USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 852 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 77 CYS SG : rot 26:sc= 2.17 USER MOD Set 1.2: A 100 TYR OH : rot 127:sc= 1.4 USER MOD Set 2.1: A 39 CYS SG : rot 83:sc= -4.78! USER MOD Set 2.2: A 63 ASN : amide:sc= -5.69! C(o=-10!,f=-19!) USER MOD Set 3.1: A 20 TYR OH : rot -162:sc= -1.54! USER MOD Set 3.2: A 43 HIS : no HD1:sc= 0.518 K(o=-1,f=-14!) USER MOD Set 4.1: A 33 SER OG : rot -82:sc= 0.431 USER MOD Set 4.2: A 34 SER OG : rot 180:sc= 0.00823 USER MOD Set 5.1: A 29 SER OG : rot 180:sc= 0.121! USER MOD Set 5.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 22 HIS : no HE2:sc= -6.77! C(o=-7.5!,f=-14!) USER MOD Set 6.2: A 36 MET CE :methyl 156:sc= -0.706 (180deg=0) USER MOD Set 6.3: A 52 TYR OH : rot 180:sc= -0.0278 USER MOD Single : A 7 ASN : amide:sc= -0.062 K(o=-0.062,f=-1) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 14:sc= 1.78 USER MOD Single : A 16 MET CE :methyl -173:sc= -2.1! (180deg=-2.21!) USER MOD Single : A 17 THR OG1 : rot -80:sc= -3.13! USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 27 ASN : amide:sc= -3.64! C(o=-3.6!,f=-18!) USER MOD Single : A 31 SER OG : rot 87:sc= -0.221 USER MOD Single : A 44 LYS NZ :NH3+ -147:sc= -0.314 (180deg=-1.24!) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0382) USER MOD Single : A 62 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 65 THR OG1 : rot 81:sc= -1.69! USER MOD Single : A 69 SER OG : rot -170:sc= -0.115 USER MOD Single : A 70 THR OG1 : rot 69:sc= 0.892 USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.166 (180deg=-1.02) USER MOD Single : A 79 GLN : amide:sc= 0.95 K(o=0.95,f=-1) USER MOD Single : A 86 MET CE :methyl 167:sc= -0.432 (180deg=-0.486) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 141:sc= -1.15 (180deg=-3.29!) USER MOD Single : A 96 CYS SG : rot 128:sc= -0.283 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 93:sc= 0.593 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.478 F(o=-2.8!,f=-0.48) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.659 F(o=-1.2,f=-0.66) USER MOD Single : A 111 LYS NZ :NH3+ -116:sc= -0.238 (180deg=-1.47) USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.246 13.012 5.185 1.00 0.00 N ATOM 84 CA ASN A 7 3.044 13.695 3.919 1.00 0.00 C ATOM 85 C ASN A 7 3.919 13.070 2.840 1.00 0.00 C ATOM 86 O ASN A 7 3.491 12.893 1.700 1.00 0.00 O ATOM 87 CB ASN A 7 3.387 15.180 4.068 1.00 0.00 C ATOM 88 CG ASN A 7 2.742 15.986 2.944 1.00 0.00 C ATOM 89 OD1 ASN A 7 1.599 15.726 2.572 1.00 0.00 O ATOM 90 ND2 ASN A 7 3.416 16.946 2.374 1.00 0.00 N ATOM 0 HA ASN A 7 1.998 13.595 3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.039 15.546 5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.468 15.315 4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.995 17.484 1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.364 17.158 2.686 1.00 0.00 H new ATOM 97 N MET A 8 5.148 12.744 3.217 1.00 0.00 N ATOM 98 CA MET A 8 6.090 12.142 2.285 1.00 0.00 C ATOM 99 C MET A 8 5.529 10.841 1.723 1.00 0.00 C ATOM 100 O MET A 8 5.494 10.642 0.511 1.00 0.00 O ATOM 101 CB MET A 8 7.411 11.861 3.019 1.00 0.00 C ATOM 102 CG MET A 8 8.401 11.141 2.095 1.00 0.00 C ATOM 103 SD MET A 8 8.697 12.136 0.612 1.00 0.00 S ATOM 104 CE MET A 8 9.663 10.904 -0.292 1.00 0.00 C ATOM 0 H MET A 8 5.514 12.886 4.158 1.00 0.00 H new ATOM 0 HA MET A 8 6.262 12.830 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.846 12.798 3.367 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.220 11.251 3.902 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.340 10.967 2.620 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.006 10.164 1.815 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.959 11.311 -1.259 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.554 10.647 0.282 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.060 10.009 -0.445 1.00 0.00 H new ATOM 114 N LEU A 9 5.084 9.970 2.620 1.00 0.00 N ATOM 115 CA LEU A 9 4.519 8.693 2.225 1.00 0.00 C ATOM 116 C LEU A 9 3.240 8.900 1.438 1.00 0.00 C ATOM 117 O LEU A 9 3.007 8.241 0.425 1.00 0.00 O ATOM 118 CB LEU A 9 4.210 7.884 3.474 1.00 0.00 C ATOM 119 CG LEU A 9 5.504 7.453 4.155 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.175 6.845 5.521 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.257 6.415 3.290 1.00 0.00 C ATOM 0 H LEU A 9 5.105 10.128 3.627 1.00 0.00 H new ATOM 0 HA LEU A 9 5.237 8.165 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.609 8.479 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.619 7.007 3.211 1.00 0.00 H new ATOM 0 HG LEU A 9 6.145 8.326 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.097 6.535 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.667 7.587 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.526 5.979 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.178 6.121 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.627 5.538 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.498 6.854 2.322 1.00 0.00 H new ATOM 133 N LEU A 10 2.412 9.816 1.924 1.00 0.00 N ATOM 134 CA LEU A 10 1.143 10.101 1.265 1.00 0.00 C ATOM 135 C LEU A 10 1.408 10.623 -0.143 1.00 0.00 C ATOM 136 O LEU A 10 0.809 10.164 -1.117 1.00 0.00 O ATOM 137 CB LEU A 10 0.338 11.125 2.091 1.00 0.00 C ATOM 138 CG LEU A 10 -0.985 11.479 1.387 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.830 10.213 1.194 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.770 12.499 2.237 1.00 0.00 C ATOM 0 H LEU A 10 2.592 10.369 2.762 1.00 0.00 H new ATOM 0 HA LEU A 10 0.554 9.187 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.131 10.718 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.931 12.028 2.236 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.764 11.914 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.764 10.472 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.279 9.497 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.048 9.769 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.706 12.747 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.985 12.068 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.174 13.403 2.362 1.00 0.00 H new ATOM 152 N GLU A 11 2.324 11.570 -0.234 1.00 0.00 N ATOM 153 CA GLU A 11 2.694 12.164 -1.514 1.00 0.00 C ATOM 154 C GLU A 11 3.160 11.079 -2.466 1.00 0.00 C ATOM 155 O GLU A 11 2.716 10.962 -3.611 1.00 0.00 O ATOM 156 CB GLU A 11 3.852 13.121 -1.267 1.00 0.00 C ATOM 157 CG GLU A 11 4.160 13.899 -2.540 1.00 0.00 C ATOM 158 CD GLU A 11 5.299 14.879 -2.284 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.902 14.794 -1.226 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.552 15.699 -3.149 1.00 0.00 O ATOM 0 H GLU A 11 2.830 11.949 0.566 1.00 0.00 H new ATOM 0 HA GLU A 11 1.839 12.683 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.600 13.810 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.733 12.565 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.433 13.211 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.272 14.438 -2.872 1.00 0.00 H new ATOM 167 N TRP A 12 4.074 10.304 -1.934 1.00 0.00 N ATOM 168 CA TRP A 12 4.703 9.190 -2.614 1.00 0.00 C ATOM 169 C TRP A 12 3.667 8.149 -3.051 1.00 0.00 C ATOM 170 O TRP A 12 3.508 7.878 -4.241 1.00 0.00 O ATOM 171 CB TRP A 12 5.664 8.637 -1.572 1.00 0.00 C ATOM 172 CG TRP A 12 6.448 7.468 -2.036 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.548 7.508 -2.813 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.246 6.086 -1.672 1.00 0.00 C ATOM 175 NE1 TRP A 12 8.032 6.220 -2.960 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.255 5.306 -2.272 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.280 5.449 -0.885 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.307 3.923 -2.091 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.324 4.060 -0.699 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.337 3.298 -1.299 1.00 0.00 C ATOM 0 H TRP A 12 4.415 10.434 -0.981 1.00 0.00 H new ATOM 0 HA TRP A 12 5.210 9.480 -3.534 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.352 9.427 -1.272 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.098 8.353 -0.685 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.980 8.397 -3.248 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.858 5.976 -3.507 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.498 6.030 -0.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.088 3.341 -2.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.575 3.575 -0.091 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.369 2.229 -1.150 1.00 0.00 H new ATOM 191 N CYS A 13 2.956 7.578 -2.083 1.00 0.00 N ATOM 192 CA CYS A 13 1.934 6.571 -2.377 1.00 0.00 C ATOM 193 C CYS A 13 0.957 7.082 -3.444 1.00 0.00 C ATOM 194 O CYS A 13 0.606 6.365 -4.381 1.00 0.00 O ATOM 195 CB CYS A 13 1.172 6.257 -1.083 1.00 0.00 C ATOM 196 SG CYS A 13 2.052 4.973 -0.160 1.00 0.00 S ATOM 0 H CYS A 13 3.066 7.792 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 13 2.414 5.671 -2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.079 7.157 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.161 5.924 -1.316 1.00 0.00 H new ATOM 0 HG CYS A 13 3.247 4.828 -0.650 1.00 0.00 H new ATOM 202 N ARG A 14 0.534 8.329 -3.281 1.00 0.00 N ATOM 203 CA ARG A 14 -0.402 8.954 -4.223 1.00 0.00 C ATOM 204 C ARG A 14 0.228 9.057 -5.603 1.00 0.00 C ATOM 205 O ARG A 14 -0.364 8.671 -6.611 1.00 0.00 O ATOM 206 CB ARG A 14 -0.745 10.361 -3.748 1.00 0.00 C ATOM 207 CG ARG A 14 -1.821 10.966 -4.657 1.00 0.00 C ATOM 208 CD ARG A 14 -2.206 12.354 -4.144 1.00 0.00 C ATOM 209 NE ARG A 14 -3.353 12.868 -4.887 1.00 0.00 N ATOM 210 CZ ARG A 14 -3.197 13.550 -6.020 1.00 0.00 C ATOM 211 NH1 ARG A 14 -2.834 14.802 -5.983 1.00 0.00 N ATOM 212 NH2 ARG A 14 -3.408 12.965 -7.166 1.00 0.00 N ATOM 0 H ARG A 14 0.820 8.931 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.301 8.340 -4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.100 10.331 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.148 10.987 -3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.450 11.035 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.698 10.319 -4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.445 12.303 -3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.361 13.035 -4.248 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.294 12.701 -4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.669 15.259 -5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.715 15.324 -6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.692 11.986 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.289 13.487 -8.034 1.00 0.00 H new ATOM 226 N ALA A 15 1.437 9.584 -5.624 1.00 0.00 N ATOM 227 CA ALA A 15 2.175 9.753 -6.873 1.00 0.00 C ATOM 228 C ALA A 15 2.094 8.500 -7.743 1.00 0.00 C ATOM 229 O ALA A 15 2.459 8.526 -8.919 1.00 0.00 O ATOM 230 CB ALA A 15 3.639 10.063 -6.571 1.00 0.00 C ATOM 0 H ALA A 15 1.934 9.904 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 15 1.722 10.581 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.185 10.188 -7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.704 10.981 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.075 9.241 -6.003 1.00 0.00 H new ATOM 236 N MET A 16 1.624 7.401 -7.159 1.00 0.00 N ATOM 237 CA MET A 16 1.507 6.137 -7.881 1.00 0.00 C ATOM 238 C MET A 16 0.034 5.777 -8.103 1.00 0.00 C ATOM 239 O MET A 16 -0.280 4.953 -8.955 1.00 0.00 O ATOM 240 CB MET A 16 2.211 5.039 -7.073 1.00 0.00 C ATOM 241 CG MET A 16 3.709 5.031 -7.410 1.00 0.00 C ATOM 242 SD MET A 16 4.434 6.653 -7.044 1.00 0.00 S ATOM 243 CE MET A 16 5.198 6.221 -5.462 1.00 0.00 C ATOM 0 H MET A 16 1.318 7.360 -6.187 1.00 0.00 H new ATOM 0 HA MET A 16 1.978 6.232 -8.859 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.069 5.211 -6.006 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.772 4.068 -7.301 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.216 4.258 -6.833 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.852 4.788 -8.463 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.601 7.120 -4.995 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.450 5.775 -4.806 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.004 5.507 -5.630 1.00 0.00 H new ATOM 253 N THR A 17 -0.850 6.412 -7.342 1.00 0.00 N ATOM 254 CA THR A 17 -2.287 6.162 -7.463 1.00 0.00 C ATOM 255 C THR A 17 -2.843 6.714 -8.777 1.00 0.00 C ATOM 256 O THR A 17 -3.944 6.351 -9.192 1.00 0.00 O ATOM 257 CB THR A 17 -3.030 6.814 -6.293 1.00 0.00 C ATOM 258 OG1 THR A 17 -2.669 6.171 -5.082 1.00 0.00 O ATOM 259 CG2 THR A 17 -4.541 6.689 -6.509 1.00 0.00 C ATOM 0 H THR A 17 -0.600 7.103 -6.635 1.00 0.00 H new ATOM 0 HA THR A 17 -2.437 5.083 -7.449 1.00 0.00 H new ATOM 0 HB THR A 17 -2.759 7.868 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.176 5.337 -4.991 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.067 7.154 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.818 7.189 -7.437 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.814 5.635 -6.569 1.00 0.00 H new ATOM 267 N ARG A 18 -2.080 7.577 -9.421 1.00 0.00 N ATOM 268 CA ARG A 18 -2.494 8.163 -10.687 1.00 0.00 C ATOM 269 C ARG A 18 -2.568 7.081 -11.762 1.00 0.00 C ATOM 270 O ARG A 18 -3.424 7.109 -12.648 1.00 0.00 O ATOM 271 CB ARG A 18 -1.465 9.218 -11.080 1.00 0.00 C ATOM 272 CG ARG A 18 -0.101 8.541 -11.219 1.00 0.00 C ATOM 273 CD ARG A 18 0.986 9.588 -11.409 1.00 0.00 C ATOM 274 NE ARG A 18 2.273 8.928 -11.576 1.00 0.00 N ATOM 275 CZ ARG A 18 3.384 9.631 -11.745 1.00 0.00 C ATOM 276 NH1 ARG A 18 4.044 10.060 -10.704 1.00 0.00 N ATOM 277 NH2 ARG A 18 3.813 9.892 -12.947 1.00 0.00 N ATOM 0 H ARG A 18 -1.168 7.890 -9.089 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.480 8.617 -10.588 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.749 9.692 -12.019 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.422 10.004 -10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.109 7.944 -10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.111 7.857 -12.068 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.765 10.203 -12.281 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.017 10.256 -10.548 1.00 0.00 H new ATOM 0 HE ARG A 18 2.320 7.909 -11.563 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.704 9.854 -9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.899 10.601 -10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.294 9.555 -13.758 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.668 10.433 -13.077 1.00 0.00 H new ATOM 291 N ASN A 19 -1.636 6.144 -11.664 1.00 0.00 N ATOM 292 CA ASN A 19 -1.548 5.037 -12.605 1.00 0.00 C ATOM 293 C ASN A 19 -2.747 4.115 -12.461 1.00 0.00 C ATOM 294 O ASN A 19 -3.272 3.591 -13.444 1.00 0.00 O ATOM 295 CB ASN A 19 -0.267 4.238 -12.356 1.00 0.00 C ATOM 296 CG ASN A 19 0.956 5.144 -12.474 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.115 5.848 -13.471 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.836 5.167 -11.508 1.00 0.00 N ATOM 0 H ASN A 19 -0.923 6.129 -10.934 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.534 5.448 -13.614 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.299 3.787 -11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.194 3.422 -13.075 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.656 5.769 -11.580 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.703 4.583 -10.683 1.00 0.00 H new ATOM 305 N TYR A 20 -3.156 3.916 -11.216 1.00 0.00 N ATOM 306 CA TYR A 20 -4.279 3.045 -10.900 1.00 0.00 C ATOM 307 C TYR A 20 -5.566 3.848 -10.764 1.00 0.00 C ATOM 308 O TYR A 20 -5.533 5.046 -10.487 1.00 0.00 O ATOM 309 CB TYR A 20 -3.980 2.326 -9.587 1.00 0.00 C ATOM 310 CG TYR A 20 -2.776 1.434 -9.771 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.494 1.939 -9.543 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.944 0.106 -10.165 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.374 1.115 -9.707 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.826 -0.722 -10.330 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.540 -0.216 -10.101 1.00 0.00 C ATOM 316 OH TYR A 20 0.560 -1.035 -10.259 1.00 0.00 O ATOM 0 H TYR A 20 -2.722 4.350 -10.402 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.414 2.324 -11.707 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.792 3.052 -8.796 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.842 1.734 -9.278 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.366 2.968 -9.239 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.936 -0.283 -10.343 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.617 1.507 -9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.956 -1.750 -10.634 1.00 0.00 H new ATOM 0 HH TYR A 20 0.312 -1.815 -10.797 1.00 0.00 H new ATOM 326 N GLU A 21 -6.701 3.185 -10.982 1.00 0.00 N ATOM 327 CA GLU A 21 -8.005 3.849 -10.896 1.00 0.00 C ATOM 328 C GLU A 21 -8.864 3.213 -9.817 1.00 0.00 C ATOM 329 O GLU A 21 -8.472 2.217 -9.211 1.00 0.00 O ATOM 330 CB GLU A 21 -8.730 3.746 -12.233 1.00 0.00 C ATOM 331 CG GLU A 21 -8.001 4.590 -13.276 1.00 0.00 C ATOM 332 CD GLU A 21 -8.676 4.427 -14.632 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.643 3.685 -14.702 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.222 5.050 -15.576 1.00 0.00 O ATOM 0 H GLU A 21 -6.746 2.194 -11.218 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.836 4.896 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.772 2.706 -12.556 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.759 4.089 -12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.009 5.639 -12.979 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.957 4.284 -13.340 1.00 0.00 H new ATOM 341 N HIS A 22 -10.031 3.810 -9.572 1.00 0.00 N ATOM 342 CA HIS A 22 -10.939 3.301 -8.551 1.00 0.00 C ATOM 343 C HIS A 22 -10.230 3.353 -7.200 1.00 0.00 C ATOM 344 O HIS A 22 -10.737 2.897 -6.180 1.00 0.00 O ATOM 345 CB HIS A 22 -11.366 1.861 -8.905 1.00 0.00 C ATOM 346 CG HIS A 22 -12.437 1.369 -7.966 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.193 1.136 -6.629 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.752 1.020 -8.173 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.328 0.667 -6.080 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.313 0.576 -6.977 1.00 0.00 N ATOM 0 H HIS A 22 -10.365 4.639 -10.063 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.840 3.912 -8.501 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.734 1.829 -9.931 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.502 1.199 -8.855 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.310 1.291 -6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.270 1.081 -9.118 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.430 0.397 -5.039 1.00 0.00 H new ATOM 358 N VAL A 23 -9.036 3.952 -7.206 1.00 0.00 N ATOM 359 CA VAL A 23 -8.229 4.094 -5.998 1.00 0.00 C ATOM 360 C VAL A 23 -7.925 5.568 -5.748 1.00 0.00 C ATOM 361 O VAL A 23 -7.427 6.270 -6.629 1.00 0.00 O ATOM 362 CB VAL A 23 -6.920 3.321 -6.194 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.964 3.579 -5.030 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.223 1.824 -6.294 1.00 0.00 C ATOM 0 H VAL A 23 -8.607 4.348 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.772 3.699 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.444 3.661 -7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.041 3.022 -5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.740 4.644 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.429 3.255 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.293 1.273 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.709 1.489 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.883 1.642 -7.142 1.00 0.00 H new ATOM 374 N ASP A 24 -8.225 6.027 -4.540 1.00 0.00 N ATOM 375 CA ASP A 24 -7.986 7.423 -4.157 1.00 0.00 C ATOM 376 C ASP A 24 -7.384 7.489 -2.761 1.00 0.00 C ATOM 377 O ASP A 24 -8.070 7.248 -1.767 1.00 0.00 O ATOM 378 CB ASP A 24 -9.301 8.206 -4.186 1.00 0.00 C ATOM 379 CG ASP A 24 -9.842 8.262 -5.610 1.00 0.00 C ATOM 380 OD1 ASP A 24 -9.085 8.628 -6.495 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.002 7.932 -5.796 1.00 0.00 O ATOM 0 H ASP A 24 -8.636 5.455 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.288 7.865 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.031 7.732 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.141 9.216 -3.809 1.00 0.00 H new ATOM 386 N ILE A 25 -6.089 7.781 -2.691 1.00 0.00 N ATOM 387 CA ILE A 25 -5.397 7.835 -1.407 1.00 0.00 C ATOM 388 C ILE A 25 -5.534 9.209 -0.739 1.00 0.00 C ATOM 389 O ILE A 25 -4.641 10.056 -0.821 1.00 0.00 O ATOM 390 CB ILE A 25 -3.926 7.460 -1.615 1.00 0.00 C ATOM 391 CG1 ILE A 25 -3.884 6.085 -2.297 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.208 7.387 -0.264 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.437 5.624 -2.495 1.00 0.00 C ATOM 0 H ILE A 25 -5.502 7.982 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.860 7.118 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.428 8.209 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.424 5.357 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.390 6.136 -3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.163 7.120 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.264 8.357 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.685 6.632 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.429 4.648 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.908 6.344 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.942 5.552 -1.526 1.00 0.00 H new ATOM 405 N GLN A 26 -6.662 9.385 -0.041 1.00 0.00 N ATOM 406 CA GLN A 26 -6.950 10.617 0.699 1.00 0.00 C ATOM 407 C GLN A 26 -6.619 10.403 2.170 1.00 0.00 C ATOM 408 O GLN A 26 -6.373 11.348 2.921 1.00 0.00 O ATOM 409 CB GLN A 26 -8.427 10.990 0.555 1.00 0.00 C ATOM 410 CG GLN A 26 -8.697 11.463 -0.874 1.00 0.00 C ATOM 411 CD GLN A 26 -10.186 11.735 -1.056 1.00 0.00 C ATOM 412 OE1 GLN A 26 -10.932 11.779 -0.078 1.00 0.00 O ATOM 413 NE2 GLN A 26 -10.668 11.908 -2.256 1.00 0.00 N ATOM 0 H GLN A 26 -7.397 8.681 0.026 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.344 11.428 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.055 10.130 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.685 11.776 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.125 12.367 -1.082 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.367 10.706 -1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.048 11.871 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.665 12.080 -2.385 1.00 0.00 H new ATOM 422 N ASN A 27 -6.597 9.136 2.556 1.00 0.00 N ATOM 423 CA ASN A 27 -6.279 8.746 3.918 1.00 0.00 C ATOM 424 C ASN A 27 -5.604 7.392 3.879 1.00 0.00 C ATOM 425 O ASN A 27 -5.412 6.818 2.803 1.00 0.00 O ATOM 426 CB ASN A 27 -7.544 8.677 4.781 1.00 0.00 C ATOM 427 CG ASN A 27 -8.635 7.889 4.066 1.00 0.00 C ATOM 428 OD1 ASN A 27 -8.631 6.659 4.094 1.00 0.00 O ATOM 429 ND2 ASN A 27 -9.577 8.527 3.426 1.00 0.00 N ATOM 0 H ASN A 27 -6.799 8.353 1.935 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.617 9.489 4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.314 8.206 5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.898 9.685 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.312 8.006 2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.578 9.547 3.404 1.00 0.00 H new ATOM 436 N PHE A 28 -5.232 6.878 5.037 1.00 0.00 N ATOM 437 CA PHE A 28 -4.563 5.582 5.097 1.00 0.00 C ATOM 438 C PHE A 28 -5.525 4.511 5.586 1.00 0.00 C ATOM 439 O PHE A 28 -5.210 3.321 5.579 1.00 0.00 O ATOM 440 CB PHE A 28 -3.367 5.679 6.044 1.00 0.00 C ATOM 441 CG PHE A 28 -2.249 6.437 5.368 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.237 7.838 5.389 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.231 5.741 4.712 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.205 8.537 4.754 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.199 6.439 4.075 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.186 7.839 4.097 1.00 0.00 C ATOM 0 H PHE A 28 -5.377 7.328 5.941 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.221 5.308 4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.659 6.185 6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.028 4.681 6.322 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.024 8.378 5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.240 4.661 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.195 9.617 4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.586 5.899 3.567 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.610 8.380 3.607 1.00 0.00 H new ATOM 456 N SER A 29 -6.691 4.952 6.037 1.00 0.00 N ATOM 457 CA SER A 29 -7.707 4.046 6.580 1.00 0.00 C ATOM 458 C SER A 29 -8.843 3.772 5.597 1.00 0.00 C ATOM 459 O SER A 29 -8.967 2.675 5.054 1.00 0.00 O ATOM 460 CB SER A 29 -8.290 4.671 7.845 1.00 0.00 C ATOM 461 OG SER A 29 -8.941 5.888 7.507 1.00 0.00 O ATOM 0 H SER A 29 -6.962 5.935 6.040 1.00 0.00 H new ATOM 0 HA SER A 29 -7.221 3.093 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.996 3.984 8.312 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.499 4.857 8.571 1.00 0.00 H new ATOM 0 HG SER A 29 -9.319 6.293 8.316 1.00 0.00 H new ATOM 467 N SER A 30 -9.690 4.770 5.409 1.00 0.00 N ATOM 468 CA SER A 30 -10.848 4.639 4.528 1.00 0.00 C ATOM 469 C SER A 30 -10.456 4.305 3.098 1.00 0.00 C ATOM 470 O SER A 30 -11.101 3.484 2.447 1.00 0.00 O ATOM 471 CB SER A 30 -11.648 5.942 4.525 1.00 0.00 C ATOM 472 OG SER A 30 -12.153 6.186 5.830 1.00 0.00 O ATOM 0 H SER A 30 -9.601 5.684 5.854 1.00 0.00 H new ATOM 0 HA SER A 30 -11.449 3.816 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.015 6.770 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.469 5.876 3.811 1.00 0.00 H new ATOM 0 HG SER A 30 -12.665 7.022 5.832 1.00 0.00 H new ATOM 478 N SER A 31 -9.422 4.953 2.603 1.00 0.00 N ATOM 479 CA SER A 31 -8.988 4.723 1.237 1.00 0.00 C ATOM 480 C SER A 31 -8.336 3.354 1.090 1.00 0.00 C ATOM 481 O SER A 31 -7.855 2.998 0.013 1.00 0.00 O ATOM 482 CB SER A 31 -8.014 5.814 0.810 1.00 0.00 C ATOM 483 OG SER A 31 -7.413 5.434 -0.416 1.00 0.00 O ATOM 0 H SER A 31 -8.869 5.638 3.119 1.00 0.00 H new ATOM 0 HA SER A 31 -9.866 4.751 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.537 6.764 0.696 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.251 5.960 1.575 1.00 0.00 H new ATOM 0 HG SER A 31 -7.978 5.725 -1.162 1.00 0.00 H new ATOM 489 N TRP A 32 -8.311 2.589 2.180 1.00 0.00 N ATOM 490 CA TRP A 32 -7.706 1.260 2.176 1.00 0.00 C ATOM 491 C TRP A 32 -8.738 0.169 2.468 1.00 0.00 C ATOM 492 O TRP A 32 -8.429 -1.020 2.386 1.00 0.00 O ATOM 493 CB TRP A 32 -6.627 1.230 3.245 1.00 0.00 C ATOM 494 CG TRP A 32 -5.502 2.098 2.827 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.578 3.436 2.678 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.140 1.720 2.507 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.345 3.906 2.275 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.421 2.884 2.164 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.468 0.492 2.482 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.076 2.832 1.811 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.113 0.432 2.120 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.419 1.600 1.789 1.00 0.00 C ATOM 0 H TRP A 32 -8.704 2.868 3.079 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.289 1.065 1.188 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.032 1.573 4.197 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.277 0.209 3.397 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.458 4.039 2.846 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.141 4.887 2.083 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.995 -0.414 2.