USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 26 SER OG : rot -116:sc= 0.379 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0.35 USER MOD Set 2.1: A 13 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 83 HIS : no HD1:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 142:sc=-0.00118 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= -3.01! (180deg=-3.24!) USER MOD Single : A 25 TYR OH : rot 60:sc= -0.79 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= 0.169 (180deg=0.0428) USER MOD Single : A 36 CYS SG : rot 15:sc= 1.28 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.261 USER MOD Single : A 49 MET CE :methyl 167:sc= -5.04 (180deg=-5.96!) USER MOD Single : A 54 TYR OH : rot -76:sc= 1.1 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.47) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 CYS SG : rot 140:sc= -5.04! USER MOD Single : A 87 HIS : no HD1:sc= -0.659 X(o=-0.66,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 1.273 -8.467 11.212 1.00 0.00 N ATOM 60 CA GLY A 7 0.611 -7.565 10.285 1.00 0.00 C ATOM 61 C GLY A 7 1.014 -6.113 10.551 1.00 0.00 C ATOM 62 O GLY A 7 1.492 -5.787 11.636 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.869 -7.836 9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.470 -7.669 10.380 1.00 0.00 H new ATOM 66 N VAL A 8 0.807 -5.281 9.541 1.00 0.00 N ATOM 67 CA VAL A 8 1.142 -3.872 9.652 1.00 0.00 C ATOM 68 C VAL A 8 -0.030 -3.031 9.143 1.00 0.00 C ATOM 69 O VAL A 8 -0.532 -3.260 8.044 1.00 0.00 O ATOM 70 CB VAL A 8 2.450 -3.585 8.911 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.641 -3.610 9.871 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.654 -4.571 7.758 1.00 0.00 C ATOM 0 H VAL A 8 0.411 -5.556 8.642 1.00 0.00 H new ATOM 0 HA VAL A 8 1.308 -3.600 10.695 1.00 0.00 H new ATOM 0 HB VAL A 8 2.383 -2.583 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.558 -3.403 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.503 -2.852 10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.712 -4.593 10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.590 -4.345 7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.690 -5.587 8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.827 -4.483 7.054 1.00 0.00 H new ATOM 82 N MET A 9 -0.432 -2.074 9.966 1.00 0.00 N ATOM 83 CA MET A 9 -1.536 -1.198 9.613 1.00 0.00 C ATOM 84 C MET A 9 -1.025 0.114 9.014 1.00 0.00 C ATOM 85 O MET A 9 -0.483 0.957 9.728 1.00 0.00 O ATOM 86 CB MET A 9 -2.370 -0.899 10.860 1.00 0.00 C ATOM 87 CG MET A 9 -3.433 -1.977 11.080 1.00 0.00 C ATOM 88 SD MET A 9 -3.558 -2.366 12.818 1.00 0.00 S ATOM 89 CE MET A 9 -5.331 -2.496 12.980 1.00 0.00 C ATOM 0 H MET A 9 -0.013 -1.886 10.877 1.00 0.00 H new ATOM 0 HA MET A 9 -2.150 -1.702 8.867 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.719 -0.842 11.732 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.850 0.074 10.756 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.397 -1.631 10.706 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.176 -2.873 10.516 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.585 -2.737 14.012 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.792 -1.548 12.704 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.700 -3.283 12.323 1.00 0.00 H new ATOM 99 N VAL A 10 -1.215 0.246 7.710 1.00 0.00 N ATOM 100 CA VAL A 10 -0.780 1.441 7.007 1.00 0.00 C ATOM 101 C VAL A 10 -2.006 2.233 6.549 1.00 0.00 C ATOM 102 O VAL A 10 -3.065 1.657 6.303 1.00 0.00 O ATOM 103 CB VAL A 10 0.150 1.060 5.853 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.442 0.428 6.377 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.554 0.128 4.865 1.00 0.00 C ATOM 0 H VAL A 10 -1.665 -0.455 7.121 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.205 2.086 7.671 1.00 0.00 H new ATOM 0 HB VAL A 10 0.415 1.974 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.086 0.166 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.959 1.138 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.203 -0.471 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.129 -0.127 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.862 -0.782 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.432 0.628 4.455 1.00 0.00 H new ATOM 115 N PHE A 11 -1.822 3.541 6.448 1.00 0.00 N ATOM 116 CA PHE A 11 -2.900 4.418 6.024 1.00 0.00 C ATOM 117 C PHE A 11 -2.847 4.662 4.514 1.00 0.00 C ATOM 118 O PHE A 11 -2.033 5.451 4.038 1.00 0.00 O ATOM 119 CB PHE A 11 -2.705 5.750 6.751 1.00 0.00 C ATOM 120 CG PHE A 11 -3.245 5.762 8.183 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.550 6.068 8.415 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.420 5.468 9.223 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.050 6.079 9.744 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.920 5.479 10.552 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.225 5.785 10.784 1.00 0.00 C ATOM 0 H PHE A 11 -0.942 4.015 6.653 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.863 3.964 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.642 5.988 6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.197 6.539 6.181 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.205 6.302 7.589 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.384 5.226 9.038 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.086 6.321 9.929 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.265 5.245 11.378 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.606 5.794 11.795 1.00 0.00 H new ATOM 135 N ILE A 12 -3.725 3.970 3.804 1.00 0.00 N ATOM 136 CA ILE A 12 -3.789 4.101 2.358 1.00 0.00 C ATOM 137 C ILE A 12 -4.655 5.310 1.998 1.00 0.00 C ATOM 138 O ILE A 12 -5.782 5.436 2.476 1.00 0.00 O ATOM 139 CB ILE A 12 -4.263 2.794 1.722 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.454 1.605 2.244 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.229 2.883 0.195 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.112 1.493 1.517 1.00 0.00 C ATOM 0 H ILE A 12 -4.399 3.316 4.203 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.796 4.286 1.948 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.301 2.630 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.283 1.719 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.023 0.685 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.571 1.940 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.882 3.690 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.210 3.082 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.557 0.640 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.287 1.355 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.535 2.404 1.675 1.00 0.00 H new ATOM 154 N SER A 13 -4.096 6.169 1.158 1.00 0.00 N ATOM 155 CA SER A 13 -4.804 7.363 0.729 1.00 0.00 C ATOM 156 C SER A 13 -4.691 7.521 -0.789 1.00 0.00 C ATOM 157 O SER A 13 -3.852 6.881 -1.422 1.00 0.00 O ATOM 158 CB SER A 13 -4.261 8.608 1.433 1.00 0.00 C ATOM 159 OG SER A 13 -2.926 8.421 1.894 1.00 0.00 O ATOM 0 H SER A 13 -3.162 6.062 0.763 1.00 0.00 H new ATOM 0 HA SER A 13 -5.854 7.254 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.293 9.455 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.904 8.857 2.277 1.00 0.00 H new ATOM 0 HG SER A 13 -2.726 9.079 2.592 1.00 0.00 H new ATOM 165 N SER A 14 -5.548 8.375 -1.329 1.00 0.00 N ATOM 166 CA SER A 14 -5.555 8.624 -2.760 1.00 0.00 C ATOM 167 C SER A 14 -6.137 10.010 -3.047 1.00 0.00 C ATOM 168 O SER A 14 -7.006 10.485 -2.318 1.00 0.00 O ATOM 169 CB SER A 14 -6.351 7.550 -3.502 1.00 0.00 C ATOM 170 OG SER A 14 -7.714 7.512 -3.086 1.00 0.00 O ATOM 0 H SER A 14 -6.243 8.903 -0.801 1.00 0.00 H new ATOM 0 HA SER A 14 -4.526 8.588 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.304 7.740 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.893 6.576 -3.331 1.00 0.00 H new ATOM 0 HG SER A 14 -8.287 7.332 -3.860 1.00 0.00 H new ATOM 176 N SER A 15 -5.634 10.619 -4.111 1.00 0.00 N ATOM 177 CA SER A 15 -6.094 11.940 -4.504 1.00 0.00 C ATOM 178 C SER A 15 -7.577 11.890 -4.874 1.00 0.00 C ATOM 179 O SER A 15 -8.243 12.923 -4.927 1.00 0.00 O ATOM 180 CB SER A 15 -5.272 12.484 -5.674 1.00 0.00 C ATOM 181 OG SER A 15 -4.966 13.867 -5.516 1.00 0.00 O ATOM 0 H SER A 15 -4.913 10.222 -4.713 1.00 0.00 H new ATOM 0 HA SER A 15 -5.961 12.614 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.346 11.916 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.824 12.339 -6.603 1.00 0.00 H new ATOM 0 HG SER A 15 -4.439 14.175 -6.283 1.00 0.00 H new ATOM 187 N LEU A 16 -8.052 10.678 -5.122 1.00 0.00 N ATOM 188 CA LEU A 16 -9.444 10.480 -5.486 1.00 0.00 C ATOM 189 C LEU A 16 -10.328 10.736 -4.263 1.00 0.00 C ATOM 190 O LEU A 16 -11.346 11.419 -4.362 1.00 0.00 O ATOM 191 CB LEU A 16 -9.643 9.097 -6.109 1.00 0.00 C ATOM 192 CG LEU A 16 -8.705 8.740 -7.264 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.279 7.273 -7.191 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.340 9.087 -8.612 1.00 0.00 C ATOM 0 H LEU A 16 -7.497 9.823 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.743 11.196 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.525 8.348 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.670 9.026 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.801 9.342 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.613 7.046 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.759 7.091 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.161 6.635 