USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 762 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 88 CYS SG : rot 180:sc= -0.293 USER MOD Set 1.2: A 95 SER OG : rot -140:sc= 1.15 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= -0.391 USER MOD Set 2.2: A 90 ASN :FLIP amide:sc= -4.23! C(o=-5.9!,f=-4.6!) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.315 K(o=0.8,f=-7!) USER MOD Set 3.2: A 57 SER OG : rot 98:sc= 1.12 USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= -2.7! USER MOD Set 4.2: A 36 ASN : amide:sc= -4.25! C(o=-7!,f=-12!) USER MOD Set 5.1: A 17 THR OG1 : rot 160:sc= 0 USER MOD Set 5.2: A 101 MET CE :methyl -117:sc= -0.0831 (180deg=-0.681) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.66 K(o=-1.7,f=-4.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -120:sc= -1.45 (180deg=-4.85!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -159:sc= -0.0933 (180deg=-0.753) USER MOD Single : A 35 SER OG : rot -61:sc= 1.12 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 HIS : no HD1:sc=-0.00236 X(o=-0.0024,f=-0.043) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= -1.65 USER MOD Single : A 48 TYR OH : rot 22:sc= 1.12 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -76:sc= 0.374 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -154:sc= -0.162 (180deg=-0.81) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.72) USER MOD Single : A 72 SER OG : rot 33:sc= 1.16 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.153 F(o=-0.76,f=-0.15) USER MOD Single : A 77 GLN : amide:sc= -0.793 K(o=-0.79,f=-6.7!) USER MOD Single : A 80 THR OG1 : rot 62:sc= -0.241 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -175:sc= -5.72! USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0.666 (180deg=0.646) USER MOD Single : A 86 MET CE :methyl 144:sc= -0.985 (180deg=-4.24!) USER MOD Single : A 87 GLN : amide:sc= -3.84! C(o=-3.8!,f=-4!) USER MOD Single : A 98 SER OG : rot 151:sc= 0.426 USER MOD Single : A 99 ASN :FLIP amide:sc= 1.15 F(o=-1.9,f=1.1) USER MOD Single : A 103 CYS SG : rot 170:sc= 0 USER MOD Single : A 105 THR OG1 : rot -167:sc= 2.13 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 12.030 11.535 -5.230 1.00 0.00 N ATOM 67 CA PRO A 8 12.140 10.626 -4.085 1.00 0.00 C ATOM 68 C PRO A 8 12.228 9.165 -4.511 1.00 0.00 C ATOM 69 O PRO A 8 11.232 8.563 -4.910 1.00 0.00 O ATOM 70 CB PRO A 8 10.847 10.879 -3.306 1.00 0.00 C ATOM 71 CG PRO A 8 9.883 11.379 -4.325 1.00 0.00 C ATOM 72 CD PRO A 8 10.699 12.156 -5.321 1.00 0.00 C ATOM 0 HA PRO A 8 13.045 10.808 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.485 9.966 -2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.999 11.611 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.362 10.552 -4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.123 12.011 -3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.287 12.077 -6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.733 13.217 -5.073 1.00 0.00 H new ATOM 80 N VAL A 9 13.428 8.599 -4.423 1.00 0.00 N ATOM 81 CA VAL A 9 13.646 7.207 -4.798 1.00 0.00 C ATOM 82 C VAL A 9 13.544 6.288 -3.586 1.00 0.00 C ATOM 83 O VAL A 9 12.926 5.226 -3.650 1.00 0.00 O ATOM 84 CB VAL A 9 15.023 7.013 -5.460 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.103 7.793 -6.764 1.00 0.00 C ATOM 86 CG2 VAL A 9 16.134 7.431 -4.510 1.00 0.00 C ATOM 0 H VAL A 9 14.264 9.083 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 9 12.866 6.947 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 9 15.151 5.955 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.083 7.644 -7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.330 7.441 -7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.954 8.854 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.100 7.287 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.012 8.482 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.087 6.824 -3.606 1.00 0.00 H new ATOM 96 N ALA A 10 14.153 6.706 -2.481 1.00 0.00 N ATOM 97 CA ALA A 10 14.129 5.922 -1.252 1.00 0.00 C ATOM 98 C ALA A 10 12.817 5.156 -1.116 1.00 0.00 C ATOM 99 O ALA A 10 12.796 4.019 -0.646 1.00 0.00 O ATOM 100 CB ALA A 10 14.343 6.824 -0.046 1.00 0.00 C ATOM 0 H ALA A 10 14.669 7.583 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 10 14.941 5.196 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.323 6.225 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.309 7.322 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.551 7.572 -0.006 1.00 0.00 H new ATOM 106 N GLY A 11 11.722 5.788 -1.529 1.00 0.00 N ATOM 107 CA GLY A 11 10.421 5.151 -1.443 1.00 0.00 C ATOM 108 C GLY A 11 10.067 4.743 -0.027 1.00 0.00 C ATOM 109 O GLY A 11 10.939 4.498 0.807 1.00 0.00 O ATOM 0 H GLY A 11 11.713 6.729 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.660 5.833 -1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.408 4.271 -2.085 1.00 0.00 H new ATOM 113 N PRO A 12 8.760 4.668 0.262 1.00 0.00 N ATOM 114 CA PRO A 12 8.263 4.288 1.588 1.00 0.00 C ATOM 115 C PRO A 12 8.517 2.818 1.904 1.00 0.00 C ATOM 116 O PRO A 12 8.795 2.020 1.008 1.00 0.00 O ATOM 117 CB PRO A 12 6.760 4.563 1.495 1.00 0.00 C ATOM 118 CG PRO A 12 6.444 4.456 0.043 1.00 0.00 C ATOM 119 CD PRO A 12 7.666 4.946 -0.683 1.00 0.00 C ATOM 0 HA PRO A 12 8.763 4.840 2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.189 3.841 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.514 5.552 1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.213 3.427 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.571 5.057 -0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.809 4.422 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.596 6.009 -0.915 1.00 0.00 H new ATOM 127 N TYR A 13 8.421 2.467 3.181 1.00 0.00 N ATOM 128 CA TYR A 13 8.643 1.093 3.615 1.00 0.00 C ATOM 129 C TYR A 13 7.572 0.656 4.610 1.00 0.00 C ATOM 130 O TYR A 13 7.527 1.137 5.742 1.00 0.00 O ATOM 131 CB TYR A 13 10.029 0.953 4.248 1.00 0.00 C ATOM 132 CG TYR A 13 10.150 -0.226 5.186 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.804 -1.506 4.772 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.611 -0.060 6.486 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.912 -2.587 5.626 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.724 -1.135 7.346 1.00 0.00 C ATOM 137 CZ TYR A 13 10.373 -2.396 6.912 1.00 0.00 C ATOM 138 OH TYR A 13 10.483 -3.470 7.766 1.00 0.00 O ATOM 0 H TYR A 13 8.191 3.115 3.934 1.00 0.00 H new ATOM 0 HA TYR A 13 8.584 0.448 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.772 0.855 3.457 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.264 1.867 4.794 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.444 -1.659 3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.886 0.926 6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.637 -3.575 5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.085 -0.989 8.353 1.00 0.00 H new ATOM 0 HH TYR A 13 10.824 -3.165 8.633 1.00 0.00 H new ATOM 148 N ILE A 14 6.712 -0.260 4.177 1.00 0.00 N ATOM 149 CA ILE A 14 5.641 -0.764 5.029 1.00 0.00 C ATOM 150 C ILE A 14 6.203 -1.536 6.218 1.00 0.00 C ATOM 151 O ILE A 14 6.897 -2.539 6.050 1.00 0.00 O ATOM 152 CB ILE A 14 4.681 -1.677 4.245 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.176 -0.965 2.988 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.514 -2.100 5.125 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.762 -1.911 1.883 1.00 0.00 C ATOM 0 H ILE A 14 6.736 -0.668 3.242 1.00 0.00 H new ATOM 0 HA ILE A 14 5.089 0.104 5.390 1.00 0.00 H new ATOM 0 HB ILE A 14 5.224 -2.572 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.327 -0.335 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.959 -0.304 2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.844 -2.745 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.890 -2.642 5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.970 -1.216 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.415 -1.337 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.615 -2.524 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.957 -2.555 2.238 1.00 0.00 H new ATOM 167 N THR A 15 5.896 -1.063 7.422 1.00 0.00 N ATOM 168 CA THR A 15 6.369 -1.709 8.640 1.00 0.00 C ATOM 169 C THR A 15 5.202 -2.164 9.509 1.00 0.00 C ATOM 170 O THR A 15 5.380 -2.486 10.684 1.00 0.00 O ATOM 171 CB THR A 15 7.270 -0.767 9.461 1.00 0.00 C ATOM 172 OG1 THR A 15 6.466 0.090 10.279 1.00 0.00 O ATOM 173 CG2 THR A 15 8.150 0.073 8.548 1.00 0.00 C ATOM 0 H THR A 15 5.322 -0.235 7.579 1.00 0.00 H new ATOM 0 HA THR A 15 6.950 -2.579 8.333 1.00 0.00 H new ATOM 0 HB THR A 15 7.912 -1.377 10.096 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.046 0.684 10.799 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.777 0.730 9.151 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.782 -0.582 7.948 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.522 0.674 7.890 1.00 0.00 H new ATOM 181 N PHE A 16 4.009 -2.189 8.925 1.00 0.00 N ATOM 182 CA PHE A 16 2.813 -2.605 9.647 1.00 0.00 C ATOM 183 C PHE A 16 1.736 -3.091 8.681 1.00 0.00 C ATOM 184 O PHE A 16 1.370 -2.390 7.737 1.00 0.00 O ATOM 185 CB PHE A 16 2.272 -1.448 10.490 1.00 0.00 C ATOM 186 CG PHE A 16 1.377 -1.892 11.612 1.00 0.00 C ATOM 187 CD1 PHE A 16 1.911 -2.287 12.828 1.00 0.00 C ATOM 188 CD2 PHE A 16 0.001 -1.913 11.450 1.00 0.00 C ATOM 189 CE1 PHE A 16 1.090 -2.695 13.862 1.00 0.00 C ATOM 190 CE2 PHE A 16 -0.825 -2.320 12.481 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.280 -2.713 13.688 1.00 0.00 C ATOM 0 H PHE A 16 3.845 -1.926 7.953 1.00 0.00 H new ATOM 0 HA PHE A 16 3.085 -3.430 10.306 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.110 -0.888 10.904 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.720 -0.765 9.844 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.982 -2.276 12.969 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.431 -1.608 10.508 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.519 -2.999 14.805 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.896 -2.331 12.343 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.924 -3.034 14.494 1.00 0.00 H new ATOM 201 N THR A 17 1.232 -4.297 8.924 1.00 0.00 N ATOM 202 CA THR A 17 0.199 -4.879 8.076 1.00 0.00 C ATOM 203 C THR A 17 -0.780 -5.712 8.895 1.00 0.00 C ATOM 204 O THR A 17 -0.427 -6.772 9.411 1.00 0.00 O ATOM 205 CB THR A 17 0.810 -5.763 6.973 1.00 0.00 C ATOM 206 OG1 THR A 17 1.978 -6.428 7.468 1.00 0.00 O ATOM 207 CG2 THR A 17 1.173 -4.932 5.752 1.00 0.00 C ATOM 0 H THR A 17 1.523 -4.890 9.701 1.00 0.00 H new ATOM 0 HA THR A 17 -0.334 -4.049 7.612 1.00 0.00 H new ATOM 0 HB THR A 17 0.067 -6.505 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.174 -7.207 6.906 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.603 -5.578 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.277 -4.451 5.360 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.900 -4.170 6.033 1.00 0.00 H new ATOM 215 N ASP A 18 -2.011 -5.226 9.010 1.00 0.00 N ATOM 216 CA ASP A 18 -3.042 -5.927 9.766 1.00 0.00 C ATOM 217 C ASP A 18 -4.398 -5.805 9.077 1.00 0.00 C ATOM 218 O ASP A 18 -4.777 -4.729 8.617 1.00 0.00 O ATOM 219 CB ASP A 18 -3.127 -5.373 11.189 1.00 0.00 C ATOM 220 CG ASP A 18 -4.041 -4.168 11.287 1.00 0.00 C ATOM 221 OD1 ASP A 18 -3.823 -3.194 10.536 1.00 0.00 O ATOM 222 OD2 ASP A 18 -4.975 -4.198 12.115 1.00 0.00 O ATOM 0 H ASP A 18 -2.319 -4.349 8.589 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.771 -6.982 9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.487 -6.154 11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.129 -5.097 11.529 1.00 0.00 H new ATOM 227 N ALA A 19 -5.123 -6.917 9.009 1.00 0.00 N ATOM 228 CA ALA A 19 -6.437 -6.934 8.378 1.00 0.00 C ATOM 229 C ALA A 19 -7.501 -6.359 9.308 1.00 0.00 C ATOM 230 O ALA A 19 -7.758 -6.900 10.383 1.00 0.00 O ATOM 231 CB ALA A 19 -6.805 -8.351 7.964 1.00 0.00 C ATOM 0 H ALA A 19 -4.823 -7.817 9.383 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.393 -6.307 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.789 -8.349 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.066 -8.727 7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.825 -8.994 8.844 1.00 0.00 H new ATOM 237 N VAL A 20 -8.116 -5.259 8.886 1.00 0.00 N ATOM 238 CA VAL A 20 -9.152 -4.611 9.681 1.00 0.00 C ATOM 239 C