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.545 3.737 1.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.604 -0.520 2.097 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.375 1.549 1.516 1.00 0.00 H new ATOM 513 N SER A 33 -9.952 0.571 2.830 1.00 0.00 N ATOM 514 CA SER A 33 -10.997 -0.389 3.150 1.00 0.00 C ATOM 515 C SER A 33 -11.243 -1.353 1.993 1.00 0.00 C ATOM 516 O SER A 33 -11.613 -2.506 2.211 1.00 0.00 O ATOM 517 CB SER A 33 -12.292 0.347 3.476 1.00 0.00 C ATOM 518 OG SER A 33 -12.768 0.999 2.307 1.00 0.00 O ATOM 0 H SER A 33 -10.233 1.548 2.908 1.00 0.00 H new ATOM 0 HA SER A 33 -10.667 -0.966 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.040 -0.355 3.845 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.120 1.076 4.268 1.00 0.00 H new ATOM 0 HG SER A 33 -12.298 1.851 2.194 1.00 0.00 H new ATOM 524 N SER A 34 -11.051 -0.881 0.764 1.00 0.00 N ATOM 525 CA SER A 34 -11.270 -1.722 -0.409 1.00 0.00 C ATOM 526 C SER A 34 -10.176 -2.775 -0.565 1.00 0.00 C ATOM 527 O SER A 34 -10.373 -3.786 -1.235 1.00 0.00 O ATOM 528 CB SER A 34 -11.303 -0.848 -1.667 1.00 0.00 C ATOM 529 OG SER A 34 -11.888 0.405 -1.350 1.00 0.00 O ATOM 0 H SER A 34 -10.747 0.070 0.555 1.00 0.00 H new ATOM 0 HA SER A 34 -12.222 -2.236 -0.274 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.293 -0.704 -2.051 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.875 -1.342 -2.452 1.00 0.00 H new ATOM 0 HG SER A 34 -11.910 0.968 -2.152 1.00 0.00 H new ATOM 535 N GLY A 35 -9.014 -2.516 0.019 1.00 0.00 N ATOM 536 CA GLY A 35 -7.897 -3.441 -0.111 1.00 0.00 C ATOM 537 C GLY A 35 -7.258 -3.257 -1.475 1.00 0.00 C ATOM 538 O GLY A 35 -6.167 -3.756 -1.748 1.00 0.00 O ATOM 0 H GLY A 35 -8.821 -1.686 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.164 -3.259 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.243 -4.468 0.007 1.00 0.00 H new ATOM 542 N MET A 36 -7.964 -2.509 -2.316 1.00 0.00 N ATOM 543 CA MET A 36 -7.504 -2.208 -3.659 1.00 0.00 C ATOM 544 C MET A 36 -6.203 -1.413 -3.601 1.00 0.00 C ATOM 545 O MET A 36 -5.397 -1.457 -4.529 1.00 0.00 O ATOM 546 CB MET A 36 -8.577 -1.401 -4.396 1.00 0.00 C ATOM 547 CG MET A 36 -9.883 -2.203 -4.449 1.00 0.00 C ATOM 548 SD MET A 36 -11.211 -1.165 -5.116 1.00 0.00 S ATOM 549 CE MET A 36 -10.987 -1.599 -6.857 1.00 0.00 C ATOM 0 H MET A 36 -8.868 -2.097 -2.083 1.00 0.00 H new ATOM 0 HA MET A 36 -7.321 -3.140 -4.194 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.743 -0.451 -3.889 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.241 -1.169 -5.406 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.752 -3.088 -5.072 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.148 -2.552 -3.451 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.919 -1.432 -7.396 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.202 -0.978 -7.289 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.704 -2.649 -6.937 1.00 0.00 H new ATOM 559 N ALA A 37 -6.014 -0.674 -2.511 1.00 0.00 N ATOM 560 CA ALA A 37 -4.809 0.137 -2.355 1.00 0.00 C ATOM 561 C ALA A 37 -3.565 -0.737 -2.167 1.00 0.00 C ATOM 562 O ALA A 37 -2.554 -0.534 -2.841 1.00 0.00 O ATOM 563 CB ALA A 37 -4.965 1.084 -1.168 1.00 0.00 C ATOM 0 H ALA A 37 -6.670 -0.619 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.677 0.718 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.061 1.684 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.819 1.740 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.126 0.505 -0.259 1.00 0.00 H new ATOM 569 N PHE A 38 -3.628 -1.697 -1.243 1.00 0.00 N ATOM 570 CA PHE A 38 -2.476 -2.566 -0.988 1.00 0.00 C ATOM 571 C PHE A 38 -2.065 -3.321 -2.253 1.00 0.00 C ATOM 572 O PHE A 38 -0.883 -3.393 -2.584 1.00 0.00 O ATOM 573 CB PHE A 38 -2.805 -3.576 0.145 1.00 0.00 C ATOM 574 CG PHE A 38 -2.169 -3.130 1.449 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.776 -3.075 1.547 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.963 -2.778 2.545 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.173 -2.668 2.739 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.357 -2.371 3.743 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.962 -2.316 3.838 1.00 0.00 C ATOM 0 H PHE A 38 -4.448 -1.891 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.642 -1.936 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.885 -3.656 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.441 -4.567 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.165 -3.348 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.040 -2.819 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.904 -2.625 2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.967 -2.100 4.592 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.495 -2.002 4.760 1.00 0.00 H new ATOM 589 N CYS A 39 -3.037 -3.890 -2.949 1.00 0.00 N ATOM 590 CA CYS A 39 -2.739 -4.640 -4.163 1.00 0.00 C ATOM 591 C CYS A 39 -2.185 -3.723 -5.251 1.00 0.00 C ATOM 592 O CYS A 39 -1.196 -4.049 -5.908 1.00 0.00 O ATOM 593 CB CYS A 39 -4.013 -5.328 -4.670 1.00 0.00 C ATOM 594 SG CYS A 39 -4.193 -6.944 -3.872 1.00 0.00 S ATOM 0 H CYS A 39 -4.025 -3.849 -2.701 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.984 -5.389 -3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.883 -4.707 -4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.966 -5.449 -5.752 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.752 -6.793 -2.708 1.00 0.00 H new ATOM 600 N ALA A 40 -2.854 -2.594 -5.449 1.00 0.00 N ATOM 601 CA ALA A 40 -2.464 -1.633 -6.476 1.00 0.00 C ATOM 602 C ALA A 40 -1.083 -1.031 -6.215 1.00 0.00 C ATOM 603 O ALA A 40 -0.289 -0.861 -7.139 1.00 0.00 O ATOM 604 CB ALA A 40 -3.495 -0.508 -6.514 1.00 0.00 C ATOM 0 H ALA A 40 -3.674 -2.319 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.420 -2.162 -7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.214 0.217 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.476 -0.921 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.532 -0.015 -5.542 1.00 0.00 H new ATOM 610 N LEU A 41 -0.816 -0.689 -4.962 1.00 0.00 N ATOM 611 CA LEU A 41 0.460 -0.080 -4.594 1.00 0.00 C ATOM 612 C LEU A 41 1.622 -1.045 -4.856 1.00 0.00 C ATOM 613 O LEU A 41 2.661 -0.657 -5.385 1.00 0.00 O ATOM 614 CB LEU A 41 0.399 0.316 -3.114 1.00 0.00 C ATOM 615 CG LEU A 41 1.674 1.048 -2.678 1.00 0.00 C ATOM 616 CD1 LEU A 41 1.783 2.407 -3.389 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.618 1.263 -1.160 1.00 0.00 C ATOM 0 H LEU A 41 -1.462 -0.821 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 41 0.635 0.806 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.467 0.956 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.262 -0.576 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 41 2.546 0.450 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.693 2.913 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.815 2.252 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.918 3.020 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.518 1.783 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.742 1.861 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.554 0.298 -0.658 1.00 0.00 H new ATOM 629 N ILE A 42 1.425 -2.304 -4.492 1.00 0.00 N ATOM 630 CA ILE A 42 2.441 -3.340 -4.693 1.00 0.00 C ATOM 631 C ILE A 42 2.687 -3.607 -6.183 1.00 0.00 C ATOM 632 O ILE A 42 3.819 -3.830 -6.601 1.00 0.00 O ATOM 633 CB ILE A 42 1.985 -4.635 -3.979 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.262 -4.527 -2.467 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.696 -5.874 -4.543 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.775 -4.399 -2.171 1.00 0.00 C ATOM 0 H ILE A 42 0.567 -2.639 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 42 3.383 -2.994 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 42 0.915 -4.749 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.737 -3.662 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.865 -5.407 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.350 -6.763 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.471 -5.970 -5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.772 -5.769 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.930 -4.325 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.296 -5.277 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.166 -3.505 -2.656 1.00 0.00 H new ATOM 648 N HIS A 43 1.613 -3.614 -6.960 1.00 0.00 N ATOM 649 CA HIS A 43 1.708 -3.888 -8.393 1.00 0.00 C ATOM 650 C HIS A 43 2.656 -2.902 -9.078 1.00 0.00 C ATOM 651 O HIS A 43 3.439 -3.275 -9.951 1.00 0.00 O ATOM 652 CB HIS A 43 0.311 -3.797 -9.012 1.00 0.00 C ATOM 653 CG HIS A 43 0.376 -4.115 -10.479 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.156 -3.154 -11.453 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.617 -5.286 -11.155 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.265 -3.759 -12.651 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.545 -5.058 -12.526 1.00 0.00 N ATOM 0 H HIS A 43 0.666 -3.434 -6.626 1.00 0.00 H new ATOM 0 HA HIS A 43 2.111 -4.891 -8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.364 -4.491 -8.511 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.096 -2.796 -8.866 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.830 -6.239 -10.693 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.141 -3.255 -13.598 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.678 -5.738 -13.275 1.00 0.00 H new ATOM 665 N LYS A 44 2.545 -1.639 -8.696 1.00 0.00 N ATOM 666 CA LYS A 44 3.360 -0.585 -9.289 1.00 0.00 C ATOM 667 C LYS A 44 4.837 -0.977 -9.311 1.00 0.00 C ATOM 668 O LYS A 44 5.570 -0.646 -10.245 1.00 0.00 O ATOM 669 CB LYS A 44 3.197 0.713 -8.465 1.00 0.00 C ATOM 670 CG LYS A 44 3.354 1.956 -9.366 1.00 0.00 C ATOM 671 CD LYS A 44 4.827 2.375 -9.449 1.00 0.00 C ATOM 672 CE LYS A 44 5.029 3.274 -10.663 1.00 0.00 C ATOM 673 NZ LYS A 44 4.717 2.506 -11.899 1.00 0.00 N ATOM 0 H LYS A 44 1.898 -1.317 -7.977 1.00 0.00 H new ATOM 0 HA LYS A 44 3.025 -0.430 -10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.217 0.726 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.940 0.739 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.974 1.739 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.758 2.778 -8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.119 2.901 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.464 1.494 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.384 4.150 -10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.057 3.636 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.329 2.832 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.882 1.493 -11.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.721 2.656 -12.159 1.00 0.00 H new ATOM 687 N PHE A 45 5.273 -1.668 -8.266 1.00 0.00 N ATOM 688 CA PHE A 45 6.671 -2.077 -8.148 1.00 0.00 C ATOM 689 C PHE A 45 6.906 -3.484 -8.695 1.00 0.00 C ATOM 690 O PHE A 45 8.006 -3.805 -9.146 1.00 0.00 O ATOM 691 CB PHE A 45 7.077 -2.027 -6.672 1.00 0.00 C ATOM 692 CG PHE A 45 6.404 -0.853 -5.987 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.387 0.413 -6.594 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.801 -1.032 -4.735 1.00 0.00 C ATOM 695 CE1 PHE A 45 5.767 1.491 -5.944 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.184 0.043 -4.093 1.00 0.00 C ATOM 697 CZ PHE A 45 5.166 1.305 -4.695 1.00 0.00 C ATOM 0 H PHE A 45 4.681 -1.958 -7.487 1.00 0.00 H new ATOM 0 HA PHE A 45 7.277 -1.391 -8.740 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.796 -2.957 -6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.160 -1.936 -6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.850 0.557 -7.559 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.814 -2.004 -4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.754 2.466 -6.409 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.719 -0.100 -3.129 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.688 2.135 -4.196 1.00 0.00 H new ATOM 707 N PHE A 46 5.886 -4.332 -8.619 1.00 0.00 N ATOM 708 CA PHE A 46 6.006 -5.718 -9.073 1.00 0.00 C ATOM 709 C PHE A 46 4.990 -6.042 -10.182 1.00 0.00 C ATOM 710 O PHE A 46 3.824 -6.286 -9.890 1.00 0.00 O ATOM 711 CB PHE A 46 5.768 -6.611 -7.857 1.00 0.00 C ATOM 712 CG PHE A 46 6.843 -6.327 -6.843 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.096 -6.929 -6.970 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.594 -5.449 -5.782 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.100 -6.658 -6.038 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.598 -5.176 -4.850 1.00 0.00 C ATOM 717 CZ PHE A 46 8.849 -5.780 -4.977 1.00 0.00 C ATOM 0 H PHE A 46 4.968 -4.087 -8.249 1.00 0.00 H new ATOM 0 HA PHE A 46 6.996 -5.885 -9.498 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.784 -6.417 -7.431 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.788 -7.661 -8.148 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.289 -7.605 -7.790 