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.653 8.824 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.269 8.529 -8.731 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.551 10.156 -8.650 1.00 0.00 H new ATOM 206 N ASN A 17 -9.907 10.175 -3.140 1.00 0.00 N ATOM 207 CA ASN A 17 -10.647 10.334 -1.900 1.00 0.00 C ATOM 208 C ASN A 17 -9.869 11.259 -0.961 1.00 0.00 C ATOM 209 O ASN A 17 -8.743 10.951 -0.574 1.00 0.00 O ATOM 210 CB ASN A 17 -10.833 8.990 -1.193 1.00 0.00 C ATOM 211 CG ASN A 17 -11.779 8.082 -1.981 1.00 0.00 C ATOM 212 OD1 ASN A 17 -12.988 8.112 -1.819 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.164 7.275 -2.840 1.00 0.00 N ATOM 0 H ASN A 17 -9.062 9.609 -3.062 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.624 10.752 -2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.866 8.500 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.231 9.154 -0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.708 6.630 -3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.148 7.301 -2.926 1.00 0.00 H new ATOM 220 N SER A 18 -10.500 12.374 -0.623 1.00 0.00 N ATOM 221 CA SER A 18 -9.881 13.345 0.262 1.00 0.00 C ATOM 222 C SER A 18 -9.903 12.828 1.702 1.00 0.00 C ATOM 223 O SER A 18 -10.632 13.352 2.543 1.00 0.00 O ATOM 224 CB SER A 18 -10.587 14.699 0.174 1.00 0.00 C ATOM 225 OG SER A 18 -9.662 15.783 0.153 1.00 0.00 O ATOM 0 H SER A 18 -11.434 12.626 -0.946 1.00 0.00 H new ATOM 0 HA SER A 18 -8.847 13.484 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.202 14.730 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.260 14.813 1.024 1.00 0.00 H new ATOM 0 HG SER A 18 -10.152 16.630 0.095 1.00 0.00 H new ATOM 231 N PHE A 19 -9.093 11.807 1.943 1.00 0.00 N ATOM 232 CA PHE A 19 -9.010 11.214 3.267 1.00 0.00 C ATOM 233 C PHE A 19 -8.028 10.041 3.282 1.00 0.00 C ATOM 234 O PHE A 19 -7.394 9.745 2.270 1.00 0.00 O ATOM 235 CB PHE A 19 -10.408 10.698 3.614 1.00 0.00 C ATOM 236 CG PHE A 19 -10.754 10.791 5.102 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.151 11.977 5.635 1.00 0.00 C ATOM 238 CD2 PHE A 19 -10.665 9.687 5.891 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.471 12.064 7.016 1.00 0.00 C ATOM 240 CE2 PHE A 19 -10.986 9.773 7.271 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.383 10.959 7.805 1.00 0.00 C ATOM 0 H PHE A 19 -8.489 11.376 1.244 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.660 11.955 3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.145 11.264 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.490 9.658 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.223 12.853 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.350 8.745 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.784 13.007 7.440 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.915 8.896 7.897 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.628 11.024 8.855 1.00 0.00 H new ATOM 251 N ARG A 20 -7.934 9.405 4.440 1.00 0.00 N ATOM 252 CA ARG A 20 -7.040 8.270 4.600 1.00 0.00 C ATOM 253 C ARG A 20 -7.832 7.019 4.984 1.00 0.00 C ATOM 254 O ARG A 20 -8.682 7.067 5.872 1.00 0.00 O ATOM 255 CB ARG A 20 -5.985 8.547 5.673 1.00 0.00 C ATOM 256 CG ARG A 20 -5.012 9.637 5.218 1.00 0.00 C ATOM 257 CD ARG A 20 -5.549 11.028 5.560 1.00 0.00 C ATOM 258 NE ARG A 20 -4.590 12.064 5.115 1.00 0.00 N ATOM 259 CZ ARG A 20 -4.802 13.382 5.227 1.00 0.00 C ATOM 260 NH1 ARG A 20 -5.941 13.834 5.769 1.00 0.00 N ATOM 261 NH2 ARG A 20 -3.875 14.249 4.797 1.00 0.00 N ATOM 0 H ARG A 20 -8.462 9.654 5.277 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.538 8.107 3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.474 8.854 6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.435 7.632 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.044 9.489 5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.850 9.560 4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.514 11.183 5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.713 11.110 6.635 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.713 11.755 4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.647 13.174 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.102 14.838 5.854 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.008 13.905 4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.037 15.252 4.882 1.00 0.00 H new ATOM 275 N SER A 21 -7.527 5.930 4.295 1.00 0.00 N ATOM 276 CA SER A 21 -8.201 4.668 4.553 1.00 0.00 C ATOM 277 C SER A 21 -7.398 3.843 5.560 1.00 0.00 C ATOM 278 O SER A 21 -6.220 4.113 5.791 1.00 0.00 O ATOM 279 CB SER A 21 -8.402 3.877 3.259 1.00 0.00 C ATOM 280 OG SER A 21 -9.462 4.408 2.468 1.00 0.00 O ATOM 0 H SER A 21 -6.822 5.895 3.558 1.00 0.00 H new ATOM 0 HA SER A 21 -9.184 4.884 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.478 3.887 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.616 2.836 3.500 1.00 0.00 H new ATOM 0 HG SER A 21 -9.558 3.877 1.650 1.00 0.00 H new ATOM 286 N GLU A 22 -8.067 2.853 6.132 1.00 0.00 N ATOM 287 CA GLU A 22 -7.430 1.986 7.110 1.00 0.00 C ATOM 288 C GLU A 22 -7.518 0.526 6.661 1.00 0.00 C ATOM 289 O GLU A 22 -8.546 -0.124 6.846 1.00 0.00 O ATOM 290 CB GLU A 22 -8.052 2.172 8.495 1.00 0.00 C ATOM 291 CG GLU A 22 -7.356 1.287 9.532 1.00 0.00 C ATOM 292 CD GLU A 22 -7.989 1.461 10.914 1.00 0.00 C ATOM 293 OE1 GLU A 22 -9.056 0.847 11.131 1.00 0.00 O ATOM 294 OE2 GLU A 22 -7.392 2.205 11.722 1.00 0.00 O ATOM 0 H GLU A 22 -9.043 2.632 5.937 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.378 2.262 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.976 3.217 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.114 1.928 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.422 0.243 9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.297 1.540 9.579 1.00 0.00 H new ATOM 301 N LYS A 23 -6.425 0.052 6.079 1.00 0.00 N ATOM 302 CA LYS A 23 -6.366 -1.319 5.603 1.00 0.00 C ATOM 303 C LYS A 23 -5.139 -2.010 6.201 1.00 0.00 C ATOM 304 O LYS A 23 -4.373 -1.392 6.940 1.00 0.00 O ATOM 305 CB LYS A 23 -6.408 -1.357 4.074 1.00 0.00 C ATOM 306 CG LYS A 23 -7.839 -1.181 3.560 1.00 0.00 C ATOM 307 CD LYS A 23 -8.296 -2.413 2.777 1.00 0.00 C ATOM 308 CE LYS A 23 -8.989 -2.009 1.475 1.00 0.00 C ATOM 309 NZ LYS A 23 -8.642 -2.953 0.388 1.00 0.00 N ATOM 0 H LYS A 23 -5.574 0.593 5.927 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.241 -1.876 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.773 -0.569 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.004 -2.305 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.512 -1.009 4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.894 -0.299 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.437 -3.046 2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.978 -3.004 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.069 -1.994 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.691 -0.998 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.051 -2.617 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.608 -3.011 0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.023 -3.895 0.611 1.00 0.00 H new ATOM 323 N ARG A 24 -4.990 -3.281 5.860 1.00 0.00 N ATOM 324 CA ARG A 24 -3.869 -4.062 6.355 1.00 0.00 C ATOM 325 C ARG A 24 -3.245 -4.874 5.218 1.00 0.00 C ATOM 326 O ARG A 24 -3.946 -5.319 4.311 1.00 0.00 O ATOM 327 CB ARG A 24 -4.310 -5.014 7.469 1.00 0.00 C ATOM 328 CG ARG A 24 -3.188 -5.989 7.833 1.00 0.00 C ATOM 329 CD ARG A 24 -3.674 -7.030 8.843 1.00 0.00 C ATOM 330 NE ARG A 24 -2.828 -8.243 8.766 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.221 -9.460 9.167 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.449 -9.634 9.674 1.00 0.00 N ATOM 333 NH2 ARG A 24 -2.386 -10.502 9.059 1.00 0.00 N ATOM 0 H ARG A 24 -5.627 -3.790 5.247 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.132 -3.367 6.757 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.598 -4.440 8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.191 -5.571 7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.830 -6.489 6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.344 -5.439 8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.639 -6.615 9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.713 -7.288 8.640 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.887 -8.146 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.085 -8.840 9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.748 -10.560 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.452 -10.369 8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.684 -11.428 9.364 1.00 0.00 H new ATOM 347 N TYR A 25 -1.933 -5.042 5.304 1.00 0.00 N ATOM 348 CA TYR A 25 -1.207 -5.792 4.294 1.00 0.00 C ATOM 349 C TYR A 25 0.044 -6.442 4.888 1.00 0.00 C ATOM 350 O TYR A 25 0.724 -5.843 5.719 1.00 0.00 O ATOM 351 CB TYR A 25 -0.784 -4.772 3.235 1.00 0.00 C ATOM 352 CG TYR A 25 -1.925 -3.883 2.735 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.699 -4.289 1.667 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.180 -2.676 3.353 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.773 -3.452 1.198 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.253 -1.839 2.883 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.997 -2.269 1.829 1.00 0.00 C ATOM 358 OH TYR A 25 -5.011 -1.479 1.385 1.00 0.00 O ATOM 0 H TYR A 25 -1.355 -4.671 6.058 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.830 -6.587 3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.001 -4.139 3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.352 -5.303 2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.499 -5.234 1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.575 -2.359 4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.387 -3.757 0.364 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.462 -0.891 3.357 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.859 -1.965 1.455 1.00 0.00 H new ATOM 368 N SER A 26 0.311 -7.659 4.437 1.00 0.00 N ATOM 369 CA SER A 26 1.468 -8.397 4.913 1.00 0.00 C ATOM 370 C SER A 26 2.749 -7.788 4.339 1.00 0.00 C ATOM 371 O SER A 26 2.859 -7.592 3.129 1.00 0.00 O ATOM 372 CB SER A 26 1.370 -9.877 4.540 1.00 0.00 C ATOM 373 OG SER A 26 2.423 -10.644 5.116 1.00 0.00 O ATOM 0 H SER A 26 -0.255 -8.152 3.746 1.00 0.00 H new ATOM 0 HA SER A 26 1.495 -8.326 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.410 -10.272 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.398 -9.980 3.455 1.00 0.00 H new ATOM 0 HG SER A 26 2.987 -11.012 4.404 1.00 0.00 H new ATOM 379 N ARG A 27 3.686 -7.507 5.233 1.00 0.00 N ATOM 380 CA ARG A 27 4.955 -6.926 4.830 1.00 0.00 C ATOM 381 C ARG A 27 5.575 -7.741 3.693 1.00 0.00 C ATOM 382 O ARG A 27 6.429 -7.242 2.962 1.00 0.00 O ATOM 383 CB ARG A 27 5.934 -6.873 6.004 1.00 0.00 C ATOM 384 CG ARG A 27 5.537 -5.781 7.000 1.00 0.00 C ATOM 385 CD ARG A 27 6.634 -5.568 8.046 1.00 0.00 C ATOM 386 NE ARG A 27 6.216 -6.147 9.342 1.00 0.00 N ATOM 387 CZ ARG A 27 6.848 -5.925 10.503 1.00 0.00 C ATOM 388 NH1 ARG A 27 7.931 -5.136 10.535 1.00 0.00 N ATOM 389 NH2 ARG A 27 6.398 -6.492 11.630 1.00 0.00 N ATOM 0 H ARG A 27 3.591 -7.671 6.235 1.00 0.00 H new ATOM 0 HA ARG A 27 4.761 -5.909 4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.956 -7.839 6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.942 -6.684 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.351 -4.848 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.606 -6.056 7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.561 -6.034 7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.836 -4.503 8.162 1.00 0.00 H new ATOM 0 HE ARG A 27 5.396 -6.753 9.353 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.274 -4.705 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.413 -4.966 11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.574 -7.093 11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.879 -6.323 12.513 1.00 0.00 H new ATOM 403 N SER A 28 5.121 -8.980 3.581 1.00 0.00 N ATOM 404 CA SER A 28 5.621 -9.869 2.546 1.00 0.00 C ATOM 405 C SER A 28 5.134 -9.401 1.173 1.00 0.00 C ATOM 406 O SER A 28 5.863 -9.494 0.187 1.00 0.00 O ATOM 407 CB SER A 28 5.183 -11.313 2.800 1.00 0.00 C ATOM 408 OG SER A 28 3.789 -11.496 2.567 1.00 0.00 O ATOM 0 H SER A 28 4.412 -9.390 4.190 1.00 0.00 H new ATOM 0 HA SER A 28 6.710 -9.839 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.750 -11.983 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.418 -11.588 3.828 1.00 0.00 H new ATOM 0 HG SER A 28 3.549 -12.430 2.738 1.00 0.00 H new ATOM 414 N LEU A 29 3.905 -8.907 1.154 1.00 0.00 N ATOM 415 CA LEU A 29 3.311 -8.424 -0.081 1.00 0.00 C ATOM 416 C LEU A 29 4.343 -7.593 -0.846 1.00 0.00 C ATOM 417 O LEU A 29 4.815 -6.571 -0.349 1.00 0.00 O ATOM 418 CB LEU A 29 2.009 -7.673 0.207 1.00 0.00 C ATOM 419 CG LEU A 29 0.735 -8.520 0.215 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.510 -7.636 0.320 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.682 -9.442 -1.005 1.00 0.00 C ATOM 0 H LEU A 29 3.304 -8.831 1.975 1.00 0.00 H new ATOM 0 HA LEU A 29 3.034 -9.260 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.102 -7.183 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.894 -6.886 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 29 0.753 -9.157 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.402 -8.263 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.469 -7.058 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.547 -6.957 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.233 -10.033 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.697 -8.842 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.545 -10.108 -0.995 1.00 0.00 H new ATOM 433 N THR A 30 4.663 -8.062 -2.044 1.00 0.00 N ATOM 434 CA THR A 30 5.630 -7.375 -2.882 1.00 0.00 C ATOM 435 C THR A 30 5.023 -6.094 -3.458 1.00 0.00 C ATOM 436 O THR A 30 3.870 -6.088 -3.887 1.00 0.00 O ATOM 437 CB THR A 30 6.108 -8.356 -3.955 1.00 0.00 C ATOM 438 OG1 THR A 30 4.949 -9.127 -4.260 1.00 0.00 O ATOM 439 CG2 THR A 30 7.104 -9.381 -3.409 1.00 0.00 C ATOM 0 H THR A 30 4.269 -8.909 -2.453 1.00 0.00 H new ATOM 0 HA THR A 30 6.497 -7.055 -2.304 1.00 0.00 H new ATOM 0 HB THR A 30 6.568 -7.803 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.168 -9.788 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.411 -10.053 -4.211 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.978 -8.864 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.633 -9.958 -2.613 1.00 0.00 H new ATOM 447 N ILE A 31 5.826 -5.040 -3.449 1.00 0.00 N ATOM 448 CA ILE A 31 5.381 -3.756 -3.965 1.00 0.00 C ATOM 449 C ILE A 31 4.409 -3.986 -5.124 1.00 0.00 C ATOM 450 O ILE A 31 3.334 -3.390 -5.164 1.00 0.00 O ATOM 451 CB ILE A 31 6.582 -2.882 -4.333 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.553 -2.761 -3.157 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.128 -1.514 -4.844 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.802 -2.496 -1.850 1.00 0.00 C ATOM 0 H ILE A 31 6.782 -5.049 -3.093 1.00 0.00 H new ATOM 0 HA ILE A 31 4.837 -3.204 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 31 7.121 -3.367 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.136 -3.678 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.259 -1.952 -3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.001 -0.913 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.506 -1.644 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.553 -1.008 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.516 -2.414 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.240 -1.566 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.115 -3.319 -1.652 1.00 0.00 H new ATOM 466 N ALA A 32 4.823 -4.852 -6.038 1.00 0.00 N ATOM 467 CA ALA A 32 4.002 -5.167 -7.195 1.00 0.00 C ATOM 468 C ALA A 32 2.616 -5.612 -6.725 1.00 0.00 C ATOM 469 O ALA A 32 1.613 -4.975 -7.047 1.00 0.00 O ATOM 470 CB ALA A 32 4.701 -6.234 -8.041 1.00 0.00 C ATOM 0 H ALA A 32 5.715 -5.345 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 32 3.870 -4.286 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.086 -6.471 -8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.669 -5.858 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.847 -7.134 -7.444 1.00 0.00 H new ATOM 476 N GLU A 33 2.603 -6.702 -5.971 1.00 0.00 N ATOM 477 CA GLU A 33 1.356 -7.239 -5.453 1.00 0.00 C ATOM 478 C GLU A 33 0.611 -6.172 -4.648 1.00 0.00 C ATOM 479 O GLU A 33 -0.562 -5.903 -4.902 1.00 0.00 O ATOM 480 CB GLU A 33 1.606 -8.489 -4.607 1.00 0.00 C ATOM 481 CG GLU A 33 2.108 -9.646 -5.474 1.00 0.00 C ATOM 482 CD GLU A 33 0.979 -10.633 -5.776 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.128 -10.149 -6.098 1.00 0.00 O ATOM 484 OE2 GLU A 33 1.248 -11.850 -5.679 1.00 0.00 O ATOM 0 H GLU A 33 3.436 -7.228 -5.707 1.00 0.00 H new ATOM 0 HA GLU A 33 0.731 -7.531 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.338 -8.267 -3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.685 -8.781 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.515 -9.256 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.921 -10.162 -4.963 1.00 0.00 H new ATOM 491 N PHE A 34 1.324 -5.592 -3.694 1.00 0.00 N ATOM 492 CA PHE A 34 0.746 -4.560 -2.850 1.00 0.00 C ATOM 493 C PHE A 34 -0.159 -3.631 -3.661 1.00 0.00 C ATOM 494 O PHE A 34 -1.258 -3.292 -3.224 1.00 0.00 O ATOM 495 CB PHE A 34 1.909 -3.747 -2.277 1.00 0.00 C ATOM 496 CG PHE A 34 1.484 -2.683 -1.263 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.205 -2.656 -0.801 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.385 -1.763 -0.825 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.189 -1.668 0.140 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.991 -0.775 0.116 1.00 0.00 C ATOM 501 CZ PHE A 34 0.712 -0.748 0.578 1.00 0.00 C ATOM 0 H PHE A 34 2.297 -5.817 -3.487 1.00 0.00 H new ATOM 0 HA PHE A 34 0.143 -5.016 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.614 -4.427 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.439 -3.262 -3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.511 -3.386 -1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.400 -1.784 -1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.204 -1.647 0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.707 -0.045 0.465 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.412 0.004 1.293 1.00 0.00 H new ATOM 511 N LYS A 35 0.336 -3.247 -4.829 1.00 0.00 N ATOM 512 CA LYS A 35 -0.415 -2.364 -5.705 1.00 0.00 C ATOM 513 C LYS A 35 -1.711 -3.056 -6.131 1.00 0.00 C ATOM 514 O LYS A 35 -2.788 -2.469 -6.049 1.00 0.00 O ATOM 515 CB LYS A 35 0.454 -1.910 -6.880 1.00 0.00 C ATOM 516 CG LYS A 35 1.746 -1.255 -6.386 1.00 0.00 C ATOM 517 CD LYS A 35 2.889 -1.480 -7.377 1.00 0.00 C ATOM 518 CE LYS A 35 3.637 -0.176 -7.657 1.00 0.00 C ATOM 519 NZ LYS A 35 3.276 0.352 -8.992 1.00 0.00 N ATOM 0 H LYS A 35 1.247 -3.531 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.698 -1.454 