USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 723 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: A 41 HIS HD1 : A 41 HIS ND1 : A 131 ZNZN :(H bumps) USER MOD NoAdj-H: A 91 HIS HD1 : A 91 HIS ND1 : A 132 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 133 ZNZN :(H bumps) USER MOD NoAdj-H: A 101 HIS HD1 : A 101 HIS ND1 : A 133 ZNZN :(H bumps) USER MOD Set 1.1: A 106 ASN : amide:sc= -1.18 K(o=-1.2,f=-10!) USER MOD Set 1.2: A 109 THR OG1 : rot 86:sc= 0.00621 USER MOD Set 2.1: A 100 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00796) USER MOD Set 2.2: A 102 TYR OH : rot 180:sc= -0.29 USER MOD Set 3.1: A 96 SER OG : rot 166:sc= -0.4 USER MOD Set 3.2: A 97 GLN : amide:sc= -7.54! C(o=-7.9!,f=-9.2!) USER MOD Set 4.1: A 92 SER OG : rot -16:sc= 0.0921 USER MOD Set 4.2: A 93 THR OG1 : rot 90:sc= 1.79 USER MOD Set 4.3: A 104 THR OG1 : rot 165:sc= -0.89 USER MOD Set 4.4: A 115 TYR OH : rot -70:sc= 0.819 USER MOD Single : A 37 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.91) USER MOD Single : A 38 HIS : no HD1:sc= -0.606 X(o=-0.61,f=-0.24) USER MOD Single : A 44 SER OG : rot 68:sc= 0.374 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -2.52! C(o=-2.5!,f=-6.1!) USER MOD Single : A 56 LYS NZ :NH3+ -105:sc= -0.553 (180deg=-2.6!) USER MOD Single : A 57 SER OG : rot -36:sc= 1.18 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.97! C(o=-3!,f=-8.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.99! C(o=-2!,f=-2.9!) USER MOD Single : A 70 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.465 K(o=-0.46,f=-1.4!) USER MOD Single : A 80 SER OG : rot 8:sc= 0.266 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 99 THR OG1 : rot 169:sc= -0.166 USER MOD Single : A 108 THR OG1 : rot 90:sc= -0.956 USER MOD Single : A 118 SER OG : rot -67:sc= 0.566 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -154:sc= -0.097 (180deg=-0.481) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0591 K(o=-0.059,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 36 21.116 2.004 10.898 1.00 0.00 N ATOM 2 CA ARG A 36 22.311 2.355 10.086 1.00 0.00 C ATOM 3 C ARG A 36 21.973 2.399 8.599 1.00 0.00 C ATOM 4 O ARG A 36 22.013 3.459 7.974 1.00 0.00 O ATOM 5 CB ARG A 36 23.401 1.314 10.348 1.00 0.00 C ATOM 6 CG ARG A 36 23.747 1.155 11.820 1.00 0.00 C ATOM 7 CD ARG A 36 22.849 0.132 12.499 1.00 0.00 C ATOM 8 NE ARG A 36 23.564 -1.104 12.807 1.00 0.00 N ATOM 9 CZ ARG A 36 24.376 -1.250 13.852 1.00 0.00 C ATOM 10 NH1 ARG A 36 24.579 -0.240 14.689 1.00 0.00 N ATOM 11 NH2 ARG A 36 24.987 -2.408 14.061 1.00 0.00 N ATOM 0 HA ARG A 36 22.660 3.347 10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 36 23.075 0.351 9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 36 24.300 1.595 9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 36 24.788 0.848 11.918 1.00 0.00 H new ATOM 0 HG3 ARG A 36 23.649 2.117 12.323 1.00 0.00 H new ATOM 0 HD2 ARG A 36 22.446 0.557 13.418 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.000 -0.091 11.853 1.00 0.00 H new ATOM 0 HE ARG A 36 23.434 -1.902 12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.112 0.653 14.533 1.00 0.00 H new ATOM 0 HH12 ARG A 36 25.202 -0.357 15.488 1.00 0.00 H new ATOM 0 HH21 ARG A 36 24.835 -3.188 13.421 1.00 0.00 H new ATOM 0 HH22 ARG A 36 25.609 -2.519 14.862 1.00 0.00 H new ATOM 27 N ASN A 37 21.639 1.242 8.039 1.00 0.00 N ATOM 28 CA ASN A 37 21.293 1.149 6.626 1.00 0.00 C ATOM 29 C ASN A 37 19.783 1.033 6.442 1.00 0.00 C ATOM 30 O ASN A 37 19.088 0.457 7.278 1.00 0.00 O ATOM 31 CB ASN A 37 21.993 -0.054 5.985 1.00 0.00 C ATOM 32 CG ASN A 37 23.156 0.358 5.105 1.00 0.00 C ATOM 33 OD1 ASN A 37 23.758 1.413 5.304 1.00 0.00 O ATOM 34 ND2 ASN A 37 23.480 -0.477 4.123 1.00 0.00 N ATOM 0 H ASN A 37 21.601 0.355 8.542 1.00 0.00 H new ATOM 0 HA ASN A 37 21.631 2.061 6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 37 22.352 -0.722 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 37 21.273 -0.617 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 37 24.255 -0.254 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 37 22.954 -1.341 3.994 1.00 0.00 H new ATOM 41 N HIS A 38 19.282 1.585 5.341 1.00 0.00 N ATOM 42 CA HIS A 38 17.854 1.545 5.047 1.00 0.00 C ATOM 43 C HIS A 38 17.505 0.316 4.213 1.00 0.00 C ATOM 44 O HIS A 38 18.324 -0.589 4.048 1.00 0.00 O ATOM 45 CB HIS A 38 17.427 2.816 4.311 1.00 0.00 C ATOM 46 CG HIS A 38 16.112 3.361 4.773 1.00 0.00 C ATOM 47 ND1 HIS A 38 15.651 4.614 4.423 1.00 0.00 N ATOM 48 CD2 HIS A 38 15.155 2.818 5.562 1.00 0.00 C ATOM 49 CE1 HIS A 38 14.470 4.817 4.978 1.00 0.00 C ATOM 50 NE2 HIS A 38 14.145 3.743 5.673 1.00 0.00 N ATOM 0 H HIS A 38 19.844 2.065 4.638 1.00 0.00 H new ATOM 0 HA HIS A 38 17.315 1.485 5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 38 18.194 3.579 4.444 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.369 2.606 3.243 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.181 1.840 6.019 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.871 5.711 4.880 1.00 0.00 H new ATOM 0 HE2 HIS A 38 13.284 3.620 6.206 1.00 0.00 H new ATOM 59 N CYS A 39 16.283 0.290 3.690 1.00 0.00 N ATOM 60 CA CYS A 39 15.826 -0.828 2.873 1.00 0.00 C ATOM 61 C CYS A 39 15.808 -0.441 1.388 1.00 0.00 C ATOM 62 O CYS A 39 15.341 0.639 1.023 1.00 0.00 O ATOM 63 CB CYS A 39 14.437 -1.287 3.348 1.00 0.00 C ATOM 64 SG CYS A 39 13.334 -1.871 2.038 1.00 0.00 S ATOM 0 H CYS A 39 15.592 1.030 3.817 1.00 0.00 H new ATOM 0 HA CYS A 39 16.521 -1.660 2.987 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.565 -2.087 4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.954 -0.458 3.866 1.00 0.00 H new ATOM 69 N PRO A 40 16.327 -1.323 0.512 1.00 0.00 N ATOM 70 CA PRO A 40 16.380 -1.071 -0.936 1.00 0.00 C ATOM 71 C PRO A 40 15.003 -1.058 -1.592 1.00 0.00 C ATOM 72 O PRO A 40 14.703 -0.187 -2.409 1.00 0.00 O ATOM 73 CB PRO A 40 17.210 -2.241 -1.471 1.00 0.00 C ATOM 74 CG PRO A 40 17.030 -3.324 -0.465 1.00 0.00 C ATOM 75 CD PRO A 40 16.909 -2.634 0.863 1.00 0.00 C ATOM 0 HA PRO A 40 16.800 -0.089 -1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.864 -2.554 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.260 -1.967 -1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.140 -3.914 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.877 -4.010 -0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.267 -3.189 1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.878 -2.527 1.350 1.00 0.00 H new ATOM 83 N HIS A 41 14.170 -2.034 -1.240 1.00 0.00 N ATOM 84 CA HIS A 41 12.827 -2.144 -1.805 1.00 0.00 C ATOM 85 C HIS A 41 12.103 -0.798 -1.789 1.00 0.00 C ATOM 86 O HIS A 41 11.639 -0.320 -2.825 1.00 0.00 O ATOM 87 CB HIS A 41 12.020 -3.190 -1.032 1.00 0.00 C ATOM 88 CG HIS A 41 12.790 -4.442 -0.735 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.229 -4.732 0.534 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.180 -5.432 -1.575 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.873 -5.881 0.442 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.870 -6.345 -0.818 1.00 0.00 N ATOM 0 H HIS A 41 14.402 -2.762 -0.564 1.00 0.00 H new ATOM 0 HA HIS A 41 12.921 -2.458 -2.845 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.678 -2.753 -0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.130 -3.448 -1.607 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.985 -5.491 -2.636 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.343 -6.384 1.275 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.298 -7.210 -1.149 1.00 0.00 H new ATOM 100 N LEU A 42 12.011 -0.192 -0.610 1.00 0.00 N ATOM 101 CA LEU A 42 11.349 1.097 -0.457 1.00 0.00 C ATOM 102 C LEU A 42 12.223 2.228 -0.990 1.00 0.00 C ATOM 103 O LEU A 42 11.720 3.214 -1.528 1.00 0.00 O ATOM 104 CB LEU A 42 11.010 1.347 1.014 1.00 0.00 C ATOM 105 CG LEU A 42 12.218 1.530 1.934 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.600 2.999 2.029 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.923 0.965 3.316 1.00 0.00 C ATOM 0 H LEU A 42 12.389 -0.575 0.257 1.00 0.00 H new ATOM 0 HA LEU A 42 10.427 1.074 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.384 2.236 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.416 0.510 1.382 1.00 0.00 H new ATOM 0 HG LEU A 42 13.060 0.984 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.461 3.109 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.852 3.374 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.761 3.568 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.792 1.103 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.067 1.485 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.698 -0.098 3.234 1.00 0.00 H new ATOM 119 N ASP A 43 13.534 2.082 -0.836 1.00 0.00 N ATOM 120 CA ASP A 43 14.475 3.094 -1.304 1.00 0.00 C ATOM 121 C ASP A 43 14.308 3.356 -2.801 1.00 0.00 C ATOM 122 O ASP A 43 14.705 4.409 -3.301 1.00 0.00 O ATOM 123 CB ASP A 43 15.912 2.661 -1.006 1.00 0.00 C ATOM 124 CG ASP A 43 16.431 3.240 0.294 1.00 0.00 C ATOM 125 OD1 ASP A 43 17.192 2.539 0.994 1.00 0.00 O ATOM 126 OD2 ASP A 43 16.078 4.395 0.614 1.00 0.00 O ATOM 0 H ASP A 43 13.970 1.274 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 43 14.262 4.020 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.959 1.573 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.560 2.974 -1.825 1.00 0.00 H new ATOM 131 N SER A 44 13.731 2.392 -3.514 1.00 0.00 N ATOM 132 CA SER A 44 13.528 2.524 -4.953 1.00 0.00 C ATOM 133 C SER A 44 12.228 3.260 -5.272 1.00 0.00 C ATOM 134 O SER A 44 12.193 4.120 -6.153 1.00 0.00 O ATOM 135 CB SER A 44 13.517 1.145 -5.614 1.00 0.00 C ATOM 136 OG SER A 44 14.733 0.455 -5.378 1.00 0.00 O ATOM 0 H SER A 44 13.397 1.513 -3.119 1.00 0.00 H new ATOM 0 HA SER A 44 14.356 3.111 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.683 0.560 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 44 13.360 1.254 -6.687 1.00 0.00 H new ATOM 0 HG SER A 44 14.802 0.229 -4.427 1.00 0.00 H new ATOM 142 N VAL A 45 11.160 2.919 -4.557 1.00 0.00 N ATOM 143 CA VAL A 45 9.863 3.552 -4.776 1.00 0.00 C ATOM 144 C VAL A 45 9.868 5.002 -4.306 1.00 0.00 C ATOM 145 O VAL A 45 10.738 5.414 -3.539 1.00 0.00 O ATOM 146 CB VAL A 45 8.732 2.792 -4.055 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.600 1.380 -4.604 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.975 2.769 -2.555 1.00 0.00 C ATOM 0 H VAL A 45 11.166 2.210 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 45 9.680 3.523 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 45 7.794 3.316 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.797 0.860 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.372 1.424 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.537 0.843 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.166 2.228 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.923 2.272 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.011 3.791 -2.177 1.00 0.00 H new ATOM 158 N GLY A 46 8.890 5.773 -4.774 1.00 0.00 N ATOM 159 CA GLY A 46 8.800 7.170 -4.392 1.00 0.00 C ATOM 160 C GLY A 46 7.827 7.399 -3.252 1.00 0.00 C ATOM 161 O GLY A 46 7.884 6.712 -2.232 1.00 0.00 O ATOM 0 H GLY A 46 8.159 5.455 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.787 7.528 