USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 667 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 62 THR OG1 : rot -77:sc= 1.16 USER MOD Set 1.2: A 81 CYS SG : rot -150:sc= -2.02! USER MOD Set 1.3: A 95 CYS SG : rot -59:sc= -0.0838 USER MOD Set 2.1: A 52 CYS SG : rot 84:sc= 0.793 USER MOD Set 2.2: A 56 ASN : amide:sc= -3.57 K(o=-9.4,f=-11!) USER MOD Set 2.3: A 59 CYS SG : rot -170:sc= -5.18! USER MOD Set 2.4: A 65 CYS SG : rot 141:sc= -1.47 USER MOD Set 3.1: A 48 ASN :FLIP amide:sc= -0.697 F(o=-11,f=-8.1) USER MOD Set 3.2: A 73 ASN : amide:sc= -7.36! C(o=-8.1!,f=-10!) USER MOD Set 4.1: A 32 CYS SG : rot -80:sc= -2.54! USER MOD Set 4.2: A 55 ASN : amide:sc= -0.442 X(o=-3,f=-3.1) USER MOD Set 5.1: A 8 CYS SG : rot 16:sc= 1.19 USER MOD Set 5.2: A 20 CYS SG : rot 180:sc= 0.0315 USER MOD Set 5.3: A 89 TYR OH : rot -89:sc= 1.32 USER MOD Set 5.4: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-7.3!) USER MOD Single : A 11 THR OG1 : rot 59:sc= 0.0392 USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= -1.39 (180deg=-3.77!) USER MOD Single : A 17 ASN : amide:sc= -1.28! K(o=-1.3!,f=-2.2) USER MOD Single : A 27 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 2.39 (180deg=2.34) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.89 X(o=-0.89,f=-0.49) USER MOD Single : A 43 THR OG1 : rot 44:sc= -0.723 USER MOD Single : A 44 CYS SG : rot -146:sc= -13.3! USER MOD Single : A 47 ASN : amide:sc= 0.21 K(o=0.21,f=-4.4!) USER MOD Single : A 49 ASN : amide:sc= 0.0502 X(o=0.05,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.196 F(o=-1.2!,f=-0.2) USER MOD Single : A 67 ASN : amide:sc= -1.04 K(o=-1,f=-2.5!) USER MOD Single : A 70 SER OG : rot 36:sc= 1.18 USER MOD Single : A 71 THR OG1 : rot 121:sc= 1.32 USER MOD Single : A 74 SER OG : rot 180:sc= 0.119 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc=-0.00557 (180deg=-0.0697) USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.605) USER MOD Single : A 79 CYS SG : rot 90:sc= -2.49! USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -5:sc= 0.551 USER MOD Single : A 87 ASN :FLIP amide:sc= -2.6 F(o=-3.4!,f=-2.6) USER MOD Single : A 96 SER OG : rot 180:sc= -0.553 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.085 -8.615 3.818 1.00 0.00 N ATOM 27 CA ASP A 3 -11.797 -8.589 2.551 1.00 0.00 C ATOM 28 C ASP A 3 -11.605 -7.247 1.841 1.00 0.00 C ATOM 29 O ASP A 3 -12.340 -6.313 2.065 1.00 0.00 O ATOM 30 CB ASP A 3 -13.290 -8.840 2.806 1.00 0.00 C ATOM 31 CG ASP A 3 -13.848 -7.980 3.934 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.464 -8.204 5.104 1.00 0.00 O ATOM 33 OD2 ASP A 3 -14.660 -7.070 3.660 1.00 0.00 O ATOM 0 HA ASP A 3 -11.396 -9.371 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.849 -8.640 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.441 -9.892 3.048 1.00 0.00 H new ATOM 38 N PRO A 4 -10.601 -7.172 0.965 1.00 0.00 N ATOM 39 CA PRO A 4 -10.311 -6.036 0.067 1.00 0.00 C ATOM 40 C PRO A 4 -11.507 -5.296 -0.561 1.00 0.00 C ATOM 41 O PRO A 4 -11.339 -4.157 -0.967 1.00 0.00 O ATOM 42 CB PRO A 4 -9.556 -6.754 -1.034 1.00 0.00 C ATOM 43 CG PRO A 4 -8.761 -7.784 -0.341 1.00 0.00 C ATOM 44 CD PRO A 4 -9.526 -8.167 0.880 1.00 0.00 C ATOM 0 HA PRO A 4 -9.814 -5.238 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.240 -7.202 -1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.916 -6.067 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.602 -8.649 -0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.776 -7.399 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.926 -9.178 0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.894 -8.146 1.768 1.00 0.00 H new ATOM 52 N LYS A 5 -12.679 -5.933 -0.643 1.00 0.00 N ATOM 53 CA LYS A 5 -13.917 -5.390 -1.300 1.00 0.00 C ATOM 54 C LYS A 5 -14.291 -3.910 -0.993 1.00 0.00 C ATOM 55 O LYS A 5 -15.322 -3.424 -1.456 1.00 0.00 O ATOM 56 CB LYS A 5 -15.082 -6.255 -0.861 1.00 0.00 C ATOM 57 CG LYS A 5 -15.223 -6.253 0.642 1.00 0.00 C ATOM 58 CD LYS A 5 -16.273 -5.260 1.114 1.00 0.00 C ATOM 59 CE LYS A 5 -17.680 -5.680 0.714 1.00 0.00 C ATOM 60 NZ LYS A 5 -18.702 -4.716 1.198 1.00 0.00 N ATOM 0 H LYS A 5 -12.818 -6.864 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.703 -5.412 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.002 -5.890 -1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.935 -7.276 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.491 -7.253 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.263 -6.008 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.219 -5.164 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.056 -4.277 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.741 -5.760 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.893 -6.669 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.647 -5.036 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.661 -4.659 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.514 -3.777 0.792 1.00 0.00 H new ATOM 74 N HIS A 6 -13.465 -3.225 -0.239 1.00 0.00 N ATOM 75 CA HIS A 6 -13.728 -1.882 0.275 1.00 0.00 C ATOM 76 C HIS A 6 -13.781 -0.848 -0.835 1.00 0.00 C ATOM 77 O HIS A 6 -14.417 0.191 -0.680 1.00 0.00 O ATOM 78 CB HIS A 6 -12.603 -1.499 1.220 1.00 0.00 C ATOM 79 CG HIS A 6 -12.322 -2.472 2.313 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.374 -2.249 3.287 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.831 -3.691 2.557 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.319 -3.293 4.086 1.00 0.00 C ATOM 83 NE2 HIS A 6 -12.199 -4.180 3.673 1.00 0.00 N ATOM 0 H HIS A 6 -12.557 -3.591 0.049 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.695 -1.898 0.778 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.693 -1.363 0.636 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.842 -0.535 1.669 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.595 -4.193 1.982 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.663 -3.403 4.937 