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.694 -2.766 -7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.102 -1.205 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.586 -0.186 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.017 -1.666 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.581 -2.221 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.493 -1.883 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.396 0.560 -6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.712 -0.348 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.409 1.383 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.884 -0.085 -9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.281 0.129 -9.196 1.00 0.00 H new ATOM 533 N CYS A 36 -1.564 -4.296 -6.576 1.00 0.00 N ATOM 534 CA CYS A 36 -2.710 -5.074 -7.015 1.00 0.00 C ATOM 535 C CYS A 36 -3.817 -4.930 -5.969 1.00 0.00 C ATOM 536 O CYS A 36 -5.000 -4.939 -6.306 1.00 0.00 O ATOM 537 CB CYS A 36 -2.339 -6.539 -7.256 1.00 0.00 C ATOM 538 SG CYS A 36 -3.239 -7.180 -8.715 1.00 0.00 S ATOM 0 H CYS A 36 -0.669 -4.781 -6.642 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.066 -4.695 -7.973 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.264 -6.630 -7.413 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.584 -7.134 -6.377 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.725 -6.185 -9.396 1.00 0.00 H new ATOM 544 N LYS A 37 -3.394 -4.801 -4.720 1.00 0.00 N ATOM 545 CA LYS A 37 -4.335 -4.656 -3.622 1.00 0.00 C ATOM 546 C LYS A 37 -4.962 -3.261 -3.675 1.00 0.00 C ATOM 547 O LYS A 37 -6.178 -3.118 -3.565 1.00 0.00 O ATOM 548 CB LYS A 37 -3.657 -4.975 -2.289 1.00 0.00 C ATOM 549 CG LYS A 37 -3.049 -6.379 -2.305 1.00 0.00 C ATOM 550 CD LYS A 37 -3.949 -7.375 -1.570 1.00 0.00 C ATOM 551 CE LYS A 37 -3.560 -8.816 -1.905 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.695 -9.731 -1.650 1.00 0.00 N ATOM 0 H LYS A 37 -2.412 -4.794 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.148 -5.376 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.878 -4.240 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.383 -4.899 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.905 -6.705 -3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.065 -6.358 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.873 -7.215 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.989 -7.202 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.258 -8.884 -2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.701 -9.116 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.415 -10.705 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.965 -9.678 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.504 -9.453 -2.241 1.00 0.00 H new ATOM 566 N LEU A 38 -4.102 -2.267 -3.843 1.00 0.00 N ATOM 567 CA LEU A 38 -4.556 -0.888 -3.912 1.00 0.00 C ATOM 568 C LEU A 38 -5.547 -0.739 -5.068 1.00 0.00 C ATOM 569 O LEU A 38 -6.495 0.039 -4.980 1.00 0.00 O ATOM 570 CB LEU A 38 -3.362 0.065 -3.998 1.00 0.00 C ATOM 571 CG LEU A 38 -2.218 -0.203 -3.018 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.319 1.027 -2.875 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.753 -0.682 -1.668 1.00 0.00 C ATOM 0 H LEU A 38 -3.093 -2.389 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.087 -0.615 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.963 0.025 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.721 1.081 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.603 -1.006 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.514 0.810 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.895 1.282 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.907 1.866 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.919 -0.865 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.405 0.081 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.317 -1.604 -1.807 1.00 0.00 H new ATOM 585 N GLU A 39 -5.293 -1.497 -6.124 1.00 0.00 N ATOM 586 CA GLU A 39 -6.151 -1.458 -7.296 1.00 0.00 C ATOM 587 C GLU A 39 -7.622 -1.520 -6.880 1.00 0.00 C ATOM 588 O GLU A 39 -8.487 -0.971 -7.560 1.00 0.00 O ATOM 589 CB GLU A 39 -5.807 -2.592 -8.265 1.00 0.00 C ATOM 590 CG GLU A 39 -4.404 -2.408 -8.848 1.00 0.00 C ATOM 591 CD GLU A 39 -4.172 -3.358 -10.025 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.235 -4.583 -9.787 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.935 -2.836 -11.136 1.00 0.00 O ATOM 0 H GLU A 39 -4.506 -2.142 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.980 -0.515 -7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.867 -3.549 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.539 -2.620 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.275 -1.377 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.658 -2.592 -8.075 1.00 0.00 H new ATOM 600 N LEU A 40 -7.860 -2.194 -5.764 1.00 0.00 N ATOM 601 CA LEU A 40 -9.211 -2.335 -5.249 1.00 0.00 C ATOM 602 C LEU A 40 -9.482 -1.226 -4.230 1.00 0.00 C ATOM 603 O LEU A 40 -10.626 -0.817 -4.042 1.00 0.00 O ATOM 604 CB LEU A 40 -9.429 -3.745 -4.696 1.00 0.00 C ATOM 605 CG LEU A 40 -9.768 -3.836 -3.207 1.00 0.00 C ATOM 606 CD1 LEU A 40 -11.222 -3.436 -2.950 1.00 0.00 C ATOM 607 CD2 LEU A 40 -9.450 -5.228 -2.657 1.00 0.00 C ATOM 0 H LEU A 40 -7.140 -2.648 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.939 -2.216 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.234 -4.215 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.527 -4.329 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.140 -3.126 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.437 -3.510 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.381 -2.410 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.886 -4.103 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.700 -5.266 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.035 -5.974 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.388 -5.437 -2.787 1.00 0.00 H new ATOM 619 N VAL A 41 -8.409 -0.772 -3.598 1.00 0.00 N ATOM 620 CA VAL A 41 -8.517 0.281 -2.603 1.00 0.00 C ATOM 621 C VAL A 41 -8.863 1.600 -3.298 1.00 0.00 C ATOM 622 O VAL A 41 -9.722 2.345 -2.830 1.00 0.00 O ATOM 623 CB VAL A 41 -7.228 0.359 -1.782 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.354 1.393 -0.661 1.00 0.00 C ATOM 625 CG2 VAL A 41 -6.852 -1.014 -1.221 1.00 0.00 C ATOM 0 H VAL A 41 -7.461 -1.114 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.322 0.062 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.426 0.681 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.425 1.429 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.554 2.374 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.174 1.114 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.932 -0.931 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.654 -1.377 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.701 -1.714 -2.043 1.00 0.00 H new ATOM 635 N VAL A 42 -8.176 1.847 -4.403 1.00 0.00 N ATOM 636 CA VAL A 42 -8.400 3.063 -5.167 1.00 0.00 C ATOM 637 C VAL A 42 -9.359 2.765 -6.322 1.00 0.00 C ATOM 638 O VAL A 42 -10.145 3.625 -6.718 1.00 0.00 O ATOM 639 CB VAL A 42 -7.063 3.641 -5.635 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.457 4.553 -4.567 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.089 2.526 -6.022 1.00 0.00 C ATOM 0 H VAL A 42 -7.464 1.226 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.868 3.825 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.251 4.244 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.507 4.951 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.141 5.376 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.290 3.983 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.147 2.964 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.909 1.884 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.516 1.934 -6.832 1.00 0.00 H new ATOM 651 N GLY A 43 -9.264 1.544 -6.828 1.00 0.00 N ATOM 652 CA GLY A 43 -10.113 1.123 -7.929 1.00 0.00 C ATOM 653 C GLY A 43 -9.436 1.385 -9.276 1.00 0.00 C ATOM 654 O GLY A 43 -10.018 1.125 -10.328 1.00 0.00 O ATOM 0 H GLY A 43 -8.612 0.833 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.340 0.061 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.062 1.657 -7.885 1.00 0.00 H new ATOM 658 N SER A 44 -8.217 1.897 -9.199 1.00 0.00 N ATOM 659 CA SER A 44 -7.454 2.197 -10.399 1.00 0.00 C ATOM 660 C SER A 44 -6.407 1.108 -10.640 1.00 0.00 C ATOM 661 O SER A 44 -6.232 0.216 -9.811 1.00 0.00 O ATOM 662 CB SER A 44 -6.781 3.567 -10.295 1.00 0.00 C ATOM 663 OG SER A 44 -7.211 4.287 -9.143 1.00 0.00 O ATOM 0 H SER A 44 -7.738 2.112 -8.324 1.00 0.00 H new ATOM 0 HA SER A 44 -8.142 2.223 -11.244 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.699 3.438 -10.259 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.003 4.149 -11.190 1.00 0.00 H new ATOM 0 HG SER A 44 -6.757 5.155 -9.112 1.00 0.00 H new ATOM 669 N PRO A 45 -5.720 1.219 -11.808 1.00 0.00 N ATOM 670 CA PRO A 45 -4.695 0.254 -12.169 1.00 0.00 C ATOM 671 C PRO A 45 -3.418 0.482 -11.357 1.00 0.00 C ATOM 672 O PRO A 45 -3.008 1.622 -11.145 1.00 0.00 O ATOM 673 CB PRO A 45 -4.489 0.439 -13.663 1.00 0.00 C ATOM 674 CG PRO A 45 -5.063 1.807 -13.997 1.00 0.00 C ATOM 675 CD PRO A 45 -5.900 2.262 -12.813 1.00 0.00 C ATOM 0 HA PRO A 45 -4.986 -0.772 -11.945 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.431 0.386 -13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.994 -0.345 -14.227 