VAL A 20 -10.459 -5.393 9.623 1.00 0.00 C ATOM 240 O VAL A 20 -11.282 -5.316 10.535 1.00 0.00 O ATOM 241 CB VAL A 20 -9.408 -3.170 9.202 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.340 -2.445 10.161 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.095 -2.417 9.052 1.00 0.00 C ATOM 0 H VAL A 20 -7.915 -4.798 7.999 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.792 -4.586 10.710 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.891 -3.212 8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.509 -1.428 9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.292 -2.974 10.213 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.888 -2.412 11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.295 -1.401 8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.582 -2.384 10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.465 -2.926 8.322 1.00 0.00 H new ATOM 253 N ASN A 21 -10.644 -6.148 8.545 1.00 0.00 N ATOM 254 CA ASN A 21 -11.851 -6.946 8.368 1.00 0.00 C ATOM 255 C ASN A 21 -11.656 -7.993 7.276 1.00 0.00 C ATOM 256 O ASN A 21 -10.566 -8.129 6.720 1.00 0.00 O ATOM 257 CB ASN A 21 -13.037 -6.044 8.018 1.00 0.00 C ATOM 258 CG ASN A 21 -13.744 -5.515 9.251 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.677 -6.115 10.324 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.427 -4.386 9.103 1.00 0.00 N ATOM 0 H ASN A 21 -9.973 -6.224 7.781 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.057 -7.460 9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.687 -5.206 7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.746 -6.602 7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.923 -3.982 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.455 -3.922 8.195 1.00 0.00 H new ATOM 267 N GLU A 22 -12.720 -8.731 6.973 1.00 0.00 N ATOM 268 CA GLU A 22 -12.665 -9.766 5.948 1.00 0.00 C ATOM 269 C GLU A 22 -12.556 -9.149 4.557 1.00 0.00 C ATOM 270 O GLU A 22 -12.096 -9.792 3.613 1.00 0.00 O ATOM 271 CB GLU A 22 -13.905 -10.659 6.026 1.00 0.00 C ATOM 272 CG GLU A 22 -15.121 -10.075 5.327 1.00 0.00 C ATOM 273 CD GLU A 22 -16.423 -10.470 5.995 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.453 -11.525 6.662 1.00 0.00 O ATOM 275 OE2 GLU A 22 -17.414 -9.723 5.851 1.00 0.00 O ATOM 0 H GLU A 22 -13.630 -8.631 7.423 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.777 -10.373 6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.673 -11.628 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.149 -10.837 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.040 -8.988 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.134 -10.408 4.289 1.00 0.00 H new ATOM 282 N THR A 23 -12.983 -7.896 4.437 1.00 0.00 N ATOM 283 CA THR A 23 -12.936 -7.191 3.162 1.00 0.00 C ATOM 284 C THR A 23 -12.196 -5.864 3.294 1.00 0.00 C ATOM 285 O THR A 23 -12.268 -5.010 2.410 1.00 0.00 O ATOM 286 CB THR A 23 -14.351 -6.924 2.615 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.196 -6.433 3.661 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.950 -8.191 2.024 1.00 0.00 C ATOM 0 H THR A 23 -13.366 -7.348 5.208 1.00 0.00 H new ATOM 0 HA THR A 23 -12.400 -7.835 2.465 1.00 0.00 H new ATOM 0 HB THR A 23 -14.277 -6.174 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.093 -6.264 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.949 -7.978 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.320 -8.545 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.011 -8.959 2.795 1.00 0.00 H new ATOM 296 N THR A 24 -11.483 -5.697 4.404 1.00 0.00 N ATOM 297 CA THR A 24 -10.730 -4.475 4.652 1.00 0.00 C ATOM 298 C THR A 24 -9.356 -4.784 5.234 1.00 0.00 C ATOM 299 O THR A 24 -9.184 -5.766 5.957 1.00 0.00 O ATOM 300 CB THR A 24 -11.483 -3.537 5.614 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.886 -3.567 5.330 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.967 -2.110 5.494 1.00 0.00 C ATOM 0 H THR A 24 -11.412 -6.394 5.145 1.00 0.00 H new ATOM 0 HA THR A 24 -10.610 -3.977 3.690 1.00 0.00 H new ATOM 0 HB THR A 24 -11.311 -3.884 6.633 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.358 -2.969 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.514 -1.466 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.905 -2.085 5.739 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.112 -1.755 4.474 1.00 0.00 H new ATOM 310 N ILE A 25 -8.380 -3.941 4.915 1.00 0.00 N ATOM 311 CA ILE A 25 -7.020 -4.124 5.408 1.00 0.00 C ATOM 312 C ILE A 25 -6.373 -2.785 5.745 1.00 0.00 C ATOM 313 O ILE A 25 -6.505 -1.815 4.999 1.00 0.00 O ATOM 314 CB ILE A 25 -6.143 -4.862 4.380 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.502 -6.349 4.345 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.670 -4.675 4.710 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.636 -7.157 3.404 1.00 0.00 C ATOM 0 H ILE A 25 -8.505 -3.124 4.317 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.091 -4.728 6.312 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.331 -4.439 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.413 -6.760 5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.545 -6.456 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.063 -5.202 3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.424 -3.613 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.466 -5.075 5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.947 -8.201 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.743 -6.772 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.593 -7.081 3.713 1.00 0.00 H new ATOM 329 N MET A 26 -5.670 -2.741 6.872 1.00 0.00 N ATOM 330 CA MET A 26 -4.999 -1.521 7.306 1.00 0.00 C ATOM 331 C MET A 26 -3.485 -1.711 7.326 1.00 0.00 C ATOM 332 O MET A 26 -2.972 -2.617 7.985 1.00 0.00 O ATOM 333 CB MET A 26 -5.491 -1.109 8.695 1.00 0.00 C ATOM 334 CG MET A 26 -4.518 -0.212 9.443 1.00 0.00 C ATOM 335 SD MET A 26 -5.328 0.794 10.702 1.00 0.00 S ATOM 336 CE MET A 26 -4.941 2.443 10.119 1.00 0.00 C ATOM 0 H MET A 26 -5.550 -3.535 7.501 1.00 0.00 H new ATOM 0 HA MET A 26 -5.239 -0.731 6.594 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.445 -0.592 8.595 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.675 -2.006 9.287 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.751 -0.827 9.913 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.012 0.441 8.732 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.372 2.974 10.882 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.350 2.377 9.206 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.866 2.983 9.914 1.00 0.00 H new ATOM 346 N LEU A 27 -2.776 -0.853 6.601 1.00 0.00 N ATOM 347 CA LEU A 27 -1.321 -0.927 6.536 1.00 0.00 C ATOM 348 C LEU A 27 -0.697 0.454 6.707 1.00 0.00 C ATOM 349 O LEU A 27 -1.210 1.447 6.192 1.00 0.00 O ATOM 350 CB LEU A 27 -0.881 -1.537 5.203 1.00 0.00 C ATOM 351 CG LEU A 27 -0.808 -0.575 4.017 1.00 0.00 C ATOM 352 CD1 LEU A 27 0.121 -1.120 2.944 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.197 -0.326 3.446 1.00 0.00 C ATOM 0 H LEU A 27 -3.185 -0.098 6.050 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.977 -1.564 7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.101 -1.989 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.570 -2.343 4.950 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.406 0.375 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.160 -0.422 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.121 -1.246 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.251 -2.083 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.126 0.361 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.627 -1.270 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.834 0.109 4.216 1.00 0.00 H new ATOM 365 N LYS A 28 0.415 0.510 7.432 1.00 0.00 N ATOM 366 CA LYS A 28 1.112 1.768 7.669 1.00 0.00 C ATOM 367 C LYS A 28 2.516 1.733 7.073 1.00 0.00 C ATOM 368 O LYS A 28 3.223 0.731 7.184 1.00 0.00 O ATOM 369 CB LYS A 28 1.192 2.056 9.170 1.00 0.00 C ATOM 370 CG LYS A 28 -0.166 2.204 9.834 1.00 0.00 C ATOM 371 CD LYS A 28 -0.686 0.870 10.343 1.00 0.00 C ATOM 372 CE LYS A 28 -1.877 1.053 11.271 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.451 1.328 12.671 1.00 0.00 N ATOM 0 H LYS A 28 0.853 -0.302 7.866 1.00 0.00 H new ATOM 0 HA LYS A 28 0.548 2.564 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.740 1.249 9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.765 2.970 9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.092 2.907 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.876 2.625 9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.975 0.245 9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.110 0.345 10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.495 1.876 10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.496 0.156 11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.291 1.447 13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.882 0.532 13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.882 2.198 12.696 1.00 0.00 H new ATOM 387 N TRP A 29 2.913 2.832 6.441 1.00 0.00 N ATOM 388 CA TRP A 29 4.233 2.926 5.829 1.00 0.00 C ATOM 389 C TRP A 29 5.075 3.998 6.512 1.00 0.00 C ATOM 390 O TRP A 29 4.540 4.934 7.106 1.00 0.00 O ATOM 391 CB TRP A 29 4.104 3.236 4.336 1.00 0.00 C ATOM 392 CG TRP A 29 3.294 4.464 4.052 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.739 5.755 4.039 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.897 4.516 3.742 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.703 6.606 3.739 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.563 5.871 3.552 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.897 3.550 3.604 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.271 6.281 3.233 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.385 3.959 3.288 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.689 5.314 3.104 1.00 0.00 C ATOM 0 H TRP A 29 2.340 3.670 6.339 1.00 0.00 H new ATOM 0 HA TRP A 29 4.733 1.965 5.952 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.100 3.360 3.911 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.647 2.384 3.834 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.756 6.062 4.236 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.772 7.621 3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.122 2.503 3.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.035 7.325 3.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.166 3.221 3.181 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.700 5.601 2.856 1.00 0.00 H new ATOM 411 N MET A 30 6.393 3.855 6.423 1.00 0.00 N ATOM 412 CA MET A 30 7.308 4.814 7.033 1.00 0.00 C ATOM 413 C MET A 30 8.157 5.505 5.971 1.00 0.00 C ATOM 414 O MET A 30 8.326 4.991 4.865 1.00 0.00 O ATOM 415 CB MET A 30 8.212 4.113 8.049 1.00 0.00 C ATOM 416 CG MET A 30 9.418 3.433 7.422 1.00 0.00 C ATOM 417 SD MET A 30 10.547 2.751 8.651 1.00 0.00 S ATOM 418 CE MET A 30 11.139 4.249 9.435 1.00 0.00 C ATOM 0 H MET A 30 6.851 3.085 5.935 1.00 0.00 H new ATOM 0 HA MET A 30 6.714 5.570 7.547 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.557 4.843 8.781 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.627 3.370 8.591 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.078 2.634 6.763 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.953 4.151 6.801 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.086 4.048 9.936 1.00 0.00 H new ATOM 0 HE2 MET A 30 11.285 5.022 8.680 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.407 4.591 10.167 1.00 0.00 H new ATOM 428 N TYR A 31 8.689 6.673 6.314 1.00 0.00 N ATOM 429 CA TYR A 31 9.519 7.436 5.389 1.00 0.00 C ATOM 430 C TYR A 31 10.933 7.605 5.937 1.00 0.00 C ATOM 431 O TYR A 31 11.125 7.798 7.138 1.00 0.00 O ATOM 432 CB TYR A 31 8.896 8.807 5.124 1.00 0.00 C ATOM 433 CG TYR A 31 9.564 9.570 4.002 1.00 0.00 C ATOM 434 CD1 TYR A 31 10.684 10.357 4.241 1.00 0.00 C ATOM 435 CD2 TYR A 31 9.075 9.502 2.703 1.00 0.00 C ATOM 436 CE1 TYR A 31 11.297 11.056 3.219 1.00 0.00 C ATOM 437 CE2 TYR A 31 9.683 10.197 1.675 1.00 0.00 C ATOM 438 CZ TYR A 31 10.793 10.972 1.938 1.00 0.00 C ATOM 439 OH TYR A 31 11.402 11.666 0.917 1.00 0.00 O ATOM 0 H TYR A 31 8.560 7.112 7.226 1.00 0.00 H new ATOM 0 HA TYR A 31 9.576 6.883 4.452 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.840 8.677 