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.625 -4.982 -5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.069 -7.125 -6.136 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.406 -4.498 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.625 -5.570 -4.256 1.00 0.00 H new ATOM 727 N PRO A 47 5.387 -6.054 -11.448 1.00 0.00 N ATOM 728 CA PRO A 47 4.447 -6.367 -12.567 1.00 0.00 C ATOM 729 C PRO A 47 4.128 -7.863 -12.637 1.00 0.00 C ATOM 730 O PRO A 47 2.984 -8.257 -12.867 1.00 0.00 O ATOM 731 CB PRO A 47 5.187 -5.903 -13.847 1.00 0.00 C ATOM 732 CG PRO A 47 6.513 -5.344 -13.403 1.00 0.00 C ATOM 733 CD PRO A 47 6.742 -5.783 -11.956 1.00 0.00 C ATOM 0 HA PRO A 47 3.487 -5.867 -12.436 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.329 -6.736 -14.535 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.607 -5.148 -14.377 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.316 -5.708 -14.045 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.514 -4.257 -13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.373 -6.670 -11.903 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.237 -5.004 -11.376 1.00 0.00 H new ATOM 741 N GLU A 48 5.153 -8.679 -12.433 1.00 0.00 N ATOM 742 CA GLU A 48 4.983 -10.125 -12.470 1.00 0.00 C ATOM 743 C GLU A 48 4.037 -10.532 -11.347 1.00 0.00 C ATOM 744 O GLU A 48 3.570 -11.669 -11.275 1.00 0.00 O ATOM 745 CB GLU A 48 6.346 -10.818 -12.309 1.00 0.00 C ATOM 746 CG GLU A 48 6.193 -12.319 -12.577 1.00 0.00 C ATOM 747 CD GLU A 48 7.552 -13.007 -12.512 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.552 -12.308 -12.526 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.573 -14.225 -12.452 1.00 0.00 O ATOM 0 H GLU A 48 6.105 -8.367 -12.241 1.00 0.00 H new ATOM 0 HA GLU A 48 4.561 -10.429 -13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.069 -10.386 -13.001 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.732 -10.655 -11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.519 -12.760 -11.843 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.744 -12.477 -13.558 1.00 0.00 H new ATOM 756 N ALA A 49 3.775 -9.568 -10.471 1.00 0.00 N ATOM 757 CA ALA A 49 2.897 -9.775 -9.321 1.00 0.00 C ATOM 758 C ALA A 49 1.578 -10.400 -9.718 1.00 0.00 C ATOM 759 O ALA A 49 1.338 -11.587 -9.508 1.00 0.00 O ATOM 760 CB ALA A 49 2.601 -8.433 -8.659 1.00 0.00 C ATOM 0 H ALA A 49 4.162 -8.626 -10.536 1.00 0.00 H new ATOM 0 HA ALA A 49 3.413 -10.450 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.946 -8.587 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.534 -7.978 -8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.111 -7.774 -9.376 1.00 0.00 H new ATOM 766 N PHE A 50 0.728 -9.576 -10.304 1.00 0.00 N ATOM 767 CA PHE A 50 -0.577 -10.011 -10.750 1.00 0.00 C ATOM 768 C PHE A 50 -1.209 -8.929 -11.616 1.00 0.00 C ATOM 769 O PHE A 50 -0.795 -7.770 -11.583 1.00 0.00 O ATOM 770 CB PHE A 50 -1.479 -10.306 -9.546 1.00 0.00 C ATOM 771 CG PHE A 50 -1.290 -9.238 -8.490 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.944 -8.004 -8.610 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.463 -9.483 -7.385 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.770 -7.020 -7.627 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.289 -8.498 -6.403 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.943 -7.265 -6.525 1.00 0.00 C ATOM 0 H PHE A 50 0.925 -8.591 -10.482 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.465 -10.924 -11.335 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.522 -10.339 -9.861 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.240 -11.286 -9.132 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.582 -7.811 -9.460 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.041 -10.433 -7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.276 -6.070 -7.720 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.349 -8.689 -5.553 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.809 -6.505 -5.770 1.00 0.00 H new ATOM 786 N ASP A 51 -2.233 -9.308 -12.363 1.00 0.00 N ATOM 787 CA ASP A 51 -2.941 -8.358 -13.212 1.00 0.00 C ATOM 788 C ASP A 51 -3.983 -7.619 -12.377 1.00 0.00 C ATOM 789 O ASP A 51 -5.093 -8.111 -12.171 1.00 0.00 O ATOM 790 CB ASP A 51 -3.628 -9.091 -14.366 1.00 0.00 C ATOM 791 CG ASP A 51 -2.593 -9.586 -15.370 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.466 -9.125 -15.309 1.00 0.00 O ATOM 793 OD2 ASP A 51 -2.946 -10.420 -16.187 1.00 0.00 O ATOM 0 H ASP A 51 -2.593 -10.262 -12.400 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.228 -7.645 -13.626 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.202 -9.933 -13.980 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.334 -8.424 -14.860 1.00 0.00 H new ATOM 798 N TYR A 52 -3.613 -6.441 -11.879 1.00 0.00 N ATOM 799 CA TYR A 52 -4.511 -5.646 -11.049 1.00 0.00 C ATOM 800 C TYR A 52 -5.765 -5.269 -11.810 1.00 0.00 C ATOM 801 O TYR A 52 -6.783 -4.921 -11.215 1.00 0.00 O ATOM 802 CB TYR A 52 -3.803 -4.367 -10.607 1.00 0.00 C ATOM 803 CG TYR A 52 -4.766 -3.470 -9.853 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.006 -3.685 -8.492 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.423 -2.429 -10.523 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.902 -2.859 -7.800 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.318 -1.603 -9.829 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.557 -1.819 -8.468 1.00 0.00 C ATOM 809 OH TYR A 52 -7.440 -1.006 -7.785 1.00 0.00 O ATOM 0 H TYR A 52 -2.698 -6.018 -12.036 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.789 -6.246 -10.182 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.952 -4.614 -9.972 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.410 -3.841 -11.477 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.501 -4.487 -7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.240 -2.263 -11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.087 -3.026 -6.749 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.823 -0.800 -10.345 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.806 -0.334 -8.397 1.00 0.00 H new ATOM 819 N ALA A 53 -5.685 -5.341 -13.123 1.00 0.00 N ATOM 820 CA ALA A 53 -6.822 -5.001 -13.963 1.00 0.00 C ATOM 821 C ALA A 53 -7.789 -6.173 -14.054 1.00 0.00 C ATOM 822 O ALA A 53 -8.919 -6.019 -14.521 1.00 0.00 O ATOM 823 CB ALA A 53 -6.333 -4.624 -15.360 1.00 0.00 C ATOM 0 H ALA A 53 -4.850 -5.630 -13.632 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.345 -4.154 -13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.187 -4.370 -15.988 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.664 -3.766 -15.292 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.799 -5.467 -15.798 1.00 0.00 H new ATOM 829 N GLU A 54 -7.335 -7.348 -13.627 1.00 0.00 N ATOM 830 CA GLU A 54 -8.158 -8.552 -13.676 1.00 0.00 C ATOM 831 C GLU A 54 -8.850 -8.783 -12.342 1.00 0.00 C ATOM 832 O GLU A 54 -9.783 -9.577 -12.250 1.00 0.00 O ATOM 833 CB GLU A 54 -7.252 -9.752 -13.987 1.00 0.00 C ATOM 834 CG GLU A 54 -7.982 -10.749 -14.889 1.00 0.00 C ATOM 835 CD GLU A 54 -9.227 -11.278 -14.182 1.00 0.00 C ATOM 836 OE1 GLU A 54 -9.085 -11.813 -13.094 1.00 0.00 O ATOM 837 OE2 GLU A 54 -10.302 -11.142 -14.740 1.00 0.00 O ATOM 0 H GLU A 54 -6.401 -7.492 -13.243 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.919 -8.434 -14.447 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.339 -9.410 -14.475 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.954 -10.241 -13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.263 -10.267 -15.825 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.319 -11.576 -15.143 1.00 0.00 H new ATOM 844 N LEU A 55 -8.380 -8.096 -11.307 1.00 0.00 N ATOM 845 CA LEU A 55 -8.953 -8.241 -9.982 1.00 0.00 C ATOM 846 C LEU A 55 -10.205 -7.392 -9.834 1.00 0.00 C ATOM 847 O LEU A 55 -10.366 -6.377 -10.513 1.00 0.00 O ATOM 848 CB LEU A 55 -7.903 -7.834 -8.946 1.00 0.00 C ATOM 849 CG LEU A 55 -6.858 -8.956 -8.798 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.668 -8.453 -7.967 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.495 -10.187 -8.110 1.00 0.00 C ATOM 0 H LEU A 55 -7.605 -7.435 -11.364 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.242 -9.280 -9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.416 -6.908 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.381 -7.640 -7.986 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.507 -9.246 -9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.932 -9.251 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.211 -7.599 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.016 -8.152 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.748 -10.975 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.859 -9.904 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.327 -10.550 -8.713 1.00 0.00 H new ATOM 863 N ASP A 56 -11.099 -7.830 -8.947 1.00 0.00 N ATOM 864 CA ASP A 56 -12.357 -7.132 -8.708 1.00 0.00 C ATOM 865 C ASP A 56 -12.489 -6.763 -7.221 1.00 0.00 C ATOM 866 O ASP A 56 -11.751 -7.291 -6.384 1.00 0.00 O ATOM 867 CB ASP A 56 -13.514 -8.053 -9.130 1.00 0.00 C ATOM 868 CG ASP A 56 -13.375 -8.443 -10.596 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.823 -7.681 -11.435 1.00 0.00 O ATOM 870 OD2 ASP A 56 -12.846 -9.512 -10.854 1.00 0.00 O ATOM 0 H ASP A 56 -10.972 -8.669 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.384 -6.211 -9.290 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.520 -8.948 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.466 -7.547 -8.970 1.00 0.00 H new ATOM 875 N PRO A 57 -13.408 -5.887 -6.865 1.00 0.00 N ATOM 876 CA PRO A 57 -13.618 -5.485 -5.444 1.00 0.00 C ATOM 877 C PRO A 57 -14.321 -6.602 -4.684 1.00 0.00 C ATOM 878 O PRO A 57 -14.410 -6.582 -3.455 1.00 0.00 O ATOM 879 CB PRO A 57 -14.494 -4.209 -5.515 1.00 0.00 C ATOM 880 CG PRO A 57 -14.748 -3.941 -6.977 1.00 0.00 C ATOM 881 CD PRO A 57 -14.356 -5.197 -7.752 1.00 0.00 C ATOM 0 HA PRO A 57 -12.683 -5.296 -4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.432 -4.353 -4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.987 -3.364 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.797 -3.699 -7.145 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.165 -3.084 -7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.225 -5.819 -7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.897 -4.948 -8.709 1.00 0.00 H new ATOM 889 N ALA A 58 -14.825 -7.563 -5.441 1.00 0.00 N ATOM 890 CA ALA A 58 -15.529 -8.702 -4.865 1.00 0.00 C ATOM 891 C ALA A 58 -14.560 -9.584 -4.086 1.00 0.00 C ATOM 892 O ALA A 58 -14.872 -10.062 -2.996 1.00 0.00 O ATOM 893 CB ALA A 58 -16.168 -9.521 -5.988 1.00 0.00 C ATOM 0 H ALA A 58 -14.760 -7.579 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.299 -8.337 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.696 -10.374 -5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.872 -8.897 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.392 -9.876 -6.666 1.00 0.00 H new ATOM 899 N LYS A 59 -13.387 -9.793 -4.672 1.00 0.00 N ATOM 900 CA LYS A 59 -12.351 -10.627 -4.066 1.00 0.00 C ATOM 901 C LYS A 59 -11.479 -9.817 -3.108 1.00 0.00 C ATOM 902 O LYS A 59 -10.268 -9.704 -3.303 1.00 0.00 O ATOM 903 CB LYS A 59 -11.477 -11.216 -5.179 1.00 0.00 C ATOM 904 CG LYS A 59 -12.332 -12.049 -6.148 1.00 0.00 C ATOM 905 CD LYS A 59 -12.872 -13.302 -5.441 1.00 0.00 C ATOM 906 CE LYS A 59 -13.335 -14.322 -6.482 1.00 0.00 C ATOM 907 NZ LYS A 59 -14.542 -13.797 -7.180 1.00 0.00 N ATOM 0 H LYS A 59 -13.126 -9.394 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.831 -11.422 -3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.979 -10.413 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.696 -11.840 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.161 -11.448 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.735 -12.340 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.097 -13.738 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.702 -13.033 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.538 -14.512 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.564 -15.273 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.930 -14.533 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.259 -13.525 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.281 -12.966 -7.748 1.00 0.00 H new ATOM 921 N ARG A 60 -12.099 -9.247 -2.076 1.00 0.00 N ATOM 922 CA ARG A 60 -11.359 -8.440 -1.106 1.00 0.00 C ATOM 923 C ARG A 60 -10.430 -9.296 -0.236 1.00 0.00 C ATOM 924 O ARG A 60 -9.252 -8.977 -0.074 1.00 0.00 O ATOM 925 CB ARG A 60 -12.347 -7.679 -0.214 1.00 0.00 C ATOM 926 CG ARG A 60 -11.577 -6.754 0.729 1.00 0.00 C ATOM 927 CD ARG A 60 -12.561 -5.950 1.578 1.00 0.00 C ATOM 928 NE ARG A 60 -13.482 -5.220 0.718 1.00 0.00 N ATOM 929 CZ ARG A 60 -14.643 -4.766 1.179 1.00 0.00 C ATOM 930 NH1 ARG A 60 -14.672 -4.015 2.244 1.00 0.00 N ATOM 931 NH2 ARG A 60 -15.752 -5.075 0.566 1.00 0.00 N ATOM 0 H ARG A 60 -13.099 -9.327 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.736 -7.739 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.035 -7.098 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.950 -8.382 0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.920 -7.339 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.942 -6.080 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.117 -6.618 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.018 -5.254 2.217 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.231 -5.054 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.804 -3.776 