USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 892 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 NoAdj-H: B 219 HIS HD1 : B 219 HIS ND1 : B 301 ZNZN :(H bumps) USER MOD Set 1.1: A 25 ASN : amide:sc= -0.463 K(o=-0.49,f=-1.8) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -165:sc= -0.03 (180deg=0.285) USER MOD Set 2.1: A 7 THR OG1 : rot 135:sc= 0.702 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.94 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00236 X(o=-0.0024,f=-0.29) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -111:sc= 0.0695 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -0.855 (180deg=-2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.00291 USER MOD Single : A 20 SER OG : rot -40:sc= 0.428 USER MOD Single : A 22 THR OG1 : rot 36:sc= -0.119 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0.0111 (180deg=-1.14!) USER MOD Single : A 31 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.58) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0.484 (180deg=0.484) USER MOD Single : A 40 GLN : amide:sc= 0.0599 X(o=0.06,f=-0.016) USER MOD Single : A 41 GLN : amide:sc= -6.48! C(o=-6.5!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.523 K(o=0.52,f=-4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00766 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -75:sc= 0.292 USER MOD Single : A 60 ASN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.39 (180deg=1.31) USER MOD Single : A 65 SER OG : rot 85:sc= 0.438 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=-0.005) USER MOD Single : B 196 SER OG : rot 180:sc= 0 USER MOD Single : B 198 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 200 THR OG1 : rot 180:sc= 0 USER MOD Single : B 201 LYS NZ :NH3+ 178:sc= 0.388 (180deg=0.382) USER MOD Single : B 210 ASN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : B 214 SER OG : rot 180:sc= 0.64 USER MOD Single : B 215 HIS : no HD1:sc= -0.0555 X(o=-0.056,f=0) USER MOD Single : B 217 ASN : amide:sc= 0.357 K(o=0.36,f=-1.5) USER MOD Single : B 218 LYS NZ :NH3+ 169:sc=-0.00715 (180deg=-0.132) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 1.099 2.225 -5.965 1.00 0.00 N ATOM 2 CA GLY A -2 1.208 3.482 -5.192 1.00 0.00 C ATOM 3 C GLY A -2 2.554 3.630 -4.519 1.00 0.00 C ATOM 4 O GLY A -2 3.303 2.654 -4.401 1.00 0.00 O ATOM 0 H1 GLY A -2 1.070 2.444 -6.981 1.00 0.00 H new ATOM 0 H2 GLY A -2 1.922 1.622 -5.764 1.00 0.00 H new ATOM 0 H3 GLY A -2 0.229 1.725 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A -2 1.042 4.330 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A -2 0.422 3.510 -4.437 1.00 0.00 H new ATOM 10 N SER A -1 2.855 4.859 -4.074 1.00 0.00 N ATOM 11 CA SER A -1 4.116 5.199 -3.400 1.00 0.00 C ATOM 12 C SER A -1 3.843 6.185 -2.253 1.00 0.00 C ATOM 13 O SER A -1 2.937 7.029 -2.340 1.00 0.00 O ATOM 14 CB SER A -1 5.120 5.811 -4.405 1.00 0.00 C ATOM 15 OG SER A -1 5.432 4.895 -5.451 1.00 0.00 O ATOM 0 H SER A -1 2.223 5.653 -4.173 1.00 0.00 H new ATOM 0 HA SER A -1 4.553 4.288 -2.991 1.00 0.00 H new ATOM 0 HB2 SER A -1 4.701 6.723 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A -1 6.034 6.094 -3.882 1.00 0.00 H new ATOM 0 HG SER A -1 6.067 5.310 -6.071 1.00 0.00 H new ATOM 21 N HIS A 0 4.636 6.059 -1.179 1.00 0.00 N ATOM 22 CA HIS A 0 4.588 6.969 -0.029 1.00 0.00 C ATOM 23 C HIS A 0 5.398 8.233 -0.362 1.00 0.00 C ATOM 24 O HIS A 0 6.624 8.172 -0.477 1.00 0.00 O ATOM 25 CB HIS A 0 5.167 6.273 1.228 1.00 0.00 C ATOM 26 CG HIS A 0 4.381 5.078 1.702 1.00 0.00 C ATOM 27 ND1 HIS A 0 3.564 5.102 2.814 1.00 0.00 N ATOM 28 CD2 HIS A 0 4.306 3.816 1.216 1.00 0.00 C ATOM 29 CE1 HIS A 0 3.027 3.910 2.983 1.00 0.00 C ATOM 30 NE2 HIS A 0 3.459 3.117 2.029 1.00 0.00 N ATOM 0 H HIS A 0 5.331 5.319 -1.085 1.00 0.00 H new ATOM 0 HA HIS A 0 3.554 7.243 0.180 1.00 0.00 H new ATOM 0 HB2 HIS A 0 6.188 5.958 1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 0 5.220 7.001 2.038 1.00 0.00 H new ATOM 0 HD2 HIS A 0 4.820 3.433 0.347 1.00 0.00 H new ATOM 0 HE1 HIS A 0 2.346 3.632 3.774 1.00 0.00 H new ATOM 0 HE2 HIS A 0 3.203 2.136 1.914 1.00 0.00 H new ATOM 39 N MET A 1 4.694 9.356 -0.554 1.00 0.00 N ATOM 40 CA MET A 1 5.312 10.665 -0.844 1.00 0.00 C ATOM 41 C MET A 1 5.939 11.254 0.430 1.00 0.00 C ATOM 42 O MET A 1 5.631 10.828 1.544 1.00 0.00 O ATOM 43 CB MET A 1 4.255 11.648 -1.417 1.00 0.00 C ATOM 44 CG MET A 1 3.526 11.147 -2.668 1.00 0.00 C ATOM 45 SD MET A 1 4.641 10.846 -4.059 1.00 0.00 S ATOM 46 CE MET A 1 3.489 10.292 -5.317 1.00 0.00 C ATOM 0 H MET A 1 3.675 9.387 -0.513 1.00 0.00 H new ATOM 0 HA MET A 1 6.095 10.518 -1.588 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.517 11.858 -0.643 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.747 12.592 -1.653 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.995 10.226 -2.428 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.775 11.880 -2.963 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.033 10.068 -6.235 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.976 9.395 -4.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.757 11.076 -5.511 1.00 0.00 H new ATOM 56 N GLN A 2 6.818 12.241 0.262 1.00 0.00 N ATOM 57 CA GLN A 2 7.495 12.899 1.388 1.00 0.00 C ATOM 58 C GLN A 2 6.937 14.297 1.627 1.00 0.00 C ATOM 59 O GLN A 2 6.538 14.982 0.691 1.00 0.00 O ATOM 60 CB GLN A 2 9.037 12.933 1.206 1.00 0.00 C ATOM 61 CG GLN A 2 9.745 11.583 1.484 1.00 0.00 C ATOM 62 CD GLN A 2 9.703 10.594 0.323 1.00 0.00 C ATOM 63 OE1 GLN A 2 8.802 9.766 0.220 1.00 0.00 O ATOM 64 NE2 GLN A 2 10.683 10.680 -0.556 1.00 0.00 N ATOM 0 H GLN A 2 7.083 12.608 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 2 7.292 12.299 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.263 13.245 0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.452 13.691 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.786 11.779 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.285 11.119 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.414 11.381 -0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.709 10.046 -1.354 1.00 0.00 H new ATOM 73 N ILE A 3 6.886 14.673 2.919 1.00 0.00 N ATOM 74 CA ILE A 3 6.482 16.013 3.397 1.00 0.00 C ATOM 75 C ILE A 3 7.431 16.448 4.525 1.00 0.00 C ATOM 76 O ILE A 3 8.067 15.604 5.179 1.00 0.00 O ATOM 77 CB ILE A 3 4.977 16.099 3.917 1.00 0.00 C ATOM 78 CG1 ILE A 3 4.638 14.996 4.991 1.00 0.00 C ATOM 79 CG2 ILE A 3 3.971 16.067 2.739 1.00 0.00 C ATOM 80 CD1 ILE A 3 4.452 13.581 4.445 1.00 0.00 C ATOM 0 H ILE A 3 7.130 14.039 3.680 1.00 0.00 H new ATOM 0 HA ILE A 3 6.544 16.678 2.536 1.00 0.00 H new ATOM 0 HB ILE A 3 4.878 17.061 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.437 14.978 5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.726 15.289 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.954 16.127 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.158 16.913 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.092 15.138 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.223 12.902 5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.632 13.573 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.369 13.258 3.952 1.00 0.00 H new ATOM 92 N PHE A 4 7.511 17.769 4.745 1.00 0.00 N ATOM 93 CA PHE A 4 8.429 18.375 5.721 1.00 0.00 C ATOM 94 C PHE A 4 7.635 18.956 6.899 1.00 0.00 C ATOM 95 O PHE A 4 7.037 20.023 6.793 1.00 0.00 O ATOM 96 CB PHE A 4 9.288 19.472 5.037 1.00 0.00 C ATOM 97 CG PHE A 4 10.107 18.961 3.851 1.00 0.00 C ATOM 98 CD1 PHE A 4 11.203 18.120 4.057 1.00 0.00 C ATOM 99 CD2 PHE A 4 9.777 19.302 2.541 1.00 0.00 C ATOM 100 CE1 PHE A 4 11.943 17.647 2.993 1.00 0.00 C ATOM 101 CE2 PHE A 4 10.518 18.827 1.479 1.00 0.00 C ATOM 102 CZ PHE A 4 11.602 18.001 1.705 1.00 0.00 C ATOM 0 H PHE A 4 6.937 18.450 4.248 1.00 0.00 H new ATOM 0 HA PHE A 4 9.100 17.607 6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.633 20.274 4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.964 19.904 5.775 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.475 17.836 5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.930 19.946 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.789 17.000 3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.250 19.101 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.183 17.632 0.872 1.00 0.00 H new ATOM 112 N VAL A 5 7.612 18.224 8.011 1.00 0.00 N ATOM 113 CA VAL A 5 6.997 18.676 9.264 1.00 0.00 C ATOM 114 C VAL A 5 8.125 19.231 10.132 1.00 0.00 C ATOM 115 O VAL A 5 8.953 18.479 10.605 1.00 0.00 O ATOM 116 CB VAL A 5 6.244 17.499 9.987 1.00 0.00 C ATOM 117 CG1 VAL A 5 5.722 17.924 11.371 1.00 0.00 C ATOM 118 CG2 VAL A 5 5.076 16.976 9.114 1.00 0.00 C ATOM 0 H VAL A 5 8.022 17.292 8.071 1.00 0.00 H new ATOM 0 HA VAL A 5 6.246 19.442 9.072 1.00 0.00 H new ATOM 0 HB VAL A 5 6.964 16.694 10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.208 17.085 11.839 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.560 18.232 11.997 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.028 18.757 11.258 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.569 16.163 9.633 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.369 17.785 8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.467 16.612 8.164 1.00 0.00 H new ATOM 128 N LYS A 6 8.187 20.553 10.273 1.00 0.00 N ATOM 129 CA LYS A 6 9.311 21.243 10.914 1.00 0.00 C ATOM 130 C LYS A 6 8.902 21.767 12.295 1.00 0.00 C ATOM 131 O LYS A 6 7.887 22.461 12.414 1.00 0.00 O ATOM 132 CB LYS A 6 9.761 22.405 10.003 1.00 0.00 C ATOM 133 CG LYS A 6 11.119 23.014 10.382 1.00 0.00 C ATOM 134 CD LYS A 6 11.633 24.009 9.326 1.00 0.00 C ATOM 135 CE LYS A 6 13.075 24.436 9.608 1.00 0.00 C ATOM 136 NZ LYS A 6 13.579 25.365 8.571 1.00 0.00 N ATOM 0 H LYS A 6 7.455 21.183 9.944 1.00 0.00 H new ATOM 0 HA LYS A 6 10.138 20.547 11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.811 22.047 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.004 23.188 10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.031 23.522 11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.849 22.215 10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.575 23.553 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.989 24.888 9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.129 24.916 10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.715 23.555 9.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.559 25.634 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.550 24.897 7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.983 26.217 8.548 1.00 0.00 H new ATOM 150 N THR A 7 9.712 21.453 13.323 1.00 0.00 N ATOM 151 CA THR A 7 9.449 21.871 14.701 1.00 0.00 C ATOM 152 C THR A 7 9.692 23.372 14.898 1.00 0.00 C ATOM 153 O THR A 7 10.337 24.034 14.074 1.00 0.00 O ATOM 154 CB THR A 7 10.333 21.085 15.723 1.00 0.00 C ATOM 155 OG1 THR A 7 11.720 21.277 15.409 1.00 0.00 O ATOM 156 CG2 THR A 7 10.013 19.590 15.738 1.00 0.00 C ATOM 0 H THR A 7 10.564 20.903 13.216 1.00 0.00 H new ATOM 0 HA THR A 7 8.398 21.649 14.886 1.00 0.00 H new ATOM 0 HB THR A 7 10.112 21.478 16.716 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.218 21.471 16.231 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.653 19.088 16.464 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.969 19.444 16.014 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.189 19.170 14.748 1.00 0.00 H new ATOM 164 N LEU A 8 9.184 23.877 16.028 1.00 0.00 N ATOM 165 CA LEU A 8 9.439 25.245 16.496 1.00 0.00 C ATOM 166 C LEU A 8 10.921 25.425 16.893 1.00 0.00 C ATOM 167 O LEU A 8 11.455 26.534 16.817 1.00 0.00 O ATOM 168 CB LEU A 8 8.513 25.551 17.691 1.00 0.00 C ATOM 169 CG LEU A 8 6.988 25.356 17.437 1.00 0.00 C ATOM 170 CD1 LEU A 8 6.175 25.592 18.724 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.494 26.250 16.277 1.00 0.00 C ATOM 0 H LEU A 8 8.578 23.342 16.650 1.00 0.00 H new ATOM 0 HA LEU A 8 9.229 25.945 15.687 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.807 24.915 18.526 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.681 26.582 18.001 1.00 0.00 H new ATOM 0 HG LEU A 8 6.829 24.320 17.137 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.115 25.449 18.516 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.493 24.885 19.490 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.341 26.609 19.078 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.426 26.091 16.124 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.674 27.297 16.522 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.033 25.994 15.365 1.00 0.00 H new ATOM 183 N THR A 9 11.579 24.307 17.275 1.00 0.00 N ATOM 184 CA THR A 9 13.020 24.283 17.595 1.00 0.00 C ATOM 185 C THR A 9 13.864 24.278 16.299 1.00 0.00 C ATOM 186 O THR A 9 15.071 24.521 16.335 1.00 0.00 O ATOM 187 CB THR A 9 13.370 23.050 18.493 1.00 0.00 C ATOM 188 OG1 THR A 9 12.875 21.847 17.884 1.00 0.00 O ATOM 189 CG2 THR A 9 12.767 23.181 19.904 1.00 0.00 C ATOM 0 H THR A 9 11.125 23.399 17.369 1.00 0.00 H new ATOM 0 HA THR A 9 13.261 25.186 18.156 1.00 0.00 H new ATOM 0 HB THR A 9 14.455 23.010 18.585 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.098 21.078 18.449 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.033 22.305 20.496 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.159 24.077 20.385 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.682 23.254 19.831 1.00 0.00 H new ATOM 197 N GLY A 10 