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.382 -5.083 4.111 1.00 0.00 H new ATOM 92 N VAL A 7 -13.101 -1.164 -1.938 1.00 0.00 N ATOM 93 CA VAL A 7 -12.910 -0.248 -3.085 1.00 0.00 C ATOM 94 C VAL A 7 -12.446 1.127 -2.642 1.00 0.00 C ATOM 95 O VAL A 7 -12.004 1.301 -1.518 1.00 0.00 O ATOM 96 CB VAL A 7 -14.178 -0.150 -3.973 1.00 0.00 C ATOM 97 CG1 VAL A 7 -14.697 -1.540 -4.272 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.270 0.705 -3.349 1.00 0.00 C ATOM 0 H VAL A 7 -12.658 -2.073 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.118 -0.681 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.890 0.345 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.588 -1.469 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -13.930 -2.109 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.947 -2.044 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.132 0.737 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.566 0.275 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.895 1.716 -3.192 1.00 0.00 H new ATOM 108 N CYS A 8 -12.446 2.073 -3.559 1.00 0.00 N ATOM 109 CA CYS A 8 -12.077 3.440 -3.235 1.00 0.00 C ATOM 110 C CYS A 8 -12.942 4.420 -4.006 1.00 0.00 C ATOM 111 O CYS A 8 -13.331 4.159 -5.143 1.00 0.00 O ATOM 112 CB CYS A 8 -10.598 3.678 -3.532 1.00 0.00 C ATOM 113 SG CYS A 8 -10.183 3.737 -5.289 1.00 0.00 S ATOM 0 H CYS A 8 -12.697 1.922 -4.536 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.243 3.601 -2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.295 4.617 -3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.015 2.887 -3.061 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.267 3.908 -5.985 1.00 0.00 H new ATOM 119 N VAL A 9 -13.253 5.544 -3.372 1.00 0.00 N ATOM 120 CA VAL A 9 -14.169 6.516 -3.952 1.00 0.00 C ATOM 121 C VAL A 9 -13.619 7.937 -3.857 1.00 0.00 C ATOM 122 O VAL A 9 -13.524 8.648 -4.855 1.00 0.00 O ATOM 123 CB VAL A 9 -15.543 6.485 -3.240 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.503 7.487 -3.868 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.139 5.086 -3.258 1.00 0.00 C ATOM 0 H VAL A 9 -12.884 5.804 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.285 6.239 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.385 6.770 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.461 7.446 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.087 8.491 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.648 7.242 -4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.104 5.095 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.274 4.761 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.467 4.397 -2.746 1.00 0.00 H new ATOM 135 N ASP A 10 -13.239 8.333 -2.648 1.00 0.00 N ATOM 136 CA ASP A 10 -12.960 9.739 -2.350 1.00 0.00 C ATOM 137 C ASP A 10 -11.505 9.922 -1.940 1.00 0.00 C ATOM 138 O ASP A 10 -11.176 10.741 -1.090 1.00 0.00 O ATOM 139 CB ASP A 10 -13.864 10.193 -1.212 1.00 0.00 C ATOM 140 CG ASP A 10 -14.034 11.702 -1.137 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.193 12.374 -0.512 1.00 0.00 O ATOM 142 OD2 ASP A 10 -15.030 12.217 -1.685 1.00 0.00 O ATOM 0 H ASP A 10 -13.116 7.703 -1.856 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.148 10.334 -3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.844 9.730 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.454 9.834 -0.268 1.00 0.00 H new ATOM 147 N THR A 11 -10.651 9.131 -2.539 1.00 0.00 N ATOM 148 CA THR A 11 -9.224 9.127 -2.246 1.00 0.00 C ATOM 149 C THR A 11 -8.511 10.401 -2.719 1.00 0.00 C ATOM 150 O THR A 11 -7.551 10.354 -3.483 1.00 0.00 O ATOM 151 CB THR A 11 -8.607 7.878 -2.871 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.062 7.740 -4.225 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.020 6.659 -2.061 1.00 0.00 C ATOM 0 H THR A 11 -10.923 8.458 -3.256 1.00 0.00 H new ATOM 0 HA THR A 11 -9.093 9.109 -1.164 1.00 0.00 H new ATOM 0 HB THR A 11 -7.521 7.965 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.813 8.538 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.582 5.764 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.668 6.767 -1.035 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.106 6.571 -2.064 1.00 0.00 H new ATOM 161 N ARG A 12 -9.005 11.538 -2.241 1.00 0.00 N ATOM 162 CA ARG A 12 -8.398 12.833 -2.504 1.00 0.00 C ATOM 163 C ARG A 12 -7.331 13.136 -1.459 1.00 0.00 C ATOM 164 O ARG A 12 -6.368 13.850 -1.726 1.00 0.00 O ATOM 165 CB ARG A 12 -9.470 13.919 -2.501 1.00 0.00 C ATOM 166 CG ARG A 12 -10.480 13.760 -3.606 1.00 0.00 C ATOM 167 CD ARG A 12 -9.849 14.019 -4.947 1.00 0.00 C ATOM 168 NE ARG A 12 -10.800 13.837 -6.032 1.00 0.00 N ATOM 169 CZ ARG A 12 -10.466 13.815 -7.321 1.00 0.00 C ATOM 170 NH1 ARG A 12 -9.198 13.961 -7.685 1.00 0.00 N ATOM 171 NH2 ARG A 12 -11.398 13.645 -8.246 1.00 0.00 N ATOM 0 H ARG A 12 -9.841 11.585 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.924 12.810 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.987 13.908 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.991 14.894 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.896 12.753 -3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.309 14.450 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.456 15.035 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.003 13.346 -5.087 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.784 13.719 -5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.476 14.091 -6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.946 13.944 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.374 13.531 -7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.140 13.628 -9.233 1.00 0.00 H new ATOM 185 N ASP A 13 -7.507 12.558 -0.269 1.00 0.00 N ATOM 186 CA ASP A 13 -6.552 12.702 0.836 1.00 0.00 C ATOM 187 C ASP A 13 -5.310 11.865 0.571 1.00 0.00 C ATOM 188 O ASP A 13 -4.448 11.703 1.437 1.00 0.00 O ATOM 189 CB ASP A 13 -7.183 12.224 2.147 1.00 0.00 C ATOM 190 