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.489 7.760 -5.254 1.00 0.00 H new ATOM 165 N GLU A 47 6.933 8.368 -3.422 1.00 0.00 N ATOM 166 CA GLU A 47 5.945 8.685 -2.397 1.00 0.00 C ATOM 167 C GLU A 47 4.589 9.004 -3.020 1.00 0.00 C ATOM 168 O GLU A 47 4.487 9.238 -4.225 1.00 0.00 O ATOM 169 CB GLU A 47 6.422 9.865 -1.548 1.00 0.00 C ATOM 170 CG GLU A 47 6.135 9.702 -0.064 1.00 0.00 C ATOM 171 CD GLU A 47 6.224 11.011 0.693 1.00 0.00 C ATOM 172 OE1 GLU A 47 5.480 11.176 1.684 1.00 0.00 O ATOM 173 OE2 GLU A 47 7.037 11.873 0.298 1.00 0.00 O ATOM 0 H GLU A 47 6.873 8.947 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 47 5.830 7.809 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.495 9.994 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.942 10.776 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.139 9.279 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.842 8.991 0.363 1.00 0.00 H new ATOM 180 N ILE A 48 3.552 9.014 -2.189 1.00 0.00 N ATOM 181 CA ILE A 48 2.199 9.306 -2.651 1.00 0.00 C ATOM 182 C ILE A 48 1.751 10.690 -2.192 1.00 0.00 C ATOM 183 O ILE A 48 2.046 11.111 -1.074 1.00 0.00 O ATOM 184 CB ILE A 48 1.191 8.251 -2.145 1.00 0.00 C ATOM 185 CG1 ILE A 48 -0.197 8.515 -2.731 1.00 0.00 C ATOM 186 CG2 ILE A 48 1.138 8.247 -0.624 1.00 0.00 C ATOM 187 CD1 ILE A 48 -1.119 7.317 -2.667 1.00 0.00 C ATOM 0 H ILE A 48 3.623 8.823 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 48 2.221 9.278 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 48 1.525 7.268 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.656 9.346 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.090 8.826 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.422 7.497 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.125 8.011 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.829 9.230 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.085 7.578 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.681 6.491 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.256 7.019 -1.628 1.00 0.00 H new ATOM 199 N THR A 49 1.038 11.395 -3.065 1.00 0.00 N ATOM 200 CA THR A 49 0.552 12.734 -2.749 1.00 0.00 C ATOM 201 C THR A 49 -0.664 12.671 -1.831 1.00 0.00 C ATOM 202 O THR A 49 -1.339 11.643 -1.742 1.00 0.00 O ATOM 203 CB THR A 49 0.197 13.487 -4.032 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.828 12.815 -4.742 1.00 0.00 O ATOM 205 CG2 THR A 49 1.372 13.655 -4.971 1.00 0.00 C ATOM 0 H THR A 49 0.784 11.062 -3.995 1.00 0.00 H new ATOM 0 HA THR A 49 1.348 13.268 -2.230 1.00 0.00 H new ATOM 0 HB THR A 49 -0.131 14.474 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.041 13.313 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.052 14.197 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.161 14.215 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.750 12.674 -5.260 1.00 0.00 H new ATOM 213 N LYS A 50 -0.941 13.779 -1.152 1.00 0.00 N ATOM 214 CA LYS A 50 -2.076 13.854 -0.242 1.00 0.00 C ATOM 215 C LYS A 50 -3.382 13.595 -0.984 1.00 0.00 C ATOM 216 O LYS A 50 -4.229 12.834 -0.517 1.00 0.00 O ATOM 217 CB LYS A 50 -2.124 15.226 0.437 1.00 0.00 C ATOM 218 CG LYS A 50 -2.962 15.246 1.705 1.00 0.00 C ATOM 219 CD LYS A 50 -2.358 16.162 2.758 1.00 0.00 C ATOM 220 CE LYS A 50 -3.426 16.739 3.675 1.00 0.00 C ATOM 221 NZ LYS A 50 -3.478 16.027 4.981 1.00 0.00 N ATOM 0 H LYS A 50 -0.394 14.638 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.952 13.085 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.108 15.539 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.525 15.956 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.973 15.578 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.044 14.235 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.630 15.607 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.819 16.974 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.226 17.797 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.398 16.674 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.218 16.449 5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.694 15.023 4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.558 16.111 5.459 1.00 0.00 H new ATOM 235 N GLU A 51 -3.537 14.228 -2.141 1.00 0.00 N ATOM 236 CA GLU A 51 -4.740 14.065 -2.947 1.00 0.00 C ATOM 237 C GLU A 51 -4.948 12.602 -3.322 1.00 0.00 C ATOM 238 O GLU A 51 -6.078 12.113 -3.347 1.00 0.00 O ATOM 239 CB GLU A 51 -4.655 14.921 -4.212 1.00 0.00 C ATOM 240 CG GLU A 51 -6.010 15.364 -4.738 1.00 0.00 C ATOM 241 CD GLU A 51 -6.174 15.104 -6.223 1.00 0.00 C ATOM 242 OE1 GLU A 51 -5.610 14.104 -6.715 1.00 0.00 O ATOM 243 OE2 GLU A 51 -6.869 15.897 -6.892 1.00 0.00 O ATOM 0 H GLU A 51 -2.844 14.859 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.592 14.395 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.049 15.803 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.140 14.356 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.796 14.841 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.141 16.428 -4.543 1.00 0.00 H new ATOM 250 N ASP A 52 -3.853 11.905 -3.608 1.00 0.00 N ATOM 251 CA ASP A 52 -3.926 10.497 -3.971 1.00 0.00 C ATOM 252 C ASP A 52 -4.396 9.665 -2.785 1.00 0.00 C ATOM 253 O ASP A 52 -5.205 8.749 -2.936 1.00 0.00 O ATOM 254 CB ASP A 52 -2.563 9.997 -4.455 1.00 0.00 C ATOM 255 CG ASP A 52 -2.423 10.069 -5.963 1.00 0.00 C ATOM 256 OD1 ASP A 52 -2.012 9.056 -6.570 1.00 0.00 O ATOM 257 OD2 ASP A 52 -2.724 11.136 -6.537 1.00 0.00 O ATOM 0 H ASP A 52 -2.909 12.291 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.646 10.390 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.776 10.591 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.420 8.967 -4.128 1.00 0.00 H new ATOM 262 N LEU A 53 -3.888 9.995 -1.601 1.00 0.00 N ATOM 263 CA LEU A 53 -4.261 9.282 -0.386 1.00 0.00 C ATOM 264 C LEU A 53 -5.690 9.622 0.026 1.00 0.00 C ATOM 265 O LEU A 53 -6.393 8.789 0.596 1.00 0.00 O ATOM 266 CB LEU A 53 -3.293 9.617 0.751 1.00 0.00 C ATOM 267 CG LEU A 53 -1.887 9.030 0.600 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.966 9.564 1.684 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.934 7.509 0.641 1.00 0.00 C ATOM 0 H LEU A 53 -3.218 10.751 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.206 8.213 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.211 10.701 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.720 9.260 1.688 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.491 9.335 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.029 9.135 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.905 10.650 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.359 9.291 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.925 7.111 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.352 7.183 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.559 7.142 -0.173 1.00 0.00 H new ATOM 281 N ILE A 54 -6.116 10.847 -0.267 1.00 0.00 N ATOM 282 CA ILE A 54 -7.465 11.290 0.073 1.00 0.00 C ATOM 283 C ILE A 54 -8.513 10.335 -0.501 1.00 0.00 C ATOM 284 O ILE A 54 -9.441 9.927 0.197 1.00 0.00 O ATOM 285 CB ILE A 54 -7.730 12.728 -0.437 1.00 0.00 C ATOM 286 CG1 ILE A 54 -7.050 13.746 0.480 1.00 0.00 C ATOM 287 CG2 ILE A 54 -9.223 13.017 -0.526 1.00 0.00 C ATOM 288 CD1 ILE A 54 -7.543 13.694 1.910 1.00 0.00 C ATOM 0 H ILE A 54 -5.547 11.550 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.544 11.289 1.160 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.310 12.812 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.974 13.572 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.215 14.748 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.376 14.034 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.689 12.313 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.674 12.911 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.018 14.443 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.613 13.898 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.353 12.704 2.325 1.00 0.00 H new ATOM 300 N GLN A 55 -8.355 9.979 -1.772 1.00 0.00 N ATOM 301 CA GLN A 55 -9.288 9.069 -2.428 1.00 0.00 C ATOM 302 C GLN A 55 -9.201 7.680 -1.810 1.00 0.00 C ATOM 303 O GLN A 55 -10.216 7.020 -1.595 1.00 0.00 O ATOM 304 CB GLN A 55 -8.997 9.001 -3.931 1.00 0.00 C ATOM 305 CG GLN A 55 -10.090 9.619 -4.788 1.00 0.00 C ATOM 306 CD GLN A 55 -11.158 8.617 -5.183 1.00 0.00 C ATOM 307 OE1 GLN A 55 -11.974 8.203 -4.359 1.00 0.00 O ATOM 308 NE2 GLN A 55 -11.156 8.221 -6.450 1.00 0.00 N ATOM 0 H GLN A 55 -7.593 10.305 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.300 9.449 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.055 9.510 -4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.865 7.959 -4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.553 10.442 -4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.645 10.044 -5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.461 8.590 -7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.850 7.547 -6.775 1.00 0.00 H new ATOM 317 N LYS A 56 -7.983 7.252 -1.512 1.00 0.00 N ATOM 318 CA LYS A 56 -7.764 5.950 -0.899 1.00 0.00 C ATOM 319 C LYS A 56 -8.295 5.951 0.530 1.00 0.00 C ATOM 320 O LYS A 56 -8.766 4.932 1.035 1.00 0.00 O ATOM 321 CB LYS A 56 -6.274 5.602 -0.909 1.00 0.00 C ATOM 322 CG LYS A 56 -5.622 5.762 -2.274 1.00 0.00 C ATOM 323 CD LYS A 56 -4.114 5.909 -2.159 1.00 0.00 C ATOM 324 CE LYS A 56 -3.405 5.336 -3.377 1.00 0.00 C ATOM 325 NZ LYS A 56 -3.525 6.229 -4.562 1.00 0.00 N ATOM 0 H LYS A 56 -7.132 7.787 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.301 5.196 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.756 6.238 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.147 4.573 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.858 4.897 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.036 6.636 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.857 6.963 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.765 5.400 -1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.351 5.182 -3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.825 4.359 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.214 5.828 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.846 7.170 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.599 6.314 -5.028 1.00 0.00 H new ATOM 339 N SER A 57 -8.214 7.112 1.172 1.00 0.00 N ATOM 340 CA SER A 57 -8.682 7.276 2.542 1.00 0.00 C ATOM 341 C SER A 57 -10.208 7.248 2.618 1.00 0.00 C ATOM 342 O SER A 57 -10.777 7.151 3.705 1.00 0.00 O ATOM 343 CB SER A 57 -8.156 8.589 3.127 1.00 0.00 C ATOM 344 OG SER A 57 -8.973 9.683 2.749 1.00 0.00 O ATOM 0 H SER A 57 -7.825 7.960 0.760 1.00 0.00 H new ATOM 0 HA SER A 57 -8.298 6.440 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.120 8.517 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.135 8.759 2.785 1.00 0.00 H new ATOM 0 HG SER A 57 -9.296 9.549 1.834 1.00 0.00 H new ATOM 350 N LEU A 58 -10.872 7.340 1.465 1.00 0.00 N ATOM 351 CA LEU A 58 -12.330 7.331 1.433 1.00 0.00 C ATOM 352 C LEU A 58 -12.881 6.017 1.986 1.00 0.00 C ATOM 353 O LEU A 58 -14.042 5.941 2.385 1.00 0.00 O ATOM 354 CB LEU A 58 -12.835 7.549 0.005 1.00 0.00 C ATOM 355 CG LEU A 58 -12.851 9.007 -0.460 1.00 0.00 C ATOM 356 CD1 LEU A 58 -13.420 9.111 -1.867 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.655 9.864 0.507 1.00 0.00 C ATOM 0 H LEU A 58 -10.426 7.421 0.551 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.685 8.147 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.210 6.973 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.845 7.148 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.826 9.376 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.424 10.155 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.805 8.528 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.439 8.725 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.657 10.898 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.680 9.496 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.205 9.813 1.499 1.00 0.00 H new ATOM 369 N GLY A 59 -12.035 4.989 2.026 1.00 0.00 N ATOM 370 CA GLY A 59 -12.459 3.704 2.554 1.00 0.00 C ATOM 371 C GLY A 59 -13.005 2.767 1.495 1.00 0.00 C ATOM 372 O GLY A 59 -14.044 2.138 1.695 1.00 0.00 O ATOM 0 H GLY A 59 -11.068 5.023 1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.614 3.227 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.224 3.866 3.314 1.00 0.00 H new ATOM 376 N THR A 60 -12.304 2.657 0.370 1.00 0.00 N ATOM 377 CA THR A 60 -12.737 1.772 -0.705 1.00 0.00 C ATOM 378 C THR A 60 -11.543 1.128 -1.401 1.00 0.00 C ATOM 379 O THR A 60 -10.540 1.788 -1.675 1.00 0.00 O ATOM 380 CB THR A 60 -13.577 2.546 -1.722 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.920 3.738 -2.112 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.947 2.925 -1.201 1.00 0.00 C ATOM 0 H THR A 60 -11.440 3.166 0.180 1.00 0.00 H new ATOM 0 HA THR A 60 -13.345 0.981 -0.265 1.00 0.00 H new ATOM 0 HB THR A 60 -13.702 1.870 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.472 4.218 -2.764 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.491 3.472 -1.971 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.499 2.022 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.839 3.554 -0.318 1.00 0.00 H new ATOM 390 N CYS A 61 -11.662 -0.164 -1.695 1.00 0.00 N ATOM 391 CA CYS A 61 -10.599 -0.896 -2.372 1.00 0.00 C ATOM 392 C CYS A 61 -10.741 -0.774 -3.886 1.00 0.00 C ATOM 393 O CYS A 61 -11.853 -0.753 -4.413 1.00 0.00 O ATOM 394 CB CYS A 61 -10.607 -2.368 -1.952 1.00 0.00 C ATOM 395 SG CYS A 61 -9.279 -3.352 -2.686 1.00 0.00 S ATOM 0 H CYS A 61 -12.485 -0.725 -1.474 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.644 -0.458 -2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.530 -2.425 -0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.566 -2.808 -2.227 1.00 0.00 H new ATOM 400 N GLN A 62 -9.612 -0.692 -4.583 1.00 0.00 N ATOM 401 CA GLN A 62 -9.622 -0.569 -6.038 1.00 0.00 C ATOM 402 C GLN A 62 -9.914 -1.910 -6.703 1.00 0.00 C ATOM 403 O GLN A 62 -10.674 -1.982 -7.669 1.00 0.00 O ATOM 404 CB GLN A 62 -8.282 -0.022 -6.534 1.00 0.00 C ATOM 405 CG GLN A 62 -8.415 0.944 -7.700 1.00 0.00 C ATOM 406 CD GLN A 62 -7.634 2.226 -7.488 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.432 2.198 -7.226 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.317 3.360 -7.599 1.00 0.00 N ATOM 0 H GLN A 62 -8.681 -0.708 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.416 0.127 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.777 0.483 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.647 -0.856 -6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.067 0.458 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.468 1.185 -7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.313 3.336 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.845 4.255 -7.466 1.00 0.00 H new ATOM 417 N ASP A 63 -9.302 -2.971 -6.186 1.00 0.00 N ATOM 418 CA ASP A 63 -9.493 -4.308 -6.736 1.00 0.00 C ATOM 419 C ASP A 63 -10.923 -4.795 -6.520 1.00 0.00 C ATOM 420 O ASP A 63 -11.597 -5.209 -7.464 1.00 0.00 O ATOM 421 CB ASP A 63 -8.507 -5.288 -6.099 1.00 0.00 C ATOM 422 CG ASP A 63 -7.071 -4.997 -6.485 1.00 0.00 C ATOM 423 OD1 ASP A 63 -6.791 -3.861 -6.920 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.224 -5.906 -6.351 1.00 0.00 O ATOM 0 H ASP A 63 -8.670 -2.930 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.308 -4.258 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.605 -5.244 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.763 -6.304 -6.401 1.00 0.00 H new ATOM 429 N CYS A 64 -11.379 -4.748 -5.273 1.00 0.00 N ATOM 430 CA CYS A 64 -12.727 -5.190 -4.934 1.00 0.00 C ATOM 431 C CYS A 64 -13.479 -4.109 -4.163 1.00 0.00 C ATOM 432 O CYS A 64 -12.964 -3.012 -3.948 1.00 0.00 O ATOM 433 CB CYS A 64 -12.668 -6.475 -4.106 1.00 0.00 C ATOM 434 SG CYS A 64 -11.822 -6.295 -2.518 1.00 0.00 S ATOM 0 H CYS A 64 -10.835 -4.408 -4.480 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.263 -5.386 -5.863 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.684 -6.825 -3.926 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.164 -7.246 -4.688 1.00 0.00 H new ATOM 439 N LYS A 65 -14.700 -4.430 -3.747 1.00 0.00 N ATOM 440 CA LYS A 65 -15.525 -3.490 -2.996 1.00 0.00 C ATOM 441 C LYS A 65 -15.520 -3.838 -1.511 1.00 0.00 C ATOM 442 O LYS A 65 -16.510 -3.633 -0.808 1.00 0.00 O ATOM 443 CB LYS A 65 -16.960 -3.495 -3.536 1.00 0.00 C ATOM 444 CG LYS A 65 -17.366 -2.186 -4.194 1.00 0.00 C ATOM 445 CD LYS A 65 -18.299 -2.421 -5.370 1.00 0.00 C ATOM 446 CE LYS A 65 -19.034 -1.149 -5.761 1.00 0.00 C ATOM 447 NZ LYS A 65 -20.285 -1.441 -6.517 1.00 0.00 N ATOM 0 H LYS A 65 -15.140 -5.334 -3.917 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.106 -2.491 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.064 -4.304 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.647 -3.709 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.857 -1.546 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.476 -1.657 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.727 -2.788 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.022 -3.196 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.276 -0.579 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.380 -0.524 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -20.757 -0.548 -6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -20.052 -1.963 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -20.920 -2.016 -5.928 1.00 0.00 H new ATOM 461 N VAL A 66 -14.397 -4.369 -1.041 1.00 0.00 N ATOM 462 CA VAL A 66 -14.253 -4.753 0.358 1.00 0.00 C ATOM 463 C VAL A 66 -14.494 -3.566 1.288 1.00 0.00 C ATOM 464 O VAL A 66 -14.984 -3.732 2.406 1.00 0.00 O ATOM 465 CB VAL A 66 -12.853 -5.337 0.632 1.00 0.00 C ATOM 466 CG1 VAL A 66 -11.773 -4.324 0.286 1.00 0.00 C ATOM 467 CG2 VAL A 66 -12.727 -5.791 2.079 1.00 0.00 C ATOM 0 H VAL A 66 -13.570 -4.544 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.005 -5.517 0.557 1.00 0.00 H new ATOM 0 HB VAL A 66 -12.718 -6.210 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.792 -4.755 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.845 -4.061 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.906 -3.428 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.730 -6.199 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -12.888 -4.941 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -13.473 -6.559 2.286 1.00 0.00 H new ATOM 477 N GLN A 67 -14.148 -2.371 0.823 1.00 0.00 N ATOM 478 CA GLN A 67 -14.327 -1.161 1.618 1.00 0.00 C ATOM 479 C GLN A 67 -13.496 -1.222 2.896 1.00 0.00 C ATOM 480 O GLN A 67 -13.106 -2.300 3.343 1.00 0.00 O ATOM 481 CB GLN A 67 -15.804 -0.964 1.965 1.00 0.00 C ATOM 482 CG GLN A 67 -16.692 -0.756 0.748 1.00 0.00 C ATOM 483 CD GLN A 67 -17.368 0.602 0.743 1.00 0.00 C ATOM 484 OE1 GLN A 67 -17.408 1.285 -0.281 1.00 0.00 O ATOM 485 NE2 GLN A 67 -17.903 1.000 1.892 1.00 0.00 N ATOM 0 H GLN A 67 -13.742 -2.214 -0.100 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.986 -0.313 1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.158 -1.834 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.902 -0.104 2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.093 -0.863 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.453 -1.536 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.846 0.401 2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.371 1.905 1.951 1.00 0.00 H new ATOM 494 N GLY A 68 -13.228 -0.058 3.479 1.00 0.00 N ATOM 495 CA GLY A 68 -12.444 -0.004 4.700 1.00 0.00 C ATOM 496 C GLY A 68 -13.283 -0.253 5.941 1.00 0.00 C ATOM 497 O GLY A 68 -14.416 -0.724 5.838 1.00 0.00 O ATOM 0 H GLY A 68 -13.539 0.848 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.647 -0.746 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.966 0.973 4.778 1.00 0.00 H new ATOM 501 N PRO A 69 -12.753 0.053 7.142 1.00 0.00 N ATOM 502 CA PRO A 69 -11.408 0.615 7.314 1.00 0.00 C ATOM 503 C PRO A 69 -10.313 -0.411 7.036 1.00 0.00 C ATOM 504 O PRO A 69 -10.556 -1.437 6.402 1.00 0.00 O ATOM 505 CB PRO A 69 -11.372 1.044 8.790 1.00 0.00 C ATOM 506 CG PRO A 69 -12.777 0.920 9.285 1.00 0.00 C ATOM 507 CD PRO A 69 -13.429 -0.125 8.429 1.00 0.00 C ATOM 0 HA PRO A 69 -11.223 1.433 6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -10.697 0.410 9.365 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.011 2.067 8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.796 0.630 10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.303 1.871 9.207 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.281 -1.128 8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.505 0.030 8.347 1.00 0.00 H new ATOM 515 N ASN A 70 -9.107 -0.126 7.517 1.00 0.00 N ATOM 516 CA ASN A 70 -7.975 -1.024 7.321 1.00 0.00 C ATOM 517 C ASN A 70 -7.684 -1.204 5.834 1.00 0.00 C ATOM 518 O ASN A 70 -7.735 -2.315 5.308 1.00 0.00 O ATOM 519 CB ASN A 70 -8.254 -2.381 7.969 1.00 0.00 C ATOM 520 CG ASN A 70 -8.106 -2.342 9.478 1.00 0.00 C ATOM 521 OD1 ASN A 70 -7.073 -2.734 10.022 1.00 0.00 O ATOM 522 ND2 ASN A 70 -9.140 -1.867 10.162 1.00 0.00 N ATOM 0 H ASN A 70 -8.889 0.719 8.045 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.100 -0.580 7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.264 -2.702 7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.570 -3.124 7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.098 -1.816 11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.976 -1.553 9.670 1.00 0.00 H new ATOM 529 N LEU A 71 -7.381 -0.099 5.160 1.00 0.00 N ATOM 530 CA LEU A 71 -7.083 -0.132 3.734 1.00 0.00 C ATOM 531 C LEU A 71 -5.605 0.136 3.476 1.00 0.00 C ATOM 532 O LEU A 71 -4.945 0.831 4.250 1.00 0.00 O ATOM 533 CB LEU A 71 -7.940 0.897 2.990 1.00 0.00 C ATOM 534 CG LEU A 71 -9.204 0.334 2.338 1.00 0.00 C ATOM 535 CD1 LEU A 71 -9.994 1.443 1.662 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.846 -0.754 1.338 1.00 0.00 C ATOM 0 H LEU A 71 -7.336 0.830 5.579 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.319 -1.129 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.229 1.681 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.330 1.367 2.219 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.828 -0.106 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.890 1.024 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.281 2.189 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.379 1.912 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.757 -1.144 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.202 -0.338 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.322 -1.561 1.850 1.00 0.00 H new ATOM 548 N TRP A 72 -5.091 -0.419 2.384 1.00 0.00 N ATOM 549 CA TRP A 72 -3.691 -0.242 2.021 1.00 0.00 C ATOM 550 C TRP A 72 -3.563 0.286 0.596 1.00 0.00 C ATOM 551 O TRP A 72 -4.367 -0.049 -0.276 1.00 0.00 O ATOM 552 CB TRP A 72 -2.937 -1.565 2.159 1.00 0.00 C ATOM 553 CG TRP A 72 -2.969 -2.122 3.549 1.00 0.00 C ATOM 554 CD1 TRP A 72 -4.072 -2.528 4.245 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.847 -2.334 4.415 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.704 -2.979 5.489 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.344 -2.871 5.617 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.471 -2.124 4.288 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.514 -3.199 6.686 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.353 -2.449 5.349 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.171 -2.982 6.534 1.00 0.00 C ATOM 0 H TRP A 72 -5.625 -0.996 1.734 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.253 0.489 2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.368 -2.294 1.473 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.900 -1.417 1.858 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.085 -2.499 3.872 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.340 -3.336 6.202 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.059 -1.715 3.