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.262 2.519 -14.195 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.673 1.755 -14.899 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.567 3.231 -12.442 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.949 2.370 -13.088 1.00 0.00 H new ATOM 683 N ALA A 46 -2.826 -0.622 -10.924 1.00 0.00 N ATOM 684 CA ALA A 46 -1.605 -0.557 -10.140 1.00 0.00 C ATOM 685 C ALA A 46 -0.430 -0.223 -11.061 1.00 0.00 C ATOM 686 O ALA A 46 0.618 0.226 -10.598 1.00 0.00 O ATOM 687 CB ALA A 46 -1.405 -1.879 -9.396 1.00 0.00 C ATOM 0 H ALA A 46 -3.170 -1.566 -11.101 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.671 0.232 -9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.489 -1.830 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.253 -2.056 -8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.331 -2.694 -10.116 1.00 0.00 H new ATOM 693 N SER A 47 -0.643 -0.455 -12.348 1.00 0.00 N ATOM 694 CA SER A 47 0.385 -0.184 -13.338 1.00 0.00 C ATOM 695 C SER A 47 0.389 1.303 -13.695 1.00 0.00 C ATOM 696 O SER A 47 1.121 1.729 -14.587 1.00 0.00 O ATOM 697 CB SER A 47 0.177 -1.031 -14.594 1.00 0.00 C ATOM 698 OG SER A 47 1.394 -1.614 -15.054 1.00 0.00 O ATOM 0 H SER A 47 -1.513 -0.828 -12.728 1.00 0.00 H new ATOM 0 HA SER A 47 1.351 -0.450 -12.909 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.546 -1.819 -14.384 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.249 -0.411 -15.383 1.00 0.00 H new ATOM 0 HG SER A 47 1.218 -2.148 -15.857 1.00 0.00 H new ATOM 704 N CYS A 48 -0.437 2.053 -12.980 1.00 0.00 N ATOM 705 CA CYS A 48 -0.538 3.484 -13.210 1.00 0.00 C ATOM 706 C CYS A 48 -0.311 4.202 -11.879 1.00 0.00 C ATOM 707 O CYS A 48 0.659 4.943 -11.727 1.00 0.00 O ATOM 708 CB CYS A 48 -1.880 3.862 -13.841 1.00 0.00 C ATOM 709 SG CYS A 48 -1.940 3.287 -15.577 1.00 0.00 S ATOM 0 H CYS A 48 -1.043 1.696 -12.241 1.00 0.00 H new ATOM 0 HA CYS A 48 0.225 3.795 -13.924 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.697 3.416 -13.273 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.018 4.943 -13.802 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.084 3.611 -16.102 1.00 0.00 H new ATOM 715 N MET A 49 -1.222 3.958 -10.948 1.00 0.00 N ATOM 716 CA MET A 49 -1.133 4.572 -9.634 1.00 0.00 C ATOM 717 C MET A 49 0.291 4.481 -9.082 1.00 0.00 C ATOM 718 O MET A 49 1.016 3.532 -9.377 1.00 0.00 O ATOM 719 CB MET A 49 -2.098 3.870 -8.676 1.00 0.00 C ATOM 720 CG MET A 49 -1.405 2.717 -7.947 1.00 0.00 C ATOM 721 SD MET A 49 -2.533 1.962 -6.788 1.00 0.00 S ATOM 722 CE MET A 49 -3.853 1.500 -7.897 1.00 0.00 C ATOM 0 H MET A 49 -2.026 3.343 -11.078 1.00 0.00 H new ATOM 0 HA MET A 49 -1.400 5.625 -9.726 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.480 4.587 -7.949 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.956 3.491 -9.231 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.060 1.975 -8.667 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.524 3.085 -7.422 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.533 0.817 -7.388 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.398 2.392 -8.205 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.435 1.009 -8.776 1.00 0.00 H new ATOM 732 N GLU A 50 0.650 5.481 -8.290 1.00 0.00 N ATOM 733 CA GLU A 50 1.974 5.526 -7.694 1.00 0.00 C ATOM 734 C GLU A 50 1.884 5.299 -6.183 1.00 0.00 C ATOM 735 O GLU A 50 0.858 5.587 -5.569 1.00 0.00 O ATOM 736 CB GLU A 50 2.672 6.851 -8.009 1.00 0.00 C ATOM 737 CG GLU A 50 4.190 6.669 -8.075 1.00 0.00 C ATOM 738 CD GLU A 50 4.590 5.846 -9.301 1.00 0.00 C ATOM 739 OE1 GLU A 50 3.972 6.074 -10.364 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.505 5.009 -9.149 1.00 0.00 O ATOM 0 H GLU A 50 0.046 6.267 -8.047 1.00 0.00 H new ATOM 0 HA GLU A 50 2.574 4.725 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.307 7.241 -8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.423 7.588 -7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.676 7.644 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.540 6.173 -7.170 1.00 0.00 H new ATOM 747 N LEU A 51 2.972 4.785 -5.629 1.00 0.00 N ATOM 748 CA LEU A 51 3.029 4.517 -4.202 1.00 0.00 C ATOM 749 C LEU A 51 4.002 5.495 -3.541 1.00 0.00 C ATOM 750 O LEU A 51 5.015 5.864 -4.134 1.00 0.00 O ATOM 751 CB LEU A 51 3.367 3.046 -3.947 1.00 0.00 C ATOM 752 CG LEU A 51 2.449 2.021 -4.615 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.652 0.629 -4.014 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.987 2.467 -4.546 1.00 0.00 C ATOM 0 H LEU A 51 3.821 4.547 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 51 2.053 4.681 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.387 2.865 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.351 2.871 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 51 2.717 1.959 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.987 -0.081 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.687 0.318 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.427 0.657 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.356 1.721 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.689 2.576 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.874 3.423 -5.057 1.00 0.00 H new ATOM 766 N GLU A 52 3.661 5.886 -2.322 1.00 0.00 N ATOM 767 CA GLU A 52 4.492 6.815 -1.575 1.00 0.00 C ATOM 768 C GLU A 52 4.546 6.410 -0.100 1.00 0.00 C ATOM 769 O GLU A 52 3.530 6.035 0.482 1.00 0.00 O ATOM 770 CB GLU A 52 3.988 8.251 -1.731 1.00 0.00 C ATOM 771 CG GLU A 52 4.255 8.775 -3.143 1.00 0.00 C ATOM 772 CD GLU A 52 4.915 10.155 -3.100 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.378 11.018 -2.374 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.942 10.314 -3.795 1.00 0.00 O ATOM 0 H GLU A 52 2.821 5.577 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 52 5.503 6.774 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.919 8.290 -1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.480 8.894 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.898 8.077 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.318 8.833 -3.696 1.00 0.00 H new ATOM 781 N LEU A 53 5.743 6.499 0.462 1.00 0.00 N ATOM 782 CA LEU A 53 5.943 6.147 1.857 1.00 0.00 C ATOM 783 C LEU A 53 6.283 7.409 2.653 1.00 0.00 C ATOM 784 O LEU A 53 7.382 7.947 2.530 1.00 0.00 O ATOM 785 CB LEU A 53 6.988 5.038 1.985 1.00 0.00 C ATOM 786 CG LEU A 53 7.658 4.902 3.355 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.649 4.457 4.416 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.866 3.966 3.284 1.00 0.00 C ATOM 0 H LEU A 53 6.584 6.810 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 53 5.026 5.739 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.513 4.088 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.764 5.209 1.239 1.00 0.00 H new ATOM 0 HG LEU A 53 8.028 5.883 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.150 4.368 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.849 5.194 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.228 3.492 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.323 3.887 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.543 2.979 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.594 4.364 2.577 1.00 0.00 H new ATOM 800 N TYR A 54 5.320 7.843 3.453 1.00 0.00 N ATOM 801 CA TYR A 54 5.504 9.031 4.269 1.00 0.00 C ATOM 802 C TYR A 54 5.802 8.657 5.722 1.00 0.00 C ATOM 803 O TYR A 54 5.327 7.634 6.214 1.00 0.00 O ATOM 804 CB TYR A 54 4.177 9.791 4.212 1.00 0.00 C ATOM 805 CG TYR A 54 3.921 10.498 2.880 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.473 9.777 1.792 1.00 0.00 C ATOM 807 CD2 TYR A 54 4.138 11.856 2.766 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.232 10.442 0.537 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.898 12.521 1.512 1.00 0.00 C ATOM 810 CZ TYR A 54 3.457 11.782 0.459 1.00 0.00 C ATOM 811 OH TYR A 54 3.229 12.410 -0.725 1.00 0.00 O ATOM 0 H TYR A 54 4.410 7.393 3.553 1.00 0.00 H new ATOM 0 HA TYR A 54 6.341 9.624 3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.362 9.093 4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.159 10.530 5.013 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.303 8.714 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.488 12.420 3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.881 9.890 -0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.064 13.583 1.410 1.00 0.00 H new ATOM 0 HH TYR A 54 3.958 12.208 -1.348 1.00 0.00 H new ATOM 821 N GLY A 55 6.587 9.506 6.369 1.00 0.00 N ATOM 822 CA GLY A 55 6.954 9.277 7.756 1.00 0.00 C ATOM 823 C GLY A 55 5.712 9.183 8.644 1.00 0.00 C ATOM 824 O GLY A 55 4.878 8.298 8.460 1.00 0.00 O ATOM 0 H GLY A 55 6.979 10.353 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.533 8.357 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.594 10.087 8.105 1.00 0.00 H new ATOM 828 N ALA A 56 5.627 10.110 9.588 1.00 0.00 N ATOM 829 CA ALA A 56 4.500 10.143 10.505 1.00 0.00 C ATOM 830 C ALA A 56 3.595 11.325 10.151 1.00 0.00 C ATOM 831 O ALA A 56 2.482 11.135 9.663 1.00 0.00 O ATOM 832 CB ALA A 56 5.014 10.212 11.944 1.00 0.00 C ATOM 0 H ALA A 56 6.320 10.843 9.737 1.00 0.00 H new ATOM 0 HA ALA A 56 3.905 9.234 10.415 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.169 10.237 12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.627 9.335 12.154 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.613 11.113 12.073 1.00 0.00 H new ATOM 838 N ASP A 57 4.106 12.519 10.412 