CG ASP A 13 -8.460 12.963 2.502 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.482 12.763 1.809 1.00 0.00 O ATOM 192 OD2 ASP A 13 -8.451 13.734 3.485 1.00 0.00 O ATOM 0 H ASP A 13 -8.314 11.977 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.282 13.755 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.397 11.158 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.463 12.348 2.956 1.00 0.00 H new ATOM 197 N ILE A 14 -5.254 11.325 -0.630 1.00 0.00 N ATOM 198 CA ILE A 14 -4.239 10.372 -1.021 1.00 0.00 C ATOM 199 C ILE A 14 -3.116 11.086 -1.790 1.00 0.00 C ATOM 200 O ILE A 14 -3.308 11.546 -2.916 1.00 0.00 O ATOM 201 CB ILE A 14 -4.887 9.242 -1.873 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.647 8.218 -0.991 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.836 8.531 -2.719 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.659 8.804 -0.017 1.00 0.00 C ATOM 0 H ILE A 14 -5.922 11.540 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.797 9.918 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.613 9.714 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.165 7.517 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.916 7.643 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.312 7.745 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.362 9.248 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.081 8.090 -2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.130 7.999 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.152 9.481 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.421 9.353 -0.570 1.00 0.00 H new ATOM 216 N PRO A 15 -1.946 11.228 -1.141 1.00 0.00 N ATOM 217 CA PRO A 15 -0.781 11.947 -1.690 1.00 0.00 C ATOM 218 C PRO A 15 -0.155 11.286 -2.918 1.00 0.00 C ATOM 219 O PRO A 15 -0.594 10.227 -3.364 1.00 0.00 O ATOM 220 CB PRO A 15 0.234 11.933 -0.546 1.00 0.00 C ATOM 221 CG PRO A 15 -0.516 11.522 0.674 1.00 0.00 C ATOM 222 CD PRO A 15 -1.691 10.721 0.212 1.00 0.00 C ATOM 0 HA PRO A 15 -1.083 12.938 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.046 11.237 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.683 12.917 -0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.117 10.932 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.842 12.395 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.470 9.654 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.554 10.864 0.863 1.00 0.00 H new ATOM 230 N LYS A 16 0.893 11.918 -3.456 1.00 0.00 N ATOM 231 CA LYS A 16 1.620 11.357 -4.591 1.00 0.00 C ATOM 232 C LYS A 16 2.395 10.127 -4.159 1.00 0.00 C ATOM 233 O LYS A 16 2.741 9.982 -2.979 1.00 0.00 O ATOM 234 CB LYS A 16 2.601 12.367 -5.199 1.00 0.00 C ATOM 235 CG LYS A 16 4.010 12.235 -4.671 1.00 0.00 C ATOM 236 CD LYS A 16 4.982 13.219 -5.316 1.00 0.00 C ATOM 237 CE LYS A 16 4.580 14.676 -5.109 1.00 0.00 C ATOM 238 NZ LYS A 16 3.491 15.101 -6.034 1.00 0.00 N ATOM 0 H LYS A 16 1.253 12.813 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 16 0.880 11.094 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.614 12.241 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.240 13.376 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.004 12.392 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.363 11.218 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.978 13.061 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.043 13.013 -6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.254 14.817 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.450 15.315 -5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.781 15.962 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.304 14.343 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.627 15.294 -5.488 1.00 0.00 H new ATOM 252 N ASN A 17 2.660 9.251 -5.125 1.00 0.00 N ATOM 253 CA ASN A 17 3.402 8.004 -4.901 1.00 0.00 C ATOM 254 C ASN A 17 2.641 7.073 -3.967 1.00 0.00 C ATOM 255 O ASN A 17 3.051 5.938 -3.714 1.00 0.00 O ATOM 256 CB ASN A 17 4.790 8.313 -4.335 1.00 0.00 C ATOM 257 CG ASN A 17 5.635 9.145 -5.285 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.619 8.940 -6.499 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.353 10.118 -4.744 1.00 0.00 N ATOM 0 H ASN A 17 2.366 9.383 -6.093 1.00 0.00 H new ATOM 0 HA ASN A 17 3.515 7.497 -5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.683 8.844 -3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.307 7.378 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.917 10.727 -5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.342 10.259 -3.734 1.00 0.00 H new ATOM 266 N ALA A 18 1.534 7.565 -3.463 1.00 0.00 N ATOM 267 CA ALA A 18 0.730 6.846 -2.516 1.00 0.00 C ATOM 268 C ALA A 18 -0.479 6.257 -3.215 1.00 0.00 C ATOM 269 O ALA A 18 -1.165 6.939 -3.972 1.00 0.00 O ATOM 270 CB ALA A 18 0.313 7.783 -1.389 1.00 0.00 C ATOM 0 H ALA A 18 1.166 8.485 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 18 1.306 6.027 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.298 7.238 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.201 8.171 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.264 8.612 -1.800 1.00 0.00 H new ATOM 276 N GLY A 19 -0.712 4.984 -2.980 1.00 0.00 N ATOM 277 CA GLY A 19 -1.847 4.322 -3.574 1.00 0.00 C ATOM 278 C GLY A 19 -3.131 4.682 -2.858 1.00 0.00 C ATOM 279 O GLY A 19 -3.098 5.111 -1.702 1.00 0.00 O ATOM 0 H GLY A 19 -0.133 4.392 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.924 4.600 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.700 3.243 -3.540 1.00 0.00 H new ATOM 283 N CYS A 20 -4.255 4.524 -3.525 1.00 0.00 N ATOM 284 CA CYS A 20 -5.520 4.919 -2.950 1.00 0.00 C ATOM 285 C CYS A 20 -6.409 3.714 -2.644 1.00 0.00 C ATOM 286 O CYS A 20 -6.432 2.740 -3.395 1.00 0.00 O ATOM 287 CB CYS A 20 -6.222 5.883 -3.897 1.00 0.00 C ATOM 288 SG CYS A 20 -6.420 5.260 -5.582 1.00 0.00 S ATOM 0 H CYS A 20 -4.317 4.126 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.326 