ATOM 1569 O PHE A 101 7.501 -6.895 -1.682 1.00 0.00 O ATOM 1570 CB PHE A 101 5.356 -4.883 -3.502 1.00 0.00 C ATOM 1571 CG PHE A 101 5.077 -3.429 -3.757 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.733 -2.447 -3.033 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.159 -3.045 -4.722 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.477 -1.108 -3.265 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.900 -1.708 -4.959 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.561 -0.739 -4.230 1.00 0.00 C ATOM 0 H PHE A 101 7.196 -4.288 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 101 7.185 -4.526 -2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.030 -5.464 -4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.761 -5.215 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.452 -2.730 -2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.640 -3.799 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.993 -0.352 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.182 -1.422 -5.713 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.362 0.306 -4.415 1.00 0.00 H new ATOM 1586 N ILE A 102 6.551 -7.560 -3.610 1.00 0.00 N ATOM 1587 CA ILE A 102 6.646 -8.980 -3.294 1.00 0.00 C ATOM 1588 C ILE A 102 7.890 -9.276 -2.463 1.00 0.00 C ATOM 1589 O ILE A 102 7.794 -9.626 -1.288 1.00 0.00 O ATOM 1590 CB ILE A 102 6.679 -9.840 -4.571 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.269 -9.990 -5.148 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.284 -11.204 -4.276 1.00 0.00 C ATOM 1593 CD1 ILE A 102 4.949 -8.984 -6.231 1.00 0.00 C ATOM 0 H ILE A 102 6.125 -7.357 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 102 5.757 -9.235 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 102 7.303 -9.340 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.156 -10.996 -5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.543 -9.887 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.300 -11.800 -5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.302 -11.078 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.684 -11.713 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.934 -9.150 -6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.029 -7.975 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.652 -9.101 -7.056 1.00 0.00 H new ATOM 1605 N ASN A 103 9.057 -9.132 -3.082 1.00 0.00 N ATOM 1606 CA ASN A 103 10.321 -9.383 -2.399 1.00 0.00 C ATOM 1607 C ASN A 103 10.323 -8.752 -1.010 1.00 0.00 C ATOM 1608 O ASN A 103 10.585 -9.423 -0.012 1.00 0.00 O ATOM 1609 CB ASN A 103 11.487 -8.833 -3.223 1.00 0.00 C ATOM 1610 CG ASN A 103 11.463 -9.323 -4.658 1.00 0.00 C ATOM 1611 OD1 ASN A 103 11.643 -10.511 -4.923 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.239 -8.405 -5.592 1.00 0.00 N ATOM 0 H ASN A 103 9.154 -8.843 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 103 10.439 -10.461 -2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.453 -7.744 -3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.428 -9.127 -2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.211 -8.674 -6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.095 -7.431 -5.326 1.00 0.00 H new ATOM 1619 N PHE A 104 10.027 -7.457 -0.953 1.00 0.00 N ATOM 1620 CA PHE A 104 9.995 -6.735 0.313 1.00 0.00 C ATOM 1621 C PHE A 104 9.259 -7.541 1.380 1.00 0.00 C ATOM 1622 O PHE A 104 9.567 -7.444 2.568 1.00 0.00 O ATOM 1623 CB PHE A 104 9.322 -5.373 0.131 1.00 0.00 C ATOM 1624 CG PHE A 104 9.364 -4.515 1.363 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.539 -3.891 1.749 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.228 -4.332 2.135 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.581 -3.099 2.881 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.263 -3.541 3.268 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.442 -2.925 3.642 1.00 0.00 C ATOM 0 H PHE A 104 9.806 -6.887 -1.769 1.00 0.00 H new ATOM 0 HA PHE A 104 11.023 -6.583 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.808 -4.843 -0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.283 -5.526 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.433 -4.025 1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.305 -4.813 1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.503 -2.617 3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.370 -3.405 3.860 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.473 -2.308 4.528 1.00 0.00 H new ATOM 1639 N ILE A 105 8.286 -8.334 0.947 1.00 0.00 N ATOM 1640 CA ILE A 105 7.506 -9.157 1.864 1.00 0.00 C ATOM 1641 C ILE A 105 8.096 -10.558 1.983 1.00 0.00 C ATOM 1642 O ILE A 105 8.486 -10.988 3.068 1.00 0.00 O ATOM 1643 CB ILE A 105 6.038 -9.267 1.412 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.445 -7.874 1.186 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.223 -10.035 2.441 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.394 -7.029 2.440 1.00 0.00 C ATOM 0 H ILE A 105 8.018 -8.425 -0.033 1.00 0.00 H new ATOM 0 HA ILE A 105 7.542 -8.666 2.837 1.00 0.00 H new ATOM 0 HB ILE A 105 6.004 -9.813 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.035 -7.355 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.436 -7.978 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.188 -10.104 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.635 -11.038 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.262 -9.514 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.963 -6.056 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.779 -7.527 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.403 -6.894 2.829 1.00 0.00 H new ATOM 1658 N SER A 106 8.161 -11.264 0.859 1.00 0.00 N ATOM 1659 CA SER A 106 8.702 -12.618 0.837 1.00 0.00 C ATOM 1660 C SER A 106 10.162 -12.627 1.277 1.00 0.00 C ATOM 1661 O SER A 106 10.539 -13.347 2.201 1.00 0.00 O ATOM 1662 CB SER A 106 8.577 -13.218 -0.566 1.00 0.00 C ATOM 1663 OG SER A 106 8.818 -14.614 -0.547 1.00 0.00 O ATOM 0 H SER A 106 7.846 -10.921 -0.048 1.00 0.00 H new ATOM 0 HA SER A 106 8.126 -13.224 1.536 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.580 -13.023 -0.961 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.286 -12.733 -1.237 1.00 0.00 H new ATOM 0 HG SER A 106 8.730 -14.973 -1.454 1.00 0.00 H new ATOM 1669 N ASP A 107 10.980 -11.821 0.609 1.00 0.00 N ATOM 1670 CA ASP A 107 12.399 -11.734 0.931 1.00 0.00 C ATOM 1671 C ASP A 107 12.613 -11.000 2.251 1.00 0.00 C ATOM 1672 O ASP A 107 13.650 -11.152 2.897 1.00 0.00 O ATOM 1673 CB ASP A 107 13.156 -11.021 -0.192 1.00 0.00 C ATOM 1674 CG ASP A 107 13.664 -11.982 -1.248 1.00 0.00 C ATOM 1675 OD1 ASP A 107 14.053 -13.111 -0.885 1.00 0.00 O ATOM 1676 OD2 ASP A 107 13.675 -11.603 -2.439 1.00 0.00 O ATOM 0 H ASP A 107 10.684 -11.218 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 107 12.786 -12.748 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.500 -10.286 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.998 -10.473 0.232 1.00 0.00 H new ATOM 1681 N LYS A 108 11.626 -10.203 2.645 1.00 0.00 N ATOM 1682 CA LYS A 108 11.704 -9.445 3.889 1.00 0.00 C ATOM 1683 C LYS A 108 12.871 -8.463 3.854 1.00 0.00 C ATOM 1684 O LYS A 108 13.703 -8.442 4.761 1.00 0.00 O ATOM 1685 CB LYS A 108 11.858 -10.394 5.080 1.00 0.00 C ATOM 1686 CG LYS A 108 10.718 -11.389 5.215 1.00 0.00 C ATOM 1687 CD LYS A 108 11.135 -12.607 6.023 1.00 0.00 C ATOM 1688 CE LYS A 108 10.284 -13.820 5.680 1.00 0.00 C ATOM 1689 NZ LYS A 108 10.934 -15.091 6.106 1.00 0.00 N ATOM 0 H LYS A 108 10.762 -10.065 2.121 1.00 0.00 H new ATOM 0 HA LYS A 108 10.779 -8.880 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.796 -10.940 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.927 -9.807 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.867 -10.906 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.389 -11.703 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.184 -12.831 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.046 -12.387 7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.311 -13.730 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.105 -13.846 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.323 -15.894 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.851 -15.190 5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.082 -15.077 7.135 1.00 0.00 H new ATOM 1703 N GLU A 109 12.924 -7.650 2.803 1.00 0.00 N ATOM 1704 CA GLU A 109 13.988 -6.665 2.653 1.00 0.00 C ATOM 1705 C GLU A 109 13.893 -5.591 3.733 1.00 0.00 C ATOM 1706 O GLU A 109 14.882 -4.936 4.061 1.00 0.00 O ATOM 1707 CB GLU A 109 13.923 -6.018 1.268 1.00 0.00 C ATOM 1708 CG GLU A 109 14.213 -6.984 0.131 1.00 0.00 C ATOM 1709 CD GLU A 109 14.505 -6.274 -1.177 1.00 0.00 C ATOM 1710 OE1 GLU A 109 15.573 -5.636 -1.281 1.00 0.00 O ATOM 1711 OE2 GLU A 109 13.664 -6.358 -2.097 1.00 0.00 O ATOM 0 H GLU A 109 12.243 -7.654 2.044 1.00 0.00 H new ATOM 0 HA GLU A 109 14.942 -7.181 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.932 -5.587 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.637 -5.196 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.065 -7.609 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.359 -7.648 -0.003 1.00 0.00 H new ATOM 1718 N TRP A 110 12.695 -5.417 4.280 1.00 0.00 N ATOM 1719 CA TRP A 110 