USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 143 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 HIS : no HD1:sc= -16.9! C(o=-30!,f=-41!) USER MOD Set 1.2: A 71 GLN : amide:sc= -13.3! C(o=-30!,f=-31!) USER MOD Set 2.1: A 24 TYR OH : rot -50:sc= -4.07! USER MOD Set 2.2: A 51 LYS NZ :NH3+ -156:sc= -7.05! (180deg=-8.97!) USER MOD Set 3.1: A 1 ILE N :NH3+ 147:sc= 0.00953 (180deg=-0.548) USER MOD Set 3.2: A 15 THR OG1 : rot -87:sc= 1.98 USER MOD Set 4.1: A 5 THR OG1 : rot -84:sc= -8.15! USER MOD Set 4.2: A 64 LYS NZ :NH3+ -122:sc= 0.694! (180deg=0.846) USER MOD Single : A 4 HIS : no HE2:sc= -7.44! C(o=-7.4!,f=-7.3!) USER MOD Single : A 6 THR OG1 : rot 170:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 8:sc= 1.01 USER MOD Single : A 21 ASN : amide:sc= -1.01 K(o=-1,f=-0.16) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= -2.35! (180deg=-2.48!) USER MOD Single : A 27 MET CE :methyl -156:sc= -0.407 (180deg=-1.78!) USER MOD Single : A 34 SER OG : rot 28:sc= 0.364 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= -9! (180deg=-13.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 100:sc= -0.736 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.851 USER MOD Single : A 61 SER OG : rot 62:sc= 0.0167 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -16.4! C(o=-16!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -1.84! (180deg=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 3.973 14.196 -2.925 1.00 0.00 N ATOM 2 CA ILE A 1 3.643 13.996 -4.359 1.00 0.00 C ATOM 3 C ILE A 1 4.379 12.771 -4.920 1.00 0.00 C ATOM 4 O ILE A 1 5.526 12.825 -5.353 1.00 0.00 O ATOM 5 CB ILE A 1 4.010 15.211 -5.226 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.170 16.417 -4.802 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.831 14.929 -6.736 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.708 17.722 -5.400 1.00 0.00 C ATOM 0 H1 ILE A 1 3.971 15.213 -2.707 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.265 13.714 -2.335 1.00 0.00 H new ATOM 0 H3 ILE A 1 4.915 13.801 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 1 2.564 13.850 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 1 5.067 15.427 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 1 2.137 16.270 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 1 3.163 16.491 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 1 4.103 15.817 -7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.473 14.098 -7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 1 2.791 14.672 -6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 1 3.085 18.555 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 1 4.732 17.882 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.691 17.658 -6.488 1.00 0.00 H new ATOM 12 N VAL A 2 3.724 11.639 -4.798 1.00 0.00 N ATOM 13 CA VAL A 2 4.265 10.370 -5.248 1.00 0.00 C ATOM 14 C VAL A 2 3.100 9.452 -5.564 1.00 0.00 C ATOM 15 O VAL A 2 2.434 9.721 -6.513 1.00 0.00 O ATOM 16 CB VAL A 2 5.075 9.691 -4.176 1.00 0.00 C ATOM 17 CG1 VAL A 2 5.647 8.508 -4.977 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.778 10.636 -3.191 1.00 0.00 C ATOM 0 H VAL A 2 2.795 11.569 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 2 4.904 10.563 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 2 4.636 9.242 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.276 7.899 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.829 7.901 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.243 8.885 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.334 10.050 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.465 11.284 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.034 11.246 -2.678 1.00 0.00 H new ATOM 20 N CYS A 3 2.899 8.404 -4.777 1.00 0.00 N ATOM 21 CA CYS A 3 1.969 7.354 -5.048 1.00 0.00 C ATOM 22 C CYS A 3 0.626 7.988 -4.899 1.00 0.00 C ATOM 23 O CYS A 3 0.430 8.777 -4.005 1.00 0.00 O ATOM 24 CB CYS A 3 2.172 6.384 -3.937 1.00 0.00 C ATOM 25 SG CYS A 3 1.903 6.847 -2.201 1.00 0.00 S ATOM 0 H CYS A 3 3.407 8.271 -3.902 1.00 0.00 H new ATOM 0 HA CYS A 3 2.075 6.876 -6.022 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.524 5.532 -4.140 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.199 6.028 -4.013 1.00 0.00 H new ATOM 27 N HIS A 4 -0.278 7.524 -5.705 1.00 0.00 N ATOM 28 CA HIS A 4 -1.614 8.097 -5.734 1.00 0.00 C ATOM 29 C HIS A 4 -2.673 6.998 -5.626 1.00 0.00 C ATOM 30 O HIS A 4 -3.494 6.840 -6.493 1.00 0.00 O ATOM 31 CB HIS A 4 -1.818 8.921 -7.015 1.00 0.00 C ATOM 32 CG HIS A 4 -0.904 10.135 -7.141 1.00 0.00 C ATOM 33 ND1 HIS A 4 0.132 10.204 -7.953 1.00 0.00 N ATOM 34 CD2 HIS A 4 -1.005 11.317 -6.548 1.00 0.00 C ATOM 35 CE1 HIS A 4 0.666 11.418 -7.854 1.00 0.00 C ATOM 36 NE2 HIS A 4 -0.036 12.114 -6.971 1.00 0.00 N ATOM 0 H HIS A 4 -0.129 6.752 -6.355 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.722 8.762 -4.877 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.660 8.273 -7.877 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.854 9.257 -7.054 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.468 9.453 -8.556 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.763 11.588 -5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.526 11.776 -8.400 1.00 0.00 H new ATOM 39 N THR A 5 -2.554 6.207 -4.537 1.00 0.00 N ATOM 40 CA THR A 5 -3.472 5.095 -4.275 1.00 0.00 C ATOM 41 C THR A 5 -3.813 4.995 -2.753 1.00 0.00 C ATOM 42 O THR A 5 -4.648 5.783 -2.357 1.00 0.00 O ATOM 43 CB THR A 5 -2.987 3.713 -4.511 1.00 0.00 C ATOM 44 OG1 THR A 5 -3.251 3.316 -5.799 1.00 0.00 O ATOM 45 CG2 THR A 5 -4.215 2.787 -4.372 1.00 0.00 C ATOM 0 H THR A 5 -1.828 6.324 -3.830 1.00 0.00 H new ATOM 0 HA THR A 5 -4.273 5.353 -4.968 1.00 0.00 H new ATOM 0 HB THR A 5 -2.022 3.682 -4.005 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.168 2.974 -5.855 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.912 1.753 -4.537 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.634 2.887 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.967 3.067 -5.110 1.00 0.00 H new ATOM 48 N THR A 6 -3.296 3.957 -2.163 1.00 0.00 N ATOM 49 CA THR A 6 -3.756 3.612 -0.761 1.00 0.00 C ATOM 50 C THR A 6 -2.670 4.440 -0.100 1.00 0.00 C ATOM 51 O THR A 6 -2.366 5.537 -0.586 1.00 0.00 O ATOM 52 CB THR A 6 -3.771 2.106 -0.469 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.422 1.194 -1.341 1.00 0.00 O ATOM 54 CG2 THR A 6 -4.008 1.681 0.978 1.00 0.00 C ATOM 0 H THR A 6 -2.592 3.337 -2.565 1.00 0.00 H new ATOM 0 HA THR A 6 -4.781 3.823 -0.457 1.00 0.00 H new ATOM 0 HB THR A 6 -2.716 1.999 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.192 0.276 -1.085 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.994 0.593 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.223 2.093 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.977 2.053 1.312 1.00 0.00 H new ATOM 57 N ALA A 7 -2.328 4.045 1.116 1.00 0.00 N ATOM 58 CA ALA A 7 -1.447 4.781 2.041 1.00 0.00 C ATOM 59 C ALA A 7 -2.134 5.106 3.344 1.00 0.00 C ATOM 60 O ALA A 7 -2.460 6.275 3.516 1.00 0.00 O ATOM 61 CB ALA A 7 -0.759 6.055 1.465 1.00 0.00 C ATOM 0 H ALA A 7 -2.665 3.168 1.512 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.637 4.074 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.137 6.512 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.138 5.779 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.520 6.766 1.144 1.00 0.00 H new ATOM 63 N THR A 8 -2.487 4.091 4.148 1.00 0.00 N ATOM 64 CA THR A 8 -3.303 4.335 5.366 1.00 0.00 C ATOM 65 C THR A 8 -4.766 4.418 4.945 1.00 0.00 C ATOM 66 O THR A 8 -5.309 5.521 4.880 1.00 0.00 O ATOM 67 CB THR A 8 -2.924 5.678 6.047 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.582 5.595 6.480 1.00 0.00 O ATOM 69 CG2 THR A 8 -3.807 6.238 7.167 1.00 0.00 C ATOM 0 H THR A 8 -2.233 3.116 3.991 1.00 0.00 H new ATOM 0 HA THR A 8 -3.124 3.524 6.072 1.00 0.00 H new ATOM 0 HB THR A 8 -3.095 6.412 5.259 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.325 6.436 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.390 7.180 7.523 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.814 