1.00 0.00 N ATOM 839 CA ASP A 57 3.358 13.731 10.128 1.00 0.00 C ATOM 840 C ASP A 57 3.083 13.815 8.625 1.00 0.00 C ATOM 841 O ASP A 57 1.955 14.078 8.211 1.00 0.00 O ATOM 842 CB ASP A 57 4.151 14.976 10.533 1.00 0.00 C ATOM 843 CG ASP A 57 3.366 16.005 11.349 1.00 0.00 C ATOM 844 OD1 ASP A 57 2.526 16.696 10.733 1.00 0.00 O ATOM 845 OD2 ASP A 57 3.624 16.078 12.570 1.00 0.00 O ATOM 0 H ASP A 57 5.029 12.673 10.817 1.00 0.00 H new ATOM 0 HA ASP A 57 2.429 13.694 10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.020 14.663 11.111 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.526 15.459 9.631 1.00 0.00 H new ATOM 850 N ASP A 58 4.133 13.587 7.850 1.00 0.00 N ATOM 851 CA ASP A 58 4.019 13.634 6.402 1.00 0.00 C ATOM 852 C ASP A 58 5.405 13.850 5.792 1.00 0.00 C ATOM 853 O ASP A 58 5.573 14.682 4.902 1.00 0.00 O ATOM 854 CB ASP A 58 3.121 14.790 5.957 1.00 0.00 C ATOM 855 CG ASP A 58 3.318 16.096 6.730 1.00 0.00 C ATOM 856 OD1 ASP A 58 4.279 16.819 6.388 1.00 0.00 O ATOM 857 OD2 ASP A 58 2.504 16.342 7.646 1.00 0.00 O ATOM 0 H ASP A 58 5.067 13.369 8.197 1.00 0.00 H new ATOM 0 HA ASP A 58 3.585 12.691 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.298 14.981 4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.080 14.481 6.055 1.00 0.00 H new ATOM 862 N LYS A 59 6.364 13.086 6.295 1.00 0.00 N ATOM 863 CA LYS A 59 7.730 13.183 5.811 1.00 0.00 C ATOM 864 C LYS A 59 7.968 12.108 4.750 1.00 0.00 C ATOM 865 O LYS A 59 8.259 10.959 5.079 1.00 0.00 O ATOM 866 CB LYS A 59 8.718 13.125 6.978 1.00 0.00 C ATOM 867 CG LYS A 59 9.311 14.506 7.264 1.00 0.00 C ATOM 868 CD LYS A 59 9.222 14.844 8.754 1.00 0.00 C ATOM 869 CE LYS A 59 9.174 16.357 8.971 1.00 0.00 C ATOM 870 NZ LYS A 59 9.274 16.677 10.413 1.00 0.00 N ATOM 0 H LYS A 59 6.221 12.397 7.033 1.00 0.00 H new ATOM 0 HA LYS A 59 7.896 14.147 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.213 12.751 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.519 12.422 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.352 14.532 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.780 15.261 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.332 14.383 9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.081 14.425 9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.990 16.834 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.245 16.759 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.240 17.708 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.481 16.237 10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.172 16.310 10.789 1.00 0.00 H new ATOM 884 N PHE A 60 7.836 12.518 3.497 1.00 0.00 N ATOM 885 CA PHE A 60 8.034 11.604 2.385 1.00 0.00 C ATOM 886 C PHE A 60 9.451 11.027 2.394 1.00 0.00 C ATOM 887 O PHE A 60 10.426 11.767 2.515 1.00 0.00 O ATOM 888 CB PHE A 60 7.834 12.411 1.101 1.00 0.00 C ATOM 889 CG PHE A 60 8.280 11.683 -0.168 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.510 10.689 -0.688 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.446 12.029 -0.777 1.00 0.00 C ATOM 892 CE1 PHE A 60 7.925 10.013 -1.866 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.860 11.353 -1.955 1.00 0.00 C ATOM 894 CZ PHE A 60 9.091 10.359 -2.475 1.00 0.00 C ATOM 0 H PHE A 60 7.594 13.471 3.227 1.00 0.00 H new ATOM 0 HA PHE A 60 7.332 10.774 2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.779 12.670 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.386 13.347 1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.584 10.414 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.057 12.818 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.314 9.224 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.786 11.628 -2.438 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.406 9.845 -3.371 1.00 0.00 H new ATOM 904 N TYR A 61 9.519 9.710 2.266 1.00 0.00 N ATOM 905 CA TYR A 61 10.801 9.025 2.259 1.00 0.00 C ATOM 906 C TYR A 61 11.161 8.550 0.849 1.00 0.00 C ATOM 907 O TYR A 61 11.961 9.183 0.163 1.00 0.00 O ATOM 908 CB TYR A 61 10.632 7.805 3.167 1.00 0.00 C ATOM 909 CG TYR A 61 10.629 8.137 4.660 1.00 0.00 C ATOM 910 CD1 TYR A 61 11.453 9.130 5.148 1.00 0.00 C ATOM 911 CD2 TYR A 61 9.801 7.443 5.519 1.00 0.00 C ATOM 912 CE1 TYR A 61 11.450 9.443 6.554 1.00 0.00 C ATOM 913 CE2 TYR A 61 9.798 7.755 6.925 1.00 0.00 C ATOM 914 CZ TYR A 61 10.623 8.739 7.373 1.00 0.00 C ATOM 915 OH TYR A 61 10.620 9.034 8.701 1.00 0.00 O ATOM 0 H TYR A 61 8.708 9.099 2.166 1.00 0.00 H new ATOM 0 HA TYR A 61 11.594 9.692 2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.698 7.304 2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.437 7.099 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 61 12.101 9.673 4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.155 6.666 5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.090 10.219 6.949 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.155 7.220 7.608 1.00 0.00 H new ATOM 0 HH TYR A 61 9.981 8.453 9.164 1.00 0.00 H new ATOM 925 N SER A 62 10.551 7.440 0.459 1.00 0.00 N ATOM 926 CA SER A 62 10.797 6.874 -0.856 1.00 0.00 C ATOM 927 C SER A 62 9.483 6.393 -1.473 1.00 0.00 C ATOM 928 O SER A 62 8.458 6.340 -0.795 1.00 0.00 O ATOM 929 CB SER A 62 11.801 5.722 -0.780 1.00 0.00 C ATOM 930 OG SER A 62 13.146 6.176 -0.912 1.00 0.00 O ATOM 0 H SER A 62 9.887 6.918 1.031 1.00 0.00 H new ATOM 0 HA SER A 62 11.224 7.652 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.685 5.203 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.584 4.999 -1.566 1.00 0.00 H new ATOM 0 HG SER A 62 13.756 5.411 -0.856 1.00 0.00 H new ATOM 936 N LYS A 63 9.555 6.054 -2.752 1.00 0.00 N ATOM 937 CA LYS A 63 8.383 5.579 -3.467 1.00 0.00 C ATOM 938 C LYS A 63 8.473 4.060 -3.633 1.00 0.00 C ATOM 939 O LYS A 63 9.510 3.537 -4.040 1.00 0.00 O ATOM 940 CB LYS A 63 8.220 6.333 -4.788 1.00 0.00 C ATOM 941 CG LYS A 63 8.671 7.788 -4.648 1.00 0.00 C ATOM 942 CD LYS A 63 10.194 7.902 -4.740 1.00 0.00 C ATOM 943 CE LYS A 63 10.604 9.111 -5.583 1.00 0.00 C ATOM 944 NZ LYS A 63 11.950 8.907 -6.163 1.00 0.00 N ATOM 0 H LYS A 63 10.407 6.099 -3.311 1.00 0.00 H new ATOM 0 HA LYS A 63 7.478 5.785 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.804 5.841 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.177 6.301 -5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.210 8.392 -5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.330 8.188 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.616 7.992 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.604 6.992 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.878 9.268 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.600 10.010 -4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.212 9.737 -6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.642 8.779 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.943 8.061 -6.768 1.00 0.00 H new ATOM 958 N LEU A 64 7.374 3.396 -3.310 1.00 0.00 N ATOM 959 CA LEU A 64 7.315 1.948 -3.419 1.00 0.00 C ATOM 960 C LEU A 64 7.178 1.556 -4.891 1.00 0.00 C ATOM 961 O LEU A 64 6.077 1.273 -5.362 1.00 0.00 O ATOM 962 CB LEU A 64 6.205 1.388 -2.527 1.00 0.00 C ATOM 963 CG LEU A 64 6.369 1.623 -1.024 1.00 0.00 C ATOM 964 CD1 LEU A 64 7.809 2.012 -0.684 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.361 2.657 -0.517 1.00 0.00 C ATOM 0 H LEU A 64 6.517 3.834 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 64 8.240 1.501 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.258 1.826 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.133 0.314 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 64 6.157 0.687 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.898 2.173 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.484 1.212 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.073 2.929 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.499 2.805 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.516 3.602 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.348 2.301 -0.706 1.00 0.00 H new ATOM 977 N ASP A 65 8.311 1.552 -5.578 1.00 0.00 N ATOM 978 CA ASP A 65 8.331 1.200 -6.987 1.00 0.00 C ATOM 979 C ASP A 65 8.923 -0.202 -7.150 1.00 0.00 C ATOM 980 O ASP A 65 8.310 -1.071 -7.768 1.00 0.00 O ATOM 981 CB ASP A 65 9.197 2.175 -7.787 1.00 0.00 C ATOM 982 CG ASP A 65 9.391 1.810 -9.260 1.00 0.00 C ATOM 983 OD1 ASP A 65 10.194 0.887 -9.515 1.00 0.00 O ATOM 984 OD2 ASP A 65 8.731 2.462 -10.098 1.00 0.00 O ATOM 0 H ASP A 65 9.222 1.787 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 65 7.307 1.240 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.748 3.167 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.176 2.241 -7.313 1.00 0.00 H new ATOM 989 N GLN A 66 10.108 -0.377 -6.585 1.00 0.00 N ATOM 990 CA GLN A 66 10.790 -1.658 -6.659 1.00 0.00 C ATOM 991 C GLN A 66 9.803 -2.801 -6.412 1.00 0.00 C ATOM 992 O GLN A 66 9.253 -2.924 -5.319 1.00 0.00 O ATOM 993 CB GLN A 66 11.956 -1.717 -5.670 1.00 0.00 C ATOM 994 CG GLN A 66 12.896 -2.879 -5.999 1.00 0.00 C ATOM 995 CD GLN A 66 13.949 -2.457 -7.027 1.00 0.00 C ATOM 996 OE1 GLN A 66 14.555 -1.403 -6.936 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.131 -3.338 -8.006 1.00 0.00 N ATOM 0 H GLN A 66 10.614 0.347 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 66 11.202 -1.770 -7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.509 -0.778 -5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.572 -1.831 -4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.388 -3.223 -5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.320 -3.719 -6.387 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.589 -4.202 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.812 -3.150 -8.741 1.00 0.00 H new ATOM 1006 N GLU A 67 9.608 -3.606 -7.446 1.00 0.00 N ATOM 1007 CA GLU A 67 8.697 -4.734 -7.354 1.00 0.00 C ATOM 1008 C GLU A 67 9.343 -5.876 -6.566 1.00 0.00 C ATOM 1009 O GLU A 67 8.685 -6.522 -5.751 1.00 0.00 O ATOM 1010 CB GLU A 67 8.265 -5.204 -8.745 1.00 0.00 C ATOM 1011 CG GLU A 67 7.407 -4.144 -9.439 1.00 0.00 C ATOM 1012 CD GLU A 67 7.807 -3.992 -10.908 1.00 0.00 C ATOM 1013 OE1 GLU A 67 7.489 -4.921 -11.682 1.00 0.00 O ATOM 1014 OE2 GLU A 67 8.422 -2.950 -11.224 1.00 0.00 O ATOM 0 H GLU A 67 10.065 -3.499 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 67 7.803 -4.411 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.146 -5.418 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.703 -6.134 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.355 -4.421 -9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.518 -3.188 -8.927 1.00 0.00 H new ATOM 1021 N ASP A 68 10.622 -6.090 -6.836 1.00 0.00 N ATOM 1022 CA ASP A 68 11.363 -7.142 -6.162 1.00 0.00 C ATOM 1023 C ASP A 68 11.492 -6.798 -4.677 1.00 0.00 C ATOM 1024 O ASP A 68 11.846 -7.654 -3.867 1.00 0.00 O ATOM 1025 CB ASP A 68 12.773 -7.279 -6.740 1.00 0.00 C ATOM 1026 CG ASP A 68 13.051 -8.599 -7.462 1.00 0.00 C ATOM 1027 OD1 ASP A 68 12.239 -9.530 -7.274 1.00 0.00 O ATOM 1028 OD2 ASP A 68 14.069 -8.646 -8.186 1.00 0.00 O ATOM 0 H ASP A 68 11.164 -5.553 -7.513 1.00 0.00 H new ATOM 0 HA ASP A 68 10.823 -8.078 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.945 -6.458 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.494 -7.166 -5.930 1.00 0.00 H new ATOM 1033 N ALA A 69 11.199 -5.545 -4.365 1.00 0.00 N ATOM 1034 CA ALA A 69 11.277 -5.077 -2.991 1.00 0.00 C ATOM 1035 C ALA A 69 10.072 -5.602 -2.209 1.00 0.00 C ATOM 1036 O ALA A 69 8.971 -5.697 -2.748 1.00 0.00 O ATOM 1037 CB ALA A 69 11.362 -3.550 -2.975 1.00 0.00 C ATOM 0 H ALA A 69 10.907 -4.838 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 69 12.176 -5.458 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.420 -3.200 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.251 -3.229 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.475 -3.131 -3.451 1.00 0.00 H new ATOM 1043 N LEU A 70 10.322 -5.931 -0.950 1.00 0.00 N ATOM 1044 CA LEU A 70 9.271 -6.444 -0.087 1.00 0.00 C ATOM 1045 C LEU A 70 8.831 -5.345 0.882 1.00 0.00 C ATOM 1046 O LEU A 70 9.666 -4.684 1.498 1.00 0.00 O ATOM 1047 CB LEU A 70 9.726 -7.730 0.606 1.00 0.00 C ATOM 1048 CG LEU A 70 10.129 -8.882 -0.316 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.788 -10.013 0.476 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.932 -9.375 -1.132 1.00 0.00 C ATOM 0 H LEU A 70 11.237 -5.852 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 70 8.396 -6.720 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.573 -7.492 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.920 -8.075 1.254 1.00 0.00 H new ATOM 0 HG LEU A 70 10.870 -8.510 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.065 -10.819 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.681 -9.636 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.088 -10.391 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.245 -10.194 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.151 -9.724 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.546 -8.558 -1.742 1.00 0.00 H new ATOM 1062 N LEU A 71 7.520 -5.184 0.988 1.00 0.00 N ATOM 1063 CA LEU A 71 6.959 -4.177 1.872 1.00 0.00 C ATOM 1064 C LEU A 71 7.545 -4.351 3.274 1.00 0.00 C ATOM 1065 O LEU A 71 7.122 -5.230 4.023 1.00 0.00 O ATOM 1066 CB LEU A 71 5.430 -4.223 1.835 1.00 0.00 C ATOM 1067 CG LEU A 71 4.715 -2.874 1.944 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.250 -3.061 2.343 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.455 -1.937 2.901 1.00 0.00 C ATOM 0 H LEU A 71 6.830 -5.734 0.476 1.00 0.00 H new ATOM 0 HA LEU A 71 7.233 -3.178 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.123 -4.700 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.086 -4.861 2.649 1.00 0.00 H new ATOM 0 HG LEU A 71 4.723 -2.402 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.765 -2.087 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.743 -3.666 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.197 -3.563 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.926 -0.986 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.500 -2.390 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.467 -1.767 2.534 1.00 0.00 H new ATOM 1081 N GLY A 72 8.511 -3.500 3.587 1.00 0.00 N ATOM 1082 CA GLY A 72 9.160 -3.549 4.886 1.00 0.00 C ATOM 1083 C GLY A 72 10.584 -2.995 4.809 1.00 0.00 C ATOM 1084 O GLY A 72 10.942 -2.086 5.557 1.00 0.00 O ATOM 0 H GLY A 72 8.860 -2.772 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.581 -2.973 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.185 -4.578 5.245 1.00 0.00 H new ATOM 1088 N SER A 73 11.359 -3.566 3.898 1.00 0.00 N ATOM 1089 CA SER A 73 12.736 -3.140 3.714 1.00 0.00 C ATOM 1090 C SER A 73 12.817 -1.612 3.727 1.00 0.00 C ATOM 1091 O SER A 73 13.847 -1.045 4.091 1.00 0.00 O ATOM 1092 CB SER A 73 13.312 -3.690 2.408 1.00 0.00 C ATOM 1093 OG SER A 73 14.604 -4.262 2.594 1.00 0.00 O ATOM 0 H SER A 73 11.059 -4.320 3.280 1.00 0.00 H new ATOM 0 HA SER A 73 13.330 -3.536 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.637 -4.444 2.003 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.373 -2.888 1.672 1.00 0.00 H new ATOM 0 HG SER A 73 14.937 -4.603 1.738 1.00 0.00 H new ATOM 1099 N TYR A 74 11.719 -0.989 3.327 1.00 0.00 N ATOM 1100 CA TYR A 74 11.653 0.462 3.289 1.00 0.00 C ATOM 1101 C TYR A 74 11.407 1.037 4.685 1.00 0.00 C ATOM 1102 O TYR A 74 11.083 0.300 5.616 1.00 0.00 O ATOM 1103 CB TYR A 74 10.463 0.807 2.391 1.00 0.00 C ATOM 1104 CG TYR A 74 10.777 0.758 0.895 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.624 1.695 0.337 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.215 -0.222 0.103 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.920 1.650 -1.071 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.511 -0.267 -1.306 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.349 0.671 -1.823 1.00 0.00 C ATOM 1110 OH TYR A 74 11.628 0.628 -3.153 1.00 0.00 O ATOM 0 H TYR A 74 10.867 -1.463 3.026 1.00 0.00 H new ATOM 0 HA TYR A 74 12.590 0.879 2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.648 0.115 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.107 1.806 2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.064 2.462 0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.553 -0.955 0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.580 2.377 -1.520 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.077 -1.028 -1.937 1.00 0.00 H new ATOM 0 HH TYR A 74 12.527 0.985 -3.310 1.00 0.00 H new ATOM 1120 N PRO A 75 11.574 2.382 4.791 1.00 0.00 N ATOM 1121 CA PRO A 75 11.373 3.064 6.058 1.00 0.00 C ATOM 1122 C PRO A 75 9.883 3.189 6.384 1.00 0.00 C ATOM 1123 O PRO A 75 9.384 4.290 6.610 1.00 0.00 O ATOM 1124 CB PRO A 75 12.059 4.411 5.893 1.00 0.00 C ATOM 1125 CG PRO A 75 12.214 4.619 4.395 1.00 0.00 C ATOM 1126 CD PRO A 75 11.956 3.287 3.710 1.00 0.00 C ATOM 0 HA PRO A 75 11.795 2.517 6.901 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.465 5.209 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.029 4.419 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.512 5.373 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.215 4.981 4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.164 3.371 2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.845 2.930 3.190 1.00 0.00 H new ATOM 1134 N VAL A 76 9.216 2.044 6.397 1.00 0.00 N ATOM 1135 CA VAL A 76 7.793 2.011 6.692 1.00 0.00 C ATOM 1136 C VAL A 76 7.583 1.478 8.110 1.00 0.00 C ATOM 1137 O VAL A 76 8.513 0.962 8.728 1.00 0.00 O ATOM 1138 CB VAL A 76 7.058 1.192 5.629 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.369 -0.299 5.774 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.550 1.445 5.688 1.00 0.00 C ATOM 0 H VAL A 76 9.634 1.133 6.208 1.00 0.00 H new ATOM 0 HA VAL A 76 7.372 3.016 6.658 1.00 0.00 H new ATOM 0 HB VAL A 76 7.414 1.515 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.834 -0.859 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.441 -0.460 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.054 -0.642 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.051 0.851 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.172 1.162 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.351 2.502 5.513 1.00 0.00 H new ATOM 1150 N ASP A 77 6.354 1.620 8.585 1.00 0.00 N ATOM 1151 CA ASP A 77 6.010 1.158 9.919 1.00 0.00 C ATOM 1152 C ASP A 77 4.490 1.199 10.092 1.00 0.00 C ATOM 1153 O ASP A 77 3.808 1.983 9.434 1.00 0.00 O ATOM 1154 CB ASP A 77 6.631 2.057 10.991 1.00 0.00 C ATOM 1155 CG ASP A 77 8.094 1.752 11.321 1.00 0.00 C ATOM 1156 OD1 ASP A 77 8.359 0.591 11.703 1.00 0.00 O ATOM 1157 OD2 ASP A 77 8.913 2.686 11.185 1.00 0.00 O ATOM 0 H ASP A 77 5.585 2.048 8.070 1.00 0.00 H new ATOM 0 HA ASP A 77 6.392 0.143 10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.557 3.094 10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.042 1.969 11.904 1.00 0.00 H new ATOM 1162 N ASP A 78 4.004 0.344 10.980 1.00 