2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.563 -3.666 2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.728 -5.664 -0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.644 -4.727 0.919 1.00 0.00 H new ATOM 945 N ARG A 61 -10.961 -10.351 0.357 1.00 0.00 N ATOM 946 CA ARG A 61 -10.148 -11.193 1.236 1.00 0.00 C ATOM 947 C ARG A 61 -8.873 -11.618 0.524 1.00 0.00 C ATOM 948 O ARG A 61 -7.769 -11.495 1.059 1.00 0.00 O ATOM 949 CB ARG A 61 -10.927 -12.454 1.596 1.00 0.00 C ATOM 950 CG ARG A 61 -12.240 -12.075 2.276 1.00 0.00 C ATOM 951 CD ARG A 61 -13.065 -13.335 2.534 1.00 0.00 C ATOM 952 NE ARG A 61 -12.407 -14.169 3.536 1.00 0.00 N ATOM 953 CZ ARG A 61 -12.599 -13.966 4.837 1.00 0.00 C ATOM 954 NH1 ARG A 61 -13.788 -14.118 5.353 1.00 0.00 N ATOM 955 NH2 ARG A 61 -11.597 -13.611 5.596 1.00 0.00 N ATOM 0 H ARG A 61 -11.932 -10.646 0.253 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.903 -10.622 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.128 -13.037 0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.332 -13.083 2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.039 -11.561 3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.801 -11.383 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.063 -13.062 2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.188 -13.895 1.607 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.789 -14.921 3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.570 -14.393 4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.935 -13.962 6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.669 -13.490 5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.743 -13.455 6.593 1.00 0.00 H new ATOM 969 N HIS A 62 -9.043 -12.115 -0.689 1.00 0.00 N ATOM 970 CA HIS A 62 -7.925 -12.566 -1.492 1.00 0.00 C ATOM 971 C HIS A 62 -7.004 -11.405 -1.849 1.00 0.00 C ATOM 972 O HIS A 62 -5.794 -11.582 -1.970 1.00 0.00 O ATOM 973 CB HIS A 62 -8.458 -13.217 -2.765 1.00 0.00 C ATOM 974 CG HIS A 62 -9.024 -14.580 -2.446 1.00 0.00 C ATOM 975 ND1 HIS A 62 -9.124 -15.582 -3.398 1.00 0.00 N ATOM 976 CD2 HIS A 62 -9.528 -15.116 -1.286 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.669 -16.658 -2.800 1.00 0.00 C ATOM 978 NE2 HIS A 62 -9.933 -16.428 -1.511 1.00 0.00 N ATOM 0 H HIS A 62 -9.952 -12.216 -1.140 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.347 -13.289 -0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.229 -12.588 -3.210 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.658 -13.308 -3.500 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -9.599 -14.597 -0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -9.869 -17.593 -3.302 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.343 -17.075 -0.837 1.00 0.00 H new ATOM 986 N ASN A 63 -7.590 -10.230 -2.030 1.00 0.00 N ATOM 987 CA ASN A 63 -6.821 -9.037 -2.392 1.00 0.00 C ATOM 988 C ASN A 63 -5.825 -8.693 -1.305 1.00 0.00 C ATOM 989 O ASN A 63 -4.677 -8.346 -1.584 1.00 0.00 O ATOM 990 CB ASN A 63 -7.771 -7.857 -2.590 1.00 0.00 C ATOM 991 CG ASN A 63 -7.024 -6.617 -3.080 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.214 -6.044 -2.350 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.270 -6.159 -4.276 1.00 0.00 N ATOM 0 H ASN A 63 -8.593 -10.072 -1.933 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.280 -9.242 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.544 -8.127 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.276 -7.632 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.791 -5.323 -4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.942 -6.637 -4.877 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.259 -8.810 -0.064 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.369 -8.519 1.050 1.00 0.00 C ATOM 1002 C PHE A 64 -4.285 -9.593 1.139 1.00 0.00 C ATOM 1003 O PHE A 64 -3.093 -9.286 1.142 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.163 -8.436 2.364 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.760 -7.049 2.524 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -5.951 -5.984 2.948 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.113 -6.829 2.255 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.497 -4.705 3.100 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.659 -5.547 2.408 1.00 0.00 C ATOM 1010 CZ PHE A 64 -7.851 -4.487 2.830 1.00 0.00 C ATOM 0 H PHE A 64 -7.202 -9.098 0.198 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.892 -7.553 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.955 -9.184 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.510 -8.659 3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.905 -6.152 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.739 -7.647 1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.873 -3.886 3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.705 -5.378 2.200 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.273 -3.500 2.947 1.00 0.00 H new ATOM 1020 N THR A 65 -4.705 -10.853 1.195 1.00 0.00 N ATOM 1021 CA THR A 65 -3.747 -11.947 1.270 1.00 0.00 C ATOM 1022 C THR A 65 -2.754 -11.832 0.125 1.00 0.00 C ATOM 1023 O THR A 65 -1.557 -12.055 0.298 1.00 0.00 O ATOM 1024 CB THR A 65 -4.454 -13.305 1.181 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.544 -13.339 2.091 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.461 -14.418 1.525 1.00 0.00 C ATOM 0 H THR A 65 -5.685 -11.137 1.190 1.00 0.00 H new ATOM 0 HA THR A 65 -3.230 -11.882 2.228 1.00 0.00 H new ATOM 0 HB THR A 65 -4.829 -13.452 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.315 -12.882 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.961 -15.384 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.629 -14.394 0.821 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.084 -14.269 2.537 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.273 -11.496 -1.046 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.448 -11.363 -2.236 1.00 0.00 C ATOM 1036 C LEU A 66 -1.371 -10.308 -2.039 1.00 0.00 C ATOM 1037 O LEU A 66 -0.201 -10.554 -2.315 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.348 -10.953 -3.403 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.546 -10.776 -4.698 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -2.040 -12.134 -5.197 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.470 -10.158 -5.748 1.00 0.00 C ATOM 0 H LEU A 66 -4.264 -11.310 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.958 -12.316 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.119 -11.709 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.858 -10.021 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.686 -10.131 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.472 -11.995 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.399 -12.584 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.889 -12.790 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.922 -10.022 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.319 -10.819 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.829 -9.192 -5.394 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.765 -9.135 -1.578 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.801 -8.072 -1.380 1.00 0.00 C ATOM 1055 C ALA A 67 0.281 -8.527 -0.424 1.00 0.00 C ATOM 1056 O ALA A 67 1.452 -8.174 -0.572 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.490 -6.839 -0.812 1.00 0.00 C ATOM 0 H ALA A 67 -2.728 -8.898 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.354 -7.823 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.756 -6.046 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.259 -6.499 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.949 -7.087 0.145 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.116 -9.318 0.563 1.00 0.00 N ATOM 1064 CA PHE A 68 0.830 -9.816 1.546 1.00 0.00 C ATOM 1065 C PHE A 68 1.571 -11.046 1.028 1.00 0.00 C ATOM 1066 O PHE A 68 2.799 -11.077 1.033 1.00 0.00 O ATOM 1067 CB PHE A 68 0.096 -10.139 2.856 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.565 -8.883 3.416 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.207 -7.751 3.719 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.955 -8.854 3.639 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.404 -6.602 4.238 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.560 -7.702 4.161 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.785 -6.577 4.461 1.00 0.00 C ATOM 0 H PHE A 68 -1.079 -9.625 0.702 1.00 0.00 H new ATOM 0 HA PHE A 68 1.572 -9.040 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.657 -10.907 2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.799 -10.544 3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.274 -7.766 3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.556 -9.721 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.194 -5.732 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.626 -7.683 4.332 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.252 -5.690 4.864 1.00 0.00 H new ATOM 1083 N SER A 69 0.832 -12.048 0.573 1.00 0.00 N ATOM 1084 CA SER A 69 1.462 -13.258 0.055 1.00 0.00 C ATOM 1085 C SER A 69 2.369 -12.939 -1.130 1.00 0.00 C ATOM 1086 O SER A 69 3.395 -13.596 -1.331 1.00 0.00 O ATOM 1087 CB SER A 69 0.398 -14.274 -0.374 1.00 0.00 C ATOM 1088 OG SER A 69 -0.210 -14.835 0.782 1.00 0.00 O ATOM 0 H SER A 69 -0.188 -12.051 0.551 1.00 0.00 H new ATOM 0 HA SER A 69 2.068 -13.685 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.355 -13.789 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.852 -15.060 -0.978 1.00 0.00 H new ATOM 0 HG SER A 69 -0.774 -15.593 0.520 1.00 0.00 H new ATOM 1094 N THR A 70 2.008 -11.913 -1.897 1.00 0.00 N ATOM 1095 CA THR A 70 2.831 -11.518 -3.027 1.00 0.00 C ATOM 1096 C THR A 70 4.054 -10.743 -2.544 1.00 0.00 C ATOM 1097 O THR A 70 5.185 -11.053 -2.920 1.00 0.00 O ATOM 1098 CB THR A 70 2.035 -10.659 -4.012 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.796 -11.290 -4.296 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.833 -10.510 -5.312 1.00 0.00 C ATOM 0 H THR A 70 1.167 -11.352 -1.758 1.00 0.00 H new ATOM 0 HA THR A 70 3.155 -12.424 -3.539 1.00 0.00 H new ATOM 0 HB THR A 70 1.854 -9.677 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.229 -11.271 -3.497 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.269 -9.899 -6.017 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.789 -10.031 -5.099 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.009 -11.494 -5.746 1.00 0.00 H new ATOM 1108 N ALA A 71 3.820 -9.732 -1.717 1.00 0.00 N ATOM 1109 CA ALA A 71 4.912 -8.916 -1.200 1.00 0.00 C ATOM 1110 C ALA A 71 5.875 -9.761 -0.371 1.00 0.00 C ATOM 1111 O ALA A 71 7.073 -9.483 -0.329 1.00 0.00 O ATOM 1112 CB ALA A 71 4.367 -7.777 -0.342 1.00 0.00 C ATOM 0 H ALA A 71 2.893 -9.459 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 71 5.451 -8.499 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.195 -7.178 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.710 -7.149 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.805 -8.189 0.496 1.00 0.00 H new ATOM 1118 N GLU A 72 5.351 -10.792 0.286 1.00 0.00 N ATOM 1119 CA GLU A 72 6.193 -11.656 1.098 1.00 0.00 C ATOM 1120 C GLU A 72 7.091 -12.517 0.216 1.00 0.00 C ATOM 1121 O GLU A 72 8.300 -12.591 0.423 1.00 0.00 O ATOM 1122 CB GLU A 72 5.325 -12.550 1.993 1.00 0.00 C ATOM 1123 CG GLU A 72 4.758 -11.731 3.158 1.00 0.00 C ATOM 1124 CD GLU A 72 5.868 -11.375 4.143 1.00 0.00 C ATOM 1125 OE1 GLU A 72 6.874 -12.069 4.148 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.695 -10.422 4.883 1.00 0.00 O ATOM 0 H GLU A 72 4.363 -11.045 0.272 1.00 0.00 H new ATOM 0 HA GLU A 72 6.824 -11.028 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.511 -12.981 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.918 -13.381 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.292 -10.821 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.979 -12.300 3.667 1.00 0.00 H new ATOM 1133 N LYS A 73 6.508 -13.194 -0.760 1.00 0.00 N ATOM 1134 CA LYS A 73 7.304 -14.054 -1.621 1.00 0.00 C ATOM 1135 C LYS A 73 8.358 -13.238 -2.375 1.00 0.00 C ATOM 1136 O LYS A 73 9.483 -13.693 -2.571 1.00 0.00 O ATOM 1137 CB LYS A 73 6.390 -14.776 -2.624 1.00 0.00 C ATOM 1138 CG LYS A 73 7.188 -15.818 -3.436 1.00 0.00 C ATOM 1139 CD LYS A 73 6.277 -16.501 -4.470 1.00 0.00 C ATOM 1140 CE LYS A 73 7.077 -17.551 -5.249 1.00 0.00 C ATOM 1141 NZ LYS A 73 7.774 -18.452 -4.289 1.00 0.00 N ATOM 0 H LYS A 73 5.511 -13.168 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 73 7.814 -14.790 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.575 -15.268 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.938 -14.050 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.023 -15.333 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.612 -16.565 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.431 -16.972 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.868 -15.759 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.412 -18.129 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.803 -17.063 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.044 -19.332 -4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.627 -17.980 -3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.138 -18.673 -3.496 1.00 0.00 H new ATOM 1155 N LEU A 74 7.975 -12.037 -2.808 1.00 0.00 N ATOM 1156 CA LEU A 74 8.877 -11.175 -3.559 1.00 0.00 C ATOM 1157 C LEU A 74 9.870 -10.425 -2.668 1.00 0.00 C ATOM 1158 O LEU A 74 11.040 -10.304 -3.030 1.00 0.00 O ATOM 1159 CB LEU A 74 8.059 -10.163 -4.371 1.00 0.00 C ATOM 1160 CG LEU A 74 7.249 -10.882 -5.466 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.335 -9.867 -6.166 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.196 -11.521 -6.503 1.00 0.00 C ATOM 0 H LEU A 74 7.048 -11.643 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 74 9.460 -11.820 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.385 -9.617 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.724 -9.429 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 74 6.650 -11.668 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.759 -10.371 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.654 -9.427 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.942 -9.081 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.608 -12.025 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.806 -10.745 -6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.843 -12.245 -6.007 1.00 0.00 H new ATOM 1174 N ALA A 75 9.412 -9.883 -1.531 1.00 0.00 N ATOM 1175 CA ALA A 75 10.306 -9.106 -0.662 1.00 0.00 C ATOM 1176 C ALA A 75 10.298 -9.584 0.782 1.00 0.00 C ATOM 1177 O ALA A 75 10.920 -8.948 1.629 1.00 0.00 O ATOM 1178 CB ALA A 75 9.891 -7.634 -0.703 1.00 0.00 C ATOM 0 H ALA A 75 8.452 -9.965 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 75 11.319 -9.242 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.551 -7.052 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.962 -7.264 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.864 -7.536 -0.353 1.00 0.00 H new ATOM 1184 N ASP A 76 9.616 -10.690 1.073 1.00 0.00 N ATOM 1185 CA ASP A 76 9.593 -11.195 2.447 1.00 0.00 C ATOM 1186 C ASP A 76 9.396 -10.046 3.431 1.00 0.00 C ATOM 1187 O ASP A 76 10.071 -9.966 4.457 1.00 0.00 O ATOM 1188 CB ASP A 76 10.908 -11.920 2.729 1.00 0.00 C ATOM 1189 CG ASP A 76 12.082 -10.955 2.630 1.00 0.00 C ATOM 1190 OD1 ASP A 76 12.251 -10.163 3.541 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.780 -11.000 1.627 1.00 0.00 O ATOM 0 H ASP A 76 9.086 -11.241 0.399 1.00 0.00 H new ATOM 0 HA ASP A 76 8.761 -11.889 2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.879 -12.365 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.040 -12.736 2.018 1.00 0.00 H new ATOM 1196 N CYS A 77 8.486 -9.150 3.071 1.00 0.00 N ATOM 1197 CA CYS A 77 8.191 -7.968 3.877 1.00 0.00 C ATOM 1198 C CYS A 77 7.761 -8.326 5.302 1.00 0.00 C ATOM 1199 O CYS A 77 7.981 -9.441 5.779 1.00 0.00 O ATOM 1200 CB CYS A 77 7.081 -7.160 3.199 1.00 0.00 C ATOM 1201 SG CYS A 77 5.548 -8.124 3.188 1.00 0.00 S ATOM 0 H CYS A 77 7.933 -9.220 2.217 1.00 0.00 H new ATOM 0 HA CYS A 77 9.107 -7.381 3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.927 -6.219 3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 77 7.372 -6.908 2.179 1.00 0.00 H new ATOM 0 HG CYS A 77 5.559 -8.969 4.176 1.00 0.00 H new ATOM 1207 N ALA A 78 7.137 -7.352 5.967 1.00 0.00 N ATOM 1208 CA ALA A 78 6.658 -7.526 7.336 1.00 0.00 C ATOM 1209 C ALA A 78 5.269 -8.163 7.333 1.00 0.00 C ATOM 1210 O ALA A 78 4.636 -8.275 6.284 1.00 0.00 O ATOM 1211 CB ALA A 78 6.600 -6.163 8.038 1.00 0.00 C ATOM 0 H ALA A 78 6.951 -6.429 5.575 1.00 0.00 H new ATOM 0 HA ALA A 78 7.345 -8.182 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.242 -6.295 9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.596 -5.721 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.920 -5.504 7.498 1.00 0.00 H new ATOM 1217 N GLN A 79 4.797 -8.578 8.511 1.00 0.00 N ATOM 1218 CA GLN A 79 3.483 -9.200 8.638 1.00 0.00 C ATOM 1219 C GLN A 79 2.688 -8.507 9.749 1.00 0.00 C ATOM 1220 O GLN A 79 2.062 -9.160 10.579 1.00 0.00 O ATOM 1221 CB GLN A 79 3.658 -10.682 8.986 1.00 0.00 C ATOM 1222 CG GLN A 79 2.351 -11.420 8.723 1.00 0.00 C ATOM 1223 CD GLN A 79 2.525 -12.911 8.978 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.604 -13.459 8.744 1.00 0.00 O ATOM 1225 NE2 GLN A 79 1.527 -13.606 9.450 1.00 0.00 N ATOM 0 H GLN A 79 5.308 -8.493 9.390 1.00 0.00 H new ATOM 0 HA GLN A 79 2.943 -9.104 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.460 -11.115 8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.946 -10.790 10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.566 -11.023 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.033 -11.255 7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.635 -13.151 9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.639 -14.604 9.626 1.00 0.00 H new ATOM 1234 N LEU A 80 2.752 -7.185 9.772 1.00 0.00 N ATOM 1235 CA LEU A 80 2.064 -6.412 10.803 1.00 0.00 C ATOM 1236 C LEU A 80 0.541 -6.482 10.632 1.00 0.00 C ATOM 1237 O LEU A 80 -0.199 -6.283 11.595 1.00 0.00 O ATOM 1238 CB LEU A 80 2.489 -4.938 10.741 1.00 0.00 C ATOM 1239 CG LEU A 80 4.003 -4.803 10.568 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.361 -3.321 10.558 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.737 -5.487 11.717 1.00 0.00 C ATOM 0 H LEU A 80 3.269 -6.624 9.095 1.00 0.00 H new ATOM 0 HA LEU A 80 2.339 -6.844 11.765 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.981 -4.445 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.178 -4.429 11.653 1.00 0.00 H new ATOM 0 HG LEU A 80 4.301 -5.277 9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.438 -3.208 10.435 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.848 -2.828 9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.053 -2.866 11.499 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.813 -5.380 11.576 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.447 -5.025 12.661 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.477 -6.545 11.736 1.00 0.00 H new ATOM 1253 N LEU A 81 0.073 -6.738 9.405 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.383 -6.798 9.128 1.00 0.00 C ATOM 1255 C LEU A 81 -1.843 -8.208 8.757 1.00 0.00 C ATOM 1256 O LEU A 81 -1.171 -8.921 8.013 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.754 -5.849 7.968 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.875 -4.601 8.001 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.190 -3.718 6.794 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.166 -3.816 9.275 1.00 0.00 C ATOM 0 H LEU A 81 0.665 -6.906 8.592 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.884 -6.494 10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.631 -6.363 7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.804 -5.565 8.043 1.00 0.00 H new ATOM 0 HG LEU A 81 0.173 -4.898 7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.561 -2.828 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.995 -4.273 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.239 -3.422 6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.541 -2.924 9.303 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.216 -3.524 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.950 -4.438 10.143 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.017 -8.578 9.269 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.611 -9.884 8.994 1.00 0.00 C ATOM 1274 C GLU A 82 -4.904 -9.723 8.196 1.00 0.00 C ATOM 1275 O GLU A 82 -5.803 -8.981 8.580 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.899 -10.600 10.312 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.577 -10.888 11.024 1.00 0.00 C ATOM 1278 CD GLU A 82 -1.768 -11.910 10.231 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.364 -12.614 9.431 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -0.566 -11.970 10.429 1.00 0.00 O ATOM 0 H GLU A 82 -3.578 -7.986 9.881 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.911 -10.476 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.539 -9.983 10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.436 -11.530 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.006 -9.966 11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.770 -11.265 12.028 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.974 -10.427 7.080 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.136 -10.374 6.202 1.00 0.00 C ATOM 1289 C VAL A 83 -7.438 -10.427 7.001 1.00 0.00 C ATOM 1290 O VAL A 83 -8.337 -9.606 6.810 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.066 -11.578 5.257 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.305 -11.616 4.352 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.775 -11.500 4.421 1.00 0.00 C ATOM 0 H VAL A 83 -4.233 -11.049 6.756 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.126 -9.437 5.646 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.049 -12.498 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.243 -12.476 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.202 -11.697 4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.352 -10.702 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.725 -12.356 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.775 -10.580 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.911 -11.509 5.085 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.543 -11.417 7.868 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.747 -11.601 8.667 1.00 0.00 C ATOM 1305 C ASP A 84 -9.125 -10.322 9.405 1.00 0.00 C ATOM 1306 O ASP A 84 -10.294 -9.931 9.421 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.523 -12.726 9.676 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.480 -14.069 8.954 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -8.816 -14.099 7.781 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.108 -15.045 9.582 1.00 0.00 O ATOM 0 H ASP A 84 -6.812 -12.107 8.039 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.565 -11.859 7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.590 -12.563 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.323 -12.727 10.417 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.143 -9.681 10.018 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.399 -8.452 10.754 1.00 0.00 C ATOM 1317 C ASP A 85 -8.772 -7.332 9.797 1.00 0.00 C ATOM 1318 O ASP A 85 -9.665 -6.535 10.071 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.145 -8.067 11.553 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.155 -7.302 10.670 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -6.498 -6.214 10.239 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.081 -7.813 10.434 1.00 0.00 O ATOM 0 H ASP A 85 -7.170 -9.987 10.022 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.231 -8.611 11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.427 -7.453 12.408 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.669 -8.965 11.948 1.00 0.00 H new ATOM 1327 N MET A 86 -8.072 -7.283 8.670 1.00 0.00 N ATOM 1328 CA MET A 86 -8.337 -6.260 7.675 1.00 0.00 C ATOM 1329 C MET A 86 -9.758 -6.400 7.163 1.00 0.00 C ATOM 1330 O MET A 86 -10.500 -5.423 7.049 1.00 0.00 O ATOM 1331 CB MET A 86 -7.366 -6.422 6.503 1.00 0.00 C ATOM 1332 CG MET A 86 -5.914 -6.193 6.967 1.00 0.00 C ATOM 1333 SD MET A 86 -5.010 -5.295 5.682 1.00 0.00 S ATOM 1334 CE MET A 86 -5.664 -3.646 6.053 1.00 0.00 C ATOM 0 H MET A 86 -7.325 -7.934 8.427 1.00 0.00 H new ATOM 0 HA MET A 86 -8.207 -5.278 8.129 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.464 -7.421 6.077 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.618 -5.713 5.714 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.903 -5.627 7.899 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.429 -7.148 7.168 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.071 -2.894 5.532 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.701 -3.583 5.723 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.614 -3.468 7.127 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.123 -7.633 6.873 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.451 -7.946 6.383 1.00 0.00 C ATOM 1346 C VAL A 87 -12.499 -7.713 7.464 1.00 0.00 C ATOM 1347 O VAL A 87 -13.576 -7.175 7.193 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.486 -9.407 5.923 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.924 -9.811 5.567 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.584 -9.565 4.690 1.00 0.00 C ATOM 0 H VAL A 87 -9.511 -8.443 6.970 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.682 -7.289 5.544 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.129 -10.050 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.940 -10.851 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.562 -9.696 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.293 -9.173 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.603 -10.602 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.945 -8.919 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.563 -9.286 4.948 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.194 -8.131 8.690 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.119 -7.979 9.795 1.00 0.00 C ATOM 1362 C ARG A 88 -13.261 -6.523 10.220 1.00 0.00 C ATOM 1363 O ARG A 88 -14.371 -6.032 10.410 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.600 -8.818 10.974 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.426 -8.526 12.221 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.125 -9.561 13.304 1.00 0.00 C ATOM 1367 NE ARG A 88 -11.725 -9.479 13.701 1.00 0.00 N ATOM 1368 CZ ARG A 88 -11.203 -10.349 14.558 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.465 -11.622 14.442 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -10.427 -9.929 15.519 1.00 0.00 N ATOM 0 H ARG A 88 -11.311 -8.577 8.937 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.105 -8.320 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.657 -9.879 10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.551 -8.589 11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.200 -7.526 12.590 