6.408 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.847 5.525 7.990 1.00 0.00 H new ATOM 72 N SER A 9 -5.300 3.271 4.472 1.00 0.00 N ATOM 73 CA SER A 9 -6.728 3.114 4.110 1.00 0.00 C ATOM 74 C SER A 9 -7.018 3.278 2.592 1.00 0.00 C ATOM 75 O SER A 9 -6.173 2.874 1.812 1.00 0.00 O ATOM 76 CB SER A 9 -7.552 4.074 4.979 1.00 0.00 C ATOM 77 OG SER A 9 -7.668 3.888 6.356 1.00 0.00 O ATOM 0 H SER A 9 -4.751 2.423 4.329 1.00 0.00 H new ATOM 0 HA SER A 9 -7.024 2.085 4.314 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.141 5.072 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.564 4.081 4.573 1.00 0.00 H new ATOM 0 HG SER A 9 -8.228 4.597 6.736 1.00 0.00 H new ATOM 80 N PRO A 10 -8.134 3.807 2.079 1.00 0.00 N ATOM 81 CA PRO A 10 -8.344 4.019 0.639 1.00 0.00 C ATOM 82 C PRO A 10 -7.523 5.186 0.084 1.00 0.00 C ATOM 83 O PRO A 10 -7.269 5.242 -1.115 1.00 0.00 O ATOM 84 CB PRO A 10 -9.851 4.276 0.537 1.00 0.00 C ATOM 85 CG PRO A 10 -10.218 4.998 1.824 1.00 0.00 C ATOM 86 CD PRO A 10 -9.430 4.104 2.738 1.00 0.00 C ATOM 0 HA PRO A 10 -8.014 3.168 0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.089 4.882 -0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.404 3.342 0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.891 6.037 1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.288 4.996 2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.266 4.590 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.978 3.183 2.936 1.00 0.00 H new ATOM 87 N ILE A 11 -7.240 6.171 0.949 1.00 0.00 N ATOM 88 CA ILE A 11 -6.435 7.364 0.587 1.00 0.00 C ATOM 89 C ILE A 11 -7.216 8.030 -0.521 1.00 0.00 C ATOM 90 O ILE A 11 -8.420 7.792 -0.643 1.00 0.00 O ATOM 91 CB ILE A 11 -4.995 6.967 0.164 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.298 6.651 1.438 1.00 0.00 C ATOM 93 CG2 ILE A 11 -4.000 7.979 -0.420 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.807 5.363 2.026 1.00 0.00 C ATOM 0 H ILE A 11 -7.558 6.170 1.918 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.290 8.045 1.426 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.193 6.234 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.225 6.575 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.447 7.463 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.058 7.477 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.409 8.404 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.825 8.776 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.280 5.155 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.875 5.451 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.635 4.549 1.322 1.00 0.00 H new ATOM 96 N SER A 12 -6.519 8.804 -1.308 1.00 0.00 N ATOM 97 CA SER A 12 -7.051 9.517 -2.462 1.00 0.00 C ATOM 98 C SER A 12 -5.928 10.159 -3.249 1.00 0.00 C ATOM 99 O SER A 12 -6.094 11.306 -3.642 1.00 0.00 O ATOM 100 CB SER A 12 -7.980 10.615 -1.937 1.00 0.00 C ATOM 101 OG SER A 12 -9.187 10.002 -1.513 1.00 0.00 O ATOM 0 H SER A 12 -5.523 8.969 -1.166 1.00 0.00 H new ATOM 0 HA SER A 12 -7.582 8.825 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.511 11.147 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.179 11.350 -2.716 1.00 0.00 H new ATOM 0 HG SER A 12 -9.088 9.028 -1.545 1.00 0.00 H new ATOM 104 N ALA A 13 -4.770 9.487 -3.325 1.00 0.00 N ATOM 105 CA ALA A 13 -3.613 9.992 -4.072 1.00 0.00 C ATOM 106 C ALA A 13 -2.587 10.498 -3.093 1.00 0.00 C ATOM 107 O ALA A 13 -1.445 10.263 -3.440 1.00 0.00 O ATOM 108 CB ALA A 13 -3.823 11.097 -5.120 1.00 0.00 C ATOM 0 H ALA A 13 -4.611 8.586 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.314 9.122 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.867 11.352 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.510 10.743 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.242 11.980 -4.638 1.00 0.00 H new ATOM 110 N VAL A 14 -3.012 11.033 -1.944 1.00 0.00 N ATOM 111 CA VAL A 14 -2.177 11.530 -0.824 1.00 0.00 C ATOM 112 C VAL A 14 -0.744 11.585 -1.251 1.00 0.00 C ATOM 113 O VAL A 14 -0.410 12.705 -1.629 1.00 0.00 O ATOM 114 CB VAL A 14 -2.308 10.755 0.494 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.229 11.084 1.542 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.653 11.130 1.103 1.00 0.00 C ATOM 0 H VAL A 14 -4.008 11.141 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.560 12.525 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.202 9.698 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.401 10.490 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.245 10.851 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.277 12.144 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.787 10.599 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.683 12.204 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.453 10.856 0.415 1.00 0.00 H new ATOM 118 N THR A 15 -0.102 10.420 -1.210 1.00 0.00 N ATOM 119 CA THR A 15 1.243 10.147 -1.732 1.00 0.00 C ATOM 120 C THR A 15 2.127 9.936 -0.545 1.00 0.00 C ATOM 121 O THR A 15 3.300 10.301 -0.652 1.00 0.00 O ATOM 122 CB THR A 15 1.863 11.292 -2.541 1.00 0.00 C ATOM 123 OG1 THR A 15 2.103 12.405 -1.662 1.00 0.00 O ATOM 124 CG2 THR A 15 1.070 11.644 -3.804 1.00 0.00 C ATOM 0 H THR A 15 -0.526 9.593 -0.789 1.00 0.00 H new ATOM 0 HA THR A 15 1.157 9.292 -2.403 1.00 0.00 H new ATOM 0 HB THR A 15 2.823 10.966 -2.941 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.295 12.956 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.565 12.462 -4.328 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.020 10.772 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.061 11.949 -3.527 1.00 0.00 H new ATOM 127 N CYS A 16 1.541 9.458 0.557 1.00 0.00 N ATOM 128 CA CYS A 16 2.272 9.177 1.780 1.00 0.00 C ATOM 129 C CYS A 16 2.755 10.486 2.424 1.00 0.00 C ATOM 130 O CYS A 16 2.170 11.548 2.135 1.00 0.00 O ATOM 131 CB CYS A 16 3.378 8.270 1.232 1.00 0.00 C ATOM 132 SG CYS A 16 5.027 8.993 0.784 1.00 0.00 S ATOM 0 H CYS A 16 0.543 9.257 0.618 1.00 0.00 H new ATOM 0 HA CYS A 16 1.718 8.706 2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.555 7.490 1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.985 7.780 0.341 1.00 0.00 H new ATOM 134 N PRO A 17 3.794 10.421 3.261 1.00 0.00 N ATOM 135 CA PRO A 17 4.360 11.604 3.888 1.00 0.00 C ATOM 136 C PRO A 17 5.191 12.441 2.871 1.00 0.00 C ATOM 137 O PRO A 17 4.831 12.496 1.684 1.00 0.00 O ATOM 138 CB PRO A 17 5.035 10.873 5.069 1.00 0.00 C ATOM 139 CG PRO A 17 5.742 9.707 4.435 1.00 0.00 C ATOM 140 CD PRO A 17 4.418 9.230 3.908 1.00 0.00 C ATOM 0 HA PRO A 17 3.727 12.420 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.735 11.525 5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.300 10.541 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.476 9.969 3.673 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.234 9.029 5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.550 8.419 3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.790 8.847 4.713 1.00 0.00 H new ATOM 141 N PRO A 18 6.240 13.148 3.325 1.00 0.00 N ATOM 142 CA PRO A 18 7.094 13.972 2.464 1.00 0.00 C ATOM 143 C PRO A 18 7.964 13.069 1.578 1.00 0.00 C ATOM 144 O PRO A 18 7.454 12.358 0.713 1.00 0.00 O ATOM 145 CB PRO A 18 7.863 14.843 3.477 1.00 0.00 C ATOM 146 CG PRO A 18 8.077 13.937 4.683 1.00 0.00 C ATOM 147 CD PRO A 18 6.700 13.326 4.726 1.00 0.00 C ATOM 0 HA PRO A 18 6.573 14.603 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.813 15.184 3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.294 15.733 3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.866 13.201 4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.328 14.487 5.590 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.723 12.368 5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.013 13.970 5.275 1.00 0.00 H new ATOM 148 N GLY A 19 9.273 13.100 1.842 1.00 0.00 N ATOM 149 CA GLY A 19 10.275 12.347 1.072 1.00 0.00 C ATOM 150 C GLY A 19 10.450 12.896 -0.347 1.00 0.00 C ATOM 151 O GLY A 19 11.573 12.882 -0.839 1.00 0.00 O ATOM 0 H GLY A 19 9.673 13.651 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.232 12.382 