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.915 -3.609 7.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.418 -2.290 5.263 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.499 -3.227 7.345 1.00 0.00 H new ATOM 572 N ALA A 73 -2.552 1.115 0.365 1.00 0.00 N ATOM 573 CA ALA A 73 -2.325 1.688 -0.957 1.00 0.00 C ATOM 574 C ALA A 73 -0.882 1.485 -1.405 1.00 0.00 C ATOM 575 O ALA A 73 0.048 1.596 -0.606 1.00 0.00 O ATOM 576 CB ALA A 73 -2.679 3.168 -0.954 1.00 0.00 C ATOM 0 H ALA A 73 -1.878 1.405 1.073 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.971 1.172 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.506 3.586 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.729 3.290 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.056 3.690 -0.227 1.00 0.00 H new ATOM 582 N CYS A 74 -0.703 1.192 -2.689 1.00 0.00 N ATOM 583 CA CYS A 74 0.628 0.976 -3.245 1.00 0.00 C ATOM 584 C CYS A 74 1.508 2.205 -3.029 1.00 0.00 C ATOM 585 O CYS A 74 1.084 3.335 -3.272 1.00 0.00 O ATOM 586 CB CYS A 74 0.533 0.649 -4.737 1.00 0.00 C ATOM 587 SG CYS A 74 2.075 0.042 -5.457 1.00 0.00 S ATOM 0 H CYS A 74 -1.462 1.099 -3.364 1.00 0.00 H new ATOM 0 HA CYS A 74 1.083 0.131 -2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.245 -0.100 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.220 1.544 -5.275 1.00 0.00 H new ATOM 592 N LEU A 75 2.730 1.977 -2.557 1.00 0.00 N ATOM 593 CA LEU A 75 3.663 3.069 -2.292 1.00 0.00 C ATOM 594 C LEU A 75 4.506 3.412 -3.521 1.00 0.00 C ATOM 595 O LEU A 75 5.207 4.424 -3.533 1.00 0.00 O ATOM 596 CB LEU A 75 4.577 2.706 -1.121 1.00 0.00 C ATOM 597 CG LEU A 75 5.386 3.869 -0.546 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.603 4.571 0.553 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.726 3.376 -0.019 1.00 0.00 C ATOM 0 H LEU A 75 3.097 1.048 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 75 3.073 3.949 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.969 2.278 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.268 1.929 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 75 5.574 4.587 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.194 5.396 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.669 4.957 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.384 3.863 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.289 4.217 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.559 2.638 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.291 2.919 -0.832 1.00 0.00 H new ATOM 611 N GLU A 76 4.439 2.574 -4.553 1.00 0.00 N ATOM 612 CA GLU A 76 5.205 2.810 -5.775 1.00 0.00 C ATOM 613 C GLU A 76 4.930 4.204 -6.330 1.00 0.00 C ATOM 614 O GLU A 76 3.803 4.697 -6.268 1.00 0.00 O ATOM 615 CB GLU A 76 4.868 1.753 -6.826 1.00 0.00 C ATOM 616 CG GLU A 76 6.065 1.314 -7.654 1.00 0.00 C ATOM 617 CD GLU A 76 6.152 2.039 -8.984 1.00 0.00 C ATOM 618 OE1 GLU A 76 5.357 1.712 -9.891 1.00 0.00 O ATOM 619 OE2 GLU A 76 7.014 2.933 -9.117 1.00 0.00 O ATOM 0 H GLU A 76 3.866 1.730 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 76 6.264 2.740 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.442 0.882 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.101 2.147 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.979 1.492 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.004 0.240 -7.833 1.00 0.00 H new ATOM 626 N ASN A 77 5.966 4.836 -6.869 1.00 0.00 N ATOM 627 CA ASN A 77 5.839 6.176 -7.433 1.00 0.00 C ATOM 628 C ASN A 77 5.007 6.158 -8.710 1.00 0.00 C ATOM 629 O ASN A 77 4.152 7.019 -8.918 1.00 0.00 O ATOM 630 CB ASN A 77 7.223 6.761 -7.720 1.00 0.00 C ATOM 631 CG ASN A 77 7.161 8.185 -8.210 1.00 0.00 C ATOM 632 OD1 ASN A 77 6.085 8.770 -8.340 1.00 0.00 O ATOM 633 ND2 ASN A 77 8.323 8.750 -8.486 1.00 0.00 N ATOM 0 H ASN A 77 6.905 4.442 -6.928 1.00 0.00 H new ATOM 0 HA ASN A 77 5.329 6.803 -6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.826 6.719 -6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.726 6.146 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.355 9.712 -8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.188 8.224 -8.362 1.00 0.00 H new ATOM 640 N ARG A 78 5.266 5.174 -9.560 1.00 0.00 N ATOM 641 CA ARG A 78 4.546 5.042 -10.821 1.00 0.00 C ATOM 642 C ARG A 78 3.189 4.375 -10.614 1.00 0.00 C ATOM 643 O ARG A 78 2.280 4.532 -11.429 1.00 0.00 O ATOM 644 CB ARG A 78 5.374 4.234 -11.823 1.00 0.00 C ATOM 645 CG ARG A 78 4.968 4.460 -13.271 1.00 0.00 C ATOM 646 CD ARG A 78 5.708 3.521 -14.210 1.00 0.00 C ATOM 647 NE ARG A 78 6.818 4.187 -14.888 1.00 0.00 N ATOM 648 CZ ARG A 78 6.671 4.988 -15.941 1.00 0.00 C ATOM 649 NH1 ARG A 78 5.465 5.224 -16.442 1.00 0.00 N ATOM 650 NH2 ARG A 78 7.734 5.553 -16.497 1.00 0.00 N ATOM 0 H ARG A 78 5.970 4.454 -9.400 1.00 0.00 H new ATOM 0 HA ARG A 78 4.379 6.044 -11.217 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.426 4.493 -11.705 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.279 3.174 -11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.894 4.310 -13.376 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.174 5.493 -13.551 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.087 2.669 -13.646 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.013 3.129 -14.952 1.00 0.00 H new ATOM 0 HE ARG A 78 7.761 4.029 -14.533 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.644 4.791 -16.020 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.359 5.839 -17.249 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.664 5.374 -16.118 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.622 6.167 -17.304 1.00 0.00 H new ATOM 664 N CYS A 79 3.057 3.628 -9.522 1.00 0.00 N ATOM 665 CA CYS A 79 1.810 2.937 -9.217 1.00 0.00 C ATOM 666 C CYS A 79 1.005 3.690 -8.162 1.00 0.00 C ATOM 667 O CYS A 79 1.567 4.366 -7.301 1.00 0.00 O ATOM 668 CB CYS A 79 2.098 1.515 -8.733 1.00 0.00 C ATOM 669 SG CYS A 79 0.843 0.304 -9.209 1.00 0.00 S ATOM 0 H CYS A 79 3.797 3.486 -8.835 1.00 0.00 H new ATOM 0 HA CYS A 79 1.219 2.894 -10.132 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.063 1.197 -9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.186 1.523 -7.647 1.00 0.00 H new ATOM 674 N SER A 80 -0.315 3.561 -8.235 1.00 0.00 N ATOM 675 CA SER A 80 -1.207 4.219 -7.288 1.00 0.00 C ATOM 676 C SER A 80 -2.484 3.404 -7.106 1.00 0.00 C ATOM 677 O SER A 80 -3.588 3.949 -7.095 1.00 0.00 O ATOM 678 CB SER A 80 -1.550 5.630 -7.772 1.00 0.00 C ATOM 679 OG SER A 80 -0.448 6.506 -7.610 1.00 0.00 O ATOM 0 H SER A 80 -0.793 3.004 -8.944 1.00 0.00 H new ATOM 0 HA SER A 80 -0.697 4.291 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.841 5.597 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.406 6.011 -7.215 1.00 0.00 H new ATOM 0 HG SER A 80 0.342 5.992 -7.342 1.00 0.00 H new ATOM 685 N TYR A 81 -2.320 2.093 -6.972 1.00 0.00 N ATOM 686 CA TYR A 81 -3.452 1.189 -6.801 1.00 0.00 C ATOM 687 C TYR A 81 -3.835 1.053 -5.331 1.00 0.00 C ATOM 688 O TYR A 81 -2.984 1.133 -4.445 1.00 0.00 O ATOM 689 CB TYR A 81 -3.116 -0.186 -7.380 1.00 0.00 C ATOM 690 CG TYR A 81 -3.623 -0.390 -8.790 1.00 0.00 C ATOM 691 CD1 TYR A 81 -2.796 -0.172 -9.884 1.00 0.00 C ATOM 692 CD2 TYR A 81 -4.930 -0.799 -9.026 1.00 0.00 C ATOM 693 CE1 TYR A 81 -3.257 -0.357 -11.175 1.00 0.00 C ATOM 694 CE2 TYR A 81 -5.397 -0.988 -10.312 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.557 -0.765 -11.383 1.00 0.00 C ATOM 696 OH TYR A 81 -5.020 -0.951 -12.666 1.00 0.00 O ATOM 0 H TYR A 81 -1.411 1.631 -6.978 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.303 1.610 -7.336 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.034 -0.321 -7.369 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.540 -0.956 -6.735 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.777 0.147 -9.724 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.592 -0.972 -8.190 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.602 -0.183 -12.016 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.415 -1.309 -10.478 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.956 -1.240 -12.637 1.00 0.00 H new ATOM 706 N VAL A 82 -5.124 0.839 -5.082 1.00 0.00 N ATOM 707 CA VAL A 82 -5.626 0.682 -3.721 1.00 0.00 C ATOM 708 C VAL A 82 -6.034 -0.764 -3.461 1.00 0.00 C ATOM 709 O VAL A 82 -6.876 -1.316 -4.169 1.00 0.00 O ATOM 710 CB VAL A 82 -6.836 1.599 -3.449 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.038 1.784 -1.953 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.662 2.944 -4.139 1.00 0.00 C ATOM 0 H VAL A 82 -5.840 0.770 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.815 0.964 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.726 1.122 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.896 2.434 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.217 0.815 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.146 2.236 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.528 3.573 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.762 3.431 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.572 2.792 -5.215 1.00 0.00 H new ATOM 722 N GLY A 83 -5.430 -1.375 -2.447 1.00 0.00 N ATOM 723 CA GLY A 83 -5.745 -2.753 -2.123 1.00 0.00 C ATOM 724 C GLY A 83 -5.965 -2.972 -0.639 1.00 0.00 C ATOM 725 O GLY A 83 -5.592 -2.137 0.183 1.00 0.00 O ATOM 0 H GLY A 83 -4.730 -0.941 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.641 -3.054 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.934 -3.396 -2.464 1.00 0.00 H new ATOM 729 N CYS A 84 -6.570 -4.106 -0.298 1.00 0.00 N ATOM 730 CA CYS A 84 -6.836 -4.442 1.096 1.00 0.00 C ATOM 731 C CYS A 84 -5.841 -5.483 1.599 1.00 0.00 C ATOM 732 O CYS A 84 -5.494 -6.423 0.883 1.00 0.00 O ATOM 733 CB CYS A 84 -8.269 -4.958 1.261 1.00 0.00 C ATOM 734 