5.416 -2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.206 6.120 -3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.658 6.815 -3.931 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.029 6.152 -6.306 1.00 0.00 H new ATOM 294 N PHE A 21 -7.118 3.786 -1.522 1.00 0.00 N ATOM 295 CA PHE A 21 -8.022 2.721 -1.097 1.00 0.00 C ATOM 296 C PHE A 21 -9.020 3.273 -0.072 1.00 0.00 C ATOM 297 O PHE A 21 -8.734 4.250 0.592 1.00 0.00 O ATOM 298 CB PHE A 21 -7.215 1.577 -0.496 1.00 0.00 C ATOM 299 CG PHE A 21 -7.993 0.308 -0.265 1.00 0.00 C ATOM 300 CD1 PHE A 21 -9.211 0.050 -0.884 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.498 -0.611 0.611 1.00 0.00 C ATOM 302 CE1 PHE A 21 -9.910 -1.121 -0.609 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.188 -1.771 0.898 1.00 0.00 C ATOM 304 CZ PHE A 21 -9.393 -2.027 0.293 1.00 0.00 C ATOM 0 H PHE A 21 -7.083 4.581 -0.883 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.576 2.344 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.376 1.357 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.795 1.907 0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.618 0.765 -1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.547 -0.428 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.852 -1.319 -1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.778 -2.480 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.934 -2.933 0.522 1.00 0.00 H new ATOM 314 N ARG A 22 -10.208 2.699 -0.008 1.00 0.00 N ATOM 315 CA ARG A 22 -11.166 2.977 1.049 1.00 0.00 C ATOM 316 C ARG A 22 -11.213 1.783 1.983 1.00 0.00 C ATOM 317 O ARG A 22 -10.962 0.673 1.555 1.00 0.00 O ATOM 318 CB ARG A 22 -12.561 3.207 0.464 1.00 0.00 C ATOM 319 CG ARG A 22 -13.586 3.648 1.482 1.00 0.00 C ATOM 320 CD ARG A 22 -14.228 4.945 1.058 1.00 0.00 C ATOM 321 NE ARG A 22 -15.372 5.290 1.905 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.728 6.534 2.238 1.00 0.00 C ATOM 323 NH1 ARG A 22 -14.995 7.570 1.852 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.816 6.735 2.970 1.00 0.00 N ATOM 0 H ARG A 22 -10.539 2.021 -0.694 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.858 3.875 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.495 3.960 -0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.904 2.285 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.349 2.878 1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.111 3.772 2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.490 5.746 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.554 4.867 0.021 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.939 4.524 2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.153 7.420 1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.274 8.517 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.378 5.941 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.090 7.683 3.226 1.00 0.00 H new ATOM 338 N ASP A 23 -11.453 1.995 3.256 1.00 0.00 N ATOM 339 CA ASP A 23 -11.723 0.875 4.138 1.00 0.00 C ATOM 340 C ASP A 23 -13.226 0.742 4.324 1.00 0.00 C ATOM 341 O ASP A 23 -13.962 1.719 4.195 1.00 0.00 O ATOM 342 CB ASP A 23 -11.041 1.049 5.494 1.00 0.00 C ATOM 343 CG ASP A 23 -11.116 -0.219 6.319 1.00 0.00 C ATOM 344 OD1 ASP A 23 -12.102 -0.397 7.060 1.00 0.00 O ATOM 345 OD2 ASP A 23 -10.207 -1.061 6.193 1.00 0.00 O ATOM 0 H ASP A 23 -11.468 2.913 3.701 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.320 -0.029 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.997 1.326 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.513 1.867 6.038 1.00 0.00 H new ATOM 350 N ASP A 24 -13.666 -0.472 4.637 1.00 0.00 N ATOM 351 CA ASP A 24 -15.086 -0.783 4.788 1.00 0.00 C ATOM 352 C ASP A 24 -15.675 -0.011 5.966 1.00 0.00 C ATOM 353 O ASP A 24 -16.887 0.166 6.075 1.00 0.00 O ATOM 354 CB ASP A 24 -15.261 -2.292 4.977 1.00 0.00 C ATOM 355 CG ASP A 24 -16.711 -2.731 4.997 1.00 0.00 C ATOM 356 OD1 ASP A 24 -17.508 -2.208 4.197 1.00 0.00 O ATOM 357 OD2 ASP A 24 -17.052 -3.627 5.795 1.00 0.00 O ATOM 0 H ASP A 24 -13.050 -1.269 4.794 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.622 -0.479 3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.742 -2.814 4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.785 -2.591 5.911 1.00 0.00 H new ATOM 362 N ASP A 25 -14.787 0.460 6.835 1.00 0.00 N ATOM 363 CA ASP A 25 -15.151 1.319 7.958 1.00 0.00 C ATOM 364 C ASP A 25 -15.674 2.673 7.468 1.00 0.00 C ATOM 365 O ASP A 25 -16.440 3.348 8.161 1.00 0.00 O ATOM 366 CB ASP A 25 -13.920 1.522 8.848 1.00 0.00 C ATOM 367 CG ASP A 25 -14.077 2.657 9.838 1.00 0.00 C ATOM 368 OD1 ASP A 25 -14.641 2.435 10.929 1.00 0.00 O ATOM 369 OD2 ASP A 25 -13.613 3.776 9.538 1.00 0.00 O ATOM 0 H ASP A 25 -13.789 0.256 6.781 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.947 0.840 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.718 0.600 9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.052 1.717 8.217 1.00 0.00 H new ATOM 374 N GLY A 26 -15.266 3.056 6.266 1.00 0.00 N ATOM 375 CA GLY A 26 -15.649 4.343 5.721 1.00 0.00 C ATOM 376 C GLY A 26 -14.469 5.281 5.644 1.00 0.00 C ATOM 377 O GLY A 26 -14.568 6.386 5.112 1.00 0.00 O ATOM 0 H GLY A 26 -14.673 2.494 5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.073 4.207 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.428 4.786 6.342 1.00 0.00 H new ATOM 381 N THR A 27 -13.350 4.836 6.186 1.00 0.00 N ATOM 382 CA THR A 27 -12.119 5.600 6.143 1.00 0.00 C ATOM 383 C THR A 27 -11.365 5.337 4.851 1.00 0.00 C ATOM 384 O THR A 27 -11.057 4.197 4.533 1.00 0.00 O ATOM 385 CB THR A 27 -11.216 5.240 7.336 1.00 0.00 C ATOM 386 OG1 THR A 27 -11.892 5.522 8.570 1.00 0.00 O ATOM 387 CG2 THR A 27 -9.899 6.003 7.284 1.00 0.00 C ATOM 0 H THR A 27 -13.270 3.939 6.666 1.00 0.00 H new ATOM 0 HA THR A 27 -12.383 6.656 6.195 1.00 0.00 H new ATOM 0 HB THR A 27 -10.995 4.174 7.278 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.626 4.884 8.694 