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.978 11.300 1.020 1.00 0.00 H new ATOM 153 N GLU A 20 9.386 13.498 -0.896 1.00 0.00 N ATOM 154 CA GLU A 20 9.357 14.082 -2.248 1.00 0.00 C ATOM 155 C GLU A 20 9.550 12.984 -3.282 1.00 0.00 C ATOM 156 O GLU A 20 10.661 12.749 -3.732 1.00 0.00 O ATOM 157 CB GLU A 20 10.509 15.085 -2.418 1.00 0.00 C ATOM 158 CG GLU A 20 10.325 16.284 -1.510 1.00 0.00 C ATOM 159 CD GLU A 20 9.225 17.121 -2.144 1.00 0.00 C ATOM 160 OE1 GLU A 20 8.045 16.862 -1.814 1.00 0.00 O ATOM 161 OE2 GLU A 20 9.600 17.969 -2.979 1.00 0.00 O ATOM 0 H GLU A 20 8.499 13.596 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 20 8.397 14.581 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.457 14.596 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.558 15.415 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.048 15.973 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.250 16.855 -1.424 1.00 0.00 H new ATOM 163 N ASN A 21 8.450 12.296 -3.587 1.00 0.00 N ATOM 164 CA ASN A 21 8.484 11.174 -4.546 1.00 0.00 C ATOM 165 C ASN A 21 8.684 9.882 -3.762 1.00 0.00 C ATOM 166 O ASN A 21 9.050 9.905 -2.590 1.00 0.00 O ATOM 167 CB ASN A 21 9.441 11.276 -5.743 1.00 0.00 C ATOM 168 CG ASN A 21 9.094 12.486 -6.582 1.00 0.00 C ATOM 169 OD1 ASN A 21 9.925 13.318 -6.909 1.00 0.00 O ATOM 170 ND2 ASN A 21 7.846 12.526 -6.984 1.00 0.00 N ATOM 0 H ASN A 21 7.529 12.487 -3.192 1.00 0.00 H new ATOM 0 HA ASN A 21 7.520 11.202 -5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.470 11.350 -5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.376 10.372 -6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.532 13.277 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.190 11.806 -6.682 1.00 0.00 H new ATOM 174 N LEU A 22 8.250 8.776 -4.365 1.00 0.00 N ATOM 175 CA LEU A 22 8.295 7.422 -3.759 1.00 0.00 C ATOM 176 C LEU A 22 7.200 7.205 -2.702 1.00 0.00 C ATOM 177 O LEU A 22 6.630 8.122 -2.129 1.00 0.00 O ATOM 178 CB LEU A 22 9.637 7.176 -3.084 1.00 0.00 C ATOM 179 CG LEU A 22 10.822 7.306 -4.055 1.00 0.00 C ATOM 180 CD1 LEU A 22 11.098 8.542 -4.929 1.00 0.00 C ATOM 181 CD2 LEU A 22 12.117 6.989 -3.365 1.00 0.00 C ATOM 0 H LEU A 22 7.849 8.783 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 22 8.136 6.727 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.763 7.885 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.641 6.179 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 22 10.442 6.595 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.997 8.375 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.251 8.714 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.242 9.414 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.940 7.088 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.266 7.681 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.086 5.968 -2.985 1.00 0.00 H new ATOM 183 N CYS A 23 6.842 5.946 -2.533 1.00 0.00 N ATOM 184 CA CYS A 23 5.795 5.569 -1.587 1.00 0.00 C ATOM 185 C CYS A 23 5.894 4.099 -1.265 1.00 0.00 C ATOM 186 O CYS A 23 5.587 3.250 -2.101 1.00 0.00 O ATOM 187 CB CYS A 23 4.416 5.780 -2.150 1.00 0.00 C ATOM 188 SG CYS A 23 3.815 7.492 -2.121 1.00 0.00 S ATOM 0 H CYS A 23 7.258 5.162 -3.036 1.00 0.00 H new ATOM 0 HA CYS A 23 5.941 6.196 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.405 5.427 -3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.716 5.158 -1.593 1.00 0.00 H new ATOM 190 N TYR A 24 6.367 3.838 -0.060 1.00 0.00 N ATOM 191 CA TYR A 24 6.551 2.450 0.381 1.00 0.00 C ATOM 192 C TYR A 24 5.256 1.621 0.161 1.00 0.00 C ATOM 193 O TYR A 24 4.126 1.993 0.440 1.00 0.00 O ATOM 194 CB TYR A 24 7.105 2.468 1.821 1.00 0.00 C ATOM 195 CG TYR A 24 6.141 2.129 2.952 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.806 2.331 2.810 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.515 1.391 4.038 1.00 0.00 C ATOM 198 CE1 TYR A 24 3.792 1.735 3.509 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.513 0.902 4.854 1.00 0.00 C ATOM 200 CZ TYR A 24 4.170 1.004 4.584 1.00 0.00 C ATOM 201 OH TYR A 24 3.218 0.565 5.419 1.00 0.00 O ATOM 0 H TYR A 24 6.629 4.547 0.625 1.00 0.00 H new ATOM 0 HA TYR A 24 7.291 1.928 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.939 1.768 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.511 3.461 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.510 3.046 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.556 1.197 4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.756 1.841 3.222 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.806 0.405 5.767 1.00 0.00 H new ATOM 0 HH TYR A 24 2.633 1.310 5.669 1.00 0.00 H new ATOM 208 N ARG A 25 5.341 0.580 -0.615 1.00 0.00 N ATOM 209 CA ARG A 25 4.119 -0.213 -0.709 1.00 0.00 C ATOM 210 C ARG A 25 4.267 -1.514 0.047 1.00 0.00 C ATOM 211 O ARG A 25 5.275 -2.178 -0.096 1.00 0.00 O ATOM 212 CB ARG A 25 3.583 -0.230 -2.129 1.00 0.00 C ATOM 213 CG ARG A 25 2.478 -1.280 -2.258 1.00 0.00 C ATOM 214 CD ARG A 25 2.078 -1.455 -3.706 1.00 0.00 C ATOM 215 NE ARG A 25 2.750 -2.617 -4.261 1.00 0.00 N ATOM 216 CZ ARG A 25 2.324 -3.853 -4.065 1.00 0.00 C ATOM 217 NH1 ARG A 25 1.236 -4.098 -3.346 1.00 0.00 N ATOM 218 NH2 ARG A 25 3.020 -4.849 -4.575 1.00 0.00 N ATOM 0 H ARG A 25 6.151 0.268 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 25 3.289 0.255 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.194 0.754 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.389 -0.451 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.823 -2.231 -1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.612 -0.978 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.997 -1.576 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.340 -0.564 -4.276 1.00 0.00 H new ATOM 0 HE ARG A 25 3.587 -2.473 -4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.713 -3.326 -2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.923 -5.059 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.868 -4.658 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.710 -5.811 -4.437 1.00 0.00 H new ATOM 225 N LYS A 26 3.376 -1.707 1.004 1.00 0.00 N ATOM 226 CA LYS A 26 3.415 -2.962 1.756 1.00 0.00 C ATOM 227 C LYS A 26 1.995 -3.429 1.993 1.00 0.00 C ATOM 228 O LYS A 26 1.159 -2.548 2.095 1.00 0.00 O ATOM 229 CB LYS A 26 4.142 -2.732 3.073 1.00 0.00 C ATOM 230 CG LYS A 26 4.260 -4.115 3.711 1.00 0.00 C ATOM 231 CD LYS A 26 5.282 -4.174 4.808 1.00 0.00 C ATOM 232 CE LYS A 26 5.531 -5.372 5.703 1.00 0.00 C ATOM 233 NZ LYS A 26 6.350 -4.971 6.864 1.00 0.00 N ATOM 0 H LYS A 26 2.646 -1.049 1.275 1.00 0.00 H new ATOM 0 HA LYS A 26 3.950 -3.731 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.124 -2.289 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.587 -2.048 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.289 -4.407 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.520 -4.842 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.239 -3.948 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.052 -3.344 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.582 -5.787 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.039 -6.156 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.460 -5.781 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.287 -4.659 6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.881 -4.190 7.367 1.00 0.00 H new ATOM 238 N MET A 27 1.813 -4.716 2.265 1.00 0.00 N ATOM 239 CA MET A 27 0.535 -5.399 2.528 1.00 0.00 C ATOM 240 C MET A 27 -0.250 -5.586 1.258 1.00 0.00 C ATOM 241 O MET A 27 0.181 -5.091 0.222 1.00 0.00 O ATOM 242 CB MET A 27 -0.320 -4.621 3.498 1.00 0.00 C ATOM 243 CG MET A 27 0.461 -4.622 4.780 1.00 0.00 C ATOM 244 SD MET A 27 0.309 -6.115 5.784 1.00 0.00 S ATOM 245 CE MET A 27 -1.449 -6.021 6.032 1.00 0.00 C ATOM 0 H MET A 27 2.602 -5.360 2.313 1.00 0.00 H new ATOM 0 HA MET A 27 0.785 -6.369 2.959 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.498 -3.606 3.143 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.296 -5.088 3.629 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.514 -4.470 4.543 