13.199 23.999 15.158 1.00 0.00 N ATOM 198 CA GLY A 10 13.755 24.259 13.832 1.00 0.00 C ATOM 199 C GLY A 10 14.385 23.060 13.160 1.00 0.00 C ATOM 200 O GLY A 10 15.118 23.226 12.171 1.00 0.00 O ATOM 0 H GLY A 10 12.265 23.589 15.140 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.962 24.642 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.505 25.046 13.916 1.00 0.00 H new ATOM 204 N LYS A 11 14.117 21.855 13.681 1.00 0.00 N ATOM 205 CA LYS A 11 14.531 20.608 13.017 1.00 0.00 C ATOM 206 C LYS A 11 13.457 20.261 11.975 1.00 0.00 C ATOM 207 O LYS A 11 12.284 20.611 12.151 1.00 0.00 O ATOM 208 CB LYS A 11 14.718 19.428 14.027 1.00 0.00 C ATOM 209 CG LYS A 11 13.433 18.624 14.333 1.00 0.00 C ATOM 210 CD LYS A 11 13.638 17.365 15.208 1.00 0.00 C ATOM 211 CE LYS A 11 14.163 16.140 14.424 1.00 0.00 C ATOM 212 NZ LYS A 11 15.509 16.343 13.839 1.00 0.00 N ATOM 0 H LYS A 11 13.616 21.716 14.559 1.00 0.00 H new ATOM 0 HA LYS A 11 15.502 20.758 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.470 18.746 13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.110 19.828 14.962 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.722 19.282 14.832 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.979 18.321 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.339 17.600 16.008 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.691 17.104 15.680 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.192 15.278 15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.461 15.902 13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.994 15.427 13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.417 16.771 12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.063 16.974 14.453 1.00 0.00 H new ATOM 226 N THR A 12 13.845 19.573 10.909 1.00 0.00 N ATOM 227 CA THR A 12 12.903 19.126 9.879 1.00 0.00 C ATOM 228 C THR A 12 12.711 17.607 9.990 1.00 0.00 C ATOM 229 O THR A 12 13.685 16.852 10.111 1.00 0.00 O ATOM 230 CB THR A 12 13.421 19.499 8.467 1.00 0.00 C ATOM 231 OG1 THR A 12 13.740 20.901 8.428 1.00 0.00 O ATOM 232 CG2 THR A 12 12.391 19.178 7.358 1.00 0.00 C ATOM 0 H THR A 12 14.814 19.308 10.730 1.00 0.00 H new ATOM 0 HA THR A 12 11.946 19.625 10.032 1.00 0.00 H new ATOM 0 HB THR A 12 14.310 18.898 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.069 21.137 7.536 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.802 19.458 6.388 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.170 18.111 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.474 19.739 7.539 1.00 0.00 H new ATOM 240 N ILE A 13 11.447 17.186 9.978 1.00 0.00 N ATOM 241 CA ILE A 13 11.049 15.776 10.003 1.00 0.00 C ATOM 242 C ILE A 13 10.462 15.416 8.628 1.00 0.00 C ATOM 243 O ILE A 13 9.426 15.950 8.239 1.00 0.00 O ATOM 244 CB ILE A 13 10.010 15.474 11.159 1.00 0.00 C ATOM 245 CG1 ILE A 13 10.583 15.851 12.572 1.00 0.00 C ATOM 246 CG2 ILE A 13 9.578 13.999 11.142 1.00 0.00 C ATOM 247 CD1 ILE A 13 10.403 17.303 12.975 1.00 0.00 C ATOM 0 H ILE A 13 10.654 17.827 9.950 1.00 0.00 H new ATOM 0 HA ILE A 13 11.925 15.162 10.210 1.00 0.00 H new ATOM 0 HB ILE A 13 9.136 16.098 10.972 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.104 15.220 13.321 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.647 15.615 12.590 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.864 13.820 11.946 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.111 13.768 10.185 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.451 13.362 11.283 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.831 17.462 13.965 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.908 17.946 12.254 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.341 17.546 12.996 1.00 0.00 H new ATOM 259 N THR A 14 11.166 14.557 7.879 1.00 0.00 N ATOM 260 CA THR A 14 10.714 14.066 6.568 1.00 0.00 C ATOM 261 C THR A 14 9.932 12.750 6.755 1.00 0.00 C ATOM 262 O THR A 14 10.496 11.754 7.225 1.00 0.00 O ATOM 263 CB THR A 14 11.934 13.842 5.612 1.00 0.00 C ATOM 264 OG1 THR A 14 12.668 15.072 5.490 1.00 0.00 O ATOM 265 CG2 THR A 14 11.507 13.357 4.205 1.00 0.00 C ATOM 0 H THR A 14 12.070 14.181 8.166 1.00 0.00 H new ATOM 0 HA THR A 14 10.061 14.812 6.115 1.00 0.00 H new ATOM 0 HB THR A 14 12.555 13.060 6.049 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.297 15.603 4.754 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.392 13.218 3.584 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.973 12.411 4.293 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.855 14.100 3.746 1.00 0.00 H new ATOM 273 N LEU A 15 8.628 12.765 6.412 1.00 0.00 N ATOM 274 CA LEU A 15 7.729 11.590 6.544 1.00 0.00 C ATOM 275 C LEU A 15 7.479 10.990 5.178 1.00 0.00 C ATOM 276 O LEU A 15 7.578 11.683 4.176 1.00 0.00 O ATOM 277 CB LEU A 15 6.351 11.953 7.178 1.00 0.00 C ATOM 278 CG LEU A 15 6.390 12.674 8.550 1.00 0.00 C ATOM 279 CD1 LEU A 15 7.338 11.967 9.522 1.00 0.00 C ATOM 280 CD2 LEU A 15 6.755 14.155 8.398 1.00 0.00 C ATOM 0 H LEU A 15 8.164 13.591 6.035 1.00 0.00 H new ATOM 0 HA LEU A 15 8.230 10.882 7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.808 12.585 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.775 11.035 7.291 1.00 0.00 H new ATOM 0 HG LEU A 15 5.386 12.627 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.343 12.496 10.475 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.001 10.942 9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.345 11.958 9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.773 14.628 9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.738 14.242 7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.014 14.650 7.770 1.00 0.00 H new ATOM 292 N GLU A 16 7.107 9.707 5.171 1.00 0.00 N ATOM 293 CA GLU A 16 6.815 8.945 3.956 1.00 0.00 C ATOM 294 C GLU A 16 5.373 8.408 4.052 1.00 0.00 C ATOM 295 O GLU A 16 5.137 7.296 4.557 1.00 0.00 O ATOM 296 CB GLU A 16 7.845 7.794 3.807 1.00 0.00 C ATOM 297 CG GLU A 16 9.315 8.260 3.780 1.00 0.00 C ATOM 298 CD GLU A 16 10.306 7.115 4.004 1.00 0.00 C ATOM 299 OE1 GLU A 16 10.508 6.719 5.176 1.00 0.00 O ATOM 300 OE2 GLU A 16 10.879 6.598 3.027 1.00 0.00 O ATOM 0 H GLU A 16 6.999 9.160 6.025 1.00 0.00 H new ATOM 0 HA GLU A 16 6.895 9.577 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.713 7.094 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.632 7.248 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.524 8.732 2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.465 9.019 4.548 1.00 0.00 H new ATOM 307 N VAL A 17 4.408 9.236 3.619 1.00 0.00 N ATOM 308 CA VAL A 17 2.962 8.898 3.594 1.00 0.00 C ATOM 309 C VAL A 17 2.353 9.470 2.301 1.00 0.00 C ATOM 310 O VAL A 17 3.027 10.160 1.544 1.00 0.00 O ATOM 311 CB VAL A 17 2.160 9.481 4.838 1.00 0.00 C ATOM 312 CG1 VAL A 17 2.789 9.085 6.195 1.00 0.00 C ATOM 313 CG2 VAL A 17 1.997 11.012 4.732 1.00 0.00 C ATOM 0 H VAL A 17 4.606 10.174 3.270 1.00 0.00 H new ATOM 0 HA VAL A 17 2.879 7.812 3.640 1.00 0.00 H new ATOM 0 HB VAL A 17 1.170 9.026 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.200 9.511 7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.802 7.999 6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.809 9.466 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.445 11.380 5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.980 11.481 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.450 11.258 3.821 1.00 0.00 H new ATOM 323 N GLU A 18 1.070 9.213 2.057 1.00 0.00 N ATOM 324 CA GLU A 18 0.359 9.841 0.928 1.00 0.00 C ATOM 325 C GLU A 18 -0.330 11.132 1.412 1.00 0.00 C ATOM 326 O GLU A 18 -0.710 11.220 2.590 1.00 0.00 O ATOM 327 CB GLU A 18 -0.671 8.854 0.324 1.00 0.00 C ATOM 328 CG GLU A 18 -0.116 7.434 0.143 1.00 0.00 C ATOM 329 CD GLU A 18 -0.967 6.549 -0.782 1.00 0.00 C ATOM 330 OE1 GLU A 18 -0.894 6.726 -2.017 1.00 0.00 O ATOM 331 OE2 GLU A 18 -1.692 5.663 -0.285 1.00 0.00 O ATOM 0 H GLU A 18 0.498 8.580 2.617 1.00 0.00 H new ATOM 0 HA GLU A 18 1.073 10.097 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.548 8.814 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.004 9.233 -0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.895 7.498 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.041 6.956 1.120 1.00 0.00 H new ATOM 338 N PRO A 19 -0.477 12.176 0.533 1.00 0.00 N ATOM 339 CA PRO A 19 -1.319 13.352 0.841 1.00 0.00 C ATOM 340 C PRO A 19 -2.784 12.948 1.124 1.00 0.00 C ATOM 341 O PRO A 19 -3.463 13.589 1.916 1.00 0.00 O ATOM 342 CB PRO A 19 -1.183 14.263 -0.416 1.00 0.00 C ATOM 343 CG PRO A 19 -0.648 13.358 -1.487 1.00 0.00 C ATOM 344 CD PRO A 19 0.203 12.328 -0.780 1.00 0.00 C ATOM 0 HA PRO A 19 -1.002 13.867 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.145 14.689 -0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.507 15.098 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.460 12.882 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.059 13.919 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.236 11.387 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.233 12.666 -0.664 1.00 0.00 H new ATOM 352 N SER A 20 -3.238 11.829 0.522 1.00 0.00 N ATOM 353 CA SER A 20 -4.621 11.335 0.684 1.00 0.00 C ATOM 354 C SER A 20 -4.674 10.156 1.681 1.00 0.00 C ATOM 355 O SER A 20 -5.688 9.451 1.756 1.00 0.00 O ATOM 356 CB SER A 20 -5.187 10.924 -0.697 1.00 0.00 C ATOM 357 OG SER A 20 -6.580 10.619 -0.649 1.00 0.00 O ATOM 0 H SER A 20 -2.661 11.247 -0.085 1.00 0.00 H new ATOM 0 HA SER A 20 -5.238 12.134 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.020 11.732 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.641 10.056 -1.066 1.00 0.00 H new ATOM 0 HG SER A 20 -6.777 10.119 0.171 1.00 0.00 H new ATOM 363 N ASP A 21 -3.598 9.974 2.482 1.00 0.00 N ATOM 364 CA ASP A 21 -3.527 8.874 3.462 1.00 0.00 C ATOM 365 C ASP A 21 -4.377 9.249 4.706 1.00 0.00 C ATOM 366 O ASP A 21 -5.589 9.012 4.702 1.00 0.00 O ATOM 367 CB ASP A 21 -2.043 8.543 3.814 1.00 0.00 C ATOM 368 CG ASP A 21 -1.863 7.177 4.495 1.00 0.00 C ATOM 369 OD1 ASP A 21 -2.119 7.067 5.702 1.00 0.00 O ATOM 370 OD2 ASP A 21 -1.458 6.207 3.812 1.00 0.00 O ATOM 0 H ASP A 21 -2.773 10.574 2.466 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.945 7.962 3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.448 8.566 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.651 9.321 4.469 1.00 0.00 H new ATOM 375 N THR A 22 -3.743 9.874 5.730 1.00 0.00 N ATOM 376 CA THR A 22 -4.420 10.415 6.930 1.00 0.00 C ATOM 377 C THR A 22 -3.386 11.077 7.859 1.00 0.00 C ATOM 378 O THR A 22 -2.247 10.610 7.954 1.00 0.00 O ATOM 379 CB THR A 22 -5.261 9.344 7.739 1.00 0.00 C ATOM 380 OG1 THR A 22 -5.753 9.907 8.965 1.00 0.00 O ATOM 381 CG2 THR A 22 -4.468 8.071 8.065 1.00 0.00 C ATOM 0 H THR A 22 -2.733 10.017 5.743 1.00 0.00 H new ATOM 0 HA THR A 22 -5.138 11.150 6.566 1.00 0.00 H new ATOM 0 HB THR A 22 -6.088 9.064 7.087 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.991 10.847 8.821 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.102 7.379 8.620 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.140 7.599 7.139 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.598 8.329 8.669 1.00 0.00 H new ATOM 389 N ILE A 23 -3.809 12.163 8.540 1.00 0.00 N ATOM 390 CA ILE A 23 -2.973 12.937 9.484 1.00 0.00 C ATOM 391 C ILE A 23 -2.511 12.064 10.673 1.00 0.00 C ATOM 392 O ILE A 23 -1.380 12.202 11.151 1.00 0.00 O ATOM 393 CB ILE A 23 -3.752 14.189 10.044 1.00 0.00 C ATOM 394 CG1 ILE A 23 -4.181 15.163 8.895 1.00 0.00 C ATOM 395 CG2 ILE A 23 -2.940 14.944 11.135 1.00 0.00 C ATOM 396 CD1 ILE A 23 -3.033 15.772 8.109 1.00 0.00 C ATOM 0 H ILE A 23 -4.755 12.533 8.448 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.100 13.275 8.926 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.657 13.807 10.516 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.829 14.623 8.204 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.775 15.969 9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.516 15.798 11.491 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.736 14.271 11.968 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.998 15.292 10.712 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.430 16.431 7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.395 16.345 8.782 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.449 14.978 7.643 1.00 0.00 H new ATOM 408 N GLU A 24 -3.414 11.178 11.135 1.00 0.00 N ATOM 409 CA GLU A 24 -3.144 10.248 12.255 1.00 0.00 C ATOM 410 C GLU A 24 -1.929 9.342 11.937 1.00 0.00 C ATOM 411 O GLU A 24 -1.118 9.014 12.819 1.00 0.00 O ATOM 412 CB GLU A 24 -4.407 9.399 12.540 1.00 0.00 C ATOM 413 CG GLU A 24 -4.339 8.533 13.815 1.00 0.00 C ATOM 414 CD GLU A 24 -5.630 7.737 14.060 1.00 0.00 C ATOM 415 OE1 GLU A 24 -5.823 6.694 13.404 1.00 0.00 O ATOM 416 OE2 GLU A 24 -6.462 8.157 14.891 1.00 0.00 O ATOM 0 H GLU A 24 -4.352 11.085 10.744 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.899 10.827 13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.265 10.067 12.618 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.588 8.747 11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.500 7.842 13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.143 9.174 14.675 1.00 0.00 H new ATOM 423 N ASN A 25 -1.805 8.981 10.649 1.00 0.00 N ATOM 424 CA ASN A 25 -0.684 8.174 10.143 1.00 0.00 C ATOM 425 C ASN A 25 0.595 9.006 10.108 1.00 0.00 C ATOM 426 O ASN A 25 1.653 