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.284 5.726 8.140 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.371 5.755 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.098 7.074 7.311 1.00 0.00 H new ATOM 395 N LYS A 28 -11.080 6.386 4.097 1.00 0.00 N ATOM 396 CA LYS A 28 -10.247 6.235 2.918 1.00 0.00 C ATOM 397 C LYS A 28 -8.809 6.336 3.345 1.00 0.00 C ATOM 398 O LYS A 28 -8.455 7.159 4.188 1.00 0.00 O ATOM 399 CB LYS A 28 -10.514 7.279 1.829 1.00 0.00 C ATOM 400 CG LYS A 28 -11.693 8.186 2.091 1.00 0.00 C ATOM 401 CD LYS A 28 -11.448 9.579 1.555 1.00 0.00 C ATOM 402 CE LYS A 28 -12.300 10.614 2.274 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.013 11.991 1.800 1.00 0.00 N ATOM 0 H LYS A 28 -11.407 7.335 4.276 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.484 5.266 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.622 7.893 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.675 6.762 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.586 7.768 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.885 8.236 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.394 9.833 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.669 9.603 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.355 10.388 2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.117 10.553 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.589 12.670 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.005 12.204 1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.244 12.065 0.789 1.00 0.00 H new ATOM 417 N GLU A 29 -7.993 5.519 2.747 1.00 0.00 N ATOM 418 CA GLU A 29 -6.620 5.408 3.130 1.00 0.00 C ATOM 419 C GLU A 29 -5.700 5.677 1.983 1.00 0.00 C ATOM 420 O GLU A 29 -6.091 5.707 0.814 1.00 0.00 O ATOM 421 CB GLU A 29 -6.295 4.017 3.634 1.00 0.00 C ATOM 422 CG GLU A 29 -6.975 3.658 4.931 1.00 0.00 C ATOM 423 CD GLU A 29 -6.194 4.134 6.140 1.00 0.00 C ATOM 424 OE1 GLU A 29 -5.958 5.350 6.262 1.00 0.00 O ATOM 425 OE2 GLU A 29 -5.779 3.282 6.956 1.00 0.00 O ATOM 0 H GLU A 29 -8.264 4.909 1.976 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.474 6.148 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.581 3.291 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.216 3.933 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.973 4.097 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.102 2.577 4.985 1.00 0.00 H new ATOM 432 N TRP A 30 -4.466 5.825 2.358 1.00 0.00 N ATOM 433 CA TRP A 30 -3.374 5.906 1.436 1.00 0.00 C ATOM 434 C TRP A 30 -2.180 5.281 2.092 1.00 0.00 C ATOM 435 O TRP A 30 -2.021 5.335 3.315 1.00 0.00 O ATOM 436 CB TRP A 30 -3.048 7.342 1.052 1.00 0.00 C ATOM 437 CG TRP A 30 -2.745 8.196 2.228 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.652 8.743 3.077 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.450 8.579 2.706 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.009 9.494 4.026 1.00 0.00 N ATOM 441 CE2 TRP A 30 -1.658 9.402 3.824 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.133 8.326 2.290 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -0.609 9.965 4.533 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.902 8.883 3.005 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.658 9.696 4.111 1.00 0.00 C ATOM 0 H TRP A 30 -4.184 5.894 3.336 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.648 5.386 0.518 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.194 7.347 0.375 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.890 7.768 0.506 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.721 8.607 3.014 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.463 10.034 4.763 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.063 7.707 1.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.790 10.596 5.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.921 8.687 2.704 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.493 10.123 4.646 1.00 0.00 H new ATOM 456 N ARG A 31 -1.378 4.666 1.290 1.00 0.00 N ATOM 457 CA ARG A 31 -0.158 4.062 1.738 1.00 0.00 C ATOM 458 C ARG A 31 0.895 4.394 0.747 1.00 0.00 C ATOM 459 O ARG A 31 0.605 4.855 -0.352 1.00 0.00 O ATOM 460 CB ARG A 31 -0.294 2.555 1.893 1.00 0.00 C ATOM 461 CG ARG A 31 -1.355 2.182 2.892 1.00 0.00 C ATOM 462 CD ARG A 31 -1.682 0.713 2.846 1.00 0.00 C ATOM 463 NE ARG A 31 -2.771 0.378 3.755 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.588 -0.641 3.562 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.403 -1.440 2.526 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.589 -0.862 4.406 1.00 0.00 N ATOM 0 H ARG A 31 -1.549 4.564 0.290 1.00 0.00 H new ATOM 0 HA ARG A 31 0.101 4.449 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.535 2.112 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.662 2.136 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.018 2.447 3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.258 2.761 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.956 0.432 1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.797 0.134 3.109 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.909 0.960 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.632 -1.268 1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.031 -2.229 2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.728 -0.244 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.219 -1.650 4.255 1.00 0.00 H new ATOM 480 N CYS A 32 2.096 4.118 1.106 1.00 0.00 N ATOM 481 CA CYS A 32 3.206 4.523 0.310 1.00 0.00 C ATOM 482 C CYS A 32 3.737 3.281 -0.325 1.00 0.00 C ATOM 483 O CYS A 32 3.950 2.280 0.350 1.00 0.00 O ATOM 484 CB CYS A 32 4.252 5.192 1.195 1.00 0.00 C ATOM 485 SG CYS A 32 3.692 5.498 2.887 1.00 0.00 S ATOM 0 H CYS A 32 2.341 3.608 1.955 1.00 0.00 H new ATOM 0 HA CYS A 32 2.925 5.248 -0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.143 4.565 1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.544 6.140 0.742 1.00 0.00 H new ATOM 0 HG