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.143 -3.769 5.379 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.718 -6.563 6.939 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.747 -4.977 6.131 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.961 -6.465 5.179 1.00 0.00 H new ATOM 247 N TRP A 28 -1.336 -6.345 1.395 1.00 0.00 N ATOM 248 CA TRP A 28 -2.206 -6.730 0.268 1.00 0.00 C ATOM 249 C TRP A 28 -3.095 -7.922 0.598 1.00 0.00 C ATOM 250 O TRP A 28 -4.283 -7.944 0.357 1.00 0.00 O ATOM 251 CB TRP A 28 -1.382 -7.022 -0.986 1.00 0.00 C ATOM 252 CG TRP A 28 -2.153 -7.399 -2.224 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.767 -6.587 -3.063 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.319 -8.701 -2.653 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.317 -7.345 -4.037 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.060 -8.610 -3.792 1.00 0.00 C ATOM 257 CE3 TRP A 28 -1.918 -9.915 -2.126 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.447 -9.787 -4.466 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.250 -11.077 -2.825 1.00 0.00 C ATOM 260 CH2 TRP A 28 -3.003 -11.003 -3.978 1.00 0.00 C ATOM 0 H TRP A 28 -1.645 -6.716 2.294 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.858 -5.878 0.076 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.782 -6.141 -1.213 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.687 -7.830 -0.757 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.820 -5.511 -2.985 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.846 -6.992 -4.834 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.364 -9.963 -1.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.076 -9.740 -5.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.916 -12.038 -2.461 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.250 -11.910 -4.509 1.00 0.00 H new ATOM 268 N CYS A 29 -2.483 -8.820 1.346 1.00 0.00 N ATOM 269 CA CYS A 29 -3.108 -10.083 1.698 1.00 0.00 C ATOM 270 C CYS A 29 -3.097 -10.128 3.215 1.00 0.00 C ATOM 271 O CYS A 29 -2.451 -11.029 3.743 1.00 0.00 O ATOM 272 CB CYS A 29 -2.334 -11.263 1.082 1.00 0.00 C ATOM 273 SG CYS A 29 -3.246 -12.774 1.477 1.00 0.00 S ATOM 0 H CYS A 29 -1.544 -8.697 1.725 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.124 -10.163 1.312 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.243 -11.141 0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.322 -11.310 1.484 1.00 0.00 H new ATOM 275 N ASP A 30 -3.693 -9.113 3.848 1.00 0.00 N ATOM 276 CA ASP A 30 -3.846 -9.008 5.318 1.00 0.00 C ATOM 277 C ASP A 30 -2.841 -9.869 6.085 1.00 0.00 C ATOM 278 O ASP A 30 -1.724 -9.421 6.350 1.00 0.00 O ATOM 279 CB ASP A 30 -5.256 -9.439 5.721 1.00 0.00 C ATOM 280 CG ASP A 30 -6.221 -8.401 5.243 1.00 0.00 C ATOM 281 OD1 ASP A 30 -6.179 -7.401 5.949 1.00 0.00 O ATOM 282 OD2 ASP A 30 -6.907 -8.650 4.231 1.00 0.00 O ATOM 0 H ASP A 30 -4.095 -8.319 3.349 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.661 -7.965 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.495 -10.409 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.324 -9.550 6.803 1.00 0.00 H new ATOM 284 N ALA A 31 -3.209 -11.132 6.215 1.00 0.00 N ATOM 285 CA ALA A 31 -2.343 -12.218 6.699 1.00 0.00 C ATOM 286 C ALA A 31 -3.066 -13.563 6.666 1.00 0.00 C ATOM 287 O ALA A 31 -2.532 -14.584 7.090 1.00 0.00 O ATOM 288 CB ALA A 31 -2.016 -11.898 8.150 1.00 0.00 C ATOM 0 H ALA A 31 -4.149 -11.451 5.981 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.457 -12.289 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.372 -12.677 8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.503 -10.938 8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.938 -11.849 8.729 1.00 0.00 H new ATOM 290 N PHE A 32 -4.321 -13.523 6.234 1.00 0.00 N ATOM 291 CA PHE A 32 -5.160 -14.713 6.192 1.00 0.00 C ATOM 292 C PHE A 32 -5.365 -15.214 4.777 1.00 0.00 C ATOM 293 O PHE A 32 -5.966 -16.277 4.647 1.00 0.00 O ATOM 294 CB PHE A 32 -6.498 -14.431 6.869 1.00 0.00 C ATOM 295 CG PHE A 32 -6.271 -14.347 8.372 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.113 -15.516 9.105 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.217 -13.107 8.994 1.00 0.00 C ATOM 298 CE1 PHE A 32 -5.897 -15.443 10.474 1.00 0.00 C ATOM 299 CE2 PHE A 32 -6.008 -13.037 10.364 1.00 0.00 C ATOM 300 CZ PHE A 32 -5.847 -14.204 11.103 1.00 0.00 C ATOM 0 H PHE A 32 -4.781 -12.674 5.906 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.645 -15.505 6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.921 -13.498 6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.213 -15.220 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.158 -16.476 8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.337 -12.203 8.415 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.768 -16.347 11.050 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.970 -12.076 10.856 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.683 -14.148 12.169 1.00 0.00 H new ATOM 307 N CYS A 33 -4.975 -14.394 3.788 1.00 0.00 N ATOM 308 CA CYS A 33 -5.131 -14.732 2.356 1.00 0.00 C ATOM 309 C CYS A 33 -6.452 -15.462 2.116 1.00 0.00 C ATOM 310 O CYS A 33 -6.492 -16.512 1.470 1.00 0.00 O ATOM 311 CB CYS A 33 -3.913 -15.527 1.828 1.00 0.00 C ATOM 312 SG CYS A 33 -2.345 -14.592 1.635 1.00 0.00 S ATOM 0 H CYS A 33 -4.545 -13.484 3.952 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.165 -13.804 1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.731 -16.362 2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.177 -15.953 0.860 1.00 0.00 H new ATOM 314 N SER A 34 -7.469 -15.012 2.844 1.00 0.00 N ATOM 315 CA SER A 34 -8.754 -15.716 2.879 1.00 0.00 C ATOM 316 C SER A 34 -9.637 -15.184 1.765 1.00 0.00 C ATOM 317 O SER A 34 -10.853 -15.192 1.934 1.00 0.00 O ATOM 318 CB SER A 34 -9.464 -15.524 4.224 1.00 0.00 C ATOM 319 OG SER A 34 -8.808 -16.282 5.236 1.00 0.00 O ATOM 0 H SER A 34 -7.433 -14.168 3.416 1.00 0.00 H new ATOM 0 HA SER A 34 -8.567 -16.781 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.468 -14.468 4.495 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.505 -15.836 4.142 1.00 0.00 H new ATOM 0 HG SER A 34 -7.863 -16.392 5.001 1.00 0.00 H new ATOM 322 N SER A 35 -8.989 -14.739 0.681 1.00 0.00 N ATOM 323 CA SER A 35 -9.614 -14.122 -0.510 1.00 0.00 C ATOM 324 C SER A 35 -9.553 -12.609 -0.376 1.00 0.00 C ATOM 325 O SER A 35 -8.780 -12.133 0.461 1.00 0.00 O ATOM 326 CB SER A 35 -11.063 -14.562 -0.762 1.00 0.00 C ATOM 327 OG SER A 35 -11.046 -15.972 -0.941 1.00 0.00 O ATOM 0 H SER A 35 -7.974 -14.798 0.600 1.00 0.00 H new ATOM 0 HA SER A 35 -9.044 -14.467 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.701 -14.288 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.468 -14.066 -1.644 1.00 0.00 H new ATOM 0 HG SER A 35 -11.958 -16.292 -1.103 1.00 0.00 H new ATOM 330 N ARG A 36 -10.326 -11.913 -1.218 1.00 0.00 N ATOM 331 CA ARG A 36 -10.432 -10.442 -1.251 1.00 0.00 C ATOM 332 C ARG A 36 -9.029 -9.802 -1.414 1.00 0.00 C ATOM 333 O ARG A 36 -8.177 -10.317 -2.137 1.00 0.00 O ATOM 334 CB ARG A 36 -11.215 -9.966 -0.001 1.00 0.00 C ATOM 335 CG ARG A 36 -10.429 -10.120 1.310 1.00 0.00 C ATOM 336 CD ARG A 36 -10.797 -9.170 2.411 1.00 0.00 C ATOM 337 NE ARG A 36 -9.784 -9.255 3.475 1.00 0.00 N ATOM 338 CZ ARG A 36 -10.057 -8.835 4.708 1.00 0.00 C ATOM 339 NH1 ARG A 36 -11.243 -8.339 5.004 1.00 0.00 N ATOM 340 NH2 ARG A 36 -9.159 -8.918 5.667 1.00 0.00 N ATOM 0 H ARG A 36 -10.914 -12.367 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.998 -10.109 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.489 -8.919 -0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.144 -10.531 0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.565 -11.138 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.368 -9.998 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.854 -8.152 2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.782 -9.417 2.808 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.863 -9.640 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.963 -8.274 4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.440 -8.020 