12.470 -4.422 5.323 1.00 0.00 C ATOM 1720 C TRP A 110 13.584 -4.461 6.363 1.00 0.00 C ATOM 1721 O TRP A 110 14.019 -3.422 6.861 1.00 0.00 O ATOM 1722 CB TRP A 110 11.117 -4.658 5.997 1.00 0.00 C ATOM 1723 CG TRP A 110 10.857 -6.098 6.319 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.115 -6.981 5.586 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.335 -6.822 7.458 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.104 -8.209 6.201 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.846 -8.138 7.351 1.00 0.00 C ATOM 1728 CE3 TRP A 110 12.131 -6.486 8.556 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.127 -9.116 8.302 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.408 -7.458 9.499 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.908 -8.760 9.367 1.00 0.00 C ATOM 0 H TRP A 110 11.866 -5.951 4.019 1.00 0.00 H new ATOM 0 HA TRP A 110 12.469 -3.437 4.857 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.070 -4.073 6.916 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.325 -4.290 5.344 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.611 -6.748 4.660 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.622 -9.039 5.857 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.523 -5.486 8.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.742 -10.120 8.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 13.021 -7.209 10.353 1.00 0.00 H new ATOM 0 HH2 TRP A 110 12.144 -9.497 10.121 1.00 0.00 H new ATOM 1742 N LYS A 111 14.042 -5.665 6.688 1.00 0.00 N ATOM 1743 CA LYS A 111 15.107 -5.840 7.668 1.00 0.00 C ATOM 1744 C LYS A 111 16.349 -5.050 7.269 1.00 0.00 C ATOM 1745 O LYS A 111 17.038 -4.486 8.119 1.00 0.00 O ATOM 1746 CB LYS A 111 15.457 -7.323 7.813 1.00 0.00 C ATOM 1747 CG LYS A 111 16.331 -7.853 6.690 1.00 0.00 C ATOM 1748 CD LYS A 111 16.668 -9.321 6.892 1.00 0.00 C ATOM 1749 CE LYS A 111 15.414 -10.161 7.074 1.00 0.00 C ATOM 1750 NZ LYS A 111 15.599 -11.551 6.572 1.00 0.00 N ATOM 0 H LYS A 111 13.692 -6.535 6.287 1.00 0.00 H new ATOM 0 HA LYS A 111 14.750 -5.462 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.968 -7.476 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.535 -7.904 7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.818 -7.724 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 111 17.251 -7.271 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 111 17.231 -9.687 6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 111 17.311 -9.431 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.146 -10.189 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.583 -9.692 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.722 -12.091 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.830 -11.526 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.375 -12.008 7.093 1.00 0.00 H new ATOM 1764 N SER A 112 16.629 -5.014 5.970 1.00 0.00 N ATOM 1765 CA SER A 112 17.790 -4.295 5.458 1.00 0.00 C ATOM 1766 C SER A 112 17.704 -2.810 5.800 1.00 0.00 C ATOM 1767 O SER A 112 18.722 -2.155 6.027 1.00 0.00 O ATOM 1768 CB SER A 112 17.901 -4.475 3.943 1.00 0.00 C ATOM 1769 OG SER A 112 19.165 -4.043 3.469 1.00 0.00 O ATOM 0 H SER A 112 16.068 -5.474 5.253 1.00 0.00 H new ATOM 0 HA SER A 112 18.680 -4.709 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.752 -5.524 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.111 -3.910 3.448 1.00 0.00 H new ATOM 0 HG SER A 112 19.211 -4.170 2.498 1.00 0.00 H new ATOM 1775 N ILE A 113 16.483 -2.288 5.836 1.00 0.00 N ATOM 1776 CA ILE A 113 16.264 -0.882 6.152 1.00 0.00 C ATOM 1777 C ILE A 113 16.217 -0.657 7.659 1.00 0.00 C ATOM 1778 O ILE A 113 15.618 -1.441 8.395 1.00 0.00 O ATOM 1779 CB ILE A 113 14.956 -0.362 5.526 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.970 -0.574 4.011 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.758 1.109 5.858 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.589 -0.632 3.396 1.00 0.00 C ATOM 0 H ILE A 113 15.631 -2.817 5.650 1.00 0.00 H new ATOM 0 HA ILE A 113 17.104 -0.330 5.731 1.00 0.00 H new ATOM 0 HB ILE A 113 14.122 -0.925 5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.533 0.234 3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.498 -1.501 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.830 1.462 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.708 1.234 6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 113 15.594 1.687 5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.676 -0.784 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.030 -1.458 3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 113 13.065 0.304 3.589 1.00 0.00 H new