0.00 N ATOM 1163 CA ASP A 78 2.578 0.273 11.247 1.00 0.00 C ATOM 1164 C ASP A 78 2.080 1.645 11.706 1.00 0.00 C ATOM 1165 O ASP A 78 2.227 2.004 12.874 1.00 0.00 O ATOM 1166 CB ASP A 78 2.275 -0.736 12.357 1.00 0.00 C ATOM 1167 CG ASP A 78 3.171 -0.625 13.593 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.398 -0.789 13.421 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.607 -0.379 14.682 1.00 0.00 O ATOM 0 H ASP A 78 4.573 -0.305 11.524 1.00 0.00 H new ATOM 0 HA ASP A 78 2.078 -0.039 10.330 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.237 -0.612 12.667 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.368 -1.742 11.948 1.00 0.00 H new ATOM 1174 N GLY A 79 1.501 2.375 10.764 1.00 0.00 N ATOM 1175 CA GLY A 79 0.981 3.699 11.057 1.00 0.00 C ATOM 1176 C GLY A 79 1.410 4.706 9.988 1.00 0.00 C ATOM 1177 O GLY A 79 0.963 5.852 9.994 1.00 0.00 O ATOM 0 H GLY A 79 1.381 2.074 9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.107 3.662 11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.338 4.026 12.034 1.00 0.00 H new ATOM 1181 N CYS A 80 2.274 4.242 9.097 1.00 0.00 N ATOM 1182 CA CYS A 80 2.768 5.087 8.024 1.00 0.00 C ATOM 1183 C CYS A 80 1.569 5.597 7.222 1.00 0.00 C ATOM 1184 O CYS A 80 0.432 5.528 7.687 1.00 0.00 O ATOM 1185 CB CYS A 80 3.774 4.348 7.139 1.00 0.00 C ATOM 1186 SG CYS A 80 2.892 3.230 5.989 1.00 0.00 S ATOM 0 H CYS A 80 2.644 3.292 9.097 1.00 0.00 H new ATOM 0 HA CYS A 80 3.308 5.935 8.446 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.371 5.065 6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.464 3.775 7.759 1.00 0.00 H new ATOM 0 HG CYS A 80 3.461 3.272 4.821 1.00 0.00 H new ATOM 1192 N ARG A 81 1.864 6.098 6.031 1.00 0.00 N ATOM 1193 CA ARG A 81 0.824 6.619 5.160 1.00 0.00 C ATOM 1194 C ARG A 81 1.182 6.365 3.694 1.00 0.00 C ATOM 1195 O ARG A 81 2.123 6.958 3.170 1.00 0.00 O ATOM 1196 CB ARG A 81 0.626 8.121 5.376 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.439 8.675 4.429 1.00 0.00 C ATOM 1198 CD ARG A 81 -1.161 9.870 5.055 1.00 0.00 C ATOM 1199 NE ARG A 81 -0.323 11.084 4.941 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.213 11.821 3.827 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -0.888 11.471 2.724 1.00 0.00 N ATOM 1202 NH2 ARG A 81 0.572 12.907 3.816 1.00 0.00 N ATOM 0 H ARG A 81 2.808 6.154 5.649 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.104 6.102 5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.332 8.308 6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.569 8.643 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.026 8.977 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.161 7.894 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.117 10.030 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.379 9.665 6.103 1.00 0.00 H new ATOM 0 HE ARG A 81 0.205 11.379 5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.485 10.644 2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.805 12.031 1.876 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.086 13.173 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.655 13.467 2.968 1.00 0.00 H new ATOM 1216 N ILE A 82 0.413 5.481 3.075 1.00 0.00 N ATOM 1217 CA ILE A 82 0.637 5.141 1.681 1.00 0.00 C ATOM 1218 C ILE A 82 -0.284 5.987 0.799 1.00 0.00 C ATOM 1219 O ILE A 82 -1.467 5.682 0.658 1.00 0.00 O ATOM 1220 CB ILE A 82 0.481 3.635 1.465 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.426 2.849 2.377 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.672 3.269 -0.009 1.00 0.00 C ATOM 1223 CD1 ILE A 82 2.821 2.742 1.759 1.00 0.00 C ATOM 0 H ILE A 82 -0.366 4.990 3.514 1.00 0.00 H new ATOM 0 HA ILE A 82 1.661 5.377 1.392 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.537 3.355 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.491 3.339 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.024 1.851 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.556 2.193 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.074 3.787 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.670 3.566 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.473 2.179 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.755 2.230 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.230 3.741 1.610 1.00 0.00 H new ATOM 1235 N HIS A 83 0.294 7.035 0.229 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.460 7.928 -0.634 1.00 0.00 C ATOM 1237 C HIS A 83 -0.442 7.392 -2.067 1.00 0.00 C ATOM 1238 O HIS A 83 0.594 7.419 -2.731 1.00 0.00 O ATOM 1239 CB HIS A 83 0.068 9.360 -0.530 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.835 10.395 -1.157 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -2.145 10.589 -0.755 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.603 11.290 -2.160 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.668 11.559 -1.490 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.711 11.992 -2.360 1.00 0.00 N ATOM 0 H HIS A 83 1.276 7.285 0.348 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.500 7.962 -0.308 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.212 9.608 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.047 9.411 -1.006 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.325 11.407 -2.700 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.676 11.940 -1.414 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.828 12.733 -3.051 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.599 6.917 -2.503 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.729 6.376 -3.845 1.00 0.00 C ATOM 1254 C VAL A 84 -2.123 7.499 -4.807 1.00 0.00 C ATOM 1255 O VAL A 84 -3.261 7.967 -4.787 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.722 5.212 -3.846 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.753 4.519 -5.210 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.399 4.215 -2.731 1.00 0.00 C ATOM 0 H VAL A 84 -2.456 6.896 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.776 5.973 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.715 5.618 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.467 3.696 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.053 5.235 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.761 4.132 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.120 3.398 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.395 3.818 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.452 4.719 -1.766 1.00 0.00 H new ATOM 1268 N ILE A 85 -1.161 7.898 -5.625 1.00 0.00 N ATOM 1269 CA ILE A 85 -1.394 8.957 -6.593 1.00 0.00 C ATOM 1270 C ILE A 85 -2.135 8.383 -7.802 1.00 0.00 C ATOM 1271 O ILE A 85 -1.532 7.723 -8.648 1.00 0.00 O ATOM 1272 CB ILE A 85 -0.079 9.654 -6.951 1.00 0.00 C ATOM 1273 CG1 ILE A 85 0.639 10.148 -5.694 1.00 0.00 C ATOM 1274 CG2 ILE A 85 -0.313 10.781 -7.958 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.104 10.473 -5.991 1.00 0.00 C ATOM 0 H ILE A 85 -0.219 7.508 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.032 9.730 -6.166 1.00 0.00 H new ATOM 0 HB ILE A 85 0.575 8.925 -7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.137 11.036 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.582 9.387 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.637 11.260 -8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.750 10.371 -8.868 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.993 11.517 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.591 10.822 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.609 9.577 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.157 11.252 -6.752 1.00 0.00 H new ATOM 1287 N ASP A 86 -3.430 8.656 -7.846 1.00 0.00 N ATOM 1288 CA ASP A 86 -4.260 8.175 -8.938 1.00 0.00 C ATOM 1289 C ASP A 86 -3.648 8.615 -10.270 1.00 0.00 C ATOM 1290 O ASP A 86 -3.834 9.753 -10.697 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.673 8.755 -8.853 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.767 10.137 -8.203 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -5.777 10.177 -6.953 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -5.826 11.122 -8.970 1.00 0.00 O ATOM 0 H ASP A 86 -3.926 9.204 -7.143 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.311 7.088 -8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.086 8.815 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.301 8.063 -8.292 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.929 7.689 -10.888 1.00 0.00 N ATOM 1300 CA HIS A 87 -2.288 7.966 -12.162 1.00 0.00 C ATOM 1301 C HIS A 87 -3.225 7.569 -13.305 1.00 0.00 C ATOM 1302 O HIS A 87 -2.792 7.433 -14.448 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.925 7.278 -12.246 1.00 0.00 C ATOM 1304 CG HIS A 87 0.247 8.212 -12.063 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.263 9.502 -12.565 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.441 8.031 -11.428 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.420 10.062 -12.242 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.148 9.149 -11.537 1.00 0.00 N ATOM 0 H HIS A 87 -2.776 6.746 -10.530 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.095 9.035 -12.251 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.876 6.497 -11.487 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.837 6.786 -13.215 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.757 7.131 -10.922 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.732 11.065 -12.493 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.082 9.301 -11.156 1.00 0.00 H new