5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.238 -9.309 5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.385 -8.591 6.607 1.00 0.00 H new ATOM 347 N GLY A 37 -8.786 -8.778 -0.597 1.00 0.00 N ATOM 348 CA GLY A 37 -7.484 -8.130 -0.431 1.00 0.00 C ATOM 349 C GLY A 37 -7.708 -6.659 -0.654 1.00 0.00 C ATOM 350 O GLY A 37 -7.743 -6.370 -1.839 1.00 0.00 O ATOM 0 H GLY A 37 -9.512 -8.363 -0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.083 -8.315 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.760 -8.525 -1.144 1.00 0.00 H new ATOM 352 N LYS A 38 -8.070 -5.993 0.450 1.00 0.00 N ATOM 353 CA LYS A 38 -8.331 -4.547 0.597 1.00 0.00 C ATOM 354 C LYS A 38 -7.613 -3.871 1.772 1.00 0.00 C ATOM 355 O LYS A 38 -7.817 -2.715 2.139 1.00 0.00 O ATOM 356 CB LYS A 38 -9.854 -4.300 0.606 1.00 0.00 C ATOM 357 CG LYS A 38 -10.188 -2.806 0.688 1.00 0.00 C ATOM 358 CD LYS A 38 -11.574 -2.431 0.253 1.00 0.00 C ATOM 359 CE LYS A 38 -11.557 -0.913 0.253 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.939 -0.510 0.170 1.00 0.00 N ATOM 0 H LYS A 38 -8.199 -6.485 1.334 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.889 -4.058 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.296 -4.722 -0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.301 -4.820 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.047 -2.476 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.472 -2.257 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.804 -2.828 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.327 -2.822 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.090 -0.526 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.985 -0.527 -0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.034 0.264 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.519 -1.318 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.262 -0.185 1.103 1.00 0.00 H new ATOM 365 N VAL A 39 -6.753 -4.654 2.394 1.00 0.00 N ATOM 366 CA VAL A 39 -6.050 -4.172 3.582 1.00 0.00 C ATOM 367 C VAL A 39 -4.550 -4.210 3.318 1.00 0.00 C ATOM 368 O VAL A 39 -3.820 -5.131 3.681 1.00 0.00 O ATOM 369 CB VAL A 39 -6.449 -4.999 4.801 1.00 0.00 C ATOM 370 CG1 VAL A 39 -5.615 -4.615 6.033 1.00 0.00 C ATOM 371 CG2 VAL A 39 -7.941 -4.906 5.139 1.00 0.00 C ATOM 0 H VAL A 39 -6.523 -5.606 2.110 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.329 -3.140 3.797 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.243 -6.034 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.923 -5.222 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.559 -4.789 5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.770 -3.561 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.154 -5.518 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.203 -3.869 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.529 -5.265 4.294 1.00 0.00 H new ATOM 373 N VAL A 40 -4.145 -3.118 2.692 1.00 0.00 N ATOM 374 CA VAL A 40 -2.730 -2.922 2.402 1.00 0.00 C ATOM 375 C VAL A 40 -2.196 -1.864 3.394 1.00 0.00 C ATOM 376 O VAL A 40 -2.853 -1.475 4.353 1.00 0.00 O ATOM 377 CB VAL A 40 -2.547 -2.601 0.906 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.111 -2.669 0.449 1.00 0.00 C ATOM 379 CG2 VAL A 40 -3.033 -3.691 -0.020 1.00 0.00 C ATOM 0 H VAL A 40 -4.759 -2.366 2.379 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.131 -3.819 2.556 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.053 -1.637 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.056 -2.432 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.515 -1.951 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.723 -3.674 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.869 -3.389 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.484 -4.611 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.097 -3.861 0.145 1.00 0.00 H new ATOM 381 N GLU A 41 -0.982 -1.428 3.134 1.00 0.00 N ATOM 382 CA GLU A 41 -0.232 -0.446 3.927 1.00 0.00 C ATOM 383 C GLU A 41 0.372 0.636 3.085 1.00 0.00 C ATOM 384 O GLU A 41 0.083 1.775 3.438 1.00 0.00 O ATOM 385 CB GLU A 41 0.948 -1.034 4.651 1.00 0.00 C ATOM 386 CG GLU A 41 0.478 -1.812 5.846 1.00 0.00 C ATOM 387 CD GLU A 41 -0.252 -1.072 6.921 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.481 -0.895 6.783 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.497 -0.793 7.874 1.00 0.00 O ATOM 0 H GLU A 41 -0.455 -1.758 2.326 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.986 -0.070 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.510 -1.684 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.625 -0.240 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.172 -2.611 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.348 -2.287 6.299 1.00 0.00 H new ATOM 391 N LEU A 42 1.086 0.259 2.019 1.00 0.00 N ATOM 392 CA LEU A 42 1.513 1.196 0.961 1.00 0.00 C ATOM 393 C LEU A 42 1.118 2.653 1.159 1.00 0.00 C ATOM 394 O LEU A 42 0.099 3.140 0.782 1.00 0.00 O ATOM 395 CB LEU A 42 0.983 0.692 -0.359 1.00 0.00 C ATOM 396 CG LEU A 42 -0.469 0.457 -0.676 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.298 0.378 0.549 1.00 0.00 C ATOM 398 CD2 LEU A 42 -0.953 1.744 -1.166 1.00 0.00 C ATOM 0 H LEU A 42 1.387 -0.703 1.860 1.00 0.00 H new ATOM 0 HA LEU A 42 2.602 1.210 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.344 1.392 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.486 -0.258 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.535 -0.429 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.339 0.208 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.948 -0.445 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.218 1.313 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.009 1.662 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.825 2.500 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.387 2.032 -2.052 1.00 0.00 H new ATOM 400 N GLY A 43 1.863 3.265 2.015 1.00 0.00 N ATOM 401 CA GLY A 43 1.521 4.444 2.792 1.00 0.00 C ATOM 402 C GLY A 43 2.551 5.515 2.675 1.00 0.00 C ATOM 403 O GLY A 43 2.350 6.584 3.232 1.00 0.00 O ATOM 0 H GLY A 43 2.808 2.940 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.558 4.830 2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.406 4.166 3.840 1.00 0.00 H new ATOM 405 N CYS A 44 3.703 4.969 2.325 1.00 0.00 N ATOM 406 CA CYS A 44 5.038 5.472 2.575 1.00 0.00 C ATOM 407 C CYS A 44 5.119 5.970 3.999 1.00 0.00 C ATOM 408 O CYS A 44 4.187 5.937 4.798 1.00 0.00 O ATOM 409 CB CYS A 44 5.378 6.406 1.449 1.00 0.00 C ATOM 410 SG CYS A 44 6.497 7.824 1.563 1.00 0.00 S ATOM 0 H CYS A 44 3.727 4.086 1.815 1.00 0.00 H new ATOM 0 HA CYS A 44 5.831 4.725 2.550 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.775 5.778 0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.427 6.806 1.097 1.00 0.00 H new ATOM 412 N ALA A 45 6.353 6.181 4.357 1.00 0.00 N ATOM 413 CA ALA A 45 6.634 6.511 5.752 1.00 0.00 C ATOM 414 C ALA A 45 8.020 7.128 5.860 1.00 0.00 C ATOM 415 O ALA A 45 8.722 6.790 6.803 1.00 0.00 O ATOM 416 CB ALA A 45 6.501 5.237 6.611 1.00 0.00 C ATOM 0 H ALA A 45 7.164 6.137 3.740 1.00 0.00 H new ATOM 0 HA ALA A 45 5.917 7.244 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.710 5.478 7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.488 4.844 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.211 4.487 6.262 1.00 0.00 H new ATOM 418 N ALA A 46 8.409 7.911 4.839 1.00 0.00 N ATOM 419 CA ALA A 46 9.696 8.644 4.737 1.00 0.00 C ATOM 420 C ALA A 46 10.287 8.422 3.341 1.00 0.00 C ATOM 421 O ALA A 46 9.952 9.139 2.405 1.00 0.00 O ATOM 422 CB ALA A 46 10.778 8.336 5.800 1.00 0.00 C ATOM 0 H ALA A 46 7.814 8.061 4.024 1.00 0.00 H new ATOM 0 HA ALA A 46 9.426 9.682 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.663 8.941 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.391 8.570 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.043 7.280 5.754 1.00 0.00 H new ATOM 424 N THR A 47 11.114 7.388 3.213 1.00 0.00 N ATOM 425 CA THR A 47 11.789 7.056 1.948 1.00 0.00 C ATOM 426 C THR A 47 11.709 5.552 1.699 1.00 0.00 C ATOM 427 O THR A 47 12.733 4.915 1.525 1.00 0.00 O ATOM 428 CB THR A 47 13.251 7.562 