8.536 10.523 1.00 0.00 O ATOM 427 CB ASN A 25 -0.998 7.658 8.731 1.00 0.00 C ATOM 428 CG ASN A 25 -0.013 6.602 8.234 1.00 0.00 C ATOM 429 OD1 ASN A 25 0.938 6.895 7.519 1.00 0.00 O ATOM 430 ND2 ASN A 25 -0.194 5.382 8.683 1.00 0.00 N ATOM 0 H ASN A 25 -2.480 9.241 9.930 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.540 7.326 10.813 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.004 7.238 8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.997 8.499 8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.468 4.645 8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.996 5.171 9.277 1.00 0.00 H new ATOM 437 N VAL A 26 0.461 10.248 9.600 1.00 0.00 N ATOM 438 CA VAL A 26 1.582 11.213 9.478 1.00 0.00 C ATOM 439 C VAL A 26 2.270 11.401 10.839 1.00 0.00 C ATOM 440 O VAL A 26 3.481 11.249 10.948 1.00 0.00 O ATOM 441 CB VAL A 26 1.118 12.629 8.937 1.00 0.00 C ATOM 442 CG1 VAL A 26 2.318 13.597 8.729 1.00 0.00 C ATOM 443 CG2 VAL A 26 0.302 12.488 7.640 1.00 0.00 C ATOM 0 H VAL A 26 -0.428 10.615 9.261 1.00 0.00 H new ATOM 0 HA VAL A 26 2.277 10.790 8.753 1.00 0.00 H new ATOM 0 HB VAL A 26 0.476 13.066 9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.953 14.555 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.832 13.748 9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.011 13.167 8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.003 13.475 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.913 12.007 6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.583 11.882 7.831 1.00 0.00 H new ATOM 453 N LYS A 27 1.460 11.673 11.879 1.00 0.00 N ATOM 454 CA LYS A 27 1.962 11.972 13.234 1.00 0.00 C ATOM 455 C LYS A 27 2.594 10.732 13.897 1.00 0.00 C ATOM 456 O LYS A 27 3.535 10.864 14.689 1.00 0.00 O ATOM 457 CB LYS A 27 0.848 12.577 14.118 1.00 0.00 C ATOM 458 CG LYS A 27 -0.321 11.646 14.479 1.00 0.00 C ATOM 459 CD LYS A 27 -1.420 12.383 15.276 1.00 0.00 C ATOM 460 CE LYS A 27 -2.074 13.521 14.474 1.00 0.00 C ATOM 461 NZ LYS A 27 -3.009 14.321 15.307 1.00 0.00 N ATOM 0 H LYS A 27 0.443 11.692 11.805 1.00 0.00 H new ATOM 0 HA LYS A 27 2.751 12.718 13.132 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.301 12.931 15.044 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.443 13.451 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.750 11.232 13.567 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.052 10.806 15.066 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.187 11.668 15.576 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.989 12.790 16.190 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.299 14.173 14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.613 13.103 13.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.778 14.688 14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.408 13.720 16.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.496 15.116 15.738 1.00 0.00 H new ATOM 475 N ALA A 28 2.079 9.533 13.560 1.00 0.00 N ATOM 476 CA ALA A 28 2.713 8.261 13.956 1.00 0.00 C ATOM 477 C ALA A 28 4.156 8.183 13.421 1.00 0.00 C ATOM 478 O ALA A 28 5.069 7.732 14.119 1.00 0.00 O ATOM 479 CB ALA A 28 1.876 7.079 13.445 1.00 0.00 C ATOM 0 H ALA A 28 1.225 9.420 13.014 1.00 0.00 H new ATOM 0 HA ALA A 28 2.757 8.213 15.044 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.350 6.143 13.741 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.875 7.130 13.873 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.809 7.124 12.358 1.00 0.00 H new ATOM 485 N LYS A 29 4.339 8.667 12.178 1.00 0.00 N ATOM 486 CA LYS A 29 5.650 8.711 11.522 1.00 0.00 C ATOM 487 C LYS A 29 6.589 9.741 12.197 1.00 0.00 C ATOM 488 O LYS A 29 7.770 9.469 12.291 1.00 0.00 O ATOM 489 CB LYS A 29 5.510 9.003 10.000 1.00 0.00 C ATOM 490 CG LYS A 29 4.522 8.091 9.260 1.00 0.00 C ATOM 491 CD LYS A 29 4.885 6.594 9.345 1.00 0.00 C ATOM 492 CE LYS A 29 3.704 5.695 8.957 1.00 0.00 C ATOM 493 NZ LYS A 29 2.571 5.836 9.911 1.00 0.00 N ATOM 0 H LYS A 29 3.581 9.037 11.605 1.00 0.00 H new ATOM 0 HA LYS A 29 6.102 7.726 11.636 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.195 10.038 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.491 8.907 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.524 8.239 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.481 8.388 8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.729 6.388 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.205 6.355 10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.368 5.949 7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.031 4.655 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.904 5.049 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.934 5.820 10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.082 6.737 9.738 1.00 0.00 H new ATOM 507 N ILE A 30 6.070 10.917 12.671 1.00 0.00 N ATOM 508 CA ILE A 30 6.913 11.899 13.422 1.00 0.00 C ATOM 509 C ILE A 30 7.507 11.233 14.693 1.00 0.00 C ATOM 510 O ILE A 30 8.693 11.407 15.002 1.00 0.00 O ATOM 511 CB ILE A 30 6.159 13.257 13.806 1.00 0.00 C ATOM 512 CG1 ILE A 30 5.958 14.220 12.574 1.00 0.00 C ATOM 513 CG2 ILE A 30 6.895 14.028 14.931 1.00 0.00 C ATOM 514 CD1 ILE A 30 4.761 13.935 11.702 1.00 0.00 C ATOM 0 H ILE A 30 5.098 11.201 12.550 1.00 0.00 H new ATOM 0 HA ILE A 30 7.712 12.189 12.740 1.00 0.00 H new ATOM 0 HB ILE A 30 5.177 12.945 14.161 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.877 15.241 12.946 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.853 14.176 11.954 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.350 14.943 15.161 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.950 13.404 15.823 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.903 14.279 14.601 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.723 14.659 10.888 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.842 12.929 11.290 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.851 14.011 12.297 1.00 0.00 H new ATOM 526 N GLN A 31 6.673 10.437 15.390 1.00 0.00 N ATOM 527 CA GLN A 31 7.116 9.648 16.564 1.00 0.00 C ATOM 528 C GLN A 31 8.180 8.608 16.162 1.00 0.00 C ATOM 529 O GLN A 31 9.084 8.299 16.934 1.00 0.00 O ATOM 530 CB GLN A 31 5.907 8.942 17.240 1.00 0.00 C ATOM 531 CG GLN A 31 6.278 8.124 18.505 1.00 0.00 C ATOM 532 CD GLN A 31 5.098 7.424 19.190 1.00 0.00 C ATOM 533 OE1 GLN A 31 5.097 7.247 20.408 1.00 0.00 O ATOM 534 NE2 GLN A 31 4.100 6.999 18.429 1.00 0.00 N ATOM 0 H GLN A 31 5.686 10.321 15.162 1.00 0.00 H new ATOM 0 HA GLN A 31 7.563 10.338 17.279 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.166 9.694 17.511 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.436 8.277 16.516 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.018 7.372 18.230 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.754 8.791 19.224 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.123 7.158 17.422 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.308 6.513 18.851 1.00 0.00 H new ATOM 543 N ASP A 32 8.055 8.088 14.942 1.00 0.00 N ATOM 544 CA ASP A 32 8.998 7.105 14.382 1.00 0.00 C ATOM 545 C ASP A 32 10.329 7.782 13.948 1.00 0.00 C ATOM 546 O ASP A 32 11.383 7.135 13.946 1.00 0.00 O ATOM 547 CB ASP A 32 8.317 6.379 13.193 1.00 0.00 C ATOM 548 CG ASP A 32 9.131 5.202 12.635 1.00 0.00 C ATOM 549 OD1 ASP A 32 8.977 4.070 13.135 1.00 0.00 O ATOM 550 OD2 ASP A 32 9.929 5.404 11.699 1.00 0.00 O ATOM 0 H ASP A 32 7.296 8.334 14.307 1.00 0.00 H new ATOM 0 HA ASP A 32 9.255 6.374 15.149 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.341 6.014 13.513 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.141 7.098 12.393 1.00 0.00 H new ATOM 555 N LYS A 33 10.279 9.097 13.616 1.00 0.00 N ATOM 556 CA LYS A 33 11.446 9.835 13.067 1.00 0.00 C ATOM 557 C LYS A 33 12.221 10.555 14.192 1.00 0.00 C ATOM 558 O LYS A 33 13.370 10.197 14.482 1.00 0.00 O ATOM 559 CB LYS A 33 11.012 10.866 11.990 1.00 0.00 C ATOM 560 CG LYS A 33 10.276 10.291 10.759 1.00 0.00 C ATOM 561 CD LYS A 33 11.144 9.417 9.831 1.00 0.00 C ATOM 562 CE LYS A 33 10.334 8.865 8.639 1.00 0.00 C ATOM 563 NZ LYS A 33 11.183 8.083 7.705 1.00 0.00 N ATOM 0 H LYS A 33 9.441 9.669 13.719 1.00 0.00 H new ATOM 0 HA LYS A 33 12.099 9.100 12.598 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.365 11.605 12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.900 11.395 11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.429 9.698 11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.869 11.119 10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.983 10.005 9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.563 8.588 10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.527 8.234 9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.870 9.692 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.601 7.730 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.938 8.692 7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.606 7.278 8.211 1.00 0.00 H new ATOM 577 N GLU A 34 11.584 11.573 14.833 1.00 0.00 N ATOM 578 CA GLU A 34 12.244 12.385 15.883 1.00 0.00 C ATOM 579 C GLU A 34 12.065 11.771 17.289 1.00 0.00 C ATOM 580 O GLU A 34 12.758 12.172 18.226 1.00 0.00 O ATOM 581 CB GLU A 34 11.773 13.870 15.868 1.00 0.00 C ATOM 582 CG GLU A 34 10.326 14.144 16.333 1.00 0.00 C ATOM 583 CD GLU A 34 10.031 15.654 16.525 1.00 0.00 C ATOM 584 OE1 GLU A 34 10.750 16.313 17.315 1.00 0.00 O ATOM 585 OE2 GLU A 34 9.108 16.188 15.889 1.00 0.00 O ATOM 0 H GLU A 34 10.621 11.846 14.640 1.00 0.00 H new ATOM 0 HA GLU A 34 13.308 12.375 15.646 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.448 14.447 16.499 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.882 14.251 14.853 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.630 13.733 15.601 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.146 13.621 17.272 1.00 0.00 H new ATOM 592 N GLY A 35 11.109 10.834 17.437 1.00 0.00 N ATOM 593 CA GLY A 35 10.977 10.033 18.663 1.00 0.00 C ATOM 594 C GLY A 35 10.112 10.677 19.730 1.00 0.00 C ATOM 595 O GLY A 35 10.219 10.326 20.914 1.00 0.00 O ATOM 0 H GLY A 35 10.417 10.615 16.720 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.556 9.061 18.406 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.970 9.852 19.075 1.00 0.00 H new ATOM 599 N ILE A 36 9.254 11.633 19.325 1.00 0.00 N ATOM 600 CA ILE A 36 8.309 12.305 20.246 1.00 0.00 C ATOM 601 C ILE A 36 6.875 11.764 19.984 1.00 0.00 C ATOM 602 O ILE A 36 6.433 11.766 18.833 1.00 0.00 O ATOM 603 CB ILE A 36 8.357 13.897 20.124 1.00 0.00 C ATOM 604 CG1 ILE A 36 9.666 14.496 20.760 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.119 14.551 20.792 1.00 0.00 C ATOM 606 CD1 ILE A 36 10.958 14.245 20.009 1.00 0.00 C ATOM 0 H ILE A 36 9.194 11.961 18.361 1.00 0.00 H new ATOM 0 HA ILE A 36 8.609 12.075 21.268 1.00 0.00 H new ATOM 0 HB ILE A 36 8.353 14.124 19.058 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.534 15.573 20.862 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.772 14.092 21.767 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.182 15.635 20.692 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.212 14.193 20.305 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.093 14.285 21.849 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.787 14.706 20.546 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.130 13.172 19.929 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.888 14.676 19.010 1.00 0.00 H new ATOM 618 N PRO A 37 6.132 11.287 21.049 1.00 0.00 N ATOM 619 CA PRO A 37 4.779 10.667 20.893 1.00 0.00 C ATOM 620 C PRO A 37 3.720 11.655 20.331 1.00 0.00 C ATOM 621 O PRO A 37 3.833 12.852 20.585 1.00 0.00 O ATOM 622 CB PRO A 37 4.430 10.204 22.340 1.00 0.00 C ATOM 623 CG PRO A 37 5.247 11.089 23.225 1.00 0.00 C ATOM 624 CD PRO A 37 6.546 11.319 22.484 1.00 0.00 C ATOM 0 HA PRO A 37 4.781 9.853 20.168 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.365 10.312 22.545 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.679 9.154 22.491 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.734 12.031 23.418 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.425 10.619 24.192 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.998 12.274 22.751 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.280 10.545 22.709 1.00 0.00 H new ATOM 632 N PRO A 38 2.654 11.152 19.601 1.00 0.00 N ATOM 633 CA PRO A 38 1.630 12.006 18.917 1.00 0.00 C ATOM 634 C PRO A 38 0.819 12.892 19.873 1.00 0.00 C ATOM 635 O PRO A 38 0.164 13.848 19.444 1.00 0.00 O ATOM 636 CB PRO A 38 0.721 10.973 18.192 1.00 0.00 C ATOM 637 CG PRO A 38 0.901 9.713 18.979 1.00 0.00 C ATOM 638 CD PRO A 38 2.354 9.711 19.391 1.00 0.00 C ATOM 0 HA PRO A 38 2.100 12.725 18.246 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.321 11.294 18.186 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.020 10.840 17.152 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.244 9.694 19.849 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.660 8.836 18.379 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.513 9.131 20.300 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.990 9.276 18.620 1.00 0.00 H new ATOM 646 N ASP A 39 0.865 12.543 21.161 1.00 0.00 N ATOM 647 CA ASP A 39 0.233 13.324 22.227 1.00 0.00 C ATOM 648 C ASP A 39 1.057 14.603 22.499 1.00 0.00 C ATOM 649 O ASP A 39 0.497 15.676 22.715 1.00 0.00 O ATOM 650 CB ASP A 39 0.107 12.448 23.502 1.00 0.00 C ATOM 651 