SG CYS A 84 -8.771 -6.183 0.027 1.00 0.00 S ATOM 0 H CYS A 84 -6.885 -4.807 -0.968 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.720 -3.536 1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.372 -5.397 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.954 -4.112 1.214 1.00 0.00 H new ATOM 739 N GLY A 85 -5.377 -5.302 2.832 1.00 0.00 N ATOM 740 CA GLY A 85 -4.418 -6.226 3.411 1.00 0.00 C ATOM 741 C GLY A 85 -4.984 -7.619 3.602 1.00 0.00 C ATOM 742 O GLY A 85 -6.116 -7.898 3.208 1.00 0.00 O ATOM 0 H GLY A 85 -5.649 -4.530 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.540 -6.281 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.084 -5.840 4.374 1.00 0.00 H new ATOM 746 N GLU A 86 -4.190 -8.496 4.209 1.00 0.00 N ATOM 747 CA GLU A 86 -4.609 -9.872 4.457 1.00 0.00 C ATOM 748 C GLU A 86 -5.857 -9.919 5.334 1.00 0.00 C ATOM 749 O GLU A 86 -6.573 -10.921 5.356 1.00 0.00 O ATOM 750 CB GLU A 86 -3.477 -10.660 5.120 1.00 0.00 C ATOM 751 CG GLU A 86 -2.929 -9.997 6.373 1.00 0.00 C ATOM 752 CD GLU A 86 -1.538 -9.426 6.171 1.00 0.00 C ATOM 753 OE1 GLU A 86 -0.609 -10.211 5.889 1.00 0.00 O ATOM 754 OE2 GLU A 86 -1.380 -8.193 6.294 1.00 0.00 O ATOM 0 H GLU A 86 -3.250 -8.277 4.539 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.849 -10.327 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.839 -11.656 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.666 -10.789 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.604 -9.199 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.904 -10.725 7.184 1.00 0.00 H new ATOM 761 N SER A 87 -6.115 -8.834 6.058 1.00 0.00 N ATOM 762 CA SER A 87 -7.277 -8.761 6.935 1.00 0.00 C ATOM 763 C SER A 87 -8.574 -8.878 6.138 1.00 0.00 C ATOM 764 O SER A 87 -9.623 -9.206 6.692 1.00 0.00 O ATOM 765 CB SER A 87 -7.266 -7.450 7.722 1.00 0.00 C ATOM 766 OG SER A 87 -6.270 -7.469 8.731 1.00 0.00 O ATOM 0 H SER A 87 -5.535 -7.995 6.054 1.00 0.00 H new ATOM 0 HA SER A 87 -7.225 -9.597 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.085 -6.616 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.244 -7.286 8.175 1.00 0.00 H new ATOM 0 HG SER A 87 -6.282 -6.619 9.219 1.00 0.00 H new ATOM 772 N GLN A 88 -8.497 -8.608 4.837 1.00 0.00 N ATOM 773 CA GLN A 88 -9.668 -8.686 3.973 1.00 0.00 C ATOM 774 C GLN A 88 -9.476 -9.737 2.883 1.00 0.00 C ATOM 775 O GLN A 88 -10.148 -10.768 2.877 1.00 0.00 O ATOM 776 CB GLN A 88 -9.956 -7.322 3.341 1.00 0.00 C ATOM 777 CG GLN A 88 -9.812 -6.159 4.308 1.00 0.00 C ATOM 778 CD GLN A 88 -10.732 -6.281 5.506 1.00 0.00 C ATOM 779 OE1 GLN A 88 -11.992 -6.615 5.252 1.00 0.00 O flip ATOM 780 NE2 GLN A 88 -10.317 -6.076 6.647 1.00 0.00 N flip ATOM 0 H GLN A 88 -7.638 -8.334 4.361 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.519 -8.980 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.279 -7.170 2.501 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.969 -7.325 2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.779 -6.103 4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.025 -5.227 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.341 -5.821 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.950 -6.161 7.443 1.00 0.00 H new ATOM 789 N VAL A 89 -8.556 -9.468 1.959 1.00 0.00 N ATOM 790 CA VAL A 89 -8.284 -10.395 0.865 1.00 0.00 C ATOM 791 C VAL A 89 -6.805 -10.391 0.479 1.00 0.00 C ATOM 792 O VAL A 89 -6.437 -10.870 -0.595 1.00 0.00 O ATOM 793 CB VAL A 89 -9.124 -10.052 -0.381 1.00 0.00 C ATOM 794 CG1 VAL A 89 -9.028 -11.164 -1.414 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.573 -9.795 0.003 1.00 0.00 C ATOM 0 H VAL A 89 -7.989 -8.620 1.946 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.557 -11.387 1.224 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.724 -9.140 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.628 -10.903 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.988 -11.293 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.399 -12.094 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.149 -9.555 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.988 -10.686 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.622 -8.960 0.702 1.00 0.00 H new ATOM 805 N ASP A 90 -5.958 -9.852 1.354 1.00 0.00 N ATOM 806 CA ASP A 90 -4.522 -9.793 1.094 1.00 0.00 C ATOM 807 C ASP A 90 -4.236 -9.253 -0.306 1.00 0.00 C ATOM 808 O ASP A 90 -3.214 -9.577 -0.914 1.00 0.00 O ATOM 809 CB ASP A 90 -3.898 -11.181 1.254 1.00 0.00 C ATOM 810 CG ASP A 90 -2.548 -11.139 1.945 1.00 0.00 C ATOM 811 OD1 ASP A 90 -1.910 -12.206 2.066 1.00 0.00 O ATOM 812 OD2 ASP A 90 -2.128 -10.039 2.364 1.00 0.00 O ATOM 0 H ASP A 90 -6.241 -9.451 2.248 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.077 -9.113 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.575 -11.816 1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.785 -11.640 0.272 1.00 0.00 H new ATOM 817 N HIS A 91 -5.144 -8.420 -0.809 1.00 0.00 N ATOM 818 CA HIS A 91 -4.995 -7.828 -2.133 1.00 0.00 C ATOM 819 C HIS A 91 -3.649 -7.125 -2.262 1.00 0.00 C ATOM 820 O HIS A 91 -3.008 -7.174 -3.311 1.00 0.00 O ATOM 821 CB HIS A 91 -6.131 -6.839 -2.399 1.00 0.00 C ATOM 822 CG HIS A 91 -7.214 -7.389 -3.274 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.495 -6.890 -3.230 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.161 -8.390 -4.187 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.186 -7.591 -4.109 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.420 -8.512 -4.715 1.00 0.00 N ATOM 0 H HIS A 91 -5.992 -8.140 -0.317 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.039 -8.627 -2.873 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.565 -6.533 -1.447 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.720 -5.943 -2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.294 -8.978 -4.448 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.236 -7.442 -4.315 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.718 -9.175 -5.431 1.00 0.00 H new ATOM 834 N SER A 92 -3.224 -6.476 -1.183 1.00 0.00 N ATOM 835 CA SER A 92 -1.950 -5.769 -1.173 1.00 0.00 C ATOM 836 C SER A 92 -0.802 -6.725 -1.483 1.00 0.00 C ATOM 837 O SER A 92 0.150 -6.366 -2.177 1.00 0.00 O ATOM 838 CB SER A 92 -1.723 -5.101 0.184 1.00 0.00 C ATOM 839 OG SER A 92 -0.595 -4.244 0.148 1.00 0.00 O ATOM 0 H SER A 92 -3.743 -6.425 -0.306 1.00 0.00 H new ATOM 0 HA SER A 92 -1.980 -5.000 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.608 -4.530 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.580 -5.864 0.949 1.00 0.00 H new ATOM 0 HG SER A 92 -0.050 -4.454 -0.639 1.00 0.00 H new ATOM 845 N THR A 93 -0.903 -7.947 -0.969 1.00 0.00 N ATOM 846 CA THR A 93 0.125 -8.955 -1.195 1.00 0.00 C ATOM 847 C THR A 93 0.097 -9.436 -2.641 1.00 0.00 C ATOM 848 O THR A 93 1.128 -9.477 -3.312 1.00 0.00 O ATOM 849 CB THR A 93 -0.069 -10.136 -0.242 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.009 -9.707 1.106 1.00 0.00 O ATOM 851 CG2 THR A 93 0.963 -11.229 -0.422 1.00 0.00 C ATOM 0 H THR A 93 -1.685 -8.262 -0.395 1.00 0.00 H new ATOM 0 HA THR A 93 1.097 -8.502 -1.000 1.00 0.00 H new ATOM 0 HB THR A 93 -1.051 -10.543 -0.485 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.906 -9.455 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.766 -12.035 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.908 -11.617 -1.439 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.958 -10.823 -0.241 1.00 0.00 H new ATOM 859 N ILE A 94 -1.090 -9.789 -3.122 1.00 0.00 N ATOM 860 CA ILE A 94 -1.241 -10.255 -4.496 1.00 0.00 C ATOM 861 C ILE A 94 -0.729 -9.204 -5.470 1.00 0.00 C ATOM 862 O ILE A 94 0.093 -9.494 -6.339 1.00 0.00 O ATOM 863 CB ILE A 94 -2.708 -10.586 -4.845 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.397 -11.292 -3.674 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.766 -11.441 -6.103 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.759 -11.862 -4.018 1.00 0.00 C ATOM 0 H ILE A 94 -1.957 -9.762 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.655 -11.170 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.241 -9.654 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.755 -12.099 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.506 -10.587 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.805 -11.669 -6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.315 -10.898 -6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.220 -12.370 -5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.184 -12.346 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.419 -11.057 -4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.656 -12.593 -4.820 1.00 0.00 H new ATOM 878 N HIS A 95 -1.211 -7.977 -5.306 1.00 0.00 N ATOM 879 CA HIS A 95 -0.790 -6.874 -6.160 1.00 0.00 C ATOM 880 C HIS A 95 0.720 -6.682 -6.061 1.00 0.00 C ATOM 881 O HIS A 95 1.388 -6.389 -7.052 1.00 0.00 O ATOM 882 CB HIS A 95 -1.514 -5.583 -5.762 1.00 0.00 C ATOM 883 CG HIS A 95 -0.988 -4.359 -6.450 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.680 -3.664 -7.416 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.192 -3.708 -6.291 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.915 -2.636 -7.809 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.232 -2.617 -7.156 1.00 0.00 N ATOM 0 H HIS A 95 -1.892 -7.722 -4.591 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.049 -7.113 -7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.575 -5.688 -5.988 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.429 -5.447 -4.684 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.609 -3.891 -7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.975 -3.991 -5.603 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.200 -1.916 -8.562 1.00 0.00 H new ATOM 895 N SER A 96 1.248 -6.858 -4.853 1.00 0.00 N ATOM 896 CA SER A 96 2.678 -6.715 -4.617 1.00 0.00 C ATOM 897 C SER A 96 3.471 -7.673 -5.502 1.00 0.00 C ATOM 898 O SER A 96 4.488 -7.302 -6.080 1.00 0.00 O ATOM 899 CB SER A 96 2.999 -6.970 -3.142 1.00 0.00 C ATOM 900 OG SER A 96 4.332 -7.422 -2.977 1.00 0.00 O ATOM 0 H SER A 96 0.706 -7.100 -4.024 1.00 0.00 H new ATOM 0 HA SER A 96 2.967 -5.695 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.850 -6.053 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.309 -7.712 -2.740 1.00 0.00 H new ATOM 0 HG SER A 96 4.581 -7.367 -2.031 1.00 0.00 H new ATOM 906 N GLN A 97 3.004 -8.909 -5.606 1.00 0.00 N ATOM 907 CA GLN A 97 3.684 -9.903 -6.426 1.00 0.00 C ATOM 908 C GLN A 97 3.527 -9.585 -7.911 1.00 0.00 C ATOM 909 O GLN A 97 4.501 -9.584 -8.664 1.00 0.00 O ATOM 910 CB GLN A 97 3.140 -11.301 -6.128 1.00 0.00 C ATOM 911 CG GLN A 97 3.701 -11.913 -4.854 1.00 0.00 C ATOM 912 CD GLN A 97 3.162 -11.245 -3.604 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.292 -11.787 -2.923 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.679 -10.061 -3.295 1.00 0.00 N ATOM 0 H GLN A 97 2.163 -9.246 -5.137 1.00 0.00 H new ATOM 0 HA GLN A 97 4.745 -9.876 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.054 -11.250 -6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.368 -11.957 -6.968 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.459 -12.975 -4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.788 -11.834 -4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.399 -9.648 -3.888 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.356 -9.565 -2.465 1.00 0.00 H new ATOM 923 N GLU A 98 2.292 -9.318 -8.324 1.00 0.00 N ATOM 924 CA GLU A 98 1.992 -9.006 -9.720 1.00 0.00 C ATOM 925 C GLU A 98 2.937 -7.946 -10.287 1.00 0.00 C ATOM 926 O GLU A 98 3.483 -8.113 -11.377 1.00 0.00 O ATOM 927 CB GLU A 98 0.543 -8.531 -9.852 1.00 0.00 C ATOM 928 CG GLU A 98 -0.443 -9.656 -10.116 1.00 0.00 C ATOM 929 CD GLU A 98 -1.546 -9.251 -11.076 1.00 0.00 C ATOM 930 OE1 GLU A 98 -2.719 -9.584 -10.806 1.00 0.00 O ATOM 931 OE2 GLU A 98 -1.235 -8.601 -12.096 1.00 0.00 O ATOM 0 H GLU A 98 1.478 -9.311 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 98 2.135 -9.920 -10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.254 -8.013 -8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.480 -7.805 -10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.091 -10.514 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.886 -9.975 -9.173 1.00 0.00 H new ATOM 938 N THR A 99 3.115 -6.852 -9.554 1.00 0.00 N ATOM 939 CA THR A 99 3.985 -5.769 -10.006 1.00 0.00 C ATOM 940 C THR A 99 5.290 -5.718 -9.214 1.00 0.00 C ATOM 941 O THR A 99 6.042 -4.749 -9.310 1.00 0.00 O ATOM 942 CB THR A 99 3.261 -4.427 -9.887 1.00 0.00 C ATOM 943 OG1 THR A 99 2.797 -4.225 -8.564 1.00 0.00 O ATOM 944 CG2 THR A 99 2.071 -4.305 -10.814 1.00 0.00 C ATOM 0 H THR A 99 2.672 -6.691 -8.649 1.00 0.00 H new ATOM 0 HA THR A 99 4.232 -5.964 -11.050 1.00 0.00 H new ATOM 0 HB THR A 99 3.998 -3.674 -10.167 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.491 -3.299 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.603 -3.330 -10.679 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.403 -4.408 -11.847 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.349 -5.089 -10.584 1.00 0.00 H new ATOM 952 N LYS A 100 5.560 -6.759 -8.435 1.00 0.00 N ATOM 953 CA LYS A 100 6.781 -6.813 -7.636 1.00 0.00 C ATOM 954 C LYS A 100 6.874 -5.622 -6.679 1.00 0.00 C ATOM 955 O LYS A 100 7.959 -5.273 -6.217 1.00 0.00 O ATOM 956 CB LYS A 100 8.008 -6.844 -8.548 1.00 0.00 C ATOM 957 CG LYS A 100 8.266 -8.206 -9.174 1.00 0.00 C ATOM 958 CD LYS A 100 9.632 -8.750 -8.787 1.00 0.00 C ATOM 959 CE LYS A 100 9.879 -10.120 -9.395 1.00 0.00 C ATOM 960 NZ LYS A 100 9.079 -11.181 -8.722 1.00 0.00 N ATOM 0 H LYS A 100 4.954 -7.574 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 100 6.750 -7.726 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.880 -6.107 -9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.885 -6.545 -7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.492 -8.905 -8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.199 -8.127 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.407 -8.059 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.705 -8.814 -7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.630 -10.096 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.939 -10.364 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.327 -12.109 -9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.284 -11.177 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.066 -10.999 -8.872 1.00 0.00 H new ATOM 974 N HIS A 101 5.730 -5.016 -6.372 1.00 0.00 N ATOM 975 CA HIS A 101 5.684 -3.883 -5.454 1.00 0.00 C ATOM 976 C HIS A 101 5.568 -4.382 -4.017 1.00 0.00 C ATOM 977 O HIS A 101 4.474 -4.691 -3.546 1.00 0.00 O ATOM 978 CB HIS A 101 4.501 -2.971 -5.787 1.00 0.00 C ATOM 979 CG HIS A 101 4.541 -2.412 -7.176 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.443 -1.807 -7.737 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.561 -2.392 -8.067 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.815 -1.433 -8.948 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.091 -1.766 -9.193 1.00 0.00 N ATOM 0 H HIS A 101 4.822 -5.291 -6.746 1.00 0.00 H new ATOM 0 HA HIS A 101 6.605 -3.311 -5.561 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.575 -3.531 -5.657 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.478 -2.147 -5.074 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.553 -2.792 -7.919 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.173 -0.924 -9.652 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.612 -1.588 -10.052 1.00 0.00 H new ATOM 991 N TYR A 102 6.702 -4.472 -3.331 1.00 0.00 N ATOM 992 CA TYR A 102 6.725 -4.951 -1.953 1.00 0.00 C ATOM 993 C TYR A 102 6.608 -3.805 -0.952 1.00 0.00 C ATOM 994 O TYR A 102 7.071 -3.915 0.183 1.00 0.00 O ATOM 995 CB TYR A 102 8.011 -5.732 -1.687 1.00 0.00 C ATOM 996 CG TYR A 102 8.303 -6.792 -2.722 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.434 -6.712 -3.524 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.448 -7.873 -2.897 1.00 0.00 C ATOM 999 CE1 TYR A 102 9.706 -7.681 -4.472 1.00 0.00 C ATOM 1000 CE2 TYR A 102 7.713 -8.845 -3.841 1.00 0.00 C ATOM 1001 CZ TYR A 102 8.842 -8.745 -4.626 1.00 0.00 C ATOM 1002 OH TYR A 102 9.109 -9.712 -5.569 1.00 0.00 O ATOM 0 H TYR A 102 7.617 -4.220 -3.706 1.00 0.00 H new ATOM 0 HA TYR A 102 5.863 -5.605 -1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.848 -5.034 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.943 -6.203 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.112 -5.880 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.562 -7.954 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.590 -7.605 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.039 -9.680 -3.964 1.00 0.00 H new ATOM 0 HH TYR A 102 8.404 -10.392 -5.549 1.00 0.00 H new ATOM 1012 N LEU A 103 5.990 -2.707 -1.371 1.00 0.00 N ATOM 1013 CA LEU A 103 5.823 -1.553 -0.494 1.00 0.00 C ATOM 1014 C LEU A 103 4.376 -1.079 -0.485 1.00 0.00 C ATOM 1015 O LEU A 103 3.829 -0.696 -1.519 1.00 0.00 O ATOM 1016 CB LEU A 103 6.741 -0.413 -0.929 1.00 0.00 C ATOM 1017 CG LEU A 103 8.152 -0.463 -0.345 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.110 -0.315 1.169 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.845 -1.759 -0.740 1.00 0.00 C ATOM 0 H LEU A 103 5.599 -2.591 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 103 6.092 -1.860 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.813 -0.419 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.280 0.533 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 103 8.724 0.370 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.124 -0.353 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.654 0.640 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.522 -1.126 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.849 -1.779 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.274 -2.607 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.909 -1.821 -1.826 1.00 0.00 H new ATOM 1031 N THR A 104 3.763 -1.105 0.691 1.00 0.00 N ATOM 1032 CA THR A 104 2.378 -0.675 0.838 1.00 0.00 C ATOM 1033 C THR A 104 2.193 0.139 2.113 1.00 0.00 C ATOM 1034 O THR A 104 2.783 -0.170 3.147 1.00 0.00 O ATOM 1035 CB THR A 104 1.446 -1.888 0.850 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.093 -1.479 0.929 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.709 -2.833 2.002 1.00 0.00 C ATOM 0 H THR A 104 4.202 -1.419 1.556 1.00 0.00 H new ATOM 0 HA THR A 104 2.127 -0.041 -0.013 1.00 0.00 H new ATOM 0 HB THR A 104 1.645 -2.415 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.490 -2.229 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.014 -3.671 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.732 -3.206 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.571 -2.304 2.945 1.00 0.00 H new ATOM 1045 N VAL A 105 1.372 1.179 2.034 1.00 0.00 N ATOM 1046 CA VAL A 105 1.115 2.035 3.186 1.00 0.00 C ATOM 1047 C VAL A 105 -0.366 2.040 3.550 1.00 0.00 C ATOM 1048 O VAL A 105 -1.213 2.436 2.749 1.00 0.00 O ATOM 1049 CB VAL A 105 1.580 3.483 2.927 1.00 0.00 C ATOM 1050 CG1 VAL A 105 0.798 4.108 1.778 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.447 4.321 4.191 1.00 0.00 C ATOM 0 H VAL A 105 0.874 1.450 1.186 1.00 0.00 H new ATOM 0 HA VAL A 105 1.686 1.624 4.019 1.00 0.00 H new ATOM 0 HB VAL A 105 2.632 3.457 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.144 5.129 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.953 3.523 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.264 4.120 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.780 5.339 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.405 4.336 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.061 3.888 4.981 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.669 1.595 4.766 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.047 1.548 5.243 1.00 0.00 C ATOM 1063 C ASN A 106 -2.558 2.949 5.554 1.00 0.00 C ATOM 1064 O ASN A 106 -1.986 3.659 6.378 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.150 0.666 6.489 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.097 1.007 7.527 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.241 1.969 8.282 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.031 0.217 7.568 1.00 0.00 N ATOM 0 H ASN A 106 0.021 1.262 5.439 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.665 1.120 4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.141 0.778 6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.046 -0.380 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.711 0.396 8.245 1.00 0.00 H new ATOM 0 HD22 ASN A 106 0.046 -0.569 6.923 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.636 3.343 4.885 1.00 0.00 N ATOM 1076 CA LEU A 107 -4.223 4.664 5.086 1.00 0.00 C ATOM 1077 C LEU A 107 -4.933 4.767 6.436 1.00 0.00 C ATOM 1078 O LEU A 107 -5.335 5.854 6.851 1.00 0.00 O ATOM 1079 CB LEU A 107 -5.206 4.980 3.958 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.722 4.603 2.555 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.792 3.816 1.812 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.335 5.849 1.772 1.00 0.00 C ATOM 0 H LEU A 107 -4.122 2.766 4.198 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.411 5.391 5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.143 4.459 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.426 6.047 3.976 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.840 3.971 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.429 3.558 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.021 2.904 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.694 4.422 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.993 5.562 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.200 6.506 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.534 6.372 2.294 1.00 0.00 H new ATOM 1094 N THR A 108 -5.095 3.634 7.115 1.00 0.00 N ATOM 1095 CA THR A 108 -5.769 3.611 8.409 1.00 0.00 C ATOM 1096 C THR A 108 -4.822 4.006 9.540 1.00 0.00 C ATOM 1097 O THR A 108 -5.239 4.622 10.521 1.00 0.00 O ATOM 1098 CB THR A 108 -6.353 2.222 8.677 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.715 1.589 7.462 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.578 2.249 9.564 1.00 0.00 C ATOM 0 H THR A 108 -4.770 2.723 6.791 1.00 0.00 H new ATOM 0 HA THR A 108 -6.577 4.342 8.376 1.00 0.00 H new ATOM 0 HB THR A 108 -5.566 1.671 9.191 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.953 1.077 7.120 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.941 1.232 