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.946 9.402 6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.082 10.423 5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.206 8.896 2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.166 11.665 3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.291 10.134 0.671 1.00 0.00 H new ATOM 0 HH TYR A 31 10.925 11.499 0.078 1.00 0.00 H new ATOM 449 N ILE A 32 11.918 7.530 5.048 1.00 0.00 N ATOM 450 CA ILE A 32 13.313 7.676 5.442 1.00 0.00 C ATOM 451 C ILE A 32 13.849 9.053 5.065 1.00 0.00 C ATOM 452 O ILE A 32 14.279 9.292 3.937 1.00 0.00 O ATOM 453 CB ILE A 32 14.198 6.597 4.789 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.714 5.201 5.186 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.653 6.793 5.189 1.00 0.00 C ATOM 456 CD1 ILE A 32 13.701 4.968 6.680 1.00 0.00 C ATOM 0 H ILE A 32 11.775 7.369 4.051 1.00 0.00 H new ATOM 0 HA ILE A 32 13.349 7.558 6.525 1.00 0.00 H new ATOM 0 HB ILE A 32 14.123 6.692 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.708 5.049 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.355 4.456 4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.266 6.023 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.991 7.776 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.745 6.720 6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.347 3.958 6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.710 5.088 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.037 5.690 7.155 1.00 0.00 H new ATOM 468 N PRO A 33 13.826 9.982 6.033 1.00 0.00 N ATOM 469 CA PRO A 33 14.308 11.351 5.828 1.00 0.00 C ATOM 470 C PRO A 33 15.823 11.414 5.669 1.00 0.00 C ATOM 471 O PRO A 33 16.361 12.383 5.134 1.00 0.00 O ATOM 472 CB PRO A 33 13.874 12.075 7.105 1.00 0.00 C ATOM 473 CG PRO A 33 13.775 11.002 8.134 1.00 0.00 C ATOM 474 CD PRO A 33 13.328 9.767 7.402 1.00 0.00 C ATOM 0 HA PRO A 33 13.908 11.792 4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.599 12.836 7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.919 12.581 6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.736 10.840 8.623 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.063 11.273 8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.747 8.864 7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.244 9.658 7.423 1.00 0.00 H new ATOM 482 N ALA A 34 16.507 10.374 6.136 1.00 0.00 N ATOM 483 CA ALA A 34 17.960 10.311 6.042 1.00 0.00 C ATOM 484 C ALA A 34 18.420 10.378 4.590 1.00 0.00 C ATOM 485 O ALA A 34 18.954 11.394 4.145 1.00 0.00 O ATOM 486 CB ALA A 34 18.477 9.042 6.703 1.00 0.00 C ATOM 0 H ALA A 34 16.078 9.564 6.583 1.00 0.00 H new ATOM 0 HA ALA A 34 18.371 11.174 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.564 9.008 6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.188 9.035 7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.050 8.172 6.204 1.00 0.00 H new ATOM 492 N SER A 35 18.210 9.290 3.857 1.00 0.00 N ATOM 493 CA SER A 35 18.608 9.224 2.455 1.00 0.00 C ATOM 494 C SER A 35 17.551 9.862 1.560 1.00 0.00 C ATOM 495 O SER A 35 17.240 9.349 0.486 1.00 0.00 O ATOM 496 CB SER A 35 18.838 7.771 2.036 1.00 0.00 C ATOM 497 OG SER A 35 19.148 7.681 0.656 1.00 0.00 O ATOM 0 H SER A 35 17.767 8.442 4.210 1.00 0.00 H new ATOM 0 HA SER A 35 19.539 9.779 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.651 7.344 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.946 7.182 2.251 1.00 0.00 H new ATOM 0 HG SER A 35 18.401 8.034 0.129 1.00 0.00 H new ATOM 503 N ASN A 36 17.002 10.985 2.011 1.00 0.00 N ATOM 504 CA ASN A 36 15.978 11.694 1.252 1.00 0.00 C ATOM 505 C ASN A 36 16.531 12.995 0.676 1.00 0.00 C ATOM 506 O ASN A 36 17.484 13.564 1.206 1.00 0.00 O ATOM 507 CB ASN A 36 14.768 11.991 2.140 1.00 0.00 C ATOM 508 CG ASN A 36 13.718 12.822 1.429 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.599 12.776 0.204 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.950 13.587 2.196 1.00 0.00 N ATOM 0 H ASN A 36 17.249 11.424 2.898 1.00 0.00 H new ATOM 0 HA ASN A 36 15.666 11.055 0.426 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.323 11.052 2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.099 12.517 3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.226 14.168 1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.084 13.593 3.207 1.00 0.00 H new ATOM 517 N ASN A 37 15.925 13.459 -0.412 1.00 0.00 N ATOM 518 CA ASN A 37 16.356 14.692 -1.060 1.00 0.00 C ATOM 519 C ASN A 37 15.550 15.884 -0.552 1.00 0.00 C ATOM 520 O ASN A 37 15.488 16.926 -1.203 1.00 0.00 O ATOM 521 CB ASN A 37 16.211 14.573 -2.578 1.00 0.00 C ATOM 522 CG ASN A 37 17.459 14.018 -3.236 1.00 0.00 C ATOM 523 OD1 ASN A 37 18.544 14.587 -3.115 1.00 0.00 O ATOM 524 ND2 ASN A 37 17.310 12.900 -3.938 1.00 0.00 N ATOM 0 H ASN A 37 15.134 13.000 -0.863 1.00 0.00 H new ATOM 0 HA ASN A 37 17.405 14.855 -0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.364 13.928 -2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.988 15.554 -2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.114 12.479 -4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.392 12.462 -4.011 1.00 0.00 H new ATOM 531 N ASN A 38 14.934 15.722 0.614 1.00 0.00 N ATOM 532 CA ASN A 38 14.132 16.784 1.209 1.00 0.00 C ATOM 533 C ASN A 38 13.140 17.348 0.197 1.00 0.00 C ATOM 534 O ASN A 38 12.981 18.564 0.076 1.00 0.00 O ATOM 535 CB ASN A 38 15.035 17.902 1.733 1.00 0.00 C ATOM 536 CG ASN A 38 15.450 17.683 3.175 1.00 0.00 C ATOM 537 OD1 ASN A 38 15.009 18.398 4.075 1.00 0.00 O ATOM 538 ND2 ASN A 38 16.303 16.691 3.401 1.00 0.00 N ATOM 0 H ASN A 38 14.975 14.865 1.166 1.00 0.00 H new ATOM 0 HA ASN A 38 13.572 16.359 2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.925 17.969 1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.514 18.856 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.619 16.496 4.351 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.643 16.124 2.624 1.00 0.00 H new ATOM 545 N THR A 39 12.472 16.457 -0.530 1.00 0.00 N ATOM 546 CA THR A 39 11.496 16.865 -1.532 1.00 0.00 C ATOM 547 C THR A 39 10.074 16.575 -1.065 1.00 0.00 C ATOM 548 O THR A 39 9.783 15.517 -0.507 1.00 0.00 O ATOM 549 CB THR A 39 11.739 16.153 -2.876 1.00 0.00 C ATOM 550 OG1 THR A 39 11.060 16.847 -3.928 1.00 0.00 O ATOM 551 CG2 THR A 39 11.257 14.711 -2.819 1.00 0.00 C ATOM 0 H THR A 39 12.590 15.448 -0.443 1.00 0.00 H new ATOM 0 HA THR A 39 11.617 17.939 -1.672 1.00 0.00 H new ATOM 0 HB THR A 39 12.811 16.154 -3.074 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.221 16.389 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.439 14.228 -3.779 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.797 14.178 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.189 14.693 -2.600 1.00 0.00 H new ATOM 559 N PRO A 40 9.166 17.534 -1.299 1.00 0.00 N ATOM 560 CA PRO A 40 7.759 17.403 -0.911 1.00 0.00 C ATOM 561 C PRO A 40 7.021 16.364 -1.749 1.00 0.00 C ATOM 562 O PRO A 40 7.241 16.257 -2.956 1.00 0.00 O ATOM 563 CB PRO A 40 7.189 18.800 -1.167 1.00 0.00 C ATOM 564 CG PRO A 40 8.073 19.384 -2.214 1.00 0.00 C ATOM 565 CD PRO A 40 9.444 18.820 -1.959 1.00 0.00 C ATOM 0 HA PRO A 40 7.650 17.066 0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.154 18.749 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.198 19.404 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.722 19.121 -3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.081 20.472 -2.155 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.001 18.684 -2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.037 19.478 -1.324 1.00 0.00 H new ATOM 573 N ILE A 41 6.146 15.602 -1.102 1.00 0.00 N ATOM 574 CA ILE A 41 5.375 14.573 -1.789 1.00 0.00 C ATOM 575 C ILE A 41 3.918 14.994 -1.950 1.00 0.00 C ATOM 576 O ILE A 41 3.315 15.548 -1.030 1.00 0.00 O ATOM 577 CB ILE A 41 5.430 13.231 -1.035 1.00 0.00 C ATOM 578 CG1 ILE A 41 6.840 12.980 -0.498 1.00 0.00 C ATOM 579 CG2 ILE A 41 4.993 12.094 -1.946 1.00 0.00 C ATOM 580 CD1 ILE A 41 6.998 11.637 0.180 1.00 0.00 C ATOM 0 H ILE A 41 5.953 15.678 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 41 5.825 14.446 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 41 4.743 13.277 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.551 13.048 -1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.096 13.768 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.037 11.152 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.972 12.270 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.657 12.044 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.022 11.527 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.312 11.573 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.774 10.842 -0.531 1.00 0.00 H new ATOM 592 N HIS A 42 3.357 14.725 -3.124 1.00 0.00 N ATOM 593 CA HIS A 42 1.969 15.073 -3.406 1.00 0.00 C ATOM 594 C HIS A 42 1.014 14.148 -2.657 1.00 0.00 C ATOM 595 O HIS A 42 0.008 14.593 -2.106 1.00 0.00 O ATOM 596 CB HIS A 42 1.697 14.998 -4.909 1.00 0.00 C ATOM 597 CG HIS A 42 2.196 16.188 -5.668 1.00 0.00 C ATOM 598 ND1 HIS A 42 1.711 16.548 -6.908 1.00 0.00 N ATOM 599 CD2 HIS A 42 3.143 17.104 -5.356 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.339 17.632 -7.326 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.213 17.990 -6.402 1.00 0.00 N ATOM 0 H HIS A 42 3.842 14.267 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 42 1.800 16.094 -3.065 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.165 14.099 -5.310 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.624 14.898 -5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.734 17.132 -4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.167 18.140 -8.264 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.838 18.794 -6.457 1.00 0.00 H new ATOM 610 N GLY A 43 1.336 12.858 -2.643 1.00 0.00 N ATOM 611 CA GLY A 43 0.497 11.891 -1.960 1.00 0.00 C ATOM 612 C GLY A 43 1.162 10.535 -1.830 1.00 0.00 C ATOM 613 O GLY A 43 2.385 10.443 -1.731 1.00 0.00 O ATOM 0 H GLY A 43 2.163 12.466 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.249 12.267 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.442 11.781 -2.503 1.00 0.00 H new ATOM 617 N PHE A 44 0.354 9.480 -1.828 1.00 0.00 N ATOM 618 CA PHE A 44 0.872 8.122 -1.706 1.00 0.00 C ATOM 619 C PHE A 44 0.005 7.138 -2.486 1.00 0.00 C ATOM 620 O PHE A 44 -1.216 7.111 -2.332 1.00 0.00 O ATOM 621 CB PHE A 44 0.935 7.708 -0.235 1.00 0.00 C ATOM 622 CG PHE A 44 2.119 8.273 0.497 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.409 7.937 0.117 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.943 9.140 1.563 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.500 8.455 0.789 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.030 9.661 2.238 1.00 0.00 C ATOM 627 CZ PHE A 44 4.311 9.319 1.850 1.00 0.00 C ATOM 0 H PHE A 44 -0.661 9.539 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 44 1.878 8.104 -2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.021 8.031 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.965 6.620 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.563 7.263 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.944 9.412 1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.500 8.184 0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.878 10.335 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.163 9.726 2.375 1.00 0.00 H new ATOM 637 N TYR A 45 0.646 6.330 -3.324 1.00 0.00 N ATOM 638 CA TYR A 45 -0.066 5.346 -4.131 1.00 0.00 C ATOM 639 C TYR A 45 0.011 3.962 -3.495 1.00 0.00 C ATOM 640 O TYR A 45 1.054 3.562 -2.976 1.00 0.00 O ATOM 641 CB TYR A 45 0.513 5.302 -5.547 1.00 0.00 C ATOM 642 CG TYR A 45 -0.092 6.326 -6.480 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.467 6.516 -6.538 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.712 7.104 -7.304 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.024 7.450 -7.391 1.00 0.00 C ATOM 646 CE2 TYR A 45 0.164 8.042 -8.158 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.204 8.210 -8.198 1.00 0.00 C ATOM 648 OH TYR A 45 -1.755 9.143 -9.047 1.00 0.00 O ATOM 0 H TYR A 45 1.657 6.337 -3.462 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.113 5.645 -4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.590 5.461 -5.495 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.358 4.307 -5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.112 5.924 -5.906 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.784 6.973 -7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.095 7.584 -7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.803 8.640 -8.790 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.041 9.594 -9.545 1.00 0.00 H new ATOM 658 N ILE A 46 -1.100 3.234 -3.540 1.00 0.00 N ATOM 659 CA ILE A 46 -1.159 1.894 -2.970 1.00 0.00 C ATOM 660 C ILE A 46 -1.728 0.895 -3.972 1.00 0.00 C ATOM 661 O ILE A 46 -2.818 1.093 -4.510 1.00 0.00 O ATOM 662 CB ILE A 46 -2.014 1.864 -1.690 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.417 2.792 -0.629 1.00 0.00 C ATOM 664 CG2 ILE A 46 -2.122 0.443 -1.158 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.448 3.384 0.306 1.00 0.00 C ATOM 0 H ILE A 46 -1.971 3.550 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.136 1.612 -2.720 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.016 2.218 -1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.684 2.237 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.882 3.601 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.729 0.439 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.588 -0.193 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.126 0.064 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.953 4.031 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.168 3.967 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.967 2.582 0.830 1.00 0.00 H new ATOM 677 N TYR A 47 -0.985 -0.178 -4.216 1.00 0.00 N ATOM 678 CA TYR A 47 -1.415 -1.208 -5.154 1.00 0.00 C ATOM 679 C TYR A 47 -1.795 -2.490 -4.418 1.00 0.00 C ATOM 680 O TYR A 47 -1.246 -2.798 -3.360 1.00 0.00 O ATOM 681 CB TYR A 47 -0.308 -1.498 -6.168 1.00 0.00 C ATOM 682 CG TYR A 47 0.074 -0.300 -7.007 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.654 0.822 -6.427 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.144 -0.289 -8.379 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.004 1.920 -7.189 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.205 0.804 -9.149 1.00 0.00 C ATOM 687 CZ TYR A 47 0.778 1.906 -8.549 1.00 0.00 C ATOM 688 OH TYR A 47 1.127 2.997 -9.312 1.00 0.00 O ATOM 0 H TYR A 47 -0.082 -0.358 -3.777 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.294 -0.839 -5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.574 -1.856 -5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.632 -2.304 -6.827 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.834 0.836 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.594 -1.149 -8.852 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.452 2.785 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.030 0.796 -10.215 1.00 0.00 H new ATOM 0 HH TYR A 47 1.130 2.746 -10.259 1.00 0.00 H new ATOM 698 N TYR A 48 -2.737 -3.233 -4.987 1.00 0.00 N ATOM 699 CA TYR A 48 -3.193 -4.481 -4.386 1.00 0.00 C ATOM 700 C TYR A 48 -3.859 -5.376 -5.427 1.00 0.00 C ATOM 701 O TYR A 48 -4.414 -4.892 -6.413 1.00 0.00 O ATOM 702 CB TYR A 48 -4.169 -4.195 -3.243 1.00 0.00 C ATOM 703 CG TYR A 48 -5.215 -3.158 -3.586 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.923 -1.801 -3.526 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.496 -3.536 -3.971 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.876 -0.851 -3.838 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.455 -2.593 -4.286 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.140 -1.252 -4.217 1.00 0.00 C ATOM 709 OH TYR A 48 -8.092 -0.308 -4.530 1.00 0.00 O ATOM 0 H TYR A 48 -3.200 -2.993 -5.864 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.322 -5.003 -3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.667 -5.122 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.607 -3.858 -2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.934 -1.483 -3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.746 -4.585 -4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.633 0.200 -3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.445 -2.904 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.651 0.532 -4.774 1.00 0.00 H new ATOM 719 N ARG A 49 -3.800 -6.684 -5.198 1.00 0.00 N ATOM 720 CA ARG A 49 -4.397 -7.647 -6.115 1.00 0.00 C ATOM 721 C ARG A 49 -4.341 -9.057 -5.534 1.00 0.00 C ATOM 722 O ARG A 49 -3.365 -9.454 -4.897 1.00 0.00 O ATOM 723 CB ARG A 49 -3.678 -7.611 -7.465 1.00 0.00 C ATOM 724 CG ARG A 49 -2.335 -8.324 -7.459 1.00 0.00 C ATOM 725 CD ARG A 49 -2.481 -9.789 -7.841 1.00 0.00 C ATOM 726 NE ARG A 49 -1.188 -10.464 -7.923 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.324 -10.277 -8.914 1.00 0.00 C ATOM 728 NH1 ARG A 49 -0.612 -9.441 -9.901 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.833 -10.928 -8.918 1.00 0.00 N ATOM 0 H ARG A 49 -3.345 -7.101 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.442 -7.374 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.318 -8.067 -8.220 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.527 -6.572 -7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.657 -7.831 -8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.886 -8.248 -6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.108 -10.295 -7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.991 -9.864 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.935 -11.114 -7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.500 -8.939 -9.901 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.054 -9.300 -10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.058 -11.572 -8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.496 -10.784 -9.679 1.00 0.00 H new ATOM 743 N PRO A 50 -5.412 -9.833 -5.758 1.00 0.00 N ATOM 744 CA PRO A 50 -5.509 -11.210 -5.266 1.00 0.00 C ATOM 745 C PRO A 50 -4.553 -12.153 -5.989 1.00 0.00 C ATOM 746 O PRO A 50 -4.376 -12.063 -7.204 1.00 0.00 O ATOM 747 CB PRO A 50 -6.962 -11.591 -5.562 1.00 0.00 C ATOM 748 CG PRO A 50 -7.359 -10.715 -6.700 1.00 0.00 C ATOM 749 CD PRO A 50 -6.611 -9.425 -6.510 1.00 0.00 C ATOM 0 HA PRO A 50 -5.240 -11.286 -4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.049 -12.645 -5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.600 -11.425 -4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.105 -11.176 -7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.436 -10.545 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.350 -8.967 -7.464 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.203 -8.695 -5.958 1.00 0.00 H new ATOM 757 N THR A 51 -3.939 -13.059 -5.234 1.00 0.00 N ATOM 758 CA THR A 51 -3.000 -14.018 -5.803 1.00 0.00 C ATOM 759 C THR A 51 -3.648 -14.822 -6.924 1.00 0.00 C ATOM 760 O THR A 51 -2.959 -15.399 -7.765 1.00 0.00 O ATOM 761 CB THR A 51 -2.470 -14.988 -4.731 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.161 -15.446 -5.088 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.403 -16.179 -4.570 1.00 0.00 C ATOM 0 H THR A 51 -4.075 -13.149 -4.227 1.00 0.00 H new ATOM 0 HA THR A 51 -2.166 -13.443 -6.207 1.00 0.00 H new ATOM 0 HB THR A 51 -2.421 -14.454 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.831 -16.061 -4.400 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.008 -16.850 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.391 -15.829 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.480 -16.712 -5.518 1.00 0.00 H new ATOM 771 N ASP A 52 -4.976 -14.856 -6.930 1.00 0.00 N ATOM 772 CA ASP A 52 -5.718 -15.589 -7.950 1.00 0.00 C ATOM 773 C ASP A 52 -5.631 -14.881 -9.299 1.00 0.00 C ATOM 774 O ASP A 52 -5.810 -15.499 -10.348 1.00 0.00 O ATOM 775 CB ASP A 52 -7.181 -15.744 -7.534 1.00 0.00 C ATOM 776 CG ASP A 52 -8.098 -15.975 -8.719 1.00 0.00 C ATOM 777 OD1 ASP A 52 -8.394 -14.999 -9.440 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.519 -17.132 -8.926 1.00 0.00 O ATOM 0 H ASP A 52 -5.561 -14.385 -6.240 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.271 -16.578 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.272 -16.579 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.501 -14.849 -7.000 1.00 0.00 H new ATOM 783 N SER A 53 -5.356 -13.581 -9.262 1.00 0.00 N ATOM 784 CA SER A 53 -5.251 -12.787 -10.481 1.00 0.00 C ATOM 785 C SER A 53 -4.282 -13.433 -11.467 1.00 0.00 C ATOM 786 O SER A 53 -3.716 -14.492 -11.196 1.00 0.00 O ATOM 787 CB SER A 53 -4.790 -11.366 -10.152 1.00 0.00 C ATOM 788 OG SER A 53 -5.895 -10.522 -9.880 1.00 0.00 O ATOM 0 H SER A 53 -5.202 -13.055 -8.402 1.00 0.00 H new ATOM 0 HA SER A 53 -6.237 -12.743 -10.943 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.123 -11.387 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.218 -10.963 -10.988 1.00 0.00 H new ATOM 0 HG SER A 53 -6.333 -10.275 -10.721 1.00 0.00 H new ATOM 794 N ASP A 54 -4.098 -12.787 -12.613 1.00 0.00 N ATOM 795 CA ASP A 54 -3.197 -13.296 -13.641 1.00 0.00 C ATOM 796 C ASP A 54 -1.812 -12.669 -13.510 1.00 0.00 C ATOM 797 O ASP A 54 -0.821 -13.368 -13.306 1.00 0.00 O ATOM 798 CB ASP A 54 -3.767 -13.017 -15.033 1.00 0.00 C ATOM 799 CG ASP A 54 -3.154 -13.904 -16.098 1.00 0.00 C ATOM 800 OD1 ASP A 54 -1.910 -13.998 -16.149 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.919 -14.506 -16.882 1.00 0.00 O ATOM 0 H ASP A 54 -4.560 -11.910 -12.854 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.103 -14.373 -13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.847 -13.167 -15.017 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.594 -11.972 -15.291 1.00 0.00 H new ATOM 806 N ASN A 55 -1.753 -11.347 -13.629 1.00 0.00 N ATOM 807 CA ASN A 55 -0.490 -10.626 -13.525 1.00 0.00 C ATOM 808 C ASN A 55 -0.711 -9.218 -12.979 1.00 0.00 C ATOM 809 O ASN A 55 -1.830 -8.845 -12.629 1.00 0.00 O ATOM 810 CB ASN A 55 0.194 -10.554 -14.891 1.00 0.00 C ATOM 811 CG ASN A 55 -0.681 -9.899 -15.942 1.00 0.00 C ATOM 812 OD1 ASN A 55 -0.590 -8.694 -16.179 1.00 0.00 O ATOM 813 ND2 ASN A 55 -1.535 -10.691 -16.579 1.00 0.00 N ATOM 0 H ASN A 55 -2.565 -10.753 -13.798 1.00 0.00 H new ATOM 0 HA ASN A 55 0.154 -11.168 -12.832 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.126 -9.996 -14.799 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.456 -11.561 -15.216 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.149 -10.306 -17.297 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.577 -11.684 -16.351 1.00 0.00 H new ATOM 820 N ASP A 56 0.365 -8.441 -12.911 1.00 0.00 N ATOM 821 CA ASP A 56 0.289 -7.073 -12.410 1.00 0.00 C ATOM 822 C ASP A 56 -0.838 -6.306 -13.094 1.00 0.00 C ATOM 823 O ASP A 56 -1.292 -5.275 -12.596 1.00 0.00 O ATOM 824 CB ASP A 56 1.620 -6.353 -12.629 1.00 0.00 C ATOM 825 CG ASP A 56 1.980 -6.236 -14.098 1.00 0.00 C ATOM 826 OD1 ASP A 56 2.038 -7.280 -14.780 1.00 0.00 O ATOM 827 OD2 ASP A 56 2.203 -5.099 -14.564 1.00 0.00 O ATOM 0 H ASP A 56 1.299 -8.735 -13.196 1.00 0.00 H new ATOM 0 HA ASP A 56 0.079 -7.114 -11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.567 -5.357 -12.190 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.411 -6.890 -12.106 1.00 0.00 H new ATOM 832 N SER A 57 -1.284 -6.814 -14.238 1.00 0.00 N ATOM 833 CA SER A 57 -2.354 -6.173 -14.993 1.00 0.00 C ATOM 834 C SER A 57 -3.569 -5.919 -14.105 1.00 0.00 C ATOM 835 O SER A 57 -4.451 -5.134 -14.452 1.00 0.00 O ATOM 836 CB SER A 57 -2.754 -7.041 -16.188 1.00 0.00 C ATOM 837 OG SER A 57 -1.903 -6.807 -17.296 1.00 0.00 O ATOM 0 H SER A 57 -0.921 -7.668 -14.662 1.00 0.00 H new ATOM 0 HA SER A 57 -1.985 -5.214 -15.357 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.710 -8.093 -15.908 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.786 -6.828 -16.467 1.00 0.00 H new ATOM 0 HG SER A 57 -1.209 -7.498 -17.327 1.00 0.00 H new ATOM 843 N ASP A 58 -3.606 -6.589 -12.959 1.00 0.00 N ATOM 844 CA ASP A 58 -4.710 -6.437 -12.020 1.00 0.00 C ATOM 845 C ASP A 58 -4.378 -5.396 -10.954 1.00 0.00 C ATOM 846 O ASP A 58 -5.244 -4.632 -10.527 1.00 0.00 O ATOM 847 CB ASP A 58 -5.034 -7.777 -11.358 1.00 0.00 C ATOM 848 CG ASP A 58 -6.468 -7.851 -10.870 1.00 0.00 C ATOM 849 OD1 ASP A 58 -6.849 -7.020 -10.020 1.00 0.00 O ATOM 850 OD2 ASP A 58 -7.209 -8.739 -11.340 1.00 0.00 O ATOM 0 H ASP A 58 -2.884 -7.243 -12.658 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.583 -6.096 -12.577 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.853 -8.583 -12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.359 -7.936 -10.517 1.00 0.00 H new ATOM 855 N TYR A 59 -3.120 -5.374 -10.529 1.00 0.00 N ATOM 856 CA TYR A 59 -2.674 -4.430 -9.512 1.00 0.00 C ATOM 857 C TYR A 59 -3.388 -3.090 -9.661 1.00 0.00 C ATOM 858 O TYR A 59 -3.314 -2.446 -10.708 1.00 0.00 O ATOM 859 CB TYR A 59 -1.161 -4.227 -9.602 1.00 0.00 C ATOM 860 CG TYR A 59 -0.369 -5.188 -8.746 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.744 -5.452 -7.434 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.755 -5.833 -9.247 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.023 -6.329 -6.647 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.481 -6.713 -8.468 1.00 0.00 C ATOM 865 CZ TYR A 59 1.089 -6.957 -7.169 1.00 0.00 C ATOM 866 OH TYR A 59 1.810 -7.832 -6.389 1.00 0.00 O ATOM 0 H TYR A 59 -2.391 -5.999 -10.873 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.920 -4.846 -8.535 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.849 -4.337 -10.641 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.922 -3.206 -9.304 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.615 -4.963 -7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.067 -5.643 -10.263 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.328 -6.522 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.351 -7.207 -8.874 1.00 0.00 H new ATOM 0 HH TYR A 59 2.562 -8.189 -6.907 1.00 0.00 H new ATOM 876 N LYS A 60 -4.079 -2.674 -8.605 1.00 0.00 N ATOM 877 CA LYS A 60 -4.806 -1.410 -8.615 1.00 0.00 C ATOM 878 C LYS A 60 -3.932 -0.275 -8.090 1.00 0.00 C ATOM 879 O LYS A 60 -2.748 -0.468 -7.811 1.00 0.00 O ATOM 880 CB LYS A 60 -6.076 -1.522 -7.769 1.00 0.00 C ATOM 881 CG LYS A 60 -7.255 -2.118 -8.519 1.00 0.00 C ATOM 882 CD LYS A 60 -8.449 -2.331 -7.603 1.00 0.00 C ATOM 883 CE LYS A 60 -9.353 -1.108 -7.573 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.417 -1.180 -8.612 1.00 0.00 N ATOM 0 H LYS A 60 -4.151 -3.194 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.081 -1.186 -9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.866 -2.135 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.350 -0.531 -7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.537 -1.457 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.962 -3.069 -8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.018 -3.197 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.100 -2.552 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.812 -1.020 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.755 -0.210 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.012 -0.329 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.979 -1.239 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.004 -2.023 -8.450 1.00 0.00 H new ATOM 898 N LYS A 61 -4.522 0.907 -7.957 1.00 0.00 N ATOM 899 CA LYS A 61 -3.799 2.073 -7.462 1.00 0.00 C ATOM 900 C LYS A 61 -4.711 2.966 -6.627 1.00 0.00 C ATOM 901 O LYS A 61 -5.750 3.424 -7.102 1.00 0.00 O ATOM 902 CB LYS A 61 -3.217 2.871 -8.631 1.00 0.00 C ATOM 903 CG LYS A 61 -2.319 4.017 -8.198 1.00 0.00 C ATOM 904 CD LYS A 61 -1.311 4.374 -9.278 1.00 0.00 C ATOM 905 CE LYS A 61 -1.893 5.361 -10.279 1.00 0.00 C ATOM 906 NZ LYS A 61 -0.893 5.765 -11.305 1.00 0.00 N ATOM 0 H LYS A 61 -5.500 1.084 -8.185 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.985 1.722 -6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.649 2.198 -9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.035 3.269 -9.232 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.929 4.890 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.792 3.743 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.420 4.803 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.997 3.469 -9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.757 4.913 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.250 6.246 -9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.328 6.438 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.080 6.215 -10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.571 4.924 -11.826 1.00 0.00 H new ATOM 920 N ASP A 62 -4.315 3.209 -5.383 1.00 0.00 N ATOM 921 CA ASP A 62 -5.096 4.050 -4.483 1.00 0.00 C ATOM 922 C ASP A 62 -4.243 5.184 -3.922 1.00 0.00 C ATOM 923 O ASP A 62 -3.372 4.961 -3.081 1.00 0.00 O ATOM 924 CB ASP A 62 -5.670 3.212 -3.339 1.00 0.00 C ATOM 925 CG ASP A 62 -7.032 2.636 -3.670 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.256 2.282 -4.846 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.875 2.539 -2.753 1.00 0.00 O ATOM 0 H ASP A 62 -3.458 2.836 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.917 4.485 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.982 2.399 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.748 3.829 -2.444 1.00 0.00 H new ATOM 932 N MET A 63 -4.500 6.399 -4.393 1.00 0.00 N ATOM 933 CA MET A 63 -3.756 7.568 -3.938 1.00 0.00 C ATOM 934 C MET A 63 -4.153 7.945 -2.514 1.00 0.00 C ATOM 935 O MET A 63 -5.267 7.659 -2.073 1.00 0.00 O ATOM 936 CB MET A 63 -3.999 8.751 -4.877 1.00 0.00 C ATOM 937 CG MET A 63 -2.838 9.731 -4.932 1.00 0.00 C ATOM 938 SD MET A 63 -2.814 10.858 -3.524 1.00 0.00 S ATOM 939 CE MET A 63 -4.290 11.823 -3.837 1.00 0.00 C ATOM 0 H MET A 63 -5.218 6.600 -5.089 1.00 0.00 H new ATOM 0 HA MET A 63 -2.695 7.318 -3.947 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.193 8.374 -5.881 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.896 9.281 -4.556 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.900 9.176 -4.965 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.899 10.309 -5.854 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.188 12.805 -3.375 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.427 11.940 -4.912 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.155 11.312 -3.415 1.00 0.00 H new ATOM 949 N VAL A 64 -3.235 8.587 -1.799 1.00 0.00 N ATOM 950 CA VAL A 64 -3.490 9.004 -0.425 1.00 0.00 C ATOM 951 C VAL A 64 -2.803 10.329 -0.116 1.00 0.00 C ATOM 952 O VAL A 64 -1.691 10.585 -0.578 1.00 0.00 O ATOM 953 CB VAL A 64 -3.010 7.942 0.582 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.473 8.290 1.988 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.504 6.561 0.176 1.00 0.00 C ATOM 0 H VAL A 64 -2.308 8.830 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.569 9.126 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.920 7.929 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.124 7.528 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.065 9.259 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.562 8.333 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.156 5.823 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.594 6.557 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.117 6.312 -0.812 1.00 0.00 H new ATOM 965 N GLU A 65 -3.472 11.167 0.669 1.00 0.00 N ATOM 966 CA GLU A 65 -2.924 12.467 1.040 1.00 0.00 C ATOM 967 C GLU A 65 -1.439 12.357 1.374 1.00 0.00 C ATOM 968 O GLU A 65 -0.999 11.382 1.981 1.00 0.00 O ATOM 969 CB GLU A 65 -3.686 13.044 2.235 1.00 0.00 C ATOM 970 CG GLU A 65 -5.159 12.674 2.254 1.00 0.00 C ATOM 971 CD GLU A 65 -5.811 12.804 0.891 1.00 0.00 C ATOM 972 OE1 GLU A 65 -5.961 13.947 0.413 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.172 11.762 0.304 1.00 0.00 O ATOM 0 H GLU A 65 -4.393 10.970 1.060 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.038 13.137 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.220 12.693 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.593 14.130 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.268 11.649 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.681 13.314 2.965 1.00 0.00 H new ATOM 980 N GLY A 66 -0.672 13.365 0.971 1.00 0.00 N ATOM 981 CA GLY A 66 0.755 13.362 1.235 1.00 0.00 C ATOM 982 C GLY A 66 1.071 13.385 2.717 1.00 0.00 C ATOM 983 O GLY A 66 2.104 12.872 3.147 1.00 0.00 O ATOM 0 H GLY A 66 -1.013 14.183 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.203 12.476 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.212 14.228 0.756 1.00 0.00 H new ATOM 987 N ASP A 67 0.179 13.982 3.501 1.00 0.00 N ATOM 988 CA ASP A 67 0.368 14.071 4.944 1.00 0.00 C ATOM 989 C ASP A 67 -0.118 12.800 5.635 1.00 0.00 C ATOM 990 O ASP A 67 0.069 12.626 6.839 1.00 0.00 O ATOM 991 CB ASP A 67 -0.374 15.286 5.503 1.00 0.00 C ATOM 992 CG ASP A 67 0.117 16.590 4.905 1.00 0.00 C ATOM 993 OD1 ASP A 67 0.300 16.645 3.671 1.00 0.00 O ATOM 994 OD2 ASP A 67 0.317 17.555 5.671 1.00 0.00 O ATOM 0 H ASP A 67 -0.682 14.411 3.161 1.00 0.00 H new ATOM 0 HA ASP A 67 1.434 14.185 5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.441 15.179 5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.251 15.317 6.586 1.00 0.00 H new ATOM 999 N ARG A 68 -0.744 11.917 4.864 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.260 10.664 5.402 1.00 0.00 C ATOM 1001 C ARG A 68 -0.219 9.554 5.288 1.00 0.00 C ATOM 1002 O ARG A 68 0.410 9.384 4.242 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.538 10.256 4.668 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.441 9.340 5.478 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.129 10.092 6.606 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.357 10.744 6.159 1.00 0.00 N ATOM 1007 CZ ARG A 68 -5.399 11.984 5.684 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -4.288 12.701 5.594 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -6.555 12.508 5.297 1.00 0.00 N ATOM 0 H ARG A 68 -0.906 12.046 3.865 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.489 10.818 6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.094 11.154 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.268 9.756 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.192 8.896 4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.853 8.520 5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.360 9.400 7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.448 10.840 7.011 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.230 10.219 6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.398 12.301 5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.323 13.653 5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.412 11.959 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.587 13.460 4.932 1.00 0.00 H new ATOM 1023 N TYR A 69 -0.041 8.802 6.368 1.00 0.00 N ATOM 1024 CA TYR A 69 0.925 7.711 6.390 1.00 0.00 C ATOM 1025 C TYR A 69 0.231 6.373 6.623 1.00 0.00 C ATOM 1026 O TYR A 69 0.882 5.359 6.879 1.00 0.00 O ATOM 1027 CB TYR A 69 1.972 7.951 7.479 1.00 0.00 C ATOM 1028 CG TYR A 69 3.115 8.836 7.036 1.00 0.00 C ATOM 1029 CD1 TYR A 69 2.877 10.091 6.489 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.434 8.417 7.165 1.00 0.00 C ATOM 1031 CE1 TYR A 69 3.918 10.902 6.081 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.482 9.223 6.761 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.219 10.464 6.220 1.00 0.00 C ATOM 1034 OH TYR A 69 6.259 11.269 5.817 1.00 0.00 O ATOM 0 H TYR A 69 -0.554 8.928 7.241 1.00 0.00 H new ATOM 0 HA TYR A 69 1.420 7.679 5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.487 8.404 8.344 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.372 6.991 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.860 10.438 6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.644 7.446 7.588 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.715 11.874 5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.501 8.883 6.868 1.00 0.00 H new ATOM 0 HH TYR A 69 7.110 10.813 5.985 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.094 6.378 6.532 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.878 5.164 6.732 1.00 0.00 C ATOM 1046 C TRP A 70 -3.054 5.110 5.763 1.00 0.00 C ATOM 1047 O TRP A 70 -3.587 6.145 5.361 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.386 5.092 8.174 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.573 5.969 8.430 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.563 7.230 8.956 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.945 5.651 8.174 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.846 7.714 9.042 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.712 6.765 8.567 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.600 4.534 7.648 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -7.100 6.791 8.452 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.977 4.561 7.535 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.715 5.684 7.935 1.00 0.00 C ATOM 0 H TRP A 70 -1.648 7.208 6.321 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.232 4.308 6.538 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.648 4.060 8.408 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.580 5.377 8.850 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.677 7.767 9.260 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.111 8.631 9.401 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.040 3.665 7.