CG ASP A 39 -0.612 13.148 24.671 1.00 0.00 C ATOM 652 OD1 ASP A 39 -1.822 13.426 24.555 1.00 0.00 O ATOM 653 OD2 ASP A 39 0.026 13.430 25.705 1.00 0.00 O ATOM 0 H ASP A 39 1.344 11.707 21.495 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.768 13.630 21.921 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.432 11.534 23.252 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.104 12.151 23.827 1.00 0.00 H new ATOM 658 N GLN A 40 2.393 14.467 22.426 1.00 0.00 N ATOM 659 CA GLN A 40 3.361 15.535 22.772 1.00 0.00 C ATOM 660 C GLN A 40 3.698 16.422 21.565 1.00 0.00 C ATOM 661 O GLN A 40 3.981 17.606 21.725 1.00 0.00 O ATOM 662 CB GLN A 40 4.650 14.901 23.392 1.00 0.00 C ATOM 663 CG GLN A 40 4.639 14.735 24.928 1.00 0.00 C ATOM 664 CD GLN A 40 3.286 14.323 25.504 1.00 0.00 C ATOM 665 OE1 GLN A 40 2.476 15.180 25.860 1.00 0.00 O ATOM 666 NE2 GLN A 40 3.028 13.031 25.596 1.00 0.00 N ATOM 0 H GLN A 40 2.841 13.603 22.122 1.00 0.00 H new ATOM 0 HA GLN A 40 2.897 16.186 23.513 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.805 13.922 22.940 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.505 15.518 23.117 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.382 13.988 25.207 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.945 15.676 25.386 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.723 12.349 25.291 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.134 12.715 25.972 1.00 0.00 H new ATOM 675 N GLN A 41 3.692 15.844 20.366 1.00 0.00 N ATOM 676 CA GLN A 41 3.929 16.594 19.121 1.00 0.00 C ATOM 677 C GLN A 41 2.586 16.903 18.439 1.00 0.00 C ATOM 678 O GLN A 41 1.752 16.013 18.254 1.00 0.00 O ATOM 679 CB GLN A 41 4.932 15.833 18.213 1.00 0.00 C ATOM 680 CG GLN A 41 4.619 14.351 17.895 1.00 0.00 C ATOM 681 CD GLN A 41 3.827 14.105 16.616 1.00 0.00 C ATOM 682 OE1 GLN A 41 3.772 14.937 15.727 1.00 0.00 O ATOM 683 NE2 GLN A 41 3.330 12.909 16.464 1.00 0.00 N ATOM 0 H GLN A 41 3.524 14.848 20.223 1.00 0.00 H new ATOM 0 HA GLN A 41 4.396 17.554 19.341 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.008 16.372 17.269 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.914 15.877 18.684 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.560 13.806 17.829 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.064 13.928 18.732 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.389 12.232 17.224 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.882 12.651 15.585 1.00 0.00 H new ATOM 692 N ARG A 42 2.386 18.185 18.094 1.00 0.00 N ATOM 693 CA ARG A 42 1.095 18.736 17.659 1.00 0.00 C ATOM 694 C ARG A 42 1.222 19.237 16.215 1.00 0.00 C ATOM 695 O ARG A 42 2.126 20.026 15.901 1.00 0.00 O ATOM 696 CB ARG A 42 0.703 19.895 18.621 1.00 0.00 C ATOM 697 CG ARG A 42 -0.786 20.306 18.612 1.00 0.00 C ATOM 698 CD ARG A 42 -1.075 21.370 19.688 1.00 0.00 C ATOM 699 NE ARG A 42 -2.511 21.676 19.841 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.044 22.359 20.874 1.00 0.00 C ATOM 701 NH1 ARG A 42 -2.268 22.817 21.854 1.00 0.00 N ATOM 702 NH2 ARG A 42 -4.357 22.566 20.934 1.00 0.00 N ATOM 0 H ARG A 42 3.132 18.880 18.110 1.00 0.00 H new ATOM 0 HA ARG A 42 0.317 17.973 17.689 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.974 19.606 19.636 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.303 20.769 18.368 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.053 20.696 17.630 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.409 19.429 18.787 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.681 21.025 20.644 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.541 22.286 19.435 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.145 21.347 19.113 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.262 22.652 21.827 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.680 23.333 22.632 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.964 22.207 20.197 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.756 23.083 21.717 1.00 0.00 H new ATOM 716 N LEU A 43 0.295 18.801 15.355 1.00 0.00 N ATOM 717 CA LEU A 43 0.355 19.044 13.903 1.00 0.00 C ATOM 718 C LEU A 43 -0.431 20.302 13.555 1.00 0.00 C ATOM 719 O LEU A 43 -1.594 20.421 13.933 1.00 0.00 O ATOM 720 CB LEU A 43 -0.202 17.811 13.119 1.00 0.00 C ATOM 721 CG LEU A 43 0.811 16.663 12.835 1.00 0.00 C ATOM 722 CD1 LEU A 43 1.967 17.172 11.944 1.00 0.00 C ATOM 723 CD2 LEU A 43 1.329 16.041 14.146 1.00 0.00 C ATOM 0 H LEU A 43 -0.524 18.266 15.645 1.00 0.00 H new ATOM 0 HA LEU A 43 1.395 19.190 13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.040 17.398 13.681 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.599 18.161 12.166 1.00 0.00 H new ATOM 0 HG LEU A 43 0.294 15.873 12.290 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.666 16.358 11.755 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.565 17.532 10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.486 17.985 12.451 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.034 15.242 13.916 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.829 16.807 14.739 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.491 15.633 14.711 1.00 0.00 H new ATOM 735 N ILE A 44 0.235 21.250 12.867 1.00 0.00 N ATOM 736 CA ILE A 44 -0.358 22.531 12.439 1.00 0.00 C ATOM 737 C ILE A 44 0.165 22.917 11.046 1.00 0.00 C ATOM 738 O ILE A 44 1.367 22.840 10.790 1.00 0.00 O ATOM 739 CB ILE A 44 -0.054 23.685 13.486 1.00 0.00 C ATOM 740 CG1 ILE A 44 -0.768 23.377 14.845 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.454 25.095 12.954 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.382 24.263 15.992 1.00 0.00 C ATOM 0 H ILE A 44 1.211 21.146 12.590 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.439 22.404 12.389 1.00 0.00 H new ATOM 0 HB ILE A 44 1.024 23.708 13.644 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.845 23.454 14.695 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.558 22.343 15.120 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.225 25.847 13.709 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.105 25.312 12.044 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.522 25.112 12.737 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.933 23.965 16.884 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.688 24.171 16.179 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.620 25.298 15.748 1.00 0.00 H new ATOM 754 N PHE A 45 -0.752 23.335 10.160 1.00 0.00 N ATOM 755 CA PHE A 45 -0.432 23.895 8.838 1.00 0.00 C ATOM 756 C PHE A 45 -1.262 25.165 8.665 1.00 0.00 C ATOM 757 O PHE A 45 -2.463 25.139 8.920 1.00 0.00 O ATOM 758 CB PHE A 45 -0.751 22.871 7.718 1.00 0.00 C ATOM 759 CG PHE A 45 -0.492 23.349 6.278 1.00 0.00 C ATOM 760 CD1 PHE A 45 0.775 23.235 5.701 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.517 23.887 5.495 1.00 0.00 C ATOM 762 CE1 PHE A 45 1.010 23.642 4.400 1.00 0.00 C ATOM 763 CE2 PHE A 45 -1.281 24.290 4.194 1.00 0.00 C ATOM 764 CZ PHE A 45 -0.019 24.167 3.647 1.00 0.00 C ATOM 0 H PHE A 45 -1.754 23.293 10.345 1.00 0.00 H new ATOM 0 HA PHE A 45 0.631 24.125 8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.159 21.973 7.894 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.799 22.584 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.586 22.821 6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.508 23.989 5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.998 23.549 3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.086 24.702 3.604 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.162 24.482 2.630 1.00 0.00 H new ATOM 774 N ALA A 46 -0.603 26.270 8.281 1.00 0.00 N ATOM 775 CA ALA A 46 -1.263 27.554 7.947 1.00 0.00 C ATOM 776 C ALA A 46 -1.984 28.198 9.156 1.00 0.00 C ATOM 777 O ALA A 46 -2.850 29.065 8.980 1.00 0.00 O ATOM 778 CB ALA A 46 -2.222 27.370 6.757 1.00 0.00 C ATOM 0 H ALA A 46 0.412 26.303 8.191 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.476 28.252 7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.699 28.322 6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.662 27.022 5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.985 26.635 7.015 1.00 0.00 H new ATOM 784 N GLY A 47 -1.606 27.776 10.377 1.00 0.00 N ATOM 785 CA GLY A 47 -2.167 28.334 11.610 1.00 0.00 C ATOM 786 C GLY A 47 -3.412 27.603 12.123 1.00 0.00 C ATOM 787 O GLY A 47 -4.160 28.150 12.943 1.00 0.00 O ATOM 0 H GLY A 47 -0.910 27.046 10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.402 28.312 12.386 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.419 29.381 11.440 1.00 0.00 H new ATOM 791 N LYS A 48 -3.656 26.375 11.644 1.00 0.00 N ATOM 792 CA LYS A 48 -4.754 25.514 12.162 1.00 0.00 C ATOM 793 C LYS A 48 -4.214 24.119 12.492 1.00 0.00 C ATOM 794 O LYS A 48 -3.277 23.640 11.841 1.00 0.00 O ATOM 795 CB LYS A 48 -5.892 25.423 11.114 1.00 0.00 C ATOM 796 CG LYS A 48 -5.486 24.707 9.794 1.00 0.00 C ATOM 797 CD LYS A 48 -6.177 25.272 8.543 1.00 0.00 C ATOM 798 CE LYS A 48 -5.863 26.759 8.318 1.00 0.00 C ATOM 799 NZ LYS A 48 -6.554 27.290 7.121 1.00 0.00 N ATOM 0 H LYS A 48 -3.111 25.945 10.896 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.155 25.955 13.074 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.737 24.895 11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.235 26.430 10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.406 24.784 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.722 23.646 9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.862 24.701 7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.255 25.142 8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.164 27.331 9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.787 26.891 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.318 28.296 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.248 26.760 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.582 27.187 7.240 1.00 0.00 H new ATOM 813 N GLN A 49 -4.817 23.475 13.505 1.00 0.00 N ATOM 814 CA GLN A 49 -4.436 22.120 13.919 1.00 0.00 C ATOM 815 C GLN A 49 -4.951 21.098 12.892 1.00 0.00 C ATOM 816 O GLN A 49 -6.059 21.244 12.363 1.00 0.00 O ATOM 817 CB GLN A 49 -4.996 21.794 15.327 1.00 0.00 C ATOM 818 CG GLN A 49 -4.558 20.420 15.880 1.00 0.00 C ATOM 819 CD GLN A 49 -5.208 20.076 17.218 1.00 0.00 C ATOM 820 OE1 GLN A 49 -4.675 20.400 18.277 1.00 0.00 O ATOM 821 NE2 GLN A 49 -6.366 19.424 17.178 1.00 0.00 N ATOM 0 H GLN A 49 -5.576 23.878 14.054 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.348 22.065 13.966 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.677 22.571 16.022 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.085 21.828 15.289 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.807 19.647 15.153 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.474 20.411 15.997 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.778 19.172 16.280 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.842 19.176 18.045 1.00 0.00 H new ATOM 830 N LEU A 50 -4.132 20.079 12.605 1.00 0.00 N ATOM 831 CA LEU A 50 -4.480 19.021 11.665 1.00 0.00 C ATOM 832 C LEU A 50 -5.214 17.888 12.405 1.00 0.00 C ATOM 833 O LEU A 50 -4.650 17.272 13.317 1.00 0.00 O ATOM 834 CB LEU A 50 -3.218 18.487 10.958 1.00 0.00 C ATOM 835 CG LEU A 50 -2.260 19.547 10.328 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.150 18.860 9.518 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.024 20.587 9.482 1.00 0.00 C ATOM 0 H LEU A 50 -3.208 19.970 13.023 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.144 19.428 10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.648 17.900 11.678 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.534 17.804 10.169 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.791 20.096 11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.493 19.616 9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.572 18.208 10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.596 18.269 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.318 21.305 9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.551 20.081 8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.743 21.111 10.112 1.00 0.00 H new ATOM 849 N GLU A 51 -6.464 17.626 11.995 1.00 0.00 N ATOM 850 CA GLU A 51 -7.337 16.628 12.628 1.00 0.00 C ATOM 851 C GLU A 51 -6.937 15.215 12.172 1.00 0.00 C ATOM 852 O GLU A 51 -6.699 15.005 10.979 1.00 0.00 O ATOM 853 CB GLU A 51 -8.802 16.940 12.237 1.00 0.00 C ATOM 854 CG GLU A 51 -9.860 15.952 12.763 1.00 0.00 C ATOM 855 CD GLU A 51 -11.287 16.343 12.349 1.00 0.00 C ATOM 856 OE1 GLU A 51 -11.897 17.191 13.033 1.00 0.00 O ATOM 857 OE2 GLU A 51 -11.799 15.832 11.328 1.00 0.00 O ATOM 0 H GLU A 51 -6.901 18.106 11.208 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.235 16.670 13.712 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.051 17.937 12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.869 16.971 11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.637 14.953 12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.800 15.906 13.850 1.00 0.00 H new ATOM 864 N ASP A 52 -6.935 14.255 13.121 1.00 0.00 N ATOM 865 CA ASP A 52 -6.453 12.871 12.899 1.00 0.00 C ATOM 866 C ASP A 52 -7.234 12.173 11.774 1.00 0.00 C ATOM 867 O ASP A 52 -6.643 11.467 10.953 1.00 0.00 O ATOM 868 CB ASP A 52 -6.577 12.036 14.205 1.00 0.00 C ATOM 869 CG ASP A 52 -5.697 12.547 15.352 1.00 0.00 C ATOM 870 OD1 ASP A 52 -5.955 13.657 15.870 1.00 0.00 