1.973 1.00 0.00 C ATOM 429 OG1 THR A 47 13.222 8.985 2.025 1.00 0.00 O ATOM 430 CG2 THR A 47 14.122 7.184 0.765 1.00 0.00 C ATOM 0 H THR A 47 11.339 6.753 3.979 1.00 0.00 H new ATOM 0 HA THR A 47 11.286 7.558 1.122 1.00 0.00 H new ATOM 0 HB THR A 47 13.702 7.080 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.139 9.330 2.043 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.123 7.594 0.896 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.182 6.099 0.685 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.679 7.591 -0.144 1.00 0.00 H new ATOM 433 N CYS A 48 10.526 4.955 1.858 1.00 0.00 N ATOM 434 CA CYS A 48 10.356 3.503 1.602 1.00 0.00 C ATOM 435 C CYS A 48 11.543 2.738 2.212 1.00 0.00 C ATOM 436 O CYS A 48 12.524 2.435 1.523 1.00 0.00 O ATOM 437 CB CYS A 48 10.275 3.138 0.101 1.00 0.00 C ATOM 438 SG CYS A 48 9.647 1.431 -0.194 1.00 0.00 S ATOM 0 H CYS A 48 9.678 5.436 2.157 1.00 0.00 H new ATOM 0 HA CYS A 48 9.407 3.224 2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.624 3.851 -0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.265 3.237 -0.345 1.00 0.00 H new ATOM 440 N PRO A 49 11.507 2.533 3.529 1.00 0.00 N ATOM 441 CA PRO A 49 12.608 1.866 4.232 1.00 0.00 C ATOM 442 C PRO A 49 12.720 0.387 3.837 1.00 0.00 C ATOM 443 O PRO A 49 13.404 -0.369 4.520 1.00 0.00 O ATOM 444 CB PRO A 49 12.256 2.054 5.707 1.00 0.00 C ATOM 445 CG PRO A 49 10.728 2.107 5.730 1.00 0.00 C ATOM 446 CD PRO A 49 10.351 2.780 4.413 1.00 0.00 C ATOM 0 HA PRO A 49 13.585 2.281 3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.634 1.231 6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.691 2.970 6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.297 1.109 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.363 2.676 6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.436 2.357 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.175 3.847 4.548 1.00 0.00 H new ATOM 447 N SER A 50 12.024 0.006 2.758 1.00 0.00 N ATOM 448 CA SER A 50 11.942 -1.369 2.236 1.00 0.00 C ATOM 449 C SER A 50 11.113 -2.263 3.142 1.00 0.00 C ATOM 450 O SER A 50 10.146 -2.842 2.662 1.00 0.00 O ATOM 451 CB SER A 50 13.315 -2.023 2.068 1.00 0.00 C ATOM 452 OG SER A 50 14.053 -1.298 1.091 1.00 0.00 O ATOM 0 H SER A 50 11.482 0.669 2.203 1.00 0.00 H new ATOM 0 HA SER A 50 11.469 -1.273 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.850 -2.027 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.203 -3.063 1.761 1.00 0.00 H new ATOM 0 HG SER A 50 14.936 -1.708 0.977 1.00 0.00 H new ATOM 455 N LYS A 51 11.398 -2.187 4.448 1.00 0.00 N ATOM 456 CA LYS A 51 10.747 -2.977 5.503 1.00 0.00 C ATOM 457 C LYS A 51 11.231 -4.425 5.394 1.00 0.00 C ATOM 458 O LYS A 51 12.429 -4.692 5.389 1.00 0.00 O ATOM 459 CB LYS A 51 9.223 -2.870 5.388 1.00 0.00 C ATOM 460 CG LYS A 51 8.779 -1.423 5.378 1.00 0.00 C ATOM 461 CD LYS A 51 7.299 -1.483 5.121 1.00 0.00 C ATOM 462 CE LYS A 51 6.531 -1.771 6.416 1.00 0.00 C ATOM 463 NZ LYS A 51 5.083 -1.726 6.126 1.00 0.00 N ATOM 0 H LYS A 51 12.110 -1.554 4.812 1.00 0.00 H new ATOM 0 HA LYS A 51 11.015 -2.591 6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.888 -3.363 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.754 -3.392 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.997 -0.935 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.293 -0.856 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.961 -0.538 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.084 -2.259 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.808 -2.749 6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.787 -1.036 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.560 -1.512 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.893 -0.987 5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.775 -2.647 5.755 1.00 0.00 H new ATOM 468 N LYS A 52 10.276 -5.336 5.433 1.00 0.00 N ATOM 469 CA LYS A 52 10.526 -6.765 5.390 1.00 0.00 C ATOM 470 C LYS A 52 9.750 -7.424 4.250 1.00 0.00 C ATOM 471 O LYS A 52 8.967 -6.751 3.582 1.00 0.00 O ATOM 472 CB LYS A 52 10.108 -7.266 6.768 1.00 0.00 C ATOM 473 CG LYS A 52 11.196 -6.921 7.772 1.00 0.00 C ATOM 474 CD LYS A 52 10.875 -7.630 9.075 1.00 0.00 C ATOM 475 CE LYS A 52 11.813 -7.112 10.153 1.00 0.00 C ATOM 476 NZ LYS A 52 11.550 -7.826 11.403 1.00 0.00 N ATOM 0 H LYS A 52 9.286 -5.099 5.497 1.00 0.00 H new ATOM 0 HA LYS A 52 11.568 -7.011 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.164 -6.809 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.946 -8.344 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.171 -7.233 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.244 -5.843 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.838 -7.450 9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.991 -8.707 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.850 -7.256 9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.668 -6.041 10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.189 -7.475 12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.564 -7.667 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.709 -8.844 11.262 1.00 0.00 H new ATOM 481 N PRO A 53 9.980 -8.724 4.047 1.00 0.00 N ATOM 482 CA PRO A 53 9.284 -9.504 3.023 1.00 0.00 C ATOM 483 C PRO A 53 7.827 -9.691 3.440 1.00 0.00 C ATOM 484 O PRO A 53 6.973 -8.954 2.952 1.00 0.00 O ATOM 485 CB PRO A 53 10.100 -10.797 2.926 1.00 0.00 C ATOM 486 CG PRO A 53 10.671 -11.002 4.329 1.00 0.00 C ATOM 487 CD PRO A 53 10.959 -9.575 4.763 1.00 0.00 C ATOM 0 HA PRO A 53 9.226 -9.036 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.475 -11.638 2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.894 -10.709 2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.959 -11.494 4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.572 -11.615 4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.854 -9.467 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.981 -9.290 4.512 1.00 0.00 H new ATOM 488 N TYR A 54 7.614 -10.548 4.448 1.00 0.00 N ATOM 489 CA TYR A 54 6.293 -10.955 4.971 1.00 0.00 C ATOM 490 C TYR A 54 5.277 -10.993 3.820 1.00 0.00 C ATOM 491 O TYR A 54 5.691 -11.140 2.686 1.00 0.00 O ATOM 492 CB TYR A 54 5.922 -9.984 6.100 1.00 0.00 C ATOM 493 CG TYR A 54 4.553 -10.293 6.713 1.00 0.00 C ATOM 494 CD1 TYR A 54 4.384 -11.460 7.447 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.459 -9.500 6.390 1.00 0.00 C ATOM 496 CE1 TYR A 54 3.121 -11.835 7.869 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.188 -9.886 6.799 1.00 0.00 C ATOM 498 CZ TYR A 54 2.037 -11.049 7.532 1.00 0.00 C ATOM 499 OH TYR A 54 0.817 -11.363 7.994 1.00 0.00 O ATOM 0 H TYR A 54 8.384 -10.997 4.944 1.00 0.00 H new ATOM 0 HA TYR A 54 6.304 -11.961 5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.684 -10.029 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.922 -8.965 5.713 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.239 -12.075 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.595 -8.590 5.825 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.985 -12.732 8.455 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.327 -9.284 6.547 1.00 0.00 H new ATOM 0 HH TYR A 54 0.604 -10.798 8.766 1.00 0.00 H new ATOM 506 N GLU A 55 3.990 -10.888 4.139 1.00 0.00 N ATOM 507 CA GLU A 55 2.878 -10.787 3.195 1.00 0.00 C ATOM 508 C GLU A 55 3.317 -10.163 1.858 1.00 0.00 C ATOM 509 O GLU A 55 3.935 -10.800 1.019 1.00 0.00 O ATOM 510 CB GLU A 55 1.766 -9.954 3.848 1.00 0.00 C ATOM 511 CG GLU A 55 0.409 -10.461 3.434 1.00 0.00 C ATOM 512 CD GLU A 55 0.348 -10.317 1.930 1.00 0.00 C ATOM 513 OE1 GLU A 55 0.029 -9.170 1.562 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.694 -11.276 1.209 1.00 0.00 O ATOM 0 H GLU A 55 3.678 -10.870 5.110 1.00 0.00 H new ATOM 0 HA GLU A 55 2.512 -11.788 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.861 -9.998 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.872 -8.908 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.274 -11.501 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.384 -9.887 3.913 1.00 0.00 H new ATOM 516 N GLU A 56 2.897 -8.935 1.619 