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.670 7.655 8.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.493 3.702 7.132 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.790 5.675 7.833 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.454 3.899 5.392 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.569 3.711 4.470 1.00 0.00 C ATOM 1070 C HIS A 71 -5.275 2.384 4.734 1.00 0.00 C ATOM 1071 O HIS A 71 -4.646 1.403 5.129 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.076 3.760 3.024 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.180 3.727 2.012 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -5.957 4.825 1.710 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.635 2.719 1.231 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -6.843 4.494 0.788 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.669 3.221 0.480 1.00 0.00 N ATOM 0 H HIS A 71 -3.023 3.033 5.715 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.282 4.520 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.489 4.667 2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.408 2.917 2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.255 1.708 1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.584 5.152 0.359 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.214 2.697 -0.204 1.00 0.00 H new ATOM 1086 N SER A 72 -6.586 2.363 4.514 1.00 0.00 N ATOM 1087 CA SER A 72 -7.378 1.158 4.733 1.00 0.00 C ATOM 1088 C SER A 72 -8.049 0.707 3.439 1.00 0.00 C ATOM 1089 O SER A 72 -9.064 1.269 3.025 1.00 0.00 O ATOM 1090 CB SER A 72 -8.435 1.406 5.810 1.00 0.00 C ATOM 1091 OG SER A 72 -9.418 2.322 5.359 1.00 0.00 O ATOM 0 H SER A 72 -7.122 3.166 4.185 1.00 0.00 H new ATOM 0 HA SER A 72 -6.707 0.367 5.069 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.910 0.463 6.082 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.958 1.794 6.710 1.00 0.00 H new ATOM 0 HG SER A 72 -9.551 2.211 4.394 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.476 -0.310 2.806 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.019 -0.837 1.560 1.00 0.00 C ATOM 1099 C ILE A 73 -9.343 -1.554 1.797 1.00 0.00 C ATOM 1100 O ILE A 73 -9.544 -2.181 2.838 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.035 -1.811 0.885 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.637 -1.193 0.818 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.525 -2.178 -0.508 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.530 -2.216 0.687 1.00 0.00 C ATOM 0 H ILE A 73 -6.636 -0.786 3.135 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.183 0.016 0.902 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.981 -2.722 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.591 -0.509 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.468 -0.599 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.819 -2.867 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.503 -2.654 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.605 -1.276 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.567 -1.707 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.549 -2.885 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.675 -2.794 -0.226 1.00 0.00 H new ATOM 1116 N SER A 74 -10.244 -1.459 0.825 1.00 0.00 N ATOM 1117 CA SER A 74 -11.552 -2.097 0.929 1.00 0.00 C ATOM 1118 C SER A 74 -11.895 -2.843 -0.357 1.00 0.00 C ATOM 1119 O SER A 74 -11.139 -2.811 -1.328 1.00 0.00 O ATOM 1120 CB SER A 74 -12.629 -1.053 1.230 1.00 0.00 C ATOM 1121 OG SER A 74 -12.125 -0.026 2.065 1.00 0.00 O ATOM 0 H SER A 74 -10.093 -0.946 -0.044 1.00 0.00 H new ATOM 0 HA SER A 74 -11.515 -2.816 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.993 -0.622 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.480 -1.533 1.712 1.00 0.00 H new ATOM 0 HG SER A 74 -12.832 0.629 2.241 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.042 -3.516 -0.355 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.488 -4.270 -1.520 1.00 0.00 C ATOM 1129 C HIS A 75 -12.491 -5.372 -1.868 1.00 0.00 C ATOM 1130 O HIS A 75 -12.066 -5.499 -3.017 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.673 -3.338 -2.718 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.710 -2.279 -2.498 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -15.084 -1.628 -1.372 1.00 0.00 N flip ATOM 1134 CD2 HIS A 75 -15.500 -1.778 -3.510 1.00 0.00 C flip ATOM 1135 CE1 HIS A 75 -16.083 -0.753 -1.721 1.00 0.00 C flip ATOM 1136 NE2 HIS A 75 -16.315 -0.862 -3.017 1.00 0.00 N flip ATOM 0 H HIS A 75 -13.679 -3.554 0.441 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.445 -4.732 -1.278 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.720 -2.860 -2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.950 -3.931 -3.590 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.459 -2.086 -4.544 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -16.596 -0.084 -1.046 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -17.005 -0.330 -3.547 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.122 -6.166 -0.869 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.174 -7.257 -1.068 1.00 0.00 C ATOM 1147 C LEU A 76 -11.840 -8.607 -0.825 1.00 0.00 C ATOM 1148 O LEU A 76 -13.045 -8.682 -0.587 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.973 -7.092 -0.136 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.399 -5.679 -0.023 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.783 -5.461 1.350 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.371 -5.432 -1.117 1.00 0.00 C ATOM 0 H LEU A 76 -12.465 -6.075 0.087 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.830 -7.223 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.263 -7.425 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.180 -7.758 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.213 -4.966 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.380 -4.450 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.546 -5.595 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.981 -6.182 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.973 -4.422 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.559 -6.152 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.844 -5.545 -2.093 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.046 -9.672 -0.886 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.559 -11.020 -0.670 1.00 0.00 C ATOM 1166 C GLN A 77 -11.251 -11.499 0.744 1.00 0.00 C ATOM 1167 O GLN A 77 -10.179 -11.245 1.293 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.956 -11.986 -1.691 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.094 -11.515 -3.130 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.088 -10.441 -3.492 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.248 -10.061 -2.675 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -10.168 -9.944 -4.721 1.00 0.00 N ATOM 0 H GLN A 77 -10.046 -9.627 -1.083 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.641 -10.995 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.899 -12.129 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.438 -12.958 -1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.969 -12.365 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.102 -11.131 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.880 -10.289 -5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.517 -9.218 -5.021 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.214 -12.210 1.351 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.069 -12.741 2.710 1.00 0.00 C ATOM 1183 C PRO A 78 -11.050 -13.872 2.785 1.00 0.00 C ATOM 1184 O PRO A 78 -10.805 -14.565 1.798 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.471 -13.261 3.038 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.083 -13.563 1.714 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.517 -12.552 0.756 1.00 0.00 C ATOM 0 HA PRO A 78 -11.706 -11.985 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.426 -14.151 3.666 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.052 -12.516 3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.844 -14.578 1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.170 -13.491 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.405 -12.967 -0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.161 -11.677 0.669 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.459 -14.054 3.962 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.466 -15.102 4.164 1.00 0.00 C ATOM 1197 C GLU A 79 -8.643 -15.323 2.898 1.00 0.00 C ATOM 1198 O GLU A 79 -8.283 -16.453 2.566 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.147 -16.408 4.576 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.539 -16.580 3.991 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.119 -17.955 4.260 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.581 -18.943 3.720 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -13.113 -18.042 5.012 1.00 0.00 O ATOM 0 H GLU A 79 -10.651 -13.489 4.790 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.796 -14.782 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.525 -17.247 4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.212 -16.447 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.201 -15.822 4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.500 -16.410 2.915 1.00 0.00 H new ATOM 1210 N THR A 80 -8.347 -14.234 2.194 1.00 0.00 N ATOM 1211 CA THR A 80 -7.568 -14.307 0.964 1.00 0.00 C ATOM 1212 C THR A 80 -6.168 -13.741 1.166 1.00 0.00 C ATOM 1213 O THR A 80 -5.985 -12.526 1.242 1.00 0.00 O ATOM 1214 CB THR A 80 -8.258 -13.546 -0.183 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.589 -14.040 -0.369 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.472 -13.692 -1.478 1.00 0.00 C ATOM 0 H THR A 80 -8.635 -13.291 2.455 1.00 0.00 H new ATOM 0 HA THR A 80 -7.495 -15.361 0.698 1.00 0.00 H new ATOM 0 HB THR A 80 -8.298 -12.490 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.110 -13.893 0.448 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.978 -13.146 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.469 -13.288 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.405 -14.746 -1.746 1.00 0.00 H new ATOM 1224 N SER A 81 -5.182 -14.628 1.252 1.00 0.00 N ATOM 1225 CA SER A 81 -3.797 -14.215 1.447 1.00 0.00 C ATOM 1226 C SER A 81 -3.176 -13.754 0.132 1.00 0.00 C ATOM 1227 O SER A 81 -2.809 -14.569 -0.714 1.00 0.00 O ATOM 1228 CB SER A 81 -2.978 -15.366 2.035 1.00 0.00 C ATOM 1229 OG SER A 81 -1.917 -14.880 2.839 1.00 0.00 O ATOM 0 H SER A 81 -5.316 -15.637 1.190 1.00 0.00 H new ATOM 0 HA SER A 81 -3.789 -13.378 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.625 -16.009 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.576 -15.979 1.228 1.00 0.00 H new ATOM 0 HG SER A 81 -1.411 -15.635 3.204 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.063 -12.440 -0.032 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.489 -11.869 -1.244 1.00 0.00 C ATOM 1237 C TYR A 82 -1.405 -10.849 -0.906 1.00 0.00 C ATOM 1238 O TYR A 82 -1.399 -10.271 0.181 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.581 -11.208 -2.087 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.437 -10.231 -1.313 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.012 -8.926 -1.096 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.668 -10.614 -0.797 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.791 -8.030 -0.389 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.454 -9.725 -0.089 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.011 -8.434 0.112 1.00 0.00 C ATOM 1246 OH TYR A 82 -6.789 -7.546 0.818 1.00 0.00 O ATOM 0 H TYR A 82 -3.361 -11.751 0.659 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.035 -12.678 -1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.116 -10.687 -2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.221 -11.983 -2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.057 -8.607 -1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.017 -11.624 -0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.446 -7.019 -0.230 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.409 -10.039 0.305 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.579 -8.009 1.168 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.491 -10.634 -1.845 1.00 0.00 N ATOM 1257 CA ASP A 83 0.598 -9.684 -1.649 1.00 0.00 C ATOM 1258 C ASP A 83 0.078 -8.250 -1.676 1.00 0.00 C ATOM 1259 O ASP A 83 -0.948 -7.963 -2.293 1.00 0.00 O ATOM 1260 CB ASP A 83 1.668 -9.872 -2.725 1.00 0.00 C ATOM 1261 CG ASP A 83 2.584 -11.044 -2.431 1.00 0.00 C ATOM 1262 OD1 ASP A 83 3.137 -11.100 -1.313 1.00 0.00 O ATOM 1263 OD2 ASP A 83 2.747 -11.906 -3.320 1.00 0.00 O ATOM 0 H ASP A 83 -0.482 -11.105 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 83 1.041 -9.873 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.186 -10.025 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.262 -8.962 -2.806 1.00 0.00 H new ATOM 1268 N ILE A 84 0.793 -7.354 -1.003 1.00 0.00 N ATOM 1269 CA ILE A 84 0.403 -5.951 -0.950 1.00 0.00 C ATOM 1270 C ILE A 84 1.627 -5.041 -0.934 1.00 0.00 C ATOM 1271 O ILE A 84 2.624 -5.334 -0.274 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.461 -5.652 0.289 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.751 -6.474 0.248 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.775 -4.166 0.369 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.384 -6.672 1.608 1.00 0.00 C ATOM 0 H ILE A 84 1.645 -7.575 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.183 -5.753 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 84 0.098 -5.933 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.467 -5.979 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.537 -7.449 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.386 -3.970 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.154 -3.601 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.318 -3.860 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.294 -7.263 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.685 -7.194 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.629 -5.702 2.040 1.00 0.00 H new ATOM 1287 N LYS A 85 1.545 -3.934 -1.665 1.00 0.00 N ATOM 1288 CA LYS A 85 2.643 -2.978 -1.733 1.00 0.00 C ATOM 1289 C LYS A 85 2.127 -1.576 -2.038 1.00 0.00 C ATOM 1290 O LYS A 85 0.967 -1.400 -2.412 1.00 0.00 O ATOM 1291 CB LYS A 85 3.652 -3.405 -2.802 1.00 0.00 C ATOM 1292 CG LYS A 85 3.208 -3.086 -4.219 1.00 0.00 C ATOM 1293 CD LYS A 85 4.209 -3.592 -5.245 1.00 0.00 C ATOM 1294 CE LYS A 85 3.531 -3.937 -6.562 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.337 -2.734 -7.417 1.00 0.00 N ATOM 0 H LYS A 85 0.728 -3.677 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 85 3.137 -2.960 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.604 -2.911 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.826 -4.478 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.234 -3.538 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.086 -2.008 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.972 -2.833 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.718 -4.473 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.132 -4.671 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.565 -4.401 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.812 -2.999 -8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.800 -2.016 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.264 -2.345 -7.685 1.00 0.00 H new ATOM 1309 N MET A 86 2.994 -0.582 -1.877 1.00 0.00 N ATOM 1310 CA MET A 86 2.625 0.804 -2.138 1.00 0.00 C ATOM 1311 C MET A 86 3.847 1.627 -2.534 1.00 0.00 C ATOM 1312 O MET A 86 4.978 1.267 -2.211 1.00 0.00 O ATOM 1313 CB MET A 86 1.960 1.418 -0.904 1.00 0.00 C ATOM 1314 CG MET A 86 2.911 1.612 0.265 1.00 0.00 C ATOM 1315 SD MET A 86 3.698 3.234 0.259 1.00 0.00 S ATOM 1316 CE MET A 86 2.264 4.306 0.198 1.00 0.00 C ATOM 0 H MET A 86 3.957 -0.711 -1.567 1.00 0.00 H new ATOM 0 HA MET A 86 1.917 0.815 -2.967 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.529 2.382 -1.175 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.136 0.778 -0.589 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.364 1.481 1.199 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.679 0.840 0.235 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.453 5.200 0.792 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.067 4.591 -0.835 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.399 3.779 0.600 1.00 0.00 H new ATOM 1326 N GLN A 87 3.609 2.731 -3.235 1.00 0.00 N ATOM 1327 CA GLN A 87 4.692 3.603 -3.675 1.00 0.00 C ATOM 1328 C GLN A 87 4.266 5.067 -3.625 1.00 0.00 C ATOM 1329 O GLN A 87 3.097 5.391 -3.839 1.00 0.00 O ATOM 1330 CB GLN A 87 5.127 3.235 -5.094 1.00 0.00 C ATOM 1331 CG GLN A 87 6.079 4.241 -5.719 1.00 0.00 C ATOM 1332 CD GLN A 87 6.057 4.203 -7.235 1.00 0.00 C ATOM 1333 OE1 GLN A 87 5.299 4.933 -7.875 1.00 0.00 O ATOM 1334 NE2 GLN A 87 6.889 3.348 -7.818 1.00 0.00 N ATOM 0 H GLN A 87 2.677 3.042 -3.510 1.00 0.00 H new ATOM 0 HA GLN A 87 5.534 3.465 -2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.607 2.256 -5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.242 3.145 -5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.816 5.243 -5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.092 4.042 -5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.500 2.762 -7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.917 3.277 -8.835 1.00 0.00 H new ATOM 1343 N CYS A 88 5.220 5.946 -3.342 1.00 0.00 N ATOM 1344 CA CYS A 88 4.943 7.376 -3.263 1.00 0.00 C ATOM 1345 C CYS A 88 5.303 8.073 -4.571 1.00 0.00 C ATOM 1346 O CYS A 88 6.006 7.512 -5.412 1.00 0.00 O ATOM 1347 CB CYS A 88 5.722 8.004 -2.106 1.00 0.00 C ATOM 1348 SG CYS A 88 7.413 8.484 -2.528 1.00 0.00 S ATOM 0 H CYS A 88 6.192 5.694 -3.163 1.00 0.00 H new ATOM 0 HA CYS A 88 3.875 7.505 -3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.183 8.884 -1.755 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.753 7.297 -1.277 1.00 0.00 H new ATOM 0 HG CYS A 88 7.989 9.006 -1.486 1.00 0.00 H new ATOM 1354 N PHE A 89 4.816 9.298 -4.737 1.00 0.00 N ATOM 1355 CA PHE A 89 5.084 10.070 -5.944 1.00 0.00 C ATOM 1356 C PHE A 89 4.919 11.565 -5.681 1.00 0.00 C ATOM 1357 O PHE A 89 4.256 11.968 -4.727 1.00 0.00 O ATOM 1358 CB PHE A 89 4.148 9.633 -7.073 1.00 0.00 C ATOM 1359 CG PHE A 89 2.725 10.071 -6.875 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.961 9.545 -5.845 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.150 11.007 -7.719 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.651 9.946 -5.660 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.841 11.412 -7.538 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.090 10.879 -6.509 1.00 0.00 C ATOM 0 H PHE A 89 4.234 9.777 -4.051 1.00 0.00 H new ATOM 0 HA PHE A 89 6.115 9.883 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.516 10.037 -8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.177 8.547 -7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.394 8.813 -5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.731 11.425 -8.528 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.067 9.530 -4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.406 12.145 -8.201 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.934 11.191 -6.369 1.00 0.00 H new ATOM 1374 N ASN A 90 5.528 12.380 -6.536 1.00 0.00 N ATOM 1375 CA ASN A 90 5.450 13.830 -6.396 1.00 0.00 C ATOM 1376 C ASN A 90 5.913 14.525 -7.673 1.00 0.00 C ATOM 1377 O ASN A 90 6.466 13.890 -8.571 1.00 0.00 O ATOM 1378 CB ASN A 90 6.300 14.295 -5.212 1.00 0.00 C ATOM 1379 CG ASN A 90 7.724 14.623 -5.616 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.473 13.604 -6.021 1.00 0.00 O flip ATOM 1381 ND2 ASN A 90 8.146 15.779 -5.564 1.00 0.00 N flip ATOM 0 H ASN A 90 6.080 12.062 -7.332 1.00 0.00 H new ATOM 0 HA ASN A 90 4.409 14.098 -6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.841 15.175 -4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.312 13.517 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.535 16.531 -5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.107 15.984 -5.839 1.00 0.00 H new ATOM 1388 N GLU A 91 5.684 15.832 -7.745 1.00 0.00 N ATOM 1389 CA GLU A 91 6.078 16.613 -8.912 1.00 0.00 C ATOM 1390 C GLU A 91 7.400 16.109 -9.483 1.00 0.00 C ATOM 1391 O GLU A 91 7.620 16.145 -10.693 1.00 0.00 O ATOM 1392 CB GLU A 91 6.200 18.093 -8.546 1.00 0.00 C ATOM 1393 CG GLU A 91 6.845 18.938 -9.632 1.00 0.00 C ATOM 1394 CD GLU A 91 6.429 20.395 -9.562 1.00 0.00 C ATOM 1395 OE1 GLU A 91 5.210 20.663 -9.511 1.00 0.00 O ATOM 1396 OE2 GLU A 91 7.323 21.267 -9.558 1.00 0.00 O ATOM 0 H GLU A 91 5.228 16.372 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 91 5.305 16.497 -9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.207 18.488 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 91 6.785 18.185 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.929 18.869 -9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.577 18.534 -10.608 1.00 0.00 H new ATOM 1403 N GLY A 92 8.278 15.638 -8.602 1.00 0.00 N ATOM 1404 CA GLY A 92 9.567 15.134 -9.036 1.00 0.00 C ATOM 1405 C GLY A 92 9.452 13.834 -9.808 1.00 0.00 C ATOM 1406 O GLY A 92 10.045 13.683 -10.875 1.00 0.00 O ATOM 0 H GLY A 92 8.119 15.597 -7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.054 15.882 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.205 14.981 -8.166 1.00 0.00 H new ATOM 1410 N GLY A 93 8.686 12.892 -9.266 1.00 0.00 N ATOM 1411 CA GLY A 93 8.510 11.610 -9.923 1.00 0.00 C ATOM 1412 C GLY A 93 8.138 10.507 -8.952 1.00 0.00 C ATOM 1413 O GLY A 93 8.161 10.706 -7.738 1.00 0.00 O ATOM 0 H GLY A 93 8.184 12.994 -8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.733 11.698 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.431 11.340 -10.439 1.00 0.00 H new ATOM 1417 N GLU A 94 7.792 9.341 -9.488 1.00 0.00 N ATOM 1418 CA GLU A 94 7.410 8.203 -8.660 1.00 0.00 C ATOM 1419 C GLU A 94 8.637 7.564 -8.015 1.00 0.00 C ATOM 1420 O GLU A 94 9.682 7.421 -8.650 1.00 0.00 O ATOM 1421 CB GLU A 94 6.660 7.164 -9.496 1.00 0.00 C ATOM 1422 CG GLU A 94 5.202 7.515 -9.738 1.00 0.00 C ATOM 1423 CD GLU A 94 4.602 6.748 -10.901 1.00 0.00 C ATOM 1424 OE1 GLU A 94 5.138 5.673 -11.241 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.598 7.223 -11.471 1.00 0.00 O ATOM 0 H GLU A 94 7.768 9.160 -10.491 1.00 0.00 H new ATOM 0 HA GLU A 94 6.752 8.566 -7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.162 7.052 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.714 6.198 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.627 7.307 -8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.117 8.584 -9.930 1.00 0.00 H new ATOM 1432 N SER A 95 8.501 7.181 -6.749 1.00 0.00 N ATOM 1433 CA SER A 95 9.598 6.561 -6.016 1.00 0.00 C ATOM 1434 C SER A 95 9.693 5.073 -6.337 1.00 0.00 C ATOM 1435 O SER A 95 8.918 4.549 -7.135 1.00 0.00 O ATOM 1436 CB SER A 95 9.410 6.759 -4.511 1.00 0.00 C ATOM 1437 OG SER A 95 8.333 5.977 -4.025 1.00 0.00 O ATOM 0 H SER A 95 7.642 7.289 -6.210 1.00 0.00 H new ATOM 0 HA SER A 95 10.526 7.041 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.327 6.487 -3.988 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.223 7.812 -4.300 1.00 0.00 H new ATOM 0 HG SER A 95 7.823 6.495 -3.368 1.00 0.00 H new ATOM 1443 N GLU A 96 10.651 4.398 -5.708 1.00 0.00 N ATOM 1444 CA GLU A 96 10.849 2.970 -5.927 1.00 0.00 C ATOM 1445 C GLU A 96 9.667 2.169 -5.390 1.00 0.00 C ATOM 1446 O GLU A 96 8.808 2.703 -4.687 1.00 0.00 O ATOM 1447 CB GLU A 96 12.143 2.503 -5.257 1.00 0.00 C ATOM 1448 CG GLU A 96 13.396 3.107 -5.867 1.00 0.00 C ATOM 1449 CD GLU A 96 14.596 2.184 -5.769 1.00 0.00 C ATOM 1450 OE1 GLU A 96 14.488 1.023 -6.218 1.00 0.00 O ATOM 1451 OE2 GLU A 96 15.641 2.622 -5.245 1.00 0.00 O ATOM 0 H GLU A 96 11.301 4.817 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 96 10.923 2.800 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.106 2.757 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.205 1.417 