O ATOM 871 OD2 ASP A 52 -4.730 11.858 15.736 1.00 0.00 O ATOM 0 H ASP A 52 -7.270 14.418 14.071 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.406 12.937 12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.618 12.038 14.529 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.312 11.001 13.990 1.00 0.00 H new ATOM 876 N GLY A 53 -8.564 12.398 11.764 1.00 0.00 N ATOM 877 CA GLY A 53 -9.474 11.769 10.798 1.00 0.00 C ATOM 878 C GLY A 53 -9.329 12.302 9.371 1.00 0.00 C ATOM 879 O GLY A 53 -9.682 11.609 8.411 1.00 0.00 O ATOM 0 H GLY A 53 -9.031 13.019 12.425 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.296 10.694 10.793 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.501 11.921 11.129 1.00 0.00 H new ATOM 883 N ARG A 54 -8.816 13.540 9.236 1.00 0.00 N ATOM 884 CA ARG A 54 -8.599 14.198 7.923 1.00 0.00 C ATOM 885 C ARG A 54 -7.309 13.721 7.239 1.00 0.00 C ATOM 886 O ARG A 54 -6.563 12.906 7.786 1.00 0.00 O ATOM 887 CB ARG A 54 -8.572 15.735 8.103 1.00 0.00 C ATOM 888 CG ARG A 54 -9.910 16.311 8.593 1.00 0.00 C ATOM 889 CD ARG A 54 -9.886 17.833 8.715 1.00 0.00 C ATOM 890 NE ARG A 54 -11.156 18.386 9.213 1.00 0.00 N ATOM 891 CZ ARG A 54 -11.731 19.511 8.760 1.00 0.00 C ATOM 892 NH1 ARG A 54 -11.228 20.170 7.720 1.00 0.00 N ATOM 893 NH2 ARG A 54 -12.819 19.974 9.350 1.00 0.00 N ATOM 0 H ARG A 54 -8.539 14.116 10.031 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.429 13.919 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.789 15.997 8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.309 16.201 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.702 16.018 7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.155 15.877 9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.079 18.126 9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.663 18.267 7.740 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.634 17.877 9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.391 19.822 7.252 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.679 21.023 7.390 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.218 19.477 10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.259 20.829 9.009 1.00 0.00 H new ATOM 907 N THR A 55 -7.076 14.236 6.022 1.00 0.00 N ATOM 908 CA THR A 55 -5.866 13.953 5.231 1.00 0.00 C ATOM 909 C THR A 55 -5.026 15.229 5.092 1.00 0.00 C ATOM 910 O THR A 55 -5.501 16.333 5.403 1.00 0.00 O ATOM 911 CB THR A 55 -6.219 13.418 3.803 1.00 0.00 C ATOM 912 OG1 THR A 55 -6.995 14.395 3.086 1.00 0.00 O ATOM 913 CG2 THR A 55 -6.981 12.085 3.857 1.00 0.00 C ATOM 0 H THR A 55 -7.727 14.866 5.554 1.00 0.00 H new ATOM 0 HA THR A 55 -5.302 13.183 5.757 1.00 0.00 H new ATOM 0 HB THR A 55 -5.279 13.240 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.209 14.052 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.205 11.752 2.843 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.368 11.336 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.912 12.220 4.408 1.00 0.00 H new ATOM 921 N LEU A 56 -3.787 15.064 4.605 1.00 0.00 N ATOM 922 CA LEU A 56 -2.898 16.197 4.283 1.00 0.00 C ATOM 923 C LEU A 56 -3.571 17.086 3.218 1.00 0.00 C ATOM 924 O LEU A 56 -3.726 18.294 3.403 1.00 0.00 O ATOM 925 CB LEU A 56 -1.522 15.690 3.761 1.00 0.00 C ATOM 926 CG LEU A 56 -0.593 14.976 4.790 1.00 0.00 C ATOM 927 CD1 LEU A 56 0.636 14.353 4.085 1.00 0.00 C ATOM 928 CD2 LEU A 56 -0.145 15.945 5.915 1.00 0.00 C ATOM 0 H LEU A 56 -3.373 14.150 4.423 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.724 16.777 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.706 15.002 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.981 16.542 3.351 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.168 14.173 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.269 13.861 4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.301 13.622 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.205 15.137 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.501 15.416 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.401 16.782 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.022 16.320 6.443 1.00 0.00 H new ATOM 940 N SER A 57 -4.036 16.424 2.142 1.00 0.00 N ATOM 941 CA SER A 57 -4.660 17.055 0.971 1.00 0.00 C ATOM 942 C SER A 57 -5.921 17.851 1.368 1.00 0.00 C ATOM 943 O SER A 57 -6.282 18.825 0.694 1.00 0.00 O ATOM 944 CB SER A 57 -5.011 15.957 -0.063 1.00 0.00 C ATOM 945 OG SER A 57 -5.506 16.492 -1.284 1.00 0.00 O ATOM 0 H SER A 57 -3.985 15.408 2.064 1.00 0.00 H new ATOM 0 HA SER A 57 -3.957 17.762 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.123 15.358 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.757 15.286 0.364 1.00 0.00 H new ATOM 0 HG SER A 57 -5.711 15.760 -1.903 1.00 0.00 H new ATOM 951 N ASP A 58 -6.571 17.432 2.486 1.00 0.00 N ATOM 952 CA ASP A 58 -7.771 18.105 3.025 1.00 0.00 C ATOM 953 C ASP A 58 -7.413 19.524 3.487 1.00 0.00 C ATOM 954 O ASP A 58 -8.142 20.488 3.218 1.00 0.00 O ATOM 955 CB ASP A 58 -8.352 17.292 4.212 1.00 0.00 C ATOM 956 CG ASP A 58 -9.652 17.880 4.789 1.00 0.00 C ATOM 957 OD1 ASP A 58 -9.587 18.779 5.649 1.00 0.00 O ATOM 958 OD2 ASP A 58 -10.748 17.448 4.374 1.00 0.00 O ATOM 0 H ASP A 58 -6.276 16.623 3.032 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.523 18.166 2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.541 16.270 3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.605 17.239 5.004 1.00 0.00 H new ATOM 963 N TYR A 59 -6.259 19.631 4.172 1.00 0.00 N ATOM 964 CA TYR A 59 -5.737 20.900 4.694 1.00 0.00 C ATOM 965 C TYR A 59 -4.844 21.626 3.654 1.00 0.00 C ATOM 966 O TYR A 59 -4.056 22.495 4.032 1.00 0.00 O ATOM 967 CB TYR A 59 -4.942 20.645 5.998 1.00 0.00 C ATOM 968 CG TYR A 59 -5.812 20.448 7.234 1.00 0.00 C ATOM 969 CD1 TYR A 59 -6.460 21.538 7.827 1.00 0.00 C ATOM 970 CD2 TYR A 59 -5.974 19.196 7.822 1.00 0.00 C ATOM 971 CE1 TYR A 59 -7.233 21.385 8.957 1.00 0.00 C ATOM 972 CE2 TYR A 59 -6.741 19.044 8.949 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.369 20.141 9.517 1.00 0.00 C ATOM 974 OH TYR A 59 -8.136 19.984 10.648 1.00 0.00 O ATOM 0 H TYR A 59 -5.661 18.831 4.378 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.586 21.549 4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.318 19.762 5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.271 21.486 6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.352 22.519 7.389 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.490 18.335 7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.728 22.238 9.398 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.856 18.067 9.395 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.647 20.327 11.425 1.00 0.00 H new ATOM 984 N ASN A 60 -4.985 21.262 2.353 1.00 0.00 N ATOM 985 CA ASN A 60 -4.252 21.896 1.216 1.00 0.00 C ATOM 986 C ASN A 60 -2.740 21.552 1.244 1.00 0.00 C ATOM 987 O ASN A 60 -1.930 22.211 0.582 1.00 0.00 O ATOM 988 CB ASN A 60 -4.471 23.449 1.178 1.00 0.00 C ATOM 989 CG ASN A 60 -5.949 23.865 1.129 1.00 0.00 C ATOM 990 OD1 ASN A 60 -6.521 24.075 0.060 1.00 0.00 O ATOM 991 ND2 ASN A 60 -6.581 23.967 2.292 1.00 0.00 N ATOM 0 H ASN A 60 -5.614 20.515 2.057 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.670 21.479 0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.007 23.894 2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.959 23.858 0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.567 24.226 2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.080 23.787 3.162 1.00 0.00 H new ATOM 998 N ILE A 61 -2.380 20.484 1.982 1.00 0.00 N ATOM 999 CA ILE A 61 -0.985 20.014 2.117 1.00 0.00 C ATOM 1000 C ILE A 61 -0.715 18.961 1.030 1.00 0.00 C ATOM 1001 O ILE A 61 -1.371 17.909 0.993 1.00 0.00 O ATOM 1002 CB ILE A 61 -0.726 19.356 3.524 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -1.286 20.242 4.669 1.00 0.00 C ATOM 1004 CG2 ILE A 61 0.778 19.037 3.752 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -1.490 19.512 5.986 1.00 0.00 C ATOM 0 H ILE A 61 -3.051 19.920 2.504 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.324 20.874 2.013 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.262 18.407 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.604 21.077 4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.239 20.666 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.909 18.585 4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.123 18.344 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.358 19.958 3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.883 20.206 6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.196 18.694 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.537 19.112 6.332 1.00 0.00 H new ATOM 1017 N GLN A 62 0.220 19.259 0.140 1.00 0.00 N ATOM 1018 CA GLN A 62 0.695 18.301 -0.871 1.00 0.00 C ATOM 1019 C GLN A 62 2.057 17.744 -0.435 1.00 0.00 C ATOM 1020 O GLN A 62 2.577 18.098 0.638 1.00 0.00 O ATOM 1021 CB GLN A 62 0.809 18.983 -2.264 1.00 0.00 C ATOM 1022 CG GLN A 62 1.846 20.131 -2.343 1.00 0.00 C ATOM 1023 CD GLN A 62 2.215 20.528 -3.773 1.00 0.00 C ATOM 1024 OE1 GLN A 62 1.588 21.398 -4.378 1.00 0.00 O ATOM 1025 NE2 GLN A 62 3.242 19.892 -4.324 1.00 0.00 N ATOM 0 H GLN A 62 0.677 20.170 0.091 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.022 17.484 -0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.070 18.226 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.169 19.376 -2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.449 21.004 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.750 19.829 -1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.741 19.176 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.532 20.120 -5.275 1.00 0.00 H new ATOM 1034 N LYS A 63 2.639 16.882 -1.272 1.00 0.00 N ATOM 1035 CA LYS A 63 4.022 16.426 -1.093 1.00 0.00 C ATOM 1036 C LYS A 63 4.992 17.624 -1.179 1.00 0.00 C ATOM 1037 O LYS A 63 4.753 18.575 -1.938 1.00 0.00 O ATOM 1038 CB LYS A 63 4.389 15.351 -2.139 1.00 0.00 C ATOM 1039 CG LYS A 63 4.283 15.806 -3.616 1.00 0.00 C ATOM 1040 CD LYS A 63 4.722 14.700 -4.600 1.00 0.00 C ATOM 1041 CE LYS A 63 6.195 14.308 -4.413 1.00 0.00 C ATOM 1042 NZ LYS A 63 6.551 13.114 -5.213 1.00 0.00 N ATOM 0 H LYS A 63 2.171 16.483 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 63 4.111 15.975 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.409 15.017 -1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.739 14.488 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.255 16.095 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.901 16.691 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.093 13.821 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.566 15.043 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.833 15.143 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.388 14.110 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.561 12.900 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.983 12.302 -4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.359 13.300 -6.218 1.00 0.00 H new ATOM 1056 N GLU A 64 6.043 17.569 -0.340 1.00 0.00 N ATOM 1057 CA GLU A 64 7.105 18.586 -0.226 1.00 0.00 C ATOM 1058 C GLU A 64 6.617 19.858 0.504 1.00 0.00 C ATOM 1059 O GLU A 64 7.391 20.809 0.641 1.00 0.00 O ATOM 1060 CB GLU A 64 7.753 18.929 -1.609 1.00 0.00 C ATOM 1061 CG GLU A 64 8.287 17.710 -2.401 1.00 0.00 C ATOM 1062 CD GLU A 64 9.383 16.930 -1.655 1.00 0.00 C ATOM 1063 OE1 GLU A 64 10.544 17.388 -1.660 1.00 0.00 O ATOM 1064 OE2 GLU A 64 9.097 15.858 -1.067 1.00 0.00 O ATOM 0 H GLU A 64 6.181 16.787 0.300 1.00 0.00 H new ATOM 0 HA GLU A 64 7.888 18.142 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.014 19.446 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.575 19.626 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.458 17.037 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.682 18.052 -3.358 1.00 0.00 H new ATOM 1071 N SER A 65 5.348 19.872 1.000 1.00 0.00 N ATOM 1072 CA SER A 65 4.830 21.011 1.781 1.00 0.00 C ATOM 1073 C SER A 65 5.477 21.047 3.175 1.00 0.00 C ATOM 1074 O SER A 65 5.596 20.008 3.845 1.00 0.00 O ATOM 1075 CB SER A 65 3.296 20.945 1.922 1.00 0.00 C ATOM 1076 OG SER A 65 2.666 20.954 0.658 1.00 0.00 O ATOM 0 H SER A 65 4.679 19.113 0.870 1.00 0.00 H new ATOM 0 HA SER A 65 5.087 21.923 1.241 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.017 20.042 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.946 21.792 2.512 1.00 0.00 H new ATOM 0 HG SER A 65 2.628 20.041 0.305 1.00 0.00 H new ATOM 1082 N THR A 66 5.907 22.245 3.587 1.00 0.00 N ATOM 1083 CA THR A 66 6.457 22.482 4.917 1.00 0.00 C ATOM 1084 C THR A 66 5.341 22.996 5.845 1.00 0.00 C ATOM 1085 O THR A 66 4.639 23.960 5.522 1.00 0.00 O ATOM 1086 CB THR A 66 7.647 23.490 4.867 1.00 0.00 C ATOM 1087 OG1 THR A 66 8.641 23.012 3.941 1.00 0.00 O ATOM 1088 CG2 THR A 66 8.302 23.687 6.252 1.00 0.00 C ATOM 0 H THR A 66 5.881 23.079 3.000 1.00 0.00 H new ATOM 0 HA THR A 66 6.847 21.543 5.309 1.00 0.00 H new ATOM 0 HB THR A 66 7.249 24.452 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.388 23.645 3.907 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.125 24.397 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.562 24.072 6.953 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.682 22.732 6.614 1.00 0.00 H new ATOM 1096 N LEU A 67 5.175 22.317 6.979 1.00 0.00 N ATOM 1097 CA LEU A 67 4.214 