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.488 -8.543 11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.767 -9.391 14.169 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.348 -10.562 12.934 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.136 -8.741 13.314 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.072 -11.951 13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.063 -12.288 15.102 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.222 -8.934 15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.025 -10.596 16.178 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.134 -5.850 10.382 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.156 -4.461 10.799 1.00 0.00 C ATOM 1386 C LEU A 89 -12.824 -3.600 9.733 1.00 0.00 C ATOM 1387 O LEU A 89 -13.707 -2.793 10.029 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.719 -3.972 11.020 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.097 -4.658 12.251 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.577 -4.443 12.240 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.678 -4.065 13.549 1.00 0.00 C ATOM 0 H LEU A 89 -11.203 -6.239 10.233 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.722 -4.379 11.727 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.117 -4.183 10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.714 -2.891 11.158 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.327 -5.723 12.211 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.135 -4.928 13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.155 -4.873 11.332 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.360 -3.375 12.270 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.228 -4.561 14.409 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.461 -2.998 13.591 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.757 -4.216 13.567 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.352 -3.748 8.503 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.863 -2.943 7.402 1.00 0.00 C ATOM 1405 C ALA A 90 -12.542 -1.486 7.718 1.00 0.00 C ATOM 1406 O ALA A 90 -13.200 -0.563 7.245 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.378 -3.141 7.246 1.00 0.00 C ATOM 0 H ALA A 90 -11.622 -4.412 8.243 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.399 -3.242 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.741 -2.532 6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.589 -4.191 7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.881 -2.841 8.166 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.493 -1.331 8.528 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.002 -0.028 8.964 1.00 0.00 C ATOM 1415 C VAL A 91 -9.585 -0.174 9.537 1.00 0.00 C ATOM 1416 O VAL A 91 -9.431 -0.437 10.729 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.927 0.546 10.056 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.284 1.793 10.687 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.285 0.934 9.449 1.00 0.00 C ATOM 0 H VAL A 91 -10.958 -2.115 8.901 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.987 0.646 8.108 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.075 -0.216 10.821 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.944 2.192 11.457 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.327 1.523 11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.125 2.549 9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.930 1.338 10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.136 1.687 8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.753 0.052 9.012 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.553 -0.009 8.740 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.153 -0.116 9.234 1.00 0.00 C ATOM 1431 C PRO A 92 -6.770 1.090 10.087 1.00 0.00 C ATOM 1432 O PRO A 92 -7.599 1.957 10.363 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.283 -0.212 7.958 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.232 -0.176 6.790 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.596 0.293 7.307 1.00 0.00 C ATOM 0 HA PRO A 92 -7.015 -0.982 9.881 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.575 0.615 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.699 -1.132 7.955 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.863 0.500 6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.315 -1.163 6.335 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.747 1.357 7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.413 -0.232 6.812 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.504 1.140 10.492 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.004 2.242 11.307 1.00 0.00 C ATOM 1445 C ASP A 93 -3.855 2.949 10.596 1.00 0.00 C ATOM 1446 O ASP A 93 -2.931 2.315 10.092 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.553 1.710 12.667 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.615 0.770 13.229 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.779 0.973 12.920 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.250 -0.141 13.954 1.00 0.00 O ATOM 0 H ASP A 93 -4.806 0.430 10.269 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.804 2.967 11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.604 1.183 12.566 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.386 2.539 13.355 1.00 0.00 H new ATOM 1455 N SER A 94 -3.943 4.270 10.540 1.00 0.00 N ATOM 1456 CA SER A 94 -2.927 5.074 9.867 1.00 0.00 C ATOM 1457 C SER A 94 -1.530 4.666 10.305 1.00 0.00 C ATOM 1458 O SER A 94 -0.580 4.722 9.522 1.00 0.00 O ATOM 1459 CB SER A 94 -3.143 6.552 10.189 1.00 0.00 C ATOM 1460 OG SER A 94 -2.931 6.766 11.579 1.00 0.00 O ATOM 0 H SER A 94 -4.705 4.809 10.951 1.00 0.00 H new ATOM 0 HA SER A 94 -3.019 4.908 8.794 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.458 7.167 9.606 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.154 6.852 9.913 1.00 0.00 H new ATOM 0 HG SER A 94 -3.067 7.714 11.789 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.413 4.239 11.548 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.130 3.809 12.070 1.00 0.00 C ATOM 1468 C LYS A 95 0.206 2.413 11.572 1.00 0.00 C ATOM 1469 O LYS A 95 1.370 2.081 11.373 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.162 3.806 13.593 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.246 2.847 14.089 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.303 2.879 15.629 1.00 0.00 C ATOM 1473 CE LYS A 95 -0.280 1.897 16.215 1.00 0.00 C ATOM 1474 NZ LYS A 95 1.082 2.488 16.114 1.00 0.00 N ATOM 0 H LYS A 95 -2.186 4.181 12.211 1.00 0.00 H new ATOM 0 HA LYS A 95 0.633 4.505 11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.809 3.505 13.985 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.357 4.812 13.963 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.213 3.130 13.674 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.035 1.835 13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.097 3.888 15.987 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.305 2.618 15.969 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.520 1.683 17.256 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.319 0.950 15.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.623 2.262 16.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.570 2.096 15.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.006 3.520 16.015 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.821 1.597 11.380 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.615 0.233 10.912 1.00 0.00 C ATOM 1490 C CYS A 96 -0.084 0.231 9.483 1.00 0.00 C ATOM 1491 O CYS A 96 0.937 -0.388 9.186 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.938 -0.545 10.967 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.192 -1.193 12.636 1.00 0.00 S ATOM 0 H CYS A 96 -1.796 1.852 11.539 1.00 0.00 H new ATOM 0 HA CYS A 96 0.117 -0.246 11.561 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.766 0.107 10.689 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.921 -1.363 10.247 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.372 -0.850 13.060 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.790 0.934 8.607 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.393 1.018 7.214 1.00 0.00 C ATOM 1501 C VAL A 97 0.949 1.707 7.124 1.00 0.00 C ATOM 1502 O VAL A 97 1.834 1.286 6.386 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.418 1.833 6.422 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.958 1.977 4.970 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.780 1.134 6.464 1.00 0.00 C ATOM 0 H VAL A 97 -1.638 1.452 8.839 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.333 0.012 6.800 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.508 2.823 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.692 2.558 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.005 2.486 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.859 0.989 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.506 1.718 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.693 0.140 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.112 1.045 7.498 1.00 0.00 H new ATOM 1515 N TYR A 98 1.088 2.776 7.887 1.00 0.00 N ATOM 1516 CA TYR A 98 2.319 3.535 7.887 1.00 0.00 C ATOM 1517 C TYR A 98 3.488 2.645 8.262 1.00 0.00 C ATOM 1518 O TYR A 98 4.501 2.604 7.563 1.00 0.00 O ATOM 1519 CB TYR A 98 2.206 4.678 8.903 1.00 0.00 C ATOM 1520 CG TYR A 98 3.544 5.362 9.059 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.529 4.786 9.870 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.801 6.560 8.390 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.773 5.407 10.009 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.047 7.186 8.532 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.033 6.607 9.340 1.00 0.00 C ATOM 1526 OH TYR A 98 7.261 7.219 9.471 1.00 0.00 O ATOM 0 H TYR A 98 0.365 3.135 8.511 1.00 0.00 H new ATOM 0 HA TYR A 98 2.488 3.937 6.888 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.457 5.397 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.872 4.289 9.865 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.327 3.861 10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.041 7.004 7.764 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.533 4.960 10.633 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.246 8.115 8.018 1.00 0.00 H new ATOM 0 HH TYR A 98 7.275 8.042 8.939 1.00 0.00 H new ATOM 1536 N THR A 99 3.342 1.934 9.368 1.00 0.00 N ATOM 1537 CA THR A 99 4.398 1.054 9.827 1.00 0.00 C ATOM 1538 C THR A 99 4.732 0.030 8.754 1.00 0.00 C ATOM 1539 O THR A 99 5.901 -0.252 8.500 1.00 0.00 O ATOM 1540 CB THR A 99 3.971 0.335 11.111 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.434 1.276 12.028 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.186 -0.345 11.743 1.00 0.00 C ATOM 0 H THR A 99 2.510 1.950 9.958 1.00 0.00 H new ATOM 0 HA THR A 99 5.283 1.656 10.034 1.00 0.00 H new ATOM 0 HB THR A 99 3.215 -0.413 10.870 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.462 1.323 11.916 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.882 -0.857 12.656 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.603 -1.069 11.043 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.940 0.405 11.981 1.00 0.00 H new ATOM 1550 N TYR A 100 3.703 -0.516 8.123 1.00 0.00 N ATOM 1551 CA TYR A 100 3.891 -1.502 7.068 1.00 0.00 C ATOM 1552 C TYR A 100 4.665 -0.888 5.908 1.00 0.00 C ATOM 1553 O TYR A 100 5.660 -1.440 5.435 1.00 0.00 O ATOM 1554 CB TYR A 100 2.526 -1.938 6.560 1.00 0.00 C ATOM 1555 CG TYR A 100 2.698 -3.086 5.602 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.020 -2.837 4.267 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.529 -4.397 6.052 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.172 -3.906 3.374 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.683 -5.467 5.163 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.004 -5.221 3.823 1.00 0.00 C ATOM 1561 OH TYR A 100 3.154 -6.274 2.944 1.00 0.00 O ATOM 0 H TYR A 100 2.728 -0.293 8.323 1.00 0.00 H new ATOM 0 HA TYR A 100 4.447 -2.351 7.465 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.893 -2.237 7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.027 -1.106 6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.152 -1.822 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.280 -4.585 7.086 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.419 -3.715 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.554 -6.481 5.511 1.00 0.00 H new ATOM 0 HH TYR A 100 3.799 -6.915 3.309 1.00 0.00 H new ATOM 1571 N ILE A 101 4.186 0.271 5.469 1.00 0.00 N ATOM 1572 CA ILE A 101 4.808 0.997 4.373 1.00 0.00 C ATOM 1573 C ILE A 101 6.232 1.366 4.766 1.00 0.00 C ATOM 1574 O ILE A 101 7.155 1.278 3.960 1.00 0.00 O ATOM 1575 CB ILE A 101 3.997 2.267 4.055 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.632 1.893 3.431 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.776 3.176 3.102 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.797 1.115 2.113 1.00 0.00 C ATOM 0 H ILE A 101 3.363 0.729 5.860 1.00 0.00 H new ATOM 0 HA ILE A 101 4.829 0.369 3.482 1.00 0.00 H new ATOM 0 HB ILE A 101 3.823 2.804 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.062 1.291 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.056 2.800 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.188 4.068 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.719 3.465 3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.977 2.643 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.814 0.872 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.344 