1.00 0.00 N ATOM 517 CA GLU A 56 3.223 -8.250 0.373 1.00 0.00 C ATOM 518 C GLU A 56 3.989 -7.010 0.742 1.00 0.00 C ATOM 519 O GLU A 56 3.750 -6.453 1.807 1.00 0.00 O ATOM 520 CB GLU A 56 1.957 -7.867 -0.378 1.00 0.00 C ATOM 521 CG GLU A 56 1.293 -9.108 -0.970 1.00 0.00 C ATOM 522 CD GLU A 56 2.105 -9.722 -2.088 1.00 0.00 C ATOM 523 OE1 GLU A 56 2.984 -10.550 -1.775 1.00 0.00 O ATOM 524 OE2 GLU A 56 1.837 -9.287 -3.225 1.00 0.00 O ATOM 0 H GLU A 56 2.330 -8.388 2.267 1.00 0.00 H new ATOM 0 HA GLU A 56 3.809 -8.901 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.265 -7.363 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.198 -7.161 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.146 -9.848 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.305 -8.843 -1.346 1.00 0.00 H new ATOM 526 N VAL A 57 4.819 -6.590 -0.197 1.00 0.00 N ATOM 527 CA VAL A 57 5.716 -5.428 -0.032 1.00 0.00 C ATOM 528 C VAL A 57 6.181 -5.044 -1.441 1.00 0.00 C ATOM 529 O VAL A 57 5.842 -5.691 -2.427 1.00 0.00 O ATOM 530 CB VAL A 57 6.944 -5.784 0.844 1.00 0.00 C ATOM 531 CG1 VAL A 57 8.029 -4.714 1.005 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.548 -6.000 2.283 1.00 0.00 C ATOM 0 H VAL A 57 4.900 -7.041 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 57 5.194 -4.610 0.465 1.00 0.00 H new ATOM 0 HB VAL A 57 7.326 -6.648 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.827 -5.097 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.436 -4.459 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.597 -3.824 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.432 -6.248 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.095 -5.090 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.831 -6.818 2.344 1.00 0.00 H new ATOM 534 N THR A 58 6.904 -3.934 -1.488 1.00 0.00 N ATOM 535 CA THR A 58 7.567 -3.410 -2.696 1.00 0.00 C ATOM 536 C THR A 58 8.213 -2.062 -2.335 1.00 0.00 C ATOM 537 O THR A 58 8.298 -1.726 -1.159 1.00 0.00 O ATOM 538 CB THR A 58 6.511 -3.299 -3.801 1.00 0.00 C ATOM 539 OG1 THR A 58 6.995 -2.754 -5.019 1.00 0.00 O ATOM 540 CG2 THR A 58 5.464 -2.349 -3.331 1.00 0.00 C ATOM 0 H THR A 58 7.056 -3.348 -0.667 1.00 0.00 H new ATOM 0 HA THR A 58 8.358 -4.064 -3.063 1.00 0.00 H new ATOM 0 HB THR A 58 6.161 -4.314 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.266 -2.717 -5.673 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.695 -2.247 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.014 -2.728 -2.413 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.916 -1.376 -3.139 1.00 0.00 H new ATOM 543 N CYS A 59 8.352 -1.218 -3.355 1.00 0.00 N ATOM 544 CA CYS A 59 8.982 0.104 -3.297 1.00 0.00 C ATOM 545 C CYS A 59 9.015 0.682 -4.712 1.00 0.00 C ATOM 546 O CYS A 59 9.735 0.211 -5.590 1.00 0.00 O ATOM 547 CB CYS A 59 10.420 0.000 -2.769 1.00 0.00 C ATOM 548 SG CYS A 59 10.658 -0.179 -0.961 1.00 0.00 S ATOM 0 H CYS A 59 8.013 -1.446 -4.290 1.00 0.00 H new ATOM 0 HA CYS A 59 8.410 0.744 -2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.894 -0.853 -3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.960 0.891 -3.091 1.00 0.00 H new ATOM 550 N CYS A 60 8.150 1.659 -4.922 1.00 0.00 N ATOM 551 CA CYS A 60 8.117 2.350 -6.218 1.00 0.00 C ATOM 552 C CYS A 60 8.581 3.769 -6.007 1.00 0.00 C ATOM 553 O CYS A 60 9.188 4.028 -4.964 1.00 0.00 O ATOM 554 CB CYS A 60 6.707 2.292 -6.762 1.00 0.00 C ATOM 555 SG CYS A 60 6.328 0.507 -6.933 1.00 0.00 S ATOM 0 H CYS A 60 7.473 1.992 -4.236 1.00 0.00 H new ATOM 0 HA CYS A 60 8.777 1.876 -6.944 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.004 2.780 -6.087 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.634 2.803 -7.722 1.00 0.00 H new ATOM 557 N SER A 61 8.123 4.653 -6.911 1.00 0.00 N ATOM 558 CA SER A 61 8.561 6.052 -6.984 1.00 0.00 C ATOM 559 C SER A 61 8.552 6.680 -8.369 1.00 0.00 C ATOM 560 O SER A 61 9.462 7.384 -8.814 1.00 0.00 O ATOM 561 CB SER A 61 10.007 6.112 -6.604 1.00 0.00 C ATOM 562 OG SER A 61 11.024 5.452 -7.315 1.00 0.00 O ATOM 0 H SER A 61 7.430 4.410 -7.619 1.00 0.00 H new ATOM 0 HA SER A 61 7.859 6.582 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.277 7.168 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.069 5.754 -5.576 1.00 0.00 H new ATOM 0 HG SER A 61 11.065 5.804 -8.229 1.00 0.00 H new ATOM 565 N THR A 62 7.475 6.411 -9.063 1.00 0.00 N ATOM 566 CA THR A 62 7.367 6.893 -10.449 1.00 0.00 C ATOM 567 C THR A 62 5.992 7.503 -10.645 1.00 0.00 C ATOM 568 O THR A 62 5.378 7.201 -11.654 1.00 0.00 O ATOM 569 CB THR A 62 7.656 5.753 -11.457 1.00 0.00 C ATOM 570 OG1 THR A 62 9.020 5.383 -11.310 1.00 0.00 O ATOM 571 CG2 THR A 62 7.483 6.063 -12.954 1.00 0.00 C ATOM 0 H THR A 62 6.675 5.879 -8.720 1.00 0.00 H new ATOM 0 HA THR A 62 8.117 7.661 -10.637 1.00 0.00 H new ATOM 0 HB THR A 62 6.914 4.993 -11.211 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.232 4.660 -11.936 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.719 5.174 -13.539 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.453 6.362 -13.147 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.155 6.873 -13.238 1.00 0.00 H new ATOM 574 N ASP A 63 5.474 8.199 -9.626 1.00 0.00 N ATOM 575 CA ASP A 63 4.121 8.804 -9.641 1.00 0.00 C ATOM 576 C ASP A 63 3.183 7.974 -8.778 1.00 0.00 C ATOM 577 O ASP A 63 2.104 8.456 -8.478 1.00 0.00 O ATOM 578 CB ASP A 63 3.484 8.873 -11.037 1.00 0.00 C ATOM 579 CG ASP A 63 2.293 9.751 -11.224 1.00 0.00 C ATOM 580 OD1 ASP A 63 1.202 9.243 -10.894 1.00 0.00 O ATOM 581 OD2 ASP A 63 2.555 10.861 -11.720 1.00 0.00 O ATOM 0 H ASP A 63 5.981 8.364 -8.756 1.00 0.00 H new ATOM 0 HA ASP A 63 4.254 9.820 -9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.252 9.200 -11.738 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.200 7.861 -11.324 1.00 0.00 H new ATOM 583 N LYS A 64 3.456 6.692 -8.610 1.00 0.00 N ATOM 584 CA LYS A 64 2.605 5.778 -7.831 1.00 0.00 C ATOM 585 C LYS A 64 3.077 4.361 -8.079 1.00 0.00 C ATOM 586 O LYS A 64 3.998 4.193 -8.877 1.00 0.00 O ATOM 587 CB LYS A 64 1.169 5.853 -8.321 1.00 0.00 C ATOM 588 CG LYS A 64 0.209 5.153 -7.396 1.00 0.00 C ATOM 589 CD LYS A 64 -1.083 5.548 -8.011 1.00 0.00 C ATOM 590 CE LYS A 64 -1.995 4.336 -7.831 1.00 0.00 C ATOM 591 NZ LYS A 64 -3.341 4.510 -7.729 1.00 0.00 N ATOM 0 H LYS A 64 4.279 6.242 -9.010 1.00 0.00 H new ATOM 0 HA LYS A 64 2.662 6.053 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.876 6.898 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.103 5.407 -9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.353 4.073 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.301 5.495 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.498 6.430 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.959 5.795 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.817 3.667 -8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.666 3.812 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.676 4.110 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.563 5.526 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.814 4.028 -8.520 1.00 0.00 H new ATOM 596 N CYS A 65 2.531 3.457 -7.256 1.00 0.00 N ATOM 597 CA CYS A 65 2.677 2.002 -7.388 1.00 0.00 C ATOM 598 C CYS A 65 2.339 1.315 -6.079 1.00 0.00 C ATOM 599 O CYS A 65 3.162 0.734 -5.372 1.00 0.00 O ATOM 600 CB CYS A 65 4.115 1.749 -7.667 1.00 0.00 C ATOM 601 SG CYS A 65 4.670 0.085 -8.032 1.00 0.00 S ATOM 0 H CYS A 65 1.958 3.726 -6.456 1.00 0.00 H new ATOM 0 HA CYS A 65 2.018 1.626 -8.170 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.399 2.379 -8.510 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.681 2.099 -6.803 1.00 0.00 H new ATOM 603 N ASN A 66 1.135 1.655 -5.683 1.00 0.00 N ATOM 604 CA ASN A 66 0.556 1.091 -4.481 1.00 0.00 C ATOM 605 C ASN A 66 -0.963 1.088 -4.569 1.00 0.00 C ATOM 606 O ASN A 66 -1.635 1.572 -3.680 1.00 0.00 O ATOM 607 CB ASN A 66 1.217 1.871 -3.357 1.00 0.00 C ATOM 608 CG ASN A 66 0.813 3.314 -3.355 1.00 0.00 C ATOM 609 OD1 ASN A 66 0.004 3.922 -2.671 1.00 0.00 O ATOM 610 ND2 ASN A 66 1.380 3.894 -4.334 1.00 0.00 N ATOM 0 H ASN A 66 0.536 2.319 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 