22.671 8.025 1.00 0.00 C ATOM 1098 C LEU A 67 4.935 22.738 9.373 1.00 0.00 C ATOM 1099 O LEU A 67 6.126 22.436 9.464 1.00 0.00 O ATOM 1100 CB LEU A 67 3.017 21.676 8.075 1.00 0.00 C ATOM 1101 CG LEU A 67 3.350 20.147 8.158 1.00 0.00 C ATOM 1102 CD1 LEU A 67 2.204 19.361 8.827 1.00 0.00 C ATOM 1103 CD2 LEU A 67 3.661 19.547 6.759 1.00 0.00 C ATOM 0 H LEU A 67 5.719 21.484 7.202 1.00 0.00 H new ATOM 0 HA LEU A 67 3.794 23.650 7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.401 21.933 8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.406 21.840 7.187 1.00 0.00 H new ATOM 0 HG LEU A 67 4.245 20.052 8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.465 18.304 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.046 19.737 9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.290 19.486 8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.887 18.485 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.796 19.673 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.519 20.061 6.325 1.00 0.00 H new ATOM 1115 N HIS A 68 4.206 23.165 10.409 1.00 0.00 N ATOM 1116 CA HIS A 68 4.762 23.363 11.759 1.00 0.00 C ATOM 1117 C HIS A 68 4.437 22.186 12.681 1.00 0.00 C ATOM 1118 O HIS A 68 3.393 21.532 12.546 1.00 0.00 O ATOM 1119 CB HIS A 68 4.240 24.684 12.366 1.00 0.00 C ATOM 1120 CG HIS A 68 4.661 25.896 11.581 1.00 0.00 C ATOM 1121 ND1 HIS A 68 5.917 26.449 11.687 1.00 0.00 N ATOM 1122 CD2 HIS A 68 4.005 26.639 10.660 1.00 0.00 C ATOM 1123 CE1 HIS A 68 6.014 27.474 10.872 1.00 0.00 C ATOM 1124 NE2 HIS A 68 4.871 27.611 10.238 1.00 0.00 N ATOM 0 H HIS A 68 3.212 23.384 10.339 1.00 0.00 H new ATOM 0 HA HIS A 68 5.847 23.420 11.666 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.152 24.650 12.416 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.603 24.776 13.390 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.990 26.493 10.322 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.886 28.099 10.744 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.663 28.327 9.542 1.00 0.00 H new ATOM 1133 N LEU A 69 5.354 21.952 13.625 1.00 0.00 N ATOM 1134 CA LEU A 69 5.248 20.919 14.651 1.00 0.00 C ATOM 1135 C LEU A 69 5.524 21.591 15.995 1.00 0.00 C ATOM 1136 O LEU A 69 6.518 22.319 16.143 1.00 0.00 O ATOM 1137 CB LEU A 69 6.273 19.780 14.349 1.00 0.00 C ATOM 1138 CG LEU A 69 6.113 18.416 15.111 1.00 0.00 C ATOM 1139 CD1 LEU A 69 6.563 18.497 16.585 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.665 17.893 14.994 1.00 0.00 C ATOM 0 H LEU A 69 6.215 22.494 13.695 1.00 0.00 H new ATOM 0 HA LEU A 69 4.258 20.464 14.669 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.233 19.571 13.280 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.270 20.165 14.561 1.00 0.00 H new ATOM 0 HG LEU A 69 6.780 17.702 14.628 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.429 17.525 17.060 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.614 18.781 16.629 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.964 19.242 17.108 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.575 16.947 15.529 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.979 18.621 15.427 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.417 17.741 13.944 1.00 0.00 H new ATOM 1152 N VAL A 70 4.638 21.350 16.964 1.00 0.00 N ATOM 1153 CA VAL A 70 4.723 21.944 18.301 1.00 0.00 C ATOM 1154 C VAL A 70 4.985 20.858 19.344 1.00 0.00 C ATOM 1155 O VAL A 70 4.276 19.857 19.403 1.00 0.00 O ATOM 1156 CB VAL A 70 3.414 22.727 18.655 1.00 0.00 C ATOM 1157 CG1 VAL A 70 3.504 23.350 20.071 1.00 0.00 C ATOM 1158 CG2 VAL A 70 3.114 23.794 17.566 1.00 0.00 C ATOM 0 H VAL A 70 3.835 20.733 16.842 1.00 0.00 H new ATOM 0 HA VAL A 70 5.553 22.651 18.305 1.00 0.00 H new ATOM 0 HB VAL A 70 2.579 22.026 18.671 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.582 23.888 20.291 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.648 22.560 20.808 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.346 24.041 20.112 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.201 24.331 17.824 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.945 24.497 17.507 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.985 23.303 16.601 1.00 0.00 H new ATOM 1168 N LEU A 71 6.006 21.086 20.167 1.00 0.00 N ATOM 1169 CA LEU A 71 6.427 20.153 21.215 1.00 0.00 C ATOM 1170 C LEU A 71 5.689 20.446 22.538 1.00 0.00 C ATOM 1171 O LEU A 71 5.315 21.597 22.811 1.00 0.00 O ATOM 1172 CB LEU A 71 7.955 20.279 21.406 1.00 0.00 C ATOM 1173 CG LEU A 71 8.837 20.012 20.143 1.00 0.00 C ATOM 1174 CD1 LEU A 71 10.324 20.311 20.439 1.00 0.00 C ATOM 1175 CD2 LEU A 71 8.649 18.562 19.619 1.00 0.00 C ATOM 0 H LEU A 71 6.572 21.933 20.126 1.00 0.00 H new ATOM 0 HA LEU A 71 6.177 19.135 20.917 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.172 21.284 21.769 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.260 19.585 22.189 1.00 0.00 H new ATOM 0 HG LEU A 71 8.507 20.689 19.355 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.919 20.118 19.546 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.434 21.356 20.730 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.669 19.670 21.250 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.276 18.408 18.741 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.935 17.854 20.397 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.604 18.404 19.351 1.00 0.00 H new ATOM 1187 N ARG A 72 5.463 19.385 23.334 1.00 0.00 N ATOM 1188 CA ARG A 72 4.914 19.485 24.704 1.00 0.00 C ATOM 1189 C ARG A 72 5.933 18.919 25.701 1.00 0.00 C ATOM 1190 O ARG A 72 6.368 19.627 26.605 1.00 0.00 O ATOM 1191 CB ARG A 72 3.552 18.737 24.825 1.00 0.00 C ATOM 1192 CG ARG A 72 2.404 19.343 23.986 1.00 0.00 C ATOM 1193 CD ARG A 72 1.095 18.537 24.087 1.00 0.00 C ATOM 1194 NE ARG A 72 0.549 18.509 25.458 1.00 0.00 N ATOM 1195 CZ ARG A 72 -0.166 17.500 25.997 1.00 0.00 C ATOM 1196 NH1 ARG A 72 -0.360 16.359 25.344 1.00 0.00 N ATOM 1197 NH2 ARG A 72 -0.674 17.640 27.204 1.00 0.00 N ATOM 0 H ARG A 72 5.657 18.426 23.045 1.00 0.00 H new ATOM 0 HA ARG A 72 4.729 20.535 24.931 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.695 17.699 24.524 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.251 18.726 25.873 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.221 20.366 24.316 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.713 19.395 22.942 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.354 18.969 23.414 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.275 17.516 23.751 1.00 0.00 H new ATOM 0 HE ARG A 72 0.727 19.322 26.048 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.036 16.231 24.413 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.905 15.611 25.774 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.525 18.506 27.723 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.216 16.883 27.620 1.00 0.00 H new ATOM 1211 N LEU A 73 6.280 17.619 25.524 1.00 0.00 N ATOM 1212 CA LEU A 73 7.295 16.898 26.349 1.00 0.00 C ATOM 1213 C LEU A 73 6.976 17.010 27.864 1.00 0.00 C ATOM 1214 O LEU A 73 7.882 17.116 28.696 1.00 0.00 O ATOM 1215 CB LEU A 73 8.744 17.404 26.002 1.00 0.00 C ATOM 1216 CG LEU A 73 9.379 16.903 24.650 1.00 0.00 C ATOM 1217 CD1 LEU A 73 9.632 15.386 24.671 1.00 0.00 C ATOM 1218 CD2 LEU A 73 8.531 17.296 23.419 1.00 0.00 C ATOM 0 H LEU A 73 5.863 17.033 24.801 1.00 0.00 H new ATOM 0 HA LEU A 73 7.252 15.837 26.103 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.725 18.494 25.983 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.408 17.111 26.816 1.00 0.00 H new ATOM 0 HG LEU A 73 10.340 17.409 24.558 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.070 15.077 23.722 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.317 15.143 25.483 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.688 14.862 24.823 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.012 16.927 22.513 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.537 16.857 23.507 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.445 18.381 23.368 1.00 0.00 H new ATOM 1230 N ARG A 74 5.668 16.905 28.194 1.00 0.00 N ATOM 1231 CA ARG A 74 5.131 17.209 29.540 1.00 0.00 C ATOM 1232 C ARG A 74 5.698 16.272 30.625 1.00 0.00 C ATOM 1233 O ARG A 74 6.155 16.729 31.677 1.00 0.00 O ATOM 1234 CB ARG A 74 3.578 17.157 29.506 1.00 0.00 C ATOM 1235 CG ARG A 74 2.897 18.214 28.599 1.00 0.00 C ATOM 1236 CD ARG A 74 3.152 19.679 29.042 1.00 0.00 C ATOM 1237 NE ARG A 74 4.518 20.156 28.730 1.00 0.00 N ATOM 1238 CZ ARG A 74 5.064 21.307 29.168 1.00 0.00 C ATOM 1239 NH1 ARG A 74 4.404 22.097 30.001 1.00 0.00 N ATOM 1240 NH2 ARG A 74 6.277 21.664 28.756 1.00 0.00 N ATOM 0 H ARG A 74 4.953 16.606 27.531 1.00 0.00 H new ATOM 0 HA ARG A 74 5.451 18.216 29.810 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.272 16.165 29.173 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.205 17.281 30.523 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.254 18.086 27.577 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.823 18.030 28.587 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.427 20.330 28.554 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.982 19.761 30.116 1.00 0.00 H new ATOM 0 HE ARG A 74 5.095 19.563 28.133 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.470 21.837 30.319 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.829 22.966 30.325 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.792 21.067 28.109 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.692 22.535 29.087 1.00 0.00 H new ATOM 1254 N GLY A 75 5.644 14.966 30.358 1.00 0.00 N ATOM 1255 CA GLY A 75 6.292 13.954 31.204 1.00 0.00 C ATOM 1256 C GLY A 75 7.703 13.616 30.727 1.00 0.00 C ATOM 1257 O GLY A 75 8.509 13.081 31.494 1.00 0.00 O ATOM 0 H GLY A 75 5.152 14.578 29.553 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.335 14.316 32.231 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.686 13.048 31.211 1.00 0.00 H new ATOM 1261 N GLY A 76 7.994 13.939 29.447 1.00 0.00 N ATOM 1262 CA GLY A 76 9.272 13.604 28.809 1.00 0.00 C ATOM 1263 C GLY A 76 9.088 13.053 27.395 1.00 0.00 C ATOM 1264 O GLY A 76 8.068 13.324 26.741 1.00 0.00 O ATOM 0 H GLY A 76 7.348 14.437 28.835 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.901 14.494 28.771 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.798 12.868 29.418 1.00 0.00 H new TER 1268 GLY A 76 ATOM 1269 N GLY B 195 20.684 17.520 27.195 1.00 0.00 N ATOM 1270 CA GLY B 195 19.850 17.859 28.352 1.00 0.00 C ATOM 1271 C GLY B 195 19.091 16.662 28.928 1.00 0.00 C ATOM 1272 O GLY B 195 19.542 15.513 28.811 1.00 0.00 O ATOM 0 HA2 GLY B 195 20.480 18.289 29.131 1.00 0.00 H new ATOM 0 HA3 GLY B 195 19.134 18.628 28.061 1.00 0.00 H new ATOM 1276 N SER B 196 17.936 16.943 29.558 1.00 0.00 N ATOM 1277 CA SER B 196 17.048 15.920 30.143 1.00 0.00 C ATOM 1278 C SER B 196 15.672 16.541 30.426 1.00 0.00 C ATOM 1279 O SER B 196 14.631 15.937 30.130 1.00 0.00 O ATOM 1280 CB SER B 196 17.661 15.330 31.446 1.00 0.00 C ATOM 1281 OG SER B 196 16.821 14.353 32.037 1.00 0.00 O ATOM 0 H SER B 196 17.589 17.895 29.677 1.00 0.00 H new ATOM 0 HA SER B 196 16.934 15.102 29.431 1.00 0.00 H new ATOM 0 HB2 SER B 196 18.630 14.885 31.221 1.00 0.00 H new ATOM 0 HB3 SER B 196 17.838 16.135 32.160 1.00 0.00 H new ATOM 0 HG SER B 196 17.244 14.007 32.851 1.00 0.00 H new ATOM 1287 N ARG B 197 15.683 17.763 30.998 1.00 0.00 N ATOM 1288 CA ARG B 197 14.457 18.491 31.370 1.00 0.00 C ATOM 1289 C ARG B 197 14.694 20.008 31.260 1.00 0.00 C ATOM 1290 O ARG B 197 15.490 20.571 32.015 1.00 0.00 O ATOM 1291 CB ARG B 197 14.030 18.108 32.811 1.00 0.00 C ATOM 1292 CG ARG B 197 12.650 18.642 33.249 1.00 0.00 C ATOM 1293 CD ARG B 197 11.507 18.099 32.377 1.00 0.00 C ATOM 1294 NE ARG B 197 10.188 18.536 32.861 1.00 0.00 N ATOM 1295 CZ ARG B 197 9.016 18.208 32.299 1.00 0.00 C ATOM 1296 NH1 ARG B 197 8.975 17.469 31.197 1.00 0.00 N ATOM 1297 NH2 ARG B 197 7.885 18.624 32.842 1.00 0.00 N ATOM 0 H ARG B 197 16.541 18.270 31.214 1.00 0.00 H new ATOM 0 HA ARG B 197 13.654 18.215 30.686 1.00 0.00 H new ATOM 0 HB2 ARG B 197 14.025 17.021 32.895 1.00 0.00 H new ATOM 0 HB3 ARG B 197 14.783 18.478 33.507 1.00 0.00 H new ATOM 0 HG2 ARG B 197 12.471 18.369 34.289 1.00 0.00 H new ATOM 0 HG3 ARG B 197 12.653 19.731 33.202 1.00 0.00 H new ATOM 0 HD2 ARG B 197 11.645 18.434 31.349 1.00 0.00 H new ATOM 0 HD3 ARG B 197 11.546 17.010 32.365 1.00 0.00 H new ATOM 0 HE ARG B 197 10.164 19.134 33.687 1.00 0.00 H new ATOM 0 HH11 ARG B 197 9.842 17.144 30.768 1.00 0.00 H new ATOM 0 HH12 ARG B 197 8.077 17.226 30.779 1.00 0.00 H new ATOM 0 HH21 ARG B 197 7.905 19.194 33.688 1.00 0.00 H new ATOM 0 HH22 ARG B 197 6.993 18.375 32.415 1.00 0.00 H new ATOM 1311 N GLN B 198 14.013 20.647 30.293 1.00 0.00 N ATOM 1312 CA GLN B 198 14.080 22.106 30.051 1.00 0.00 C ATOM 1313 C GLN B 198 12.662 22.653 29.784 1.00 0.00 C ATOM 1314 O GLN B 198 11.758 21.890 29.412 1.00 0.00 O ATOM 1315 CB GLN B 198 14.994 22.411 28.822 1.00 0.00 C ATOM 1316 CG GLN B 198 16.476 21.992 28.969 1.00 0.00 C ATOM 1317 CD GLN B 198 17.311 22.254 27.705 1.00 0.00 C ATOM 1318 OE1 GLN B 198 16.805 22.199 26.586 1.00 0.00 O ATOM 1319 NE2 GLN B 198 18.589 22.549 27.867 1.00 0.00 N ATOM 0 H GLN B 198 13.391 20.161 29.647 1.00 0.00 H new ATOM 0 HA GLN B 198 14.500 22.589 30.934 1.00 0.00 H new ATOM 0 HB2 GLN B 198 14.578 21.908 27.949 1.00 0.00 H new ATOM 0 HB3 GLN B 