1.727 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.350 0.194 2.301 1.00 0.00 H new ATOM 1590 N GLN A 102 6.390 1.780 6.017 1.00 0.00 N ATOM 1591 CA GLN A 102 7.693 2.164 6.539 1.00 0.00 C ATOM 1592 C GLN A 102 8.730 1.093 6.242 1.00 0.00 C ATOM 1593 O GLN A 102 9.711 1.328 5.534 1.00 0.00 O ATOM 1594 CB GLN A 102 7.608 2.345 8.054 1.00 0.00 C ATOM 1595 CG GLN A 102 8.856 3.077 8.551 1.00 0.00 C ATOM 1596 CD GLN A 102 8.957 2.977 10.070 1.00 0.00 C ATOM 1597 OE1 GLN A 102 10.132 2.861 10.629 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 7.942 2.994 10.764 1.00 0.00 N flip ATOM 0 H GLN A 102 5.628 1.858 6.690 1.00 0.00 H new ATOM 0 HA GLN A 102 7.988 3.097 6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.714 2.911 8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.524 1.374 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.746 2.647 8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.816 4.124 8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.026 3.085 10.325 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.016 2.917 11.778 1.00 0.00 H new ATOM 1607 N GLU A 103 8.517 -0.082 6.816 1.00 0.00 N ATOM 1608 CA GLU A 103 9.456 -1.178 6.626 1.00 0.00 C ATOM 1609 C GLU A 103 9.577 -1.499 5.142 1.00 0.00 C ATOM 1610 O GLU A 103 10.679 -1.658 4.610 1.00 0.00 O ATOM 1611 CB GLU A 103 8.975 -2.410 7.396 1.00 0.00 C ATOM 1612 CG GLU A 103 10.082 -3.466 7.421 1.00 0.00 C ATOM 1613 CD GLU A 103 11.193 -3.033 8.372 1.00 0.00 C ATOM 1614 OE1 GLU A 103 11.009 -2.038 9.051 1.00 0.00 O ATOM 1615 OE2 GLU A 103 12.212 -3.705 8.407 1.00 0.00 O ATOM 0 H GLU A 103 7.716 -0.300 7.408 1.00 0.00 H new ATOM 0 HA GLU A 103 10.435 -0.885 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.702 -2.131 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.080 -2.818 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.674 -4.426 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.485 -3.607 6.418 1.00 0.00 H new ATOM 1622 N LEU A 104 8.434 -1.594 4.481 1.00 0.00 N ATOM 1623 CA LEU A 104 8.397 -1.903 3.060 1.00 0.00 C ATOM 1624 C LEU A 104 9.159 -0.854 2.261 1.00 0.00 C ATOM 1625 O LEU A 104 9.956 -1.183 1.386 1.00 0.00 O ATOM 1626 CB LEU A 104 6.940 -1.891 2.619 1.00 0.00 C ATOM 1627 CG LEU A 104 6.787 -2.413 1.181 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.799 -3.949 1.169 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.456 -1.908 0.607 1.00 0.00 C ATOM 0 H LEU A 104 7.517 -1.461 4.907 1.00 0.00 H new ATOM 0 HA LEU A 104 8.858 -2.875 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.348 -2.506 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.547 -0.877 2.684 1.00 0.00 H new ATOM 0 HG LEU A 104 7.618 -2.051 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.690 -4.306 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.742 -4.309 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.973 -4.324 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.338 -2.273 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.633 -2.274 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.451 -0.818 0.605 1.00 0.00 H new ATOM 1641 N TYR A 105 8.906 0.407 2.580 1.00 0.00 N ATOM 1642 CA TYR A 105 9.558 1.510 1.891 1.00 0.00 C ATOM 1643 C TYR A 105 11.054 1.297 1.898 1.00 0.00 C ATOM 1644 O TYR A 105 11.736 1.464 0.886 1.00 0.00 O ATOM 1645 CB TYR A 105 9.237 2.806 2.629 1.00 0.00 C ATOM 1646 CG TYR A 105 9.909 3.970 1.946 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.303 4.569 0.838 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.133 4.452 2.424 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.919 5.653 0.206 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.751 5.537 1.791 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.143 6.136 0.682 1.00 0.00 C ATOM 1652 OH TYR A 105 11.750 7.205 0.057 1.00 0.00 O ATOM 0 H TYR A 105 8.254 0.691 3.311 1.00 0.00 H new ATOM 0 HA TYR A 105 9.203 1.563 0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.159 2.962 2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.573 2.738 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.359 4.194 0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.600 3.988 3.280 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.451 6.117 -0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.695 5.911 2.158 1.00 0.00 H new ATOM 0 HH TYR A 105 12.592 7.415 0.513 1.00 0.00 H new ATOM 1662 N ARG A 106 11.555 0.955 3.063 1.00 0.00 N ATOM 1663 CA ARG A 106 12.976 0.746 3.241 1.00 0.00 C ATOM 1664 C ARG A 106 13.474 -0.396 2.367 1.00 0.00 C ATOM 1665 O ARG A 106 14.561 -0.314 1.801 1.00 0.00 O ATOM 1666 CB ARG A 106 13.241 0.467 4.715 1.00 0.00 C ATOM 1667 CG ARG A 106 12.989 1.757 5.498 1.00 0.00 C ATOM 1668 CD ARG A 106 13.225 1.520 6.985 1.00 0.00 C ATOM 1669 NE ARG A 106 12.994 2.752 7.729 1.00 0.00 N ATOM 1670 CZ ARG A 106 13.437 2.891 8.973 1.00 0.00 C ATOM 1671 NH1 ARG A 106 12.872 2.228 9.942 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.442 3.688 9.220 1.00 0.00 N ATOM 0 H ARG A 106 10.998 0.815 3.906 1.00 0.00 H new ATOM 0 HA ARG A 106 13.520 1.639 2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.589 -0.329 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.267 0.129 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.650 2.545 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.967 2.098 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.559 0.737 7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.245 1.172 7.149 1.00 0.00 H new ATOM 0 HE ARG A 106 12.485 3.518 7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.090 1.603 9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.211 2.334 10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.885 4.202 8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.784 3.797 10.175 1.00 0.00 H new ATOM 1686 N SER A 107 12.675 -1.449 2.234 1.00 0.00 N ATOM 1687 CA SER A 107 13.074 -2.570 1.391 1.00 0.00 C ATOM 1688 C SER A 107 13.254 -2.103 -0.056 1.00 0.00 C ATOM 1689 O SER A 107 14.171 -2.538 -0.751 1.00 0.00 O ATOM 1690 CB SER A 107 12.029 -3.685 1.448 1.00 0.00 C ATOM 1691 OG SER A 107 12.023 -4.259 2.748 1.00 0.00 O ATOM 0 H SER A 107 11.767 -1.550 2.688 1.00 0.00 H new ATOM 0 HA SER A 107 14.022 -2.959 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.043 -3.287 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.254 -4.448 0.702 1.00 0.00 H new ATOM 0 HG SER A 107 11.353 -4.973 2.787 1.00 0.00 H new ATOM 1697 N LEU A 108 12.369 -1.213 -0.502 1.00 0.00 N ATOM 1698 CA LEU A 108 12.436 -0.687 -1.861 1.00 0.00 C ATOM 1699 C LEU A 108 13.665 0.194 -2.048 1.00 0.00 C ATOM 1700 O LEU A 108 14.258 0.230 -3.127 1.00 0.00 O ATOM 1701 CB LEU A 108 11.201 0.163 -2.175 1.00 0.00 C ATOM 1702 CG LEU A 108 9.910 -0.613 -1.888 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.719 0.350 -1.973 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.725 -1.734 -2.918 1.00 0.00 C ATOM 0 H LEU A 108 11.600 -0.843 0.057 1.00 0.00 H new ATOM 0 HA LEU A 108 12.487 -1.545 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.222 1.075 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.221 0.467 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 108 9.970 -1.052 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.796 -0.194 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.841 1.145 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.672 0.784 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.805 -2.277 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.667 -1.304 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.571 -2.419 -2.866 1.00 0.00 H new ATOM 1716 N VAL A 109 14.018 0.937 -1.007 1.00 0.00 N ATOM 1717 CA VAL A 109 15.147 1.846 -1.088 1.00 0.00 C ATOM 1718 C VAL A 109 16.446 1.081 -1.300 1.00 0.00 C ATOM 1719 O VAL A 109 17.233 1.418 -2.185 1.00 0.00 O ATOM 1720 CB VAL A 109 15.224 2.681 0.193 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.532 3.476 0.224 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.045 3.658 0.227 1.00 0.00 C ATOM 0 H VAL A 109 13.542 0.927 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 109 15.004 2.508 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 109 15.187 2.016 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.577 4.067 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.377 2.788 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.575 4.140 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.094 4.256 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.092 4.315 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.109 3.100 0.210 1.00 0.00 H new ATOM 1732 N GLN A 110 16.659 0.046 -0.497 1.00 0.00 N ATOM 1733 CA GLN A 110 17.866 -0.752 -0.630 1.00 0.00 C ATOM 1734 C GLN A 110 17.870 -1.443 -1.980 1.00 0.00 C ATOM 1735 O GLN A 110 18.869 -1.422 -2.700 1.00 0.00 O ATOM 1736 CB GLN A 110 17.952 -1.798 0.490 1.00 0.00 C ATOM 1737 CG GLN A 110 16.623 -2.564 0.618 1.00 0.00 C ATOM 1738 CD GLN A 110 16.621 -3.448 1.863 1.00 0.00 C ATOM 1739 OE1 GLN A 110 16.095 -3.000 2.974 1.00 0.00 O flip ATOM 1740 NE2 GLN A 110 17.101 -4.581 1.822 1.00 0.00 N flip ATOM 0 H GLN A 110 16.022 -0.255 0.241 1.00 0.00 H new ATOM 0 HA GLN A 110 18.731 -0.093 -0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.762 -2.497 0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.189 -1.309 1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.795 -1.857 0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.466 -3.178 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.511 -4.930 0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.089 -5.171 2.654 1.00 0.00 H new ATOM 1749 N LYS A 111 16.743 -2.053 -2.311 1.00 0.00 N ATOM 1750 CA LYS A 111 16.611 -2.763 -3.571 1.00 0.00 C ATOM 1751 C LYS A 111 16.908 -1.826 -4.739 1.00 0.00 C ATOM 1752 O LYS A 111 17.357 -2.263 -5.797 1.00 0.00 O ATOM 1753 CB LYS A 111 15.186 -3.338 -3.710 1.00 0.00 C ATOM 1754 CG LYS A 111 15.172 -4.487 -4.745 1.00 0.00 C ATOM 1755 CD LYS A 111 15.419 -5.838 -4.043 1.00 0.00 C ATOM 1756 CE LYS A 111 14.085 -6.423 -3.555 1.00 0.00 C ATOM 1757 NZ LYS A 111 13.206 -6.708 -4.726 1.00 0.00 N ATOM 0 H LYS A 111 15.908 -2.070 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 111 17.328 -3.584 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.838 -3.705 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.497 -2.552 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.213 -4.508 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.939 -4.316 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.901 -6.533 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.097 -5.702 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.263 -7.338 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.594 -5.722 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.359 -6.106 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.724 -6.509 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.921 -7.708 -4.711 1.00 0.00 H new ATOM 1771 N GLY A 112 16.636 -0.536 -4.545 1.00 0.00 N ATOM 1772 CA GLY A 112 16.862 0.454 -5.600 1.00 0.00 C ATOM 1773 C GLY A 112 15.619 0.567 -6.466 1.00 0.00 C ATOM 1774 O GLY A 112 15.654 1.090 -7.581 1.00 0.00 O ATOM 0 H GLY A 112 16.262 -0.154 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.100 1.422 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.717 0.162 -6.210 1.00 0.00 H new ATOM 1778 N LEU A 113 14.519 0.079 -5.910 1.00 0.00 N ATOM 1779 CA LEU A 113 13.223 0.115 -6.575 1.00 0.00 C ATOM 1780 C LEU A 113 12.650 1.534 -6.585 1.00 0.00 C ATOM 1781 O LEU A 113 12.134 2.003 -7.599 1.00 0.00 O ATOM 1782 CB LEU A 113 12.271 -0.830 -5.831 1.00 0.00 C ATOM 1783 CG LEU A 113 12.503 -2.285 -6.270 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.776 -3.221 -5.296 1.00 0.00 C ATOM 1785 CD2 LEU A 113 11.966 -2.506 -7.701 1.00 0.00 C ATOM 0 H LEU A 113 14.499 -0.353 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 113 13.340 -0.202 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.426 -0.739 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.238 -0.545 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 113 13.572 -2.497 -6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.935 -4.256 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.167 -3.074 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.709 -2.999 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.137 -3.541 -7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.897 -2.294 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.484 -1.840 -8.391 1.00 0.00 H new ATOM 1797 N VAL A 114 12.733 2.205 -5.439 1.00 0.00 N ATOM 1798 CA VAL A 114 12.209 3.564 -5.313 1.00 0.00 C ATOM 1799 C VAL A 114 13.000 4.548 -6.180 1.00 0.00 C ATOM 1800 O VAL A 114 12.432 5.485 -6.741 1.00 0.00 O ATOM 1801 CB VAL A 114 12.200 3.985 -3.820 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.351 5.512 -3.673 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.873 3.547 -3.163 1.00 0.00 C ATOM 0 H VAL A 114 13.155 1.833 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 114 11.183 3.583 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 114 13.042 3.499 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.341 5.779 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.294 5.829 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.525 6.010 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.871 3.845 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.038 4.023 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.772 2.464 -3.233 1.00 0.00 H new