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.208 3.343 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.623 4.047 -5.364 1.00 0.00 H new ATOM 1458 N PHE A 97 9.630 0.884 -5.725 1.00 0.00 N ATOM 1459 CA PHE A 97 8.553 0.008 -5.279 1.00 0.00 C ATOM 1460 C PHE A 97 8.829 -0.521 -3.874 1.00 0.00 C ATOM 1461 O PHE A 97 9.874 -1.120 -3.618 1.00 0.00 O ATOM 1462 CB PHE A 97 8.381 -1.162 -6.251 1.00 0.00 C ATOM 1463 CG PHE A 97 7.650 -0.792 -7.509 1.00 0.00 C ATOM 1464 CD1 PHE A 97 8.083 0.265 -8.293 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.528 -1.502 -7.908 1.00 0.00 C ATOM 1466 CE1 PHE A 97 7.412 0.607 -9.453 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.854 -1.164 -9.066 1.00 0.00 C ATOM 1468 CZ PHE A 97 6.296 -0.108 -9.839 1.00 0.00 C ATOM 0 H PHE A 97 10.334 0.426 -6.304 1.00 0.00 H new ATOM 0 HA PHE A 97 7.632 0.590 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.364 -1.554 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.841 -1.965 -5.749 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.955 0.829 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.177 -2.328 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.761 1.432 -10.056 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.982 -1.725 -9.367 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.769 0.158 -10.744 1.00 0.00 H new ATOM 1478 N SER A 98 7.885 -0.293 -2.966 1.00 0.00 N ATOM 1479 CA SER A 98 8.027 -0.742 -1.586 1.00 0.00 C ATOM 1480 C SER A 98 8.146 -2.261 -1.518 1.00 0.00 C ATOM 1481 O SER A 98 8.043 -2.949 -2.533 1.00 0.00 O ATOM 1482 CB SER A 98 6.834 -0.275 -0.750 1.00 0.00 C ATOM 1483 OG SER A 98 5.654 -0.971 -1.112 1.00 0.00 O ATOM 0 H SER A 98 7.014 0.200 -3.161 1.00 0.00 H new ATOM 0 HA SER A 98 8.939 -0.305 -1.180 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.043 -0.433 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.685 0.796 -0.889 1.00 0.00 H new ATOM 0 HG SER A 98 5.058 -1.029 -0.336 1.00 0.00 H new ATOM 1489 N ASN A 99 8.364 -2.778 -0.313 1.00 0.00 N ATOM 1490 CA ASN A 99 8.498 -4.217 -0.111 1.00 0.00 C ATOM 1491 C ASN A 99 7.141 -4.908 -0.206 1.00 0.00 C ATOM 1492 O ASN A 99 6.096 -4.269 -0.080 1.00 0.00 O ATOM 1493 CB ASN A 99 9.135 -4.504 1.249 1.00 0.00 C ATOM 1494 CG ASN A 99 8.107 -4.613 2.358 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.307 -3.567 2.528 1.00 0.00 O flip ATOM 1496 ND2 ASN A 99 8.033 -5.626 3.054 1.00 0.00 N flip ATOM 0 H ASN A 99 8.452 -2.223 0.538 1.00 0.00 H new ATOM 0 HA ASN A 99 9.142 -4.611 -0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.704 -5.432 1.192 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.843 -3.711 1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.668 -6.406 2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.336 -5.685 3.797 1.00 0.00 H new ATOM 1503 N VAL A 100 7.164 -6.218 -0.428 1.00 0.00 N ATOM 1504 CA VAL A 100 5.937 -6.997 -0.537 1.00 0.00 C ATOM 1505 C VAL A 100 5.484 -7.504 0.828 1.00 0.00 C ATOM 1506 O VAL A 100 6.190 -8.270 1.482 1.00 0.00 O ATOM 1507 CB VAL A 100 6.117 -8.198 -1.484 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.820 -8.984 -1.604 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.596 -7.732 -2.851 1.00 0.00 C ATOM 0 H VAL A 100 8.020 -6.762 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 100 5.176 -6.332 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 100 6.876 -8.858 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.967 -9.828 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.525 -9.351 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.038 -8.337 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.718 -8.594 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.862 -7.050 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.551 -7.218 -2.746 1.00 0.00 H new ATOM 1519 N MET A 101 4.301 -7.071 1.250 1.00 0.00 N ATOM 1520 CA MET A 101 3.752 -7.482 2.537 1.00 0.00 C ATOM 1521 C MET A 101 2.540 -8.388 2.347 1.00 0.00 C ATOM 1522 O MET A 101 1.578 -8.019 1.673 1.00 0.00 O ATOM 1523 CB MET A 101 3.362 -6.256 3.365 1.00 0.00 C ATOM 1524 CG MET A 101 4.525 -5.319 3.648 1.00 0.00 C ATOM 1525 SD MET A 101 5.693 -6.002 4.840 1.00 0.00 S ATOM 1526 CE MET A 101 4.953 -5.471 6.382 1.00 0.00 C ATOM 0 H MET A 101 3.704 -6.436 0.720 1.00 0.00 H new ATOM 0 HA MET A 101 4.521 -8.041 3.070 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.582 -5.705 2.839 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.935 -6.588 4.311 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.047 -5.103 2.716 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.140 -4.371 4.025 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.634 -4.795 6.899 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.015 -4.954 6.177 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.758 -6.340 7.010 1.00 0.00 H new ATOM 1536 N ILE A 102 2.593 -9.574 2.944 1.00 0.00 N ATOM 1537 CA ILE A 102 1.498 -10.531 2.840 1.00 0.00 C ATOM 1538 C ILE A 102 0.532 -10.391 4.012 1.00 0.00 C ATOM 1539 O ILE A 102 0.774 -10.922 5.096 1.00 0.00 O ATOM 1540 CB ILE A 102 2.020 -11.979 2.790 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.873 -12.194 1.539 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.859 -12.962 2.821 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.588 -13.527 1.516 1.00 0.00 C ATOM 0 H ILE A 102 3.382 -9.895 3.505 1.00 0.00 H new ATOM 0 HA ILE A 102 0.972 -10.310 1.911 1.00 0.00 H new ATOM 0 HB ILE A 102 2.643 -12.155 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.236 -12.117 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.610 -11.394 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.244 -13.981 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.288 -12.822 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.212 -12.788 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.173 -13.610 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.251 -13.599 2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.856 -14.333 1.553 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.563 -9.674 3.785 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.567 -9.465 4.822 1.00 0.00 C ATOM 1557 C CYS A 103 -2.828 -10.272 4.529 1.00 0.00 C ATOM 1558 O CYS A 103 -3.606 -9.925 3.641 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.913 -7.979 4.933 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.810 -7.541 6.441 1.00 0.00 S ATOM 0 H CYS A 103 -0.778 -9.228 2.893 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.151 -9.806 5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.992 -7.398 4.889 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.513 -7.691 4.070 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.870 -6.247 6.550 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.021 -11.351 5.281 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.186 -12.209 5.099 1.00 0.00 C ATOM 1568 C GLU A 104 -5.432 -11.571 5.706 1.00 0.00 C ATOM 1569 O GLU A 104 -5.438 -11.180 6.874 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.941 -13.580 5.734 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.813 -14.682 5.156 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.090 -15.790 6.154 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.207 -15.488 7.359 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -5.192 -16.960 5.728 1.00 0.00 O ATOM 0 H GLU A 104 -2.387 -11.651 6.021 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.349 -12.336 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.893 -13.850 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.120 -13.511 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.758 -14.255 4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.325 -15.103 4.277 1.00 0.00 H new ATOM 1581 N THR A 105 -6.487 -11.467 4.904 1.00 0.00 N ATOM 1582 CA THR A 105 -7.738 -10.875 5.360 1.00 0.00 C ATOM 1583 C THR A 105 -8.437 -11.777 6.371 1.00 0.00 C ATOM 1584 O THR A 105 -7.996 -12.897 6.629 1.00 0.00 O ATOM 1585 CB THR A 105 -8.694 -10.606 4.183 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.739 -11.746 3.318 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.251 -9.383 3.395 1.00 0.00 C ATOM 0 H THR A 105 -6.500 -11.785 3.935 1.00 0.00 H new ATOM 0 HA THR A 105 -7.484 -9.928 5.836 1.00 0.00 H new ATOM 0 HB THR A 105 -9.689 -10.418 4.587 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.176 -11.501 2.476 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.941 -9.213 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.246 -8.511 4.049 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.248 -9.547 3.002 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.530 -11.282 6.943 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.292 -12.043 7.925 1.00 0.00 C ATOM 1597 C LYS A 106 -11.167 -13.089 7.243 1.00 0.00 C ATOM 1598 O LYS A 106 -11.641 -12.883 6.126 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.161 -11.104 8.765 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.367 -10.050 9.516 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.968 -10.533 10.901 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.691 -9.859 11.379 1.00 0.00 C ATOM 1603 NZ LYS A 106 -8.050 -10.612 12.492 1.00 0.00 N ATOM 0 H LYS A 106 -9.908 -10.356 6.743 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.586 -12.556 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.881 -10.609 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.733 -11.695 9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.473 -9.793 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.961 -9.140 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.774 -10.328 11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.826 -11.614 10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.992 -9.775 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.917 -8.845 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.183 -10.121 12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.708 -10.671 13.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.811 -11.571 12.170 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.380 -14.211 7.923 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.202 -15.287 7.383 1.00 0.00 C ATOM 1619 C ALA A 107 -13.674 -14.890 7.350 1.00 0.00 C ATOM 1620 O ALA A 107 -14.253 -14.530 8.375 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.014 -16.556 8.202 1.00 0.00 C ATOM 0 H ALA A 107 -10.995 -14.398 8.849 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.881 -15.477 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.634 -17.351 7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.967 -16.858 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.307 -16.369 9.235 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.274 -14.958 6.166 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.678 -14.603 6.000 1.00 0.00 C ATOM 1629 C ARG A 108 -16.577 -15.563 6.775 1.00 0.00 C ATOM 1630 O ARG A 108 -17.242 -16.416 6.189 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.058 -14.617 4.518 1.00 0.00 C ATOM 1632 CG ARG A 108 -15.632 -15.883 3.792 1.00 0.00 C ATOM 1633 CD ARG A 108 -16.489 -16.134 2.561 1.00 0.00 C ATOM 1634 NE ARG A 108 -17.720 -16.849 2.888 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.748 -18.106 3.316 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -16.619 -18.783 3.470 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -18.908 -18.688 3.593 1.00 0.00 N ATOM 0 H ARG A 108 -13.810 -15.256 5.308 1.00 0.00 H new ATOM 0 HA ARG A 108 -15.822 -13.598 6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.138 -14.502 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.604 -13.756 4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.586 -15.800 3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -15.707 -16.734 4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -16.736 -15.182 2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -15.918 -16.710 1.833 1.00 0.00 H new ATOM 0 HE ARG A 108 -18.607 -16.356 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -15.725 -18.339 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -16.644 -19.748 3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -19.779 -18.170 3.477 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -18.929 -19.653 3.922 1.00 0.00 H new