198 14.956 23.482 28.621 1.00 0.00 H new ATOM 0 HG2 GLN B 198 16.918 22.533 29.806 1.00 0.00 H new ATOM 0 HG3 GLN B 198 16.524 20.931 29.214 1.00 0.00 H new ATOM 0 HE21 GLN B 198 18.988 22.589 28.805 1.00 0.00 H new ATOM 0 HE22 GLN B 198 19.176 22.737 27.054 1.00 0.00 H new ATOM 1328 N VAL B 199 12.471 23.971 29.993 1.00 0.00 N ATOM 1329 CA VAL B 199 11.285 24.693 29.500 1.00 0.00 C ATOM 1330 C VAL B 199 11.695 25.464 28.224 1.00 0.00 C ATOM 1331 O VAL B 199 12.448 26.452 28.273 1.00 0.00 O ATOM 1332 CB VAL B 199 10.631 25.636 30.590 1.00 0.00 C ATOM 1333 CG1 VAL B 199 11.632 26.648 31.205 1.00 0.00 C ATOM 1334 CG2 VAL B 199 9.366 26.338 30.017 1.00 0.00 C ATOM 0 H VAL B 199 13.129 24.559 30.504 1.00 0.00 H new ATOM 0 HA VAL B 199 10.502 23.972 29.264 1.00 0.00 H new ATOM 0 HB VAL B 199 10.323 24.999 31.419 1.00 0.00 H new ATOM 0 HG11 VAL B 199 11.119 27.263 31.944 1.00 0.00 H new ATOM 0 HG12 VAL B 199 12.447 26.107 31.686 1.00 0.00 H new ATOM 0 HG13 VAL B 199 12.034 27.286 30.418 1.00 0.00 H new ATOM 0 HG21 VAL B 199 8.930 26.982 30.781 1.00 0.00 H new ATOM 0 HG22 VAL B 199 9.644 26.939 29.151 1.00 0.00 H new ATOM 0 HG23 VAL B 199 8.637 25.586 29.717 1.00 0.00 H new ATOM 1344 N THR B 200 11.235 24.949 27.078 1.00 0.00 N ATOM 1345 CA THR B 200 11.637 25.422 25.753 1.00 0.00 C ATOM 1346 C THR B 200 10.960 26.773 25.410 1.00 0.00 C ATOM 1347 O THR B 200 9.795 27.005 25.759 1.00 0.00 O ATOM 1348 CB THR B 200 11.274 24.340 24.681 1.00 0.00 C ATOM 1349 OG1 THR B 200 11.723 23.044 25.122 1.00 0.00 O ATOM 1350 CG2 THR B 200 11.902 24.639 23.310 1.00 0.00 C ATOM 0 H THR B 200 10.564 24.181 27.047 1.00 0.00 H new ATOM 0 HA THR B 200 12.715 25.585 25.754 1.00 0.00 H new ATOM 0 HB THR B 200 10.190 24.356 24.568 1.00 0.00 H new ATOM 0 HG1 THR B 200 11.492 22.371 24.448 1.00 0.00 H new ATOM 0 HG21 THR B 200 11.620 23.859 22.603 1.00 0.00 H new ATOM 0 HG22 THR B 200 11.545 25.603 22.949 1.00 0.00 H new ATOM 0 HG23 THR B 200 12.987 24.667 23.405 1.00 0.00 H new ATOM 1358 N LYS B 201 11.723 27.668 24.758 1.00 0.00 N ATOM 1359 CA LYS B 201 11.214 28.940 24.223 1.00 0.00 C ATOM 1360 C LYS B 201 10.981 28.726 22.728 1.00 0.00 C ATOM 1361 O LYS B 201 11.897 28.301 22.008 1.00 0.00 O ATOM 1362 CB LYS B 201 12.209 30.120 24.450 1.00 0.00 C ATOM 1363 CG LYS B 201 12.675 30.338 25.916 1.00 0.00 C ATOM 1364 CD LYS B 201 13.777 29.342 26.356 1.00 0.00 C ATOM 1365 CE LYS B 201 14.286 29.582 27.786 1.00 0.00 C ATOM 1366 NZ LYS B 201 13.230 29.385 28.806 1.00 0.00 N ATOM 0 H LYS B 201 12.718 27.526 24.587 1.00 0.00 H new ATOM 0 HA LYS B 201 10.295 29.215 24.741 1.00 0.00 H new ATOM 0 HB2 LYS B 201 13.090 29.953 23.830 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.740 31.039 24.097 1.00 0.00 H new ATOM 0 HG2 LYS B 201 13.049 31.356 26.025 1.00 0.00 H new ATOM 0 HG3 LYS B 201 11.818 30.240 26.582 1.00 0.00 H new ATOM 0 HD2 LYS B 201 13.388 28.327 26.283 1.00 0.00 H new ATOM 0 HD3 LYS B 201 14.616 29.412 25.664 1.00 0.00 H new ATOM 0 HE2 LYS B 201 15.115 28.905 27.991 1.00 0.00 H new ATOM 0 HE3 LYS B 201 14.676 30.597 27.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 13.633 29.526 29.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 12.464 30.071 28.650 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 12.850 28.420 28.731 1.00 0.00 H new ATOM 1380 N VAL B 202 9.761 29.000 22.277 1.00 0.00 N ATOM 1381 CA VAL B 202 9.277 28.623 20.938 1.00 0.00 C ATOM 1382 C VAL B 202 8.370 29.726 20.354 1.00 0.00 C ATOM 1383 O VAL B 202 8.216 30.782 20.956 1.00 0.00 O ATOM 1384 CB VAL B 202 8.505 27.241 21.001 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.465 26.027 21.119 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.490 27.238 22.166 1.00 0.00 C ATOM 0 H VAL B 202 9.065 29.497 22.833 1.00 0.00 H new ATOM 0 HA VAL B 202 10.138 28.509 20.280 1.00 0.00 H new ATOM 0 HB VAL B 202 7.969 27.136 20.058 1.00 0.00 H new ATOM 0 HG11 VAL B 202 8.884 25.106 21.158 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.127 26.001 20.254 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.059 26.120 22.028 1.00 0.00 H new ATOM 0 HG21 VAL B 202 6.970 26.281 22.193 1.00 0.00 H new ATOM 0 HG22 VAL B 202 8.017 27.391 23.108 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.766 28.040 22.020 1.00 0.00 H new ATOM 1396 N ASP B 203 7.800 29.475 19.162 1.00 0.00 N ATOM 1397 CA ASP B 203 6.911 30.434 18.455 1.00 0.00 C ATOM 1398 C ASP B 203 5.518 29.825 18.267 1.00 0.00 C ATOM 1399 O ASP B 203 5.393 28.619 18.120 1.00 0.00 O ATOM 1400 CB ASP B 203 7.510 30.834 17.080 1.00 0.00 C ATOM 1401 CG ASP B 203 8.773 31.694 17.216 1.00 0.00 C ATOM 1402 OD1 ASP B 203 8.644 32.930 17.342 1.00 0.00 O ATOM 1403 OD2 ASP B 203 9.895 31.142 17.223 1.00 0.00 O ATOM 0 H ASP B 203 7.939 28.601 18.655 1.00 0.00 H new ATOM 0 HA ASP B 203 6.826 31.333 19.065 1.00 0.00 H new ATOM 0 HB2 ASP B 203 7.747 29.933 16.515 1.00 0.00 H new ATOM 0 HB3 ASP B 203 6.762 31.382 16.507 1.00 0.00 H new ATOM 1408 N CYS B 204 4.478 30.679 18.287 1.00 0.00 N ATOM 1409 CA CYS B 204 3.073 30.279 18.062 1.00 0.00 C ATOM 1410 C CYS B 204 2.771 30.369 16.554 1.00 0.00 C ATOM 1411 O CYS B 204 2.588 31.474 16.062 1.00 0.00 O ATOM 1412 CB CYS B 204 2.128 31.197 18.892 1.00 0.00 C ATOM 1413 SG CYS B 204 0.340 30.785 18.875 1.00 0.00 S ATOM 0 H CYS B 204 4.589 31.678 18.462 1.00 0.00 H new ATOM 0 HA CYS B 204 2.908 29.253 18.390 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.468 31.186 19.927 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.244 32.218 18.530 1.00 0.00 H new ATOM 1418 N PRO B 205 2.752 29.210 15.789 1.00 0.00 N ATOM 1419 CA PRO B 205 2.600 29.185 14.296 1.00 0.00 C ATOM 1420 C PRO B 205 1.437 30.034 13.745 1.00 0.00 C ATOM 1421 O PRO B 205 1.483 30.508 12.607 1.00 0.00 O ATOM 1422 CB PRO B 205 2.338 27.683 14.001 1.00 0.00 C ATOM 1423 CG PRO B 205 3.069 26.963 15.085 1.00 0.00 C ATOM 1424 CD PRO B 205 2.901 27.822 16.318 1.00 0.00 C ATOM 0 HA PRO B 205 3.480 29.613 13.817 1.00 0.00 H new ATOM 0 HB2 PRO B 205 1.273 27.454 14.019 1.00 0.00 H new ATOM 0 HB3 PRO B 205 2.708 27.400 13.016 1.00 0.00 H new ATOM 0 HG2 PRO B 205 2.658 25.966 15.241 1.00 0.00 H new ATOM 0 HG3 PRO B 205 4.122 26.838 14.833 1.00 0.00 H new ATOM 0 HD2 PRO B 205 2.027 27.521 16.895 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.763 27.740 16.980 1.00 0.00 H new ATOM 1432 N VAL B 206 0.401 30.208 14.578 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.843 30.859 14.172 1.00 0.00 C ATOM 1434 C VAL B 206 -0.707 32.401 14.196 1.00 0.00 C ATOM 1435 O VAL B 206 -0.778 33.048 13.150 1.00 0.00 O ATOM 1436 CB VAL B 206 -2.043 30.412 15.081 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.385 30.826 14.438 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -1.999 28.888 15.393 1.00 0.00 C ATOM 0 H VAL B 206 0.406 29.900 15.550 1.00 0.00 H new ATOM 0 HA VAL B 206 -1.048 30.547 13.148 1.00 0.00 H new ATOM 0 HB VAL B 206 -1.951 30.926 16.038 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.208 30.510 15.079 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.413 31.909 14.319 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.482 30.351 13.462 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -2.847 28.621 16.024 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -2.049 28.324 14.461 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -1.071 28.650 15.912 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.492 32.985 15.398 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.452 34.464 15.567 1.00 0.00 C ATOM 1450 C CYS B 207 0.992 35.010 15.547 1.00 0.00 C ATOM 1451 O CYS B 207 1.193 36.214 15.706 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.196 34.898 16.857 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.364 34.490 18.418 1.00 0.00 S ATOM 0 H CYS B 207 -0.344 32.463 16.262 1.00 0.00 H new ATOM 0 HA CYS B 207 -0.971 34.900 14.713 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.351 35.976 16.820 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.182 34.434 16.860 1.00 0.00 H new ATOM 1458 N GLY B 208 1.982 34.106 15.363 1.00 0.00 N ATOM 1459 CA GLY B 208 3.395 34.476 15.143 1.00 0.00 C ATOM 1460 C GLY B 208 4.059 35.223 16.305 1.00 0.00 C ATOM 1461 O GLY B 208 4.747 36.224 16.085 1.00 0.00 O ATOM 0 H GLY B 208 1.821 33.099 15.363 1.00 0.00 H new ATOM 0 HA2 GLY B 208 3.965 33.569 14.941 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.457 35.097 14.249 1.00 0.00 H new ATOM 1465 N VAL B 209 3.857 34.739 17.545 1.00 0.00 N ATOM 1466 CA VAL B 209 4.438 35.362 18.763 1.00 0.00 C ATOM 1467 C VAL B 209 5.398 34.372 19.464 1.00 0.00 C ATOM 1468 O VAL B 209 5.097 33.175 19.557 1.00 0.00 O ATOM 1469 CB VAL B 209 3.310 35.851 19.764 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.372 36.880 19.082 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.495 34.669 20.348 1.00 0.00 C ATOM 0 H VAL B 209 3.292 33.912 17.737 1.00 0.00 H new ATOM 0 HA VAL B 209 5.002 36.241 18.453 1.00 0.00 H new ATOM 0 HB VAL B 209 3.813 36.340 20.598 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.607 37.200 19.790 1.00 0.00 H new ATOM 0 HG12 VAL B 209 2.953 37.744 18.760 1.00 0.00 H new ATOM 0 HG13 VAL B 209 1.896 36.420 18.216 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.734 35.052 21.028 1.00 0.00 H new ATOM 0 HG22 VAL B 209 2.014 34.122 19.537 1.00 0.00 H new ATOM 0 HG23 VAL B 209 3.163 34.000 20.891 1.00 0.00 H new ATOM 1481 N ASN B 210 6.558 34.872 19.938 1.00 0.00 N ATOM 1482 CA ASN B 210 7.564 34.042 20.634 1.00 0.00 C ATOM 1483 C ASN B 210 7.239 33.986 22.143 1.00 0.00 C ATOM 1484 O ASN B 210 7.245 35.015 22.829 1.00 0.00 O ATOM 1485 CB ASN B 210 9.000 34.574 20.390 1.00 0.00 C ATOM 1486 CG ASN B 210 10.075 33.624 20.936 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.541 33.765 22.067 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.443 32.623 20.152 1.00 0.00 N ATOM 0 H ASN B 210 6.822 35.853 19.851 1.00 0.00 H new ATOM 0 HA ASN B 210 7.523 33.031 20.228 1.00 0.00 H new ATOM 0 HB2 ASN B 210 9.155 34.718 19.321 1.00 0.00 H new ATOM 0 HB3 ASN B 210 9.108 35.551 20.862 1.00 0.00 H new ATOM 0 HD21 ASN B 210 11.129 31.944 20.480 1.00 0.00 H new ATOM 0 HD22 ASN B 210 10.040 32.531 19.219 1.00 0.00 H new ATOM 1495 N ILE B 211 6.957 32.769 22.629 1.00 0.00 N ATOM 1496 CA ILE B 211 6.424 32.494 23.983 1.00 0.00 C ATOM 1497 C ILE B 211 6.997 31.150 24.523 1.00 0.00 C ATOM 1498 O ILE B 211 7.507 30.343 23.738 1.00 0.00 O ATOM 1499 CB ILE B 211 4.841 32.422 23.938 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.379 31.500 22.762 1.00 0.00 C ATOM 1501 CG2 ILE B 211 4.199 33.832 23.848 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.886 31.428 22.565 1.00 0.00 C ATOM 0 H ILE B 211 7.095 31.920 22.080 1.00 0.00 H new ATOM 0 HA ILE B 211 6.727 33.302 24.649 1.00 0.00 H new ATOM 0 HB ILE B 211 4.494 31.985 24.874 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.837 31.855 21.839 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.757 30.493 22.938 1.00 0.00 H new ATOM 0 HG21 ILE B 211 3.114 33.736 23.819 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.489 34.420 24.719 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.543 34.331 22.942 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.661 30.766 21.729 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.418 31.041 23.470 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.498 32.425 22.354 1.00 0.00 H new ATOM 1514 N PRO B 212 6.934 30.888 25.877 1.00 0.00 N ATOM 1515 CA PRO B 212 7.346 29.578 26.464 1.00 0.00 C ATOM 1516 C PRO B 212 6.436 28.397 26.014 1.00 0.00 C ATOM 1517 O PRO B 212 5.314 28.612 25.552 1.00 0.00 O ATOM 1518 CB PRO B 212 7.250 29.826 27.989 1.00 0.00 C ATOM 1519 CG PRO B 212 6.268 30.947 28.136 1.00 0.00 C ATOM 1520 CD PRO B 212 6.505 31.844 26.945 1.00 0.00 C ATOM 0 HA PRO B 212 8.341 29.277 26.137 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.911 28.933 28.514 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.220 30.093 28.408 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.244 30.574 28.149 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.423 31.486 29.071 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.602 32.385 26.662 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.273 32.590 27.149 1.00 0.00 H new ATOM 1528 N GLU B 213 6.946 27.164 26.193 1.00 0.00 N ATOM 1529 CA GLU B 213 6.356 25.919 25.640 1.00 0.00 C ATOM 1530 C GLU B 213 4.954 25.577 26.227 1.00 0.00 C ATOM 1531 O GLU B 213 4.051 25.126 25.500 1.00 0.00 O ATOM 1532 CB GLU B 213 7.362 24.757 25.859 1.00 0.00 C ATOM 1533 CG GLU B 213 7.007 23.428 25.161 1.00 0.00 C ATOM 1534 CD GLU B 213 8.039 22.317 25.428 1.00 0.00 C ATOM 1535 OE1 GLU B 213 8.185 21.916 26.606 1.00 0.00 O ATOM 1536 OE2 GLU B 213 8.718 21.863 24.479 1.00 0.00 O ATOM 0 H GLU B 213 7.794 26.997 26.734 1.00 0.00 H new ATOM 0 HA GLU B 213 6.182 26.074 24.575 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.343 25.079 25.510 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.449 24.572 26.930 1.00 0.00 H new ATOM 0 HG2 GLU B 213 6.026 23.095 25.501 1.00 0.00 H new ATOM 0 HG3 GLU B 213 6.932 23.596 24.087 1.00 0.00 H new ATOM 1543 N SER B 214 4.755 25.791 27.534 1.00 0.00 N ATOM 1544 CA SER B 214 3.439 25.545 28.176 1.00 0.00 C ATOM 1545 C SER B 214 2.389 26.533 27.619 1.00 0.00 C ATOM 1546 O SER B 214 1.260 26.146 27.250 1.00 0.00 O ATOM 1547 CB SER B 214 3.569 