CYS A 32 2.959 6.571 2.914 1.00 0.00 H new ATOM 491 N LEU A 33 3.827 3.364 -1.651 1.00 0.00 N ATOM 492 CA LEU A 33 4.080 2.232 -2.539 1.00 0.00 C ATOM 493 C LEU A 33 5.151 1.281 -2.032 1.00 0.00 C ATOM 494 O LEU A 33 5.852 1.569 -1.082 1.00 0.00 O ATOM 495 CB LEU A 33 4.441 2.771 -3.912 1.00 0.00 C ATOM 496 CG LEU A 33 3.312 2.701 -4.942 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.955 2.913 -4.280 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.533 3.752 -6.007 1.00 0.00 C ATOM 0 H LEU A 33 3.723 4.247 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 33 3.169 1.635 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.757 3.809 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.297 2.214 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 33 3.319 1.710 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.170 2.858 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.792 2.140 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.932 3.893 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.728 3.702 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.543 4.740 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.487 3.573 -6.502 1.00 0.00 H new ATOM 510 N LEU A 34 5.275 0.148 -2.690 1.00 0.00 N ATOM 511 CA LEU A 34 6.167 -0.899 -2.225 1.00 0.00 C ATOM 512 C LEU A 34 7.584 -0.386 -2.050 1.00 0.00 C ATOM 513 O LEU A 34 8.246 0.004 -3.009 1.00 0.00 O ATOM 514 CB LEU A 34 6.137 -2.078 -3.186 1.00 0.00 C ATOM 515 CG LEU A 34 4.780 -2.750 -3.322 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.881 -3.933 -4.253 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.258 -3.183 -1.964 1.00 0.00 C ATOM 0 H LEU A 34 4.771 -0.074 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 34 5.817 -1.231 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.459 -1.736 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.863 -2.820 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 34 4.076 -2.032 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.904 -4.408 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.214 -3.596 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.598 -4.650 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.286 -3.662 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.957 -3.888 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.156 -2.311 -1.318 1.00 0.00 H new ATOM 529 N GLY A 35 8.028 -0.372 -0.805 1.00 0.00 N ATOM 530 CA GLY A 35 9.345 0.131 -0.494 1.00 0.00 C ATOM 531 C GLY A 35 9.396 1.646 -0.404 1.00 0.00 C ATOM 532 O GLY A 35 10.464 2.241 -0.517 1.00 0.00 O ATOM 0 H GLY A 35 7.495 -0.702 -0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.676 -0.295 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.046 -0.206 -1.258 1.00 0.00 H new ATOM 536 N TYR A 36 8.241 2.273 -0.235 1.00 0.00 N ATOM 537 CA TYR A 36 8.160 3.715 -0.072 1.00 0.00 C ATOM 538 C TYR A 36 7.844 4.112 1.375 1.00 0.00 C ATOM 539 O TYR A 36 7.733 3.259 2.260 1.00 0.00 O ATOM 540 CB TYR A 36 7.098 4.308 -0.998 1.00 0.00 C ATOM 541 CG TYR A 36 7.402 4.214 -2.486 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.838 3.047 -3.092 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.243 5.328 -3.280 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.098 3.005 -4.449 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.494 5.305 -4.618 1.00 0.00 C ATOM 546 CZ TYR A 36 7.924 4.141 -5.211 1.00 0.00 C ATOM 547 OH TYR A 36 8.170 4.110 -6.565 1.00 0.00 O ATOM 0 H TYR A 36 7.339 1.798 -0.207 1.00 0.00 H new ATOM 0 HA TYR A 36 9.139 4.115 -0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.151 3.804 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.959 5.358 -0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.977 2.157 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.908 6.249 -2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.435 2.088 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.356 6.197 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 36 7.997 4.995 -6.949 1.00 0.00 H new ATOM 557 N LYS A 37 7.704 5.424 1.598 1.00 0.00 N ATOM 558 CA LYS A 37 7.402 5.974 2.923 1.00 0.00 C ATOM 559 C LYS A 37 6.952 7.426 2.815 1.00 0.00 C ATOM 560 O LYS A 37 7.104 8.047 1.771 1.00 0.00 O ATOM 561 CB LYS A 37 8.634 5.919 3.821 1.00 0.00 C ATOM 562 CG LYS A 37 9.842 6.627 3.261 1.00 0.00 C ATOM 563 CD LYS A 37 10.810 6.961 4.372 1.00 0.00 C ATOM 564 CE LYS A 37 10.347 8.180 5.155 1.00 0.00 C ATOM 565 NZ LYS A 37 11.188 8.443 6.349 1.00 0.00 N ATOM 0 H LYS A 37 7.796 6.131 0.868 1.00 0.00 H new ATOM 0 HA LYS A 37 6.602 5.371 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.385 6.359 4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.891 4.875 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.332 5.996 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.534 7.539 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.905 6.108 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.799 7.148 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.364 9.054 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.313 8.035 5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.831 9.283 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.153 7.622 6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.171 8.609 6.052 1.00 0.00 H new ATOM 579 N LYS A 38 6.398 7.956 3.898 1.00 0.00 N ATOM 580 CA LYS A 38 6.077 9.371 3.980 1.00 0.00 C ATOM 581 C LYS A 38 7.343 10.218 4.033 1.00 0.00 C ATOM 582 O LYS A 38 8.083 10.172 5.013 1.00 0.00 O ATOM 583 CB LYS A 38 5.224 9.649 5.214 1.00 0.00 C ATOM 584 CG LYS A 38 3.807 9.124 5.111 1.00 0.00 C ATOM 585 CD LYS A 38 3.651 7.707 5.628 1.00 0.00 C ATOM 586 CE LYS A 38 2.350 7.549 6.401 1.00 0.00 C ATOM 587 NZ LYS A 38 2.191 6.184 6.970 1.00 0.00 N ATOM 0 H LYS A 38 6.162 7.422 4.734 1.00 0.00 H new ATOM 0 HA LYS A 38 5.517 9.639 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.704 9.202 