66 0.748 0.032 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.953 1.420 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.300 1.799 -3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.159 4.867 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.056 3.387 -4.905 1.00 0.00 H new ATOM 614 N PRO A 67 -1.509 0.616 -5.681 1.00 0.00 N ATOM 615 CA PRO A 67 -2.939 0.574 -5.917 1.00 0.00 C ATOM 616 C PRO A 67 -3.656 -0.372 -4.994 1.00 0.00 C ATOM 617 O PRO A 67 -3.224 -0.567 -3.861 1.00 0.00 O ATOM 618 CB PRO A 67 -3.151 0.539 -7.418 1.00 0.00 C ATOM 619 CG PRO A 67 -1.973 -0.324 -7.826 1.00 0.00 C ATOM 620 CD PRO A 67 -0.854 0.036 -6.859 1.00 0.00 C ATOM 0 HA PRO A 67 -3.472 1.473 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.108 0.096 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.117 1.531 -7.868 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.221 -1.383 -7.762 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.680 -0.127 -8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.274 -0.846 -6.588 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.162 0.747 -7.310 1.00 0.00 H new ATOM 621 N HIS A 68 -4.831 -0.774 -5.469 1.00 0.00 N ATOM 622 CA HIS A 68 -5.605 -1.810 -4.798 1.00 0.00 C ATOM 623 C HIS A 68 -6.940 -1.980 -5.515 1.00 0.00 C ATOM 624 O HIS A 68 -7.685 -1.007 -5.648 1.00 0.00 O ATOM 625 CB HIS A 68 -5.774 -1.454 -3.319 1.00 0.00 C ATOM 626 CG HIS A 68 -6.603 -2.354 -2.440 1.00 0.00 C ATOM 627 ND1 HIS A 68 -7.687 -1.931 -1.865 1.00 0.00 N ATOM 628 CD2 HIS A 68 -6.722 -3.669 -2.562 1.00 0.00 C ATOM 629 CE1 HIS A 68 -8.581 -2.825 -1.876 1.00 0.00 C ATOM 630 NE2 HIS A 68 -7.958 -3.912 -2.215 1.00 0.00 N ATOM 0 H HIS A 68 -5.266 -0.399 -6.312 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.083 -2.766 -4.839 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.778 -1.392 -2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.207 -0.455 -3.269 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.970 -4.377 -2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.631 -2.710 -1.653 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -8.381 -4.840 -2.211 1.00 0.00 H new ATOM 633 N PRO A 69 -7.171 -3.203 -5.991 1.00 0.00 N ATOM 634 CA PRO A 69 -8.410 -3.554 -6.697 1.00 0.00 C ATOM 635 C PRO A 69 -9.566 -3.633 -5.703 1.00 0.00 C ATOM 636 O PRO A 69 -9.406 -3.173 -4.582 1.00 0.00 O ATOM 637 CB PRO A 69 -8.077 -4.903 -7.333 1.00 0.00 C ATOM 638 CG PRO A 69 -7.077 -5.548 -6.374 1.00 0.00 C ATOM 639 CD PRO A 69 -6.267 -4.367 -5.856 1.00 0.00 C ATOM 0 HA PRO A 69 -8.728 -2.827 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.970 -5.518 -7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.648 -4.777 -8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.581 -6.075 -5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.445 -6.276 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.967 -4.517 -4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.354 -4.229 -6.435 1.00 0.00 H new ATOM 640 N LYS A 70 -10.687 -4.210 -6.126 1.00 0.00 N ATOM 641 CA LYS A 70 -11.882 -4.422 -5.289 1.00 0.00 C ATOM 642 C LYS A 70 -12.300 -3.086 -4.670 1.00 0.00 C ATOM 643 O LYS A 70 -12.947 -2.276 -5.337 1.00 0.00 O ATOM 644 CB LYS A 70 -11.615 -5.507 -4.234 1.00 0.00 C ATOM 645 CG LYS A 70 -12.871 -5.736 -3.395 1.00 0.00 C ATOM 646 CD LYS A 70 -12.579 -6.745 -2.299 1.00 0.00 C ATOM 647 CE LYS A 70 -13.769 -6.807 -1.350 1.00 0.00 C ATOM 648 NZ LYS A 70 -13.507 -7.815 -0.323 1.00 0.00 N ATOM 0 H LYS A 70 -10.801 -4.554 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.710 -4.784 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.318 -6.436 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.788 -5.206 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.203 -4.795 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.682 -6.097 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.392 -7.727 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.679 -6.460 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.934 -5.833 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.676 -7.057 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.359 -7.949 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.253 -8.715 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.722 -7.499 0.282 1.00 0.00 H new ATOM 653 N GLN A 71 -11.809 -2.828 -3.465 1.00 0.00 N ATOM 654 CA GLN A 71 -12.065 -1.560 -2.797 1.00 0.00 C ATOM 655 C GLN A 71 -13.554 -1.506 -2.455 1.00 0.00 C ATOM 656 O GLN A 71 -14.201 -2.530 -2.219 1.00 0.00 O ATOM 657 CB GLN A 71 -11.616 -0.340 -3.623 1.00 0.00 C ATOM 658 CG GLN A 71 -10.123 -0.307 -3.899 1.00 0.00 C ATOM 659 CD GLN A 71 -9.321 0.169 -2.693 1.00 0.00 C ATOM 660 OE1 GLN A 71 -9.719 0.213 -1.548 1.00 0.00 O ATOM 661 NE2 GLN A 71 -8.056 0.369 -2.899 1.00 0.00 N ATOM 0 H GLN A 71 -11.232 -3.479 -2.932 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.467 -1.509 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.152 -0.337 -4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.899 0.570 -3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.787 -1.304 -4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.927 0.351 -4.745 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.683 0.340 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.434 0.555 -2.112 1.00 0.00 H new ATOM 665 N ARG A 72 -13.990 -0.291 -2.186 1.00 0.00 N ATOM 666 CA ARG A 72 -15.376 -0.029 -1.819 1.00 0.00 C ATOM 667 C ARG A 72 -15.755 1.325 -2.377 1.00 0.00 C ATOM 668 O ARG A 72 -15.159 2.343 -2.008 1.00 0.00 O ATOM 669 CB ARG A 72 -15.633 -0.055 -0.317 1.00 0.00 C ATOM 670 CG ARG A 72 -17.094 0.061 0.073 1.00 0.00 C ATOM 671 CD ARG A 72 -17.239 -0.214 1.564 1.00 0.00 C ATOM 672 NE ARG A 72 -16.454 0.728 2.381 1.00 0.00 N ATOM 673 CZ ARG A 72 -15.876 0.426 3.542 1.00 0.00 C ATOM 674 NH1 ARG A 72 -15.986 -0.786 4.071 1.00 0.00 N ATOM 675 NH2 ARG A 72 -15.198 1.359 4.193 1.00 0.00 N ATOM 0 H ARG A 72 -13.401 0.541 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.986 -0.830 -2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.234 -0.983 0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.080 0.761 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.467 1.057 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.693 -0.648 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.290 -0.147 1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.917 -1.233 1.777 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.345 1.680 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.521 -1.507 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.535 -0.997 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.122 2.299 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.752 1.138 5.083 1.00 0.00 H new ATOM 682 N PRO A 73 -16.816 1.291 -3.180 1.00 0.00 N ATOM 683 CA PRO A 73 -17.385 2.497 -3.788 1.00 0.00 C ATOM 684 C PRO A 73 -18.182 3.334 -2.766 1.00 0.00 C ATOM 685 O PRO A 73 -19.251 3.854 -3.065 1.00 0.00 O ATOM 686 CB PRO A 73 -18.229 1.929 -4.932 1.00 0.00 C ATOM 687 CG PRO A 73 -18.715 0.574 -4.419 1.00 0.00 C ATOM 688 CD PRO A 73 -17.545 0.067 -3.590 1.00 0.00 C ATOM 0 HA PRO A 73 -16.642 3.209 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.066 2.585 -5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.640 1.820 -5.843 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.619 0.673 -3.818 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.950 -0.105 -5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.889 -0.498 -2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.907 -0.598 -4.171 1.00 0.00 H new ATOM 689 N GLY A 74 -17.627 3.436 -1.551 1.00 0.00 N ATOM 690 CA GLY A 74 -18.272 4.135 -0.421 1.00 0.00 C ATOM 691 C GLY A 74 -17.709 3.710 0.944 1.00 0.00 C ATOM 692 O GLY A 74 -16.539 3.261 0.969 1.00 0.00 O ATOM 693 OXT GLY A 74 -18.474 3.797 1.924 1.00 99.99 O ATOM 0 H GLY A 74 -16.717 3.037 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.142 5.210 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.344 3.939 -0.443 1.00 0.00 H new TER 695 GLY A 74