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.320 2.688 10.528 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.357 2.846 9.090 1.00 0.00 H new ATOM 1108 N THR A 109 -3.550 3.648 9.402 1.00 0.00 N ATOM 1109 CA THR A 109 -2.552 3.967 10.421 1.00 0.00 C ATOM 1110 C THR A 109 -1.440 4.856 9.864 1.00 0.00 C ATOM 1111 O THR A 109 -0.559 5.295 10.603 1.00 0.00 O ATOM 1112 CB THR A 109 -1.950 2.683 10.993 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.843 1.595 10.833 1.00 0.00 O ATOM 1114 CG2 THR A 109 -1.609 2.785 12.464 1.00 0.00 C ATOM 0 H THR A 109 -3.185 3.138 8.598 1.00 0.00 H new ATOM 0 HA THR A 109 -3.058 4.517 11.215 1.00 0.00 H new ATOM 0 HB THR A 109 -1.028 2.523 10.433 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.716 1.195 9.947 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.186 1.840 12.806 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.882 3.583 12.615 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.513 3.005 13.033 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.480 5.117 8.560 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.471 5.950 7.916 1.00 0.00 C ATOM 1124 C LEU A 110 0.922 5.347 8.082 1.00 0.00 C ATOM 1125 O LEU A 110 1.910 6.070 8.210 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.499 7.365 8.498 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.675 8.229 8.041 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.645 9.581 8.736 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -1.651 8.403 6.530 1.00 0.00 C ATOM 0 H LEU A 110 -2.200 4.764 7.930 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.702 5.997 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.521 7.294 9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.429 7.870 8.230 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.601 7.724 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.489 10.182 8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.710 9.437 9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.714 10.094 8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.495 9.020 6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.720 8.887 6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.721 7.427 6.050 1.00 0.00 H new ATOM 1141 N ARG A 111 0.993 4.019 8.078 1.00 0.00 N ATOM 1142 CA ARG A 111 2.265 3.321 8.228 1.00 0.00 C ATOM 1143 C ARG A 111 2.625 2.561 6.955 1.00 0.00 C ATOM 1144 O ARG A 111 1.747 2.143 6.200 1.00 0.00 O ATOM 1145 CB ARG A 111 2.201 2.354 9.412 1.00 0.00 C ATOM 1146 CG ARG A 111 2.430 3.025 10.757 1.00 0.00 C ATOM 1147 CD ARG A 111 2.832 2.016 11.821 1.00 0.00 C ATOM 1148 NE ARG A 111 4.279 1.817 11.867 1.00 0.00 N ATOM 1149 CZ ARG A 111 4.919 1.277 12.902 1.00 0.00 C ATOM 1150 NH1 ARG A 111 4.247 0.883 13.976 1.00 0.00 N ATOM 1151 NH2 ARG A 111 6.237 1.131 12.861 1.00 0.00 N ATOM 0 H ARG A 111 0.185 3.405 7.973 1.00 0.00 H new ATOM 0 HA ARG A 111 3.039 4.065 8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.226 1.866 9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.948 1.572 9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.208 3.782 10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.521 3.540 11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.482 2.357 12.795 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.341 1.063 11.621 1.00 0.00 H new ATOM 0 HE ARG A 111 4.830 2.109 11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.234 0.993 14.012 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.744 0.470 14.765 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.758 1.432 12.038 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.729 0.718 13.653 1.00 0.00 H new ATOM 1165 N VAL A 112 3.923 2.387 6.723 1.00 0.00 N ATOM 1166 CA VAL A 112 4.403 1.677 5.542 1.00 0.00 C ATOM 1167 C VAL A 112 4.846 0.260 5.896 1.00 0.00 C ATOM 1168 O VAL A 112 5.291 0.000 7.014 1.00 0.00 O ATOM 1169 CB VAL A 112 5.578 2.419 4.877 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.949 1.760 3.557 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.234 3.888 4.668 1.00 0.00 C ATOM 0 H VAL A 112 4.662 2.728 7.338 1.00 0.00 H new ATOM 0 HA VAL A 112 3.570 1.631 4.841 1.00 0.00 H new ATOM 0 HB VAL A 112 6.441 2.362 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.781 2.298 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.241 0.725 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.091 1.783 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.076 4.395 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.357 3.969 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.023 4.353 5.631 1.00 0.00 H new ATOM 1181 N TRP A 113 4.716 -0.654 4.939 1.00 0.00 N ATOM 1182 CA TRP A 113 5.099 -2.045 5.156 1.00 0.00 C ATOM 1183 C TRP A 113 5.944 -2.575 3.999 1.00 0.00 C ATOM 1184 O TRP A 113 5.670 -2.291 2.831 1.00 0.00 O ATOM 1185 CB TRP A 113 3.854 -2.915 5.332 1.00 0.00 C ATOM 1186 CG TRP A 113 4.167 -4.359 5.584 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.191 -5.367 4.663 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.502 -4.957 6.841 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.520 -6.554 5.269 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.716 -6.329 6.607 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.644 -4.467 8.142 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.062 -7.214 7.625 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 4.987 -5.346 9.152 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.194 -6.705 8.889 1.00 0.00 C ATOM 0 H TRP A 113 4.349 -0.457 4.008 1.00 0.00 H new ATOM 0 HA TRP A 113 5.700 -2.088 6.064 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.264 -2.528 6.163 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.235 -2.836 4.438 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.981 -5.248 3.610 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.605 -7.456 4.800 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.488 -3.420 8.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.220 -8.263 7.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.097 -4.978 10.161 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.463 -7.366 9.700 1.00 0.00 H new ATOM 1205 N CYS A 114 6.967 -3.354 4.343 1.00 0.00 N ATOM 1206 CA CYS A 114 7.864 -3.944 3.352 1.00 0.00 C ATOM 1207 C CYS A 114 7.700 -5.463 3.321 1.00 0.00 C ATOM 1208 O CYS A 114 8.053 -6.154 4.279 1.00 0.00 O ATOM 1209 CB CYS A 114 9.314 -3.583 3.674 1.00 0.00 C ATOM 1210 SG CYS A 114 10.476 -3.933 2.335 1.00 0.00 S ATOM 0 H CYS A 114 7.196 -3.593 5.308 1.00 0.00 H new ATOM 0 HA CYS A 114 7.607 -3.544 2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.367 -2.522 3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.625 -4.131 4.563 1.00 0.00 H new ATOM 1215 N TYR A 115 7.154 -5.973 2.219 1.00 0.00 N ATOM 1216 CA TYR A 115 6.933 -7.409 2.064 1.00 0.00 C ATOM 1217 C TYR A 115 8.250 -8.170 1.922 1.00 0.00 C ATOM 1218 O TYR A 115 8.422 -9.242 2.502 1.00 0.00 O ATOM 1219 CB TYR A 115 6.048 -7.683 0.846 1.00 0.00 C ATOM 1220 CG TYR A 115 4.568 -7.519 1.117 1.00 0.00 C ATOM 1221 CD1 TYR A 115 3.948 -8.224 2.141 1.00 0.00 C ATOM 1222 CD2 TYR A 115 3.793 -6.662 0.347 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.596 -8.078 2.390 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.441 -6.509 0.591 1.00 0.00 C ATOM 1225 CZ TYR A 115 1.848 -7.219 1.612 1.00 0.00 C ATOM 1226 OH TYR A 115 0.501 -7.069 1.858 1.00 0.00 O ATOM 0 H TYR A 115 6.856 -5.413 1.420 1.00 0.00 H new ATOM 0 HA TYR A 115 6.432 -7.761 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.337 -7.009 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.233 -8.698 0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.531 -8.897 2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.254 -6.106 -0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.128 -8.633 3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 115 1.853 -5.836 -0.016 1.00 0.00 H new ATOM 0 HH TYR A 115 0.028 -7.888 1.602 1.00 0.00 H new ATOM 1236 N ALA A 116 9.174 -7.614 1.145 1.00 0.00 N ATOM 1237 CA ALA A 116 10.469 -8.249 0.926 1.00 0.00 C ATOM 1238 C ALA A 116 11.214 -8.434 2.241 1.00 0.00 C ATOM 1239 O ALA A 116 11.652 -9.535 2.571 1.00 0.00 O ATOM 1240 CB ALA A 116 11.302 -7.430 -0.046 1.00 0.00 C ATOM 0 H ALA A 116 9.051 -6.727 0.657 1.00 0.00 H new ATOM 0 HA ALA A 116 10.296 -9.234 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.265 -7.917 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.778 -7.353 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.461 -6.432 0.362 1.00 0.00 H new ATOM 1246 N CYS A 117 11.345 -7.347 2.991 1.00 0.00 N ATOM 1247 CA CYS A 117 12.026 -7.385 4.277 1.00 0.00 C ATOM 1248 C CYS A 117 11.206 -8.174 5.291 1.00 0.00 C ATOM 1249 O CYS A 117 11.755 -8.790 6.204 1.00 0.00 O ATOM 1250 CB CYS A 117 12.274 -5.967 4.792 1.00 0.00 C ATOM 1251 SG CYS A 117 13.778 -5.200 4.142 1.00 0.00 S ATOM 0 H CYS A 117 10.988 -6.428 2.730 1.00 0.00 H new ATOM 0 HA CYS A 117 12.987 -7.882 4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.419 -5.343 4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.332 -5.992 5.880 1.00 0.00 H new ATOM 1256 N SER A 118 9.885 -8.143 5.122 1.00 0.00 N ATOM 1257 CA SER A 118 8.968 -8.848 6.015 1.00 0.00 C ATOM 1258 C SER A 118 8.806 -8.087 7.327 1.00 0.00 C ATOM 1259 O SER A 118 8.867 -8.669 8.411 1.00 0.00 O ATOM 1260 CB SER A 118 9.457 -10.280 6.281 1.00 0.00 C ATOM 1261 OG SER A 118 10.310 -10.337 7.412 1.00 0.00 O ATOM 0 H SER A 118 9.424 -7.633 4.369 1.00 0.00 H new ATOM 0 HA SER A 118 7.996 -8.905 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.600 -10.935 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.988 -10.653 5.405 1.00 0.00 H new ATOM 0 HG SER A 118 11.142 -9.857 7.219 1.00 0.00 H new ATOM 1267 N LYS A 119 8.596 -6.779 7.219 1.00 0.00 N ATOM 1268 CA LYS A 119 8.425 -5.935 8.396 1.00 0.00 C ATOM 1269 C LYS A 119 7.863 -4.570 8.014 1.00 0.00 C ATOM 1270 O LYS A 119 7.587 -4.308 6.844 1.00 0.00 O ATOM 1271 CB LYS A 119 9.760 -5.765 9.125 1.00 0.00 C ATOM 1272 CG LYS A 119 10.920 -5.424 8.201 1.00 0.00 C ATOM 1273 CD LYS A 119 11.318 -3.962 8.320 1.00 0.00 C ATOM 1274 CE LYS A 119 12.830 -3.797 8.337 1.00 0.00 C ATOM 1275 NZ LYS A 119 13.359 -3.669 9.723 1.00 0.00 N ATOM 0 H LYS A 119 8.540 -6.281 6.330 1.00 0.00 H new ATOM 0 HA LYS A 119 7.714 -6.425 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.659 -4.978 9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.992 -6.686 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.775 -6.055 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.642 -5.643 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.899 -3.400 7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.894 -3.541 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.294 -4.654 7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.105 -2.914 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.393 -3.558 9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.936 -2.837 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.119 -4.523 10.266 1.00 0.00 H new ATOM 1289 N GLU A 120 7.696 -3.706 9.009 1.00 0.00 N ATOM 1290 CA GLU A 120 7.167 -2.366 8.777 1.00 0.00 C ATOM 1291 C GLU A 120 8.296 -1.352 8.634 1.00 