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.191 10.725 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.142 9.782 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.489 9.160 4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.669 7.007 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.494 7.456 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.318 8.282 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.510 7.765 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.290 6.126 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.194 5.485 6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.977 5.986 7.621 1.00 0.00 H new ATOM 601 N GLY A 39 7.576 11.001 2.988 1.00 0.00 N ATOM 602 CA GLY A 39 8.782 11.807 2.925 1.00 0.00 C ATOM 603 C GLY A 39 8.499 13.295 2.847 1.00 0.00 C ATOM 604 O GLY A 39 9.239 14.101 3.411 1.00 0.00 O ATOM 0 H GLY A 39 6.954 11.093 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.393 11.605 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.367 11.508 2.055 1.00 0.00 H new ATOM 608 N GLU A 40 7.418 13.659 2.170 1.00 0.00 N ATOM 609 CA GLU A 40 7.083 15.064 1.942 1.00 0.00 C ATOM 610 C GLU A 40 6.175 15.578 3.055 1.00 0.00 C ATOM 611 O GLU A 40 5.694 16.711 3.007 1.00 0.00 O ATOM 612 CB GLU A 40 6.349 15.225 0.600 1.00 0.00 C ATOM 613 CG GLU A 40 6.803 14.259 -0.484 1.00 0.00 C ATOM 614 CD GLU A 40 8.199 14.564 -0.987 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.179 14.185 -0.314 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.323 15.201 -2.053 1.00 0.00 O ATOM 0 H GLU A 40 6.753 12.999 1.766 1.00 0.00 H new ATOM 0 HA GLU A 40 8.011 15.635 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.280 15.090 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.490 16.245 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.775 13.242 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.103 14.300 -1.318 1.00 0.00 H new ATOM 623 N GLY A 41 5.943 14.736 4.054 1.00 0.00 N ATOM 624 CA GLY A 41 4.917 15.013 5.037 1.00 0.00 C ATOM 625 C GLY A 41 3.568 14.546 4.532 1.00 0.00 C ATOM 626 O GLY A 41 3.049 15.105 3.568 1.00 0.00 O ATOM 0 H GLY A 41 6.450 13.863 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.156 14.511 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.884 16.082 5.248 1.00 0.00 H new ATOM 630 N ASN A 42 3.023 13.504 5.172 1.00 0.00 N ATOM 631 CA ASN A 42 1.810 12.811 4.703 1.00 0.00 C ATOM 632 C ASN A 42 1.828 12.643 3.183 1.00 0.00 C ATOM 633 O ASN A 42 1.074 13.277 2.453 1.00 0.00 O ATOM 634 CB ASN A 42 0.503 13.481 5.193 1.00 0.00 C ATOM 635 CG ASN A 42 0.302 14.925 4.760 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.788 15.858 5.401 1.00 0.00 O ATOM 637 ND2 ASN A 42 -0.463 15.120 3.698 1.00 0.00 N ATOM 0 H ASN A 42 3.409 13.115 6.032 1.00 0.00 H new ATOM 0 HA ASN A 42 1.822 11.818 5.153 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.342 12.892 4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.481 13.441 6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.668 16.069 3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.847 14.322 3.193 1.00 0.00 H new ATOM 644 N THR A 43 2.696 11.750 2.729 1.00 0.00 N ATOM 645 CA THR A 43 2.983 11.566 1.317 1.00 0.00 C ATOM 646 C THR A 43 3.707 10.249 1.121 1.00 0.00 C ATOM 647 O THR A 43 3.801 9.447 2.047 1.00 0.00 O ATOM 648 CB THR A 43 3.878 12.695 0.797 1.00 0.00 C ATOM 649 OG1 THR A 43 4.674 13.172 1.879 1.00 0.00 O ATOM 650 CG2 THR A 43 3.069 13.835 0.192 1.00 0.00 C ATOM 0 H THR A 43 3.226 11.127 3.339 1.00 0.00 H new ATOM 0 HA THR A 43 2.041 11.572 0.769 1.00 0.00 H new ATOM 0 HB THR A 43 4.510 12.302 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.025 12.411 2.387 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.745 14.613 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.478 13.459 -0.643 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.404 14.251 0.949 1.00 0.00 H new ATOM 658 N CYS A 44 4.212 10.018 -0.070 1.00 0.00 N ATOM 659 CA CYS A 44 5.000 8.833 -0.323 1.00 0.00 C ATOM 660 C CYS A 44 6.199 9.150 -1.209 1.00 0.00 C ATOM 661 O CYS A 44 6.119 9.998 -2.096 1.00 0.00 O ATOM 662 CB CYS A 44 4.125 7.748 -0.939 1.00 0.00 C ATOM 663 SG CYS A 44 5.022 6.437 -1.750 1.00 0.00 S ATOM 0 H CYS A 44 4.092 10.632 -0.876 1.00 0.00 H new ATOM 0 HA CYS A 44 5.389 8.463 0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.503 7.314 -0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.452 8.210 -1.661 1.00 0.00 H new ATOM 0 HG CYS A 44 4.342 6.015 -2.774 1.00 0.00 H new ATOM 669 N VAL A 45 7.312 8.485 -0.917 1.00 0.00 N ATOM 670 CA VAL A 45 8.560 8.626 -1.649 1.00 0.00 C ATOM 671 C VAL A 45 9.340 7.324 -1.570 1.00 0.00 C ATOM 672 O VAL A 45 9.051 6.479 -0.726 1.00 0.00 O ATOM 673 CB VAL A 45 9.455 9.730 -1.064 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.861 11.109 -1.289 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.711 9.485 0.418 1.00 0.00 C ATOM 0 H VAL A 45 7.370 7.819 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 45 8.300 8.884 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 45 10.409 9.695 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.521 11.864 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.750 11.287 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.885 11.167 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.347 10.277 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.762 9.479 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.207 8.523 0.547 1.00 0.00 H new ATOM 685 N GLU A 46 10.345 7.187 -2.420 1.00 0.00 N ATOM 686 CA GLU A 46 11.142 5.969 -2.495 1.00 0.00 C ATOM 687 C GLU A 46 12.024 5.787 -1.262 1.00 0.00 C ATOM 688 O GLU A 46 13.129 6.324 -1.184 1.00 0.00 O ATOM 689 CB GLU A 46 12.017 6.007 -3.742 1.00 0.00 C ATOM 690 CG GLU A 46 11.749 4.878 -4.718 1.00 0.00 C ATOM 691 CD GLU A 46 12.606 4.977 -5.968 1.00 0.00 C ATOM 692 OE1 GLU A 46 13.336 5.981 -6.125 