25.678 29.706 1.00 0.00 C ATOM 1548 OG SER B 214 4.647 24.888 30.187 1.00 0.00 O ATOM 0 H SER B 214 5.476 26.131 28.170 1.00 0.00 H new ATOM 0 HA SER B 214 3.108 24.532 27.949 1.00 0.00 H new ATOM 0 HB2 SER B 214 3.729 26.723 29.973 1.00 0.00 H new ATOM 0 HB3 SER B 214 2.641 25.365 30.184 1.00 0.00 H new ATOM 0 HG SER B 214 4.716 24.986 31.160 1.00 0.00 H new ATOM 1554 N HIS B 215 2.817 27.806 27.498 1.00 0.00 N ATOM 1555 CA HIS B 215 1.965 28.896 27.001 1.00 0.00 C ATOM 1556 C HIS B 215 1.783 28.829 25.485 1.00 0.00 C ATOM 1557 O HIS B 215 0.857 29.448 24.970 1.00 0.00 O ATOM 1558 CB HIS B 215 2.544 30.275 27.401 1.00 0.00 C ATOM 1559 CG HIS B 215 2.432 30.585 28.867 1.00 0.00 C ATOM 1560 ND1 HIS B 215 1.499 31.459 29.372 1.00 0.00 N ATOM 1561 CD2 HIS B 215 3.136 30.136 29.933 1.00 0.00 C ATOM 1562 CE1 HIS B 215 1.632 31.535 30.676 1.00 0.00 C ATOM 1563 NE2 HIS B 215 2.618 30.742 31.047 1.00 0.00 N ATOM 0 H HIS B 215 3.762 28.103 27.743 1.00 0.00 H new ATOM 0 HA HIS B 215 0.986 28.772 27.465 1.00 0.00 H new ATOM 0 HB2 HIS B 215 3.594 30.314 27.111 1.00 0.00 H new ATOM 0 HB3 HIS B 215 2.028 31.051 26.836 1.00 0.00 H new ATOM 0 HD2 HIS B 215 3.954 29.431 29.909 1.00 0.00 H new ATOM 0 HE1 HIS B 215 1.033 32.146 31.335 1.00 0.00 H new ATOM 0 HE2 HIS B 215 2.941 30.603 32.004 1.00 0.00 H new ATOM 1572 N ILE B 216 2.672 28.093 24.769 1.00 0.00 N ATOM 1573 CA ILE B 216 2.564 27.946 23.310 1.00 0.00 C ATOM 1574 C ILE B 216 1.362 27.053 22.995 1.00 0.00 C ATOM 1575 O ILE B 216 0.520 27.445 22.202 1.00 0.00 O ATOM 1576 CB ILE B 216 3.915 27.456 22.594 1.00 0.00 C ATOM 1577 CG1 ILE B 216 4.032 27.992 21.125 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.107 25.917 22.574 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.165 27.287 20.095 1.00 0.00 C ATOM 0 H ILE B 216 3.463 27.599 25.183 1.00 0.00 H new ATOM 0 HA ILE B 216 2.402 28.936 22.883 1.00 0.00 H new ATOM 0 HB ILE B 216 4.705 27.880 23.213 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.777 29.052 21.123 1.00 0.00 H new ATOM 0 HG13 ILE B 216 5.073 27.914 20.811 1.00 0.00 H new ATOM 0 HG21 ILE B 216 5.044 25.674 22.072 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.135 25.540 23.597 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.278 25.454 22.039 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.325 27.737 19.115 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.432 26.231 20.057 1.00 0.00 H new ATOM 0 HD13 ILE B 216 2.116 27.386 20.373 1.00 0.00 H new ATOM 1591 N ASN B 217 1.246 25.905 23.690 1.00 0.00 N ATOM 1592 CA ASN B 217 0.141 24.952 23.450 1.00 0.00 C ATOM 1593 C ASN B 217 -1.217 25.525 23.895 1.00 0.00 C ATOM 1594 O ASN B 217 -2.240 25.282 23.233 1.00 0.00 O ATOM 1595 CB ASN B 217 0.431 23.585 24.117 1.00 0.00 C ATOM 1596 CG ASN B 217 1.475 22.785 23.335 1.00 0.00 C ATOM 1597 OD1 ASN B 217 1.133 22.030 22.421 1.00 0.00 O ATOM 1598 ND2 ASN B 217 2.747 22.959 23.663 1.00 0.00 N ATOM 0 H ASN B 217 1.899 25.615 24.418 1.00 0.00 H new ATOM 0 HA ASN B 217 0.077 24.789 22.374 1.00 0.00 H new ATOM 0 HB2 ASN B 217 0.783 23.745 25.136 1.00 0.00 H new ATOM 0 HB3 ASN B 217 -0.492 23.010 24.185 1.00 0.00 H new ATOM 0 HD21 ASN B 217 3.478 22.461 23.154 1.00 0.00 H new ATOM 0 HD22 ASN B 217 2.996 23.591 24.424 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.220 26.297 25.000 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.424 27.042 25.437 1.00 0.00 C ATOM 1607 C LYS B 218 -2.819 28.096 24.376 1.00 0.00 C ATOM 1608 O LYS B 218 -4.007 28.208 24.010 1.00 0.00 O ATOM 1609 CB LYS B 218 -2.190 27.705 26.829 1.00 0.00 C ATOM 1610 CG LYS B 218 -3.301 28.700 27.285 1.00 0.00 C ATOM 1611 CD LYS B 218 -4.732 28.076 27.343 1.00 0.00 C ATOM 1612 CE LYS B 218 -4.929 27.078 28.501 1.00 0.00 C ATOM 1613 NZ LYS B 218 -4.783 27.740 29.820 1.00 0.00 N ATOM 0 H LYS B 218 -0.408 26.422 25.605 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.249 26.337 25.540 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -2.099 26.918 27.578 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.237 28.234 26.806 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -3.045 29.087 28.271 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -3.314 29.550 26.603 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -5.464 28.878 27.438 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -4.936 27.569 26.400 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -5.918 26.625 28.428 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -4.201 26.271 28.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -5.102 27.094 30.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -3.785 27.986 29.976 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -5.360 28.605 29.840 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.801 28.828 23.866 1.00 0.00 N ATOM 1628 CA HIS B 219 -1.994 29.860 22.830 1.00 0.00 C ATOM 1629 C HIS B 219 -2.639 29.240 21.596 1.00 0.00 C ATOM 1630 O HIS B 219 -3.551 29.810 21.040 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.643 30.547 22.431 1.00 0.00 C ATOM 1632 CG HIS B 219 -0.600 32.032 22.670 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -0.659 32.944 21.633 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -0.469 32.708 23.843 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -0.564 34.134 22.206 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -0.448 34.040 23.537 1.00 0.00 N ATOM 0 H HIS B 219 -0.831 28.718 24.161 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.648 30.627 23.245 1.00 0.00 H new ATOM 0 HB2 HIS B 219 0.167 30.079 22.991 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.452 30.357 21.375 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -0.395 32.274 24.829 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -0.578 35.069 21.665 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -0.361 34.814 24.196 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.146 28.048 21.208 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.641 27.314 20.036 1.00 0.00 C ATOM 1646 C LEU B 220 -4.096 26.979 20.190 1.00 0.00 C ATOM 1647 O LEU B 220 -4.859 27.209 19.280 1.00 0.00 O ATOM 1648 CB LEU B 220 -1.871 26.003 19.827 1.00 0.00 C ATOM 1649 CG LEU B 220 -0.371 26.168 19.564 1.00 0.00 C ATOM 1650 CD1 LEU B 220 0.321 24.809 19.493 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.101 27.042 18.322 1.00 0.00 C ATOM 0 H LEU B 220 -1.392 27.570 21.702 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.494 27.965 19.174 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -2.003 25.377 20.709 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -2.315 25.468 18.987 1.00 0.00 H new ATOM 0 HG LEU B 220 0.064 26.703 20.408 1.00 0.00 H new ATOM 0 HD11 LEU B 220 1.385 24.952 19.305 1.00 0.00 H new ATOM 0 HD12 LEU B 220 0.187 24.282 20.438 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.114 24.221 18.685 1.00 0.00 H new ATOM 0 HD21 LEU B 220 0.974 27.135 18.169 1.00 0.00 H new ATOM 0 HD22 LEU B 220 -0.553 26.578 17.445 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -0.533 28.031 18.472 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.451 26.466 21.375 1.00 0.00 N ATOM 1664 CA ASP B 221 -5.794 25.947 21.649 1.00 0.00 C ATOM 1665 C ASP B 221 -6.849 27.057 21.465 1.00 0.00 C ATOM 1666 O ASP B 221 -7.975 26.791 21.050 1.00 0.00 O ATOM 1667 CB ASP B 221 -5.853 25.333 23.073 1.00 0.00 C ATOM 1668 CG ASP B 221 -7.010 24.331 23.238 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -6.836 23.155 22.843 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -8.096 24.712 23.738 1.00 0.00 O ATOM 0 H ASP B 221 -3.815 26.400 22.169 1.00 0.00 H new ATOM 0 HA ASP B 221 -6.021 25.155 20.935 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -4.909 24.831 23.288 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -5.963 26.133 23.805 1.00 0.00 H new ATOM 1675 N SER B 222 -6.440 28.313 21.747 1.00 0.00 N ATOM 1676 CA SER B 222 -7.282 29.505 21.524 1.00 0.00 C ATOM 1677 C SER B 222 -7.133 30.031 20.073 1.00 0.00 C ATOM 1678 O SER B 222 -8.112 30.464 19.459 1.00 0.00 O ATOM 1679 CB SER B 222 -6.907 30.608 22.543 1.00 0.00 C ATOM 1680 OG SER B 222 -7.757 31.749 22.430 1.00 0.00 O ATOM 0 H SER B 222 -5.521 28.527 22.134 1.00 0.00 H new ATOM 0 HA SER B 222 -8.325 29.224 21.669 1.00 0.00 H new ATOM 0 HB2 SER B 222 -6.972 30.206 23.554 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.871 30.910 22.386 1.00 0.00 H new ATOM 0 HG SER B 222 -7.490 32.422 23.090 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.898 29.961 19.534 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.524 30.574 18.242 1.00 0.00 C ATOM 1688 C CYS B 223 -5.978 29.718 17.032 1.00 0.00 C ATOM 1689 O CYS B 223 -6.162 30.252 15.936 1.00 0.00 O ATOM 1690 CB CYS B 223 -3.989 30.831 18.195 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.397 32.130 19.356 1.00 0.00 S ATOM 0 H CYS B 223 -5.125 29.473 19.987 1.00 0.00 H new ATOM 0 HA CYS B 223 -6.047 31.527 18.167 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.470 29.899 18.418 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.712 31.115 17.180 1.00 0.00 H new ATOM 1696 N LEU B 224 -6.206 28.396 17.244 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.575 27.452 16.155 1.00 0.00 C ATOM 1698 C LEU B 224 -8.070 27.578 15.818 1.00 0.00 C ATOM 1699 O LEU B 224 -8.555 26.921 14.887 1.00 0.00 O ATOM 1700 CB LEU B 224 -6.152 25.968 16.498 1.00 0.00 C ATOM 1701 CG LEU B 224 -6.762 25.275 17.784 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -8.221 24.788 17.600 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -5.861 24.110 18.263 1.00 0.00 C ATOM 0 H LEU B 224 -6.141 27.958 18.163 1.00 0.00 H new ATOM 0 HA LEU B 224 -6.015 27.725 15.260 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -6.404 25.347 15.638 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -5.067 25.950 16.598 1.00 0.00 H new ATOM 0 HG LEU B 224 -6.793 26.050 18.550 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -8.569 24.325 18.523 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -8.860 25.637 17.357 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -8.262 24.059 16.790 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -6.301 23.650 19.148 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -5.776 23.366 17.471 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -4.870 24.493 18.508 1.00 0.00 H new ATOM 1715 N SER B 225 -8.786 28.420 16.608 1.00 0.00 N ATOM 1716 CA SER B 225 -10.178 28.795 16.353 1.00 0.00 C ATOM 1717 C SER B 225 -10.260 29.587 15.031 1.00 0.00 C ATOM 1718 O SER B 225 -10.177 30.816 15.011 1.00 0.00 O ATOM 1719 CB SER B 225 -10.745 29.606 17.549 1.00 0.00 C ATOM 1720 OG SER B 225 -12.111 29.930 17.368 1.00 0.00 O ATOM 0 H SER B 225 -8.398 28.855 17.445 1.00 0.00 H new ATOM 0 HA SER B 225 -10.790 27.899 16.252 1.00 0.00 H new ATOM 0 HB2 SER B 225 -10.627 29.030 18.467 1.00 0.00 H new ATOM 0 HB3 SER B 225 -10.168 30.522 17.672 1.00 0.00 H new ATOM 0 HG SER B 225 -12.432 30.439 18.142 1.00 0.00 H new ATOM 1726 N ARG B 226 -10.350 28.837 13.927 1.00 0.00 N ATOM 1727 CA ARG B 226 -10.406 29.378 12.559 1.00 0.00 C ATOM 1728 C ARG B 226 -11.772 30.023 12.270 1.00 0.00 C ATOM 1729 O ARG B 226 -12.768 29.726 12.942 1.00 0.00 O ATOM 1730 CB ARG B 226 -10.125 28.245 11.520 1.00 0.00 C ATOM 1731 CG ARG B 226 -10.922 26.924 11.762 1.00 0.00 C ATOM 1732 CD ARG B 226 -11.426 26.253 10.472 1.00 0.00 C ATOM 1733 NE ARG B 226 -12.539 27.015 9.858 1.00 0.00 N ATOM 1734 CZ ARG B 226 -13.638 26.471 9.305 1.00 0.00 C ATOM 1735 NH1 ARG B 226 -13.777 25.155 9.218 1.00 0.00 N ATOM 1736 NH2 ARG B 226 -14.595 27.254 8.836 1.00 0.00 N ATOM 0 H ARG B 226 -10.387 27.818 13.957 1.00 0.00 H new ATOM 0 HA ARG B 226 -9.639 30.148 12.472 1.00 0.00 H new ATOM 0 HB2 ARG B 226 -10.361 28.618 10.523 1.00 0.00 H new ATOM 0 HB3 ARG B 226 -9.059 28.017 11.531 1.00 0.00 H new ATOM 0 HG2 ARG B 226 -10.286 26.221 12.301 1.00 0.00 H new ATOM 0 HG3 ARG B 226 -11.775 27.139 12.405 1.00 0.00 H new ATOM 0 HD2 ARG B 226 -10.605 26.170 9.760 1.00 0.00 H new ATOM 0 HD3 ARG B 226 -11.758 25.239 10.695 1.00 0.00 H new ATOM 0 HE ARG B 226 -12.466 28.032 9.854 1.00 0.00 H new ATOM 0 HH11 ARG B 226 -13.045 24.540 9.573 1.00 0.00 H new ATOM 0 HH12 ARG B 226 -14.616 24.758 8.796 1.00 0.00 H new ATOM 0 HH21 ARG B 226 -14.499 28.268 8.894 1.00 0.00 H new ATOM 0 HH22 ARG B 226 -15.429 26.844 8.416 1.00 0.00 H new ATOM 1750 N GLU B 227 -11.787 30.904 11.259 1.00 0.00 N ATOM 1751 CA GLU B 227 -13.010 31.513 10.721 1.00 0.00 C ATOM 1752 C GLU B 227 -13.847 30.427 10.001 1.00 0.00 C ATOM 1753 O GLU B 227 -13.421 29.965 8.924 1.00 0.00 O ATOM 1754 CB GLU B 227 -12.636 32.684 9.760 1.00 0.00 C ATOM 1755 CG GLU B 227 -11.890 33.855 10.436 1.00 0.00 C ATOM 1756 CD GLU B 227 -12.765 34.655 11.421 1.00 0.00 C ATOM 1757 OE1 GLU B 227 -12.892 34.248 12.598 1.00 0.00 O ATOM 1758 OE2 GLU B 227 -13.342 35.688 11.018 1.00 0.00 O ATOM 1759 OXT GLU B 227 -14.897 30.008 10.534 1.00 0.00 O ATOM 0 H GLU B 227 -10.939 31.217 10.787 1.00 0.00 H new ATOM 0 HA GLU B 227 -13.612 31.927 11.530 1.00 0.00 H new ATOM 0 HB2 GLU B 227 -12.016 32.292 8.954 1.00 0.00 H new ATOM 0 HB3 GLU B 227 -13.548 33.067 9.302 1.00 0.00 H new ATOM 0 HG2 GLU B 227 -11.023 33.464 10.968 1.00 0.00 H new ATOM 0 HG3 GLU B 227 -11.515 34.529 9.666 1.00 0.00 H new TER 1766 GLU B 227 HETATM 1767 ZN ZN B 301 -1.052 32.567 19.579 1.00 0.00 ZN