0.00 C ATOM 1292 O GLU A 120 9.283 -1.396 9.370 1.00 0.00 O ATOM 1293 CB GLU A 120 6.240 -1.957 9.923 1.00 0.00 C ATOM 1294 CG GLU A 120 6.920 -1.951 11.283 1.00 0.00 C ATOM 1295 CD GLU A 120 6.647 -3.213 12.077 1.00 0.00 C ATOM 1296 OE1 GLU A 120 5.514 -3.731 11.998 1.00 0.00 O ATOM 1297 OE2 GLU A 120 7.567 -3.685 12.778 1.00 0.00 O ATOM 0 H GLU A 120 7.919 -3.909 9.983 1.00 0.00 H new ATOM 0 HA GLU A 120 6.599 -2.382 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.842 -0.963 9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.391 -2.640 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.995 -1.837 11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.578 -1.087 11.852 1.00 0.00 H new ATOM 1304 N VAL A 121 8.145 -0.437 7.682 1.00 0.00 N ATOM 1305 CA VAL A 121 9.150 0.591 7.441 1.00 0.00 C ATOM 1306 C VAL A 121 8.549 1.985 7.573 1.00 0.00 C ATOM 1307 O VAL A 121 7.328 2.148 7.581 1.00 0.00 O ATOM 1308 CB VAL A 121 9.781 0.446 6.043 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.783 -0.699 6.025 1.00 0.00 C ATOM 1310 CG2 VAL A 121 8.706 0.241 4.988 1.00 0.00 C ATOM 0 H VAL A 121 7.335 -0.387 7.064 1.00 0.00 H new ATOM 0 HA VAL A 121 9.926 0.458 8.195 1.00 0.00 H new ATOM 0 HB VAL A 121 10.314 1.368 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.218 -0.786 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.573 -0.503 6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.277 -1.629 6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.172 0.141 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.141 -0.663 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.033 1.098 4.983 1.00 0.00 H new ATOM 1320 N PHE A 122 9.412 2.991 7.678 1.00 0.00 N ATOM 1321 CA PHE A 122 8.965 4.372 7.810 1.00 0.00 C ATOM 1322 C PHE A 122 9.476 5.224 6.653 1.00 0.00 C ATOM 1323 O PHE A 122 10.680 5.297 6.407 1.00 0.00 O ATOM 1324 CB PHE A 122 9.440 4.958 9.140 1.00 0.00 C ATOM 1325 CG PHE A 122 10.936 4.967 9.291 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.663 6.119 9.042 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.612 3.822 9.683 1.00 0.00 C ATOM 1328 CE1 PHE A 122 13.039 6.131 9.180 1.00 0.00 C ATOM 1329 CE2 PHE A 122 12.987 3.828 9.824 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.701 4.983 9.571 1.00 0.00 C ATOM 0 H PHE A 122 10.425 2.875 7.674 1.00 0.00 H new ATOM 0 HA PHE A 122 7.875 4.378 7.786 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.067 5.978 9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 122 9.004 4.384 9.957 1.00 0.00 H new ATOM 0 HD1 PHE A 122 11.149 7.019 8.736 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.059 2.916 9.880 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.595 7.036 8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.503 2.930 10.132 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.776 4.989 9.679 1.00 0.00 H new ATOM 1340 N LEU A 123 8.552 5.870 5.948 1.00 0.00 N ATOM 1341 CA LEU A 123 8.910 6.719 4.818 1.00 0.00 C ATOM 1342 C LEU A 123 9.215 8.140 5.283 1.00 0.00 C ATOM 1343 O LEU A 123 8.686 8.599 6.294 1.00 0.00 O ATOM 1344 CB LEU A 123 7.777 6.735 3.787 1.00 0.00 C ATOM 1345 CG LEU A 123 8.048 5.927 2.516 1.00 0.00 C ATOM 1346 CD1 LEU A 123 9.211 6.526 1.741 1.00 0.00 C ATOM 1347 CD2 LEU A 123 8.327 4.472 2.860 1.00 0.00 C ATOM 0 H LEU A 123 7.551 5.822 6.139 1.00 0.00 H new ATOM 0 HA LEU A 123 9.807 6.309 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 123 6.872 6.351 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.576 7.769 3.506 1.00 0.00 H new ATOM 0 HG LEU A 123 7.160 5.967 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.389 5.938 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 123 8.973 7.553 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.106 6.517 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.518 3.912 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.200 4.413 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.464 4.047 3.372 1.00 0.00 H new ATOM 1359 N ASP A 124 10.073 8.829 4.538 1.00 0.00 N ATOM 1360 CA ASP A 124 10.449 10.198 4.876 1.00 0.00 C ATOM 1361 C ASP A 124 10.398 11.097 3.645 1.00 0.00 C ATOM 1362 O ASP A 124 10.497 10.624 2.513 1.00 0.00 O ATOM 1363 CB ASP A 124 11.851 10.228 5.486 1.00 0.00 C ATOM 1364 CG ASP A 124 11.914 9.518 6.824 1.00 0.00 C ATOM 1365 OD1 ASP A 124 11.395 10.072 7.816 1.00 0.00 O ATOM 1366 OD2 ASP A 124 12.484 8.407 6.881 1.00 0.00 O ATOM 0 H ASP A 124 10.521 8.463 3.698 1.00 0.00 H new ATOM 0 HA ASP A 124 9.734 10.574 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 124 12.554 9.761 4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 124 12.168 11.263 5.612 1.00 0.00 H new ATOM 1371 N ARG A 125 10.246 12.397 3.875 1.00 0.00 N ATOM 1372 CA ARG A 125 10.184 13.365 2.786 1.00 0.00 C ATOM 1373 C ARG A 125 11.548 13.527 2.121 1.00 0.00 C ATOM 1374 O ARG A 125 11.637 13.886 0.947 1.00 0.00 O ATOM 1375 CB ARG A 125 9.689 14.717 3.306 1.00 0.00 C ATOM 1376 CG ARG A 125 8.292 15.078 2.830 1.00 0.00 C ATOM 1377 CD ARG A 125 7.660 16.143 3.711 1.00 0.00 C ATOM 1378 NE ARG A 125 6.775 17.026 2.955 1.00 0.00 N ATOM 1379 CZ ARG A 125 6.274 18.162 3.435 1.00 0.00 C ATOM 1380 NH1 ARG A 125 6.566 18.555 4.668 1.00 0.00 N ATOM 1381 NH2 ARG A 125 5.476 18.906 2.680 1.00 0.00 N ATOM 0 H ARG A 125 10.163 12.805 4.806 1.00 0.00 H new ATOM 0 HA ARG A 125 9.482 12.992 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 125 9.700 14.704 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 125 10.384 15.495 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.338 15.436 1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.665 14.186 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 125 7.096 15.663 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 125 8.444 16.734 4.184 1.00 0.00 H new ATOM 0 HE ARG A 125 6.526 16.756 2.003 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.177 17.986 5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.179 19.426 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 125 5.247 18.607 1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 125 5.092 19.777 3.048 1.00 0.00 H new ATOM 1395 N LYS A 126 12.609 13.261 2.878 1.00 0.00 N ATOM 1396 CA LYS A 126 13.967 13.379 2.360 1.00 0.00 C ATOM 1397 C LYS A 126 14.265 14.815 1.939 1.00 0.00 C ATOM 1398 O LYS A 126 14.980 15.051 0.965 1.00 0.00 O ATOM 1399 CB LYS A 126 14.170 12.434 1.174 1.00 0.00 C ATOM 1400 CG LYS A 126 14.073 10.963 1.545 1.00 0.00 C ATOM 1401 CD LYS A 126 14.671 10.077 0.465 1.00 0.00 C ATOM 1402 CE LYS A 126 15.237 8.792 1.048 1.00 0.00 C ATOM 1403 NZ LYS A 126 16.410 9.051 1.928 1.00 0.00 N ATOM 0 H LYS A 126 12.554 12.962 3.852 1.00 0.00 H new ATOM 0 HA LYS A 126 14.657 13.101 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 126 13.425 12.657 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 126 15.148 12.625 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 126 14.591 10.789 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 126 13.028 10.694 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 126 13.907 9.837 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 126 15.460 10.619 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 126 14.462 8.280 1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 126 15.531 8.125 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 17.020 8.209 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 16.949 9.860 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 16.081 9.265 2.891 1.00 0.00 H new ATOM 1417 N LEU A 127 13.712 15.769 2.680 1.00 0.00 N ATOM 1418 CA LEU A 127 13.918 17.183 2.384 1.00 0.00 C ATOM 1419 C LEU A 127 14.732 17.855 3.485 1.00 0.00 C ATOM 1420 O LEU A 127 15.149 17.210 4.445 1.00 0.00 O ATOM 1421 CB LEU A 127 12.572 17.891 2.220 1.00 0.00 C ATOM 1422 CG LEU A 127 11.908 17.712 0.855 1.00 0.00 C ATOM 1423 CD1 LEU A 127 10.394 17.678 0.998 1.00 0.00 C ATOM 1424 CD2 LEU A 127 12.331 18.824 -0.092 1.00 0.00 C ATOM 0 H LEU A 127 13.118 15.590 3.490 1.00 0.00 H new ATOM 0 HA LEU A 127 14.475 17.258 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 127 11.891 17.526 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 127 12.715 18.956 2.400 1.00 0.00 H new ATOM 0 HG LEU A 127 12.234 16.760 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.939 17.550 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 127 10.108 16.846 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 127 10.049 18.613 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 127 11.849 18.681 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 127 12.034 19.787 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 127 13.413 18.802 -0.219 1.00 0.00 H new ATOM 1436 N GLY A 128 14.953 19.157 3.337 1.00 0.00 N ATOM 1437 CA GLY A 128 15.717 19.897 4.325 1.00 0.00 C ATOM 1438 C GLY A 128 17.003 20.463 3.759 1.00 0.00 C ATOM 1439 O GLY A 128 17.336 21.624 3.998 1.00 0.00 O ATOM 0 H GLY A 128 14.617 19.713 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.107 20.711 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 128 15.951 19.242 5.164 1.00 0.00 H new ATOM 1443 N THR A 129 17.728 19.643 3.006 1.00 0.00 N ATOM 1444 CA THR A 129 18.986 20.068 2.402 1.00 0.00 C ATOM 1445 C THR A 129 19.041 19.683 0.930 1.00 0.00 C ATOM 1446 O THR A 129 19.033 20.544 0.050 1.00 0.00 O ATOM 1447 CB THR A 129 20.169 19.450 3.149 1.00 0.00 C ATOM 1448 OG1 THR A 129 19.821 19.164 4.492 1.00 0.00 O ATOM 1449 CG2 THR A 129 21.393 20.340 3.171 1.00 0.00 C ATOM 0 H THR A 129 17.466 18.679 2.799 1.00 0.00 H new ATOM 0 HA THR A 129 19.046 21.154 2.476 1.00 0.00 H new ATOM 0 HB THR A 129 20.412 18.539 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 129 20.590 18.768 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 129 22.195 19.842 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 129 21.717 20.538 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 129 21.150 21.281 3.663 1.00 0.00 H new ATOM 1457 N GLN A 130 19.097 18.385 0.673 1.00 0.00 N ATOM 1458 CA GLN A 130 19.154 17.876 -0.693 1.00 0.00 C ATOM 1459 C GLN A 130 17.779 17.929 -1.351 1.00 0.00 C ATOM 1460 O GLN A 130 17.678 18.488 -2.462 1.00 0.00 O ATOM 1461 CB GLN A 130 19.681 16.440 -0.702 1.00 0.00 C ATOM 1462 CG GLN A 130 18.975 15.525 0.285 1.00 0.00 C ATOM 1463 CD GLN A 130 19.243 14.058 0.015 1.00 0.00 C ATOM 1464 OE1 GLN A 130 19.773 13.694 -1.034 1.00 0.00 O ATOM 1465 NE2 GLN A 130 18.876 13.205 0.965 1.00 0.00 N ATOM 1466 OXT GLN A 130 16.816 17.408 -0.750 1.00 0.00 O ATOM 0 H GLN A 130 19.104 17.662 1.392 1.00 0.00 H new ATOM 0 HA GLN A 130 19.834 18.509 -1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 130 19.574 16.029 -1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 130 20.747 16.452 -0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 130 19.299 15.769 1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 130 17.901 15.708 0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 130 18.440 13.550 1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 130 19.031 12.205 0.840 1.00 0.00 H new TER 1475 GLN A 130 HETATM 1476 ZN ZN A 131 12.810 -4.124 2.441 1.00 0.00 ZN HETATM 1477 ZN ZN A 132 -9.618 -5.598 -2.089 1.00 0.00 ZN HETATM 1478 ZN ZN A 133 1.552 -1.085 -7.450 1.00 0.00 ZN