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.559 4.049 -6.799 1.00 0.00 O ATOM 0 H GLU A 46 10.632 7.913 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 46 10.453 5.125 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.864 6.958 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.064 5.972 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.938 3.924 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.696 4.888 -5.001 1.00 0.00 H new ATOM 700 N ASN A 47 11.522 5.024 -0.308 1.00 0.00 N ATOM 701 CA ASN A 47 12.296 4.630 0.862 1.00 0.00 C ATOM 702 C ASN A 47 13.469 3.768 0.415 1.00 0.00 C ATOM 703 O ASN A 47 13.288 2.649 -0.062 1.00 0.00 O ATOM 704 CB ASN A 47 11.408 3.843 1.839 1.00 0.00 C ATOM 705 CG ASN A 47 12.046 3.587 3.185 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.259 3.708 3.358 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.228 3.170 4.135 1.00 0.00 N ATOM 0 H ASN A 47 10.569 4.659 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 47 12.669 5.520 1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.477 4.390 1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.146 2.887 1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.595 2.933 5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.229 3.085 3.947 1.00 0.00 H new ATOM 714 N ASN A 48 14.676 4.293 0.547 1.00 0.00 N ATOM 715 CA ASN A 48 15.860 3.598 0.089 1.00 0.00 C ATOM 716 C ASN A 48 16.272 2.471 1.035 1.00 0.00 C ATOM 717 O ASN A 48 17.338 1.879 0.876 1.00 0.00 O ATOM 718 CB ASN A 48 17.007 4.582 -0.080 1.00 0.00 C ATOM 719 CG ASN A 48 16.974 5.354 -1.393 1.00 0.00 C ATOM 720 OD1 ASN A 48 15.798 5.792 -1.813 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 18.013 5.581 -2.008 1.00 0.00 N flip ATOM 0 H ASN A 48 14.858 5.203 0.970 1.00 0.00 H new ATOM 0 HA ASN A 48 15.620 3.144 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.988 5.292 0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.950 4.040 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.902 5.228 -1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.986 6.123 -2.872 1.00 0.00 H new ATOM 728 N ASN A 49 15.410 2.151 1.987 1.00 0.00 N ATOM 729 CA ASN A 49 15.672 1.100 2.954 1.00 0.00 C ATOM 730 C ASN A 49 14.362 0.703 3.618 1.00 0.00 C ATOM 731 O ASN A 49 14.123 1.007 4.788 1.00 0.00 O ATOM 732 CB ASN A 49 16.674 1.580 4.001 1.00 0.00 C ATOM 733 CG ASN A 49 17.252 0.442 4.826 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.251 -0.169 4.443 1.00 0.00 O ATOM 735 ND2 ASN A 49 16.635 0.152 5.962 1.00 0.00 N ATOM 0 H ASN A 49 14.509 2.613 2.110 1.00 0.00 H new ATOM 0 HA ASN A 49 16.100 0.236 2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.486 2.112 3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.186 2.293 4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.985 -0.601 6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.810 0.682 6.244 1.00 0.00 H new ATOM 742 N PRO A 50 13.476 0.045 2.860 1.00 0.00 N ATOM 743 CA PRO A 50 12.150 -0.297 3.333 1.00 0.00 C ATOM 744 C PRO A 50 12.146 -1.548 4.200 1.00 0.00 C ATOM 745 O PRO A 50 12.792 -2.545 3.880 1.00 0.00 O ATOM 746 CB PRO A 50 11.348 -0.505 2.048 1.00 0.00 C ATOM 747 CG PRO A 50 12.334 -0.626 0.926 1.00 0.00 C ATOM 748 CD PRO A 50 13.706 -0.429 1.491 1.00 0.00 C ATOM 0 HA PRO A 50 11.733 0.479 3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.734 -1.402 2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.671 0.332 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.254 -1.605 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.129 0.118 0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.275 -1.358 1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.274 0.297 0.910 1.00 0.00 H new ATOM 756 N THR A 51 11.431 -1.467 5.311 1.00 0.00 N ATOM 757 CA THR A 51 11.385 -2.535 6.287 1.00 0.00 C ATOM 758 C THR A 51 9.942 -2.978 6.512 1.00 0.00 C ATOM 759 O THR A 51 9.014 -2.189 6.333 1.00 0.00 O ATOM 760 CB THR A 51 12.024 -2.097 7.623 1.00 0.00 C ATOM 761 OG1 THR A 51 12.233 -3.234 8.468 1.00 0.00 O ATOM 762 CG2 THR A 51 11.150 -1.082 8.344 1.00 0.00 C ATOM 0 H THR A 51 10.866 -0.655 5.558 1.00 0.00 H new ATOM 0 HA THR A 51 11.960 -3.376 5.898 1.00 0.00 H new ATOM 0 HB THR A 51 12.983 -1.630 7.397 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.640 -2.945 9.311 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.626 -0.793 9.281 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.021 -0.201 7.715 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.176 -1.524 8.553 1.00 0.00 H new ATOM 770 N CYS A 52 9.751 -4.229 6.899 1.00 0.00 N ATOM 771 CA CYS A 52 8.420 -4.727 7.213 1.00 0.00 C ATOM 772 C CYS A 52 8.061 -4.294 8.640 1.00 0.00 C ATOM 773 O CYS A 52 8.881 -3.656 9.304 1.00 0.00 O ATOM 774 CB CYS A 52 8.380 -6.254 7.068 1.00 0.00 C ATOM 775 SG CYS A 52 6.755 -7.002 7.341 1.00 0.00 S ATOM 0 H CYS A 52 10.497 -4.917 7.003 1.00 0.00 H new ATOM 0 HA CYS A 52 7.688 -4.312 6.520 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.722 -6.519 6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.088 -6.690 7.773 1.00 0.00 H new ATOM 0 HG CYS A 52 6.058 -6.937 6.246 1.00 0.00 H new ATOM 781 N ASP A 53 6.840 -4.617 9.082 1.00 0.00 N ATOM 782 CA ASP A 53 6.260 -4.114 10.345 1.00 0.00 C ATOM 783 C ASP A 53 5.762 -2.694 10.155 1.00 0.00 C ATOM 784 O ASP A 53 4.644 -2.348 10.534 1.00 0.00 O ATOM 785 CB ASP A 53 7.255 -4.109 11.507 1.00 0.00 C ATOM 786 CG ASP A 53 6.591 -4.398 12.839 1.00 0.00 C ATOM 787 OD1 ASP A 53 6.075 -3.455 13.474 1.00 0.00 O ATOM 788 OD2 ASP A 53 6.577 -5.577 13.259 1.00 0.00 O ATOM 0 H ASP A 53 6.216 -5.241 8.572 1.00 0.00 H new ATOM 0 HA ASP A 53 5.447 -4.796 10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.030 -4.853 11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.750 -3.139 11.554 1.00 0.00 H new ATOM 793 N ILE A 54 6.605 -1.892 9.536 1.00 0.00 N ATOM 794 CA ILE A 54 6.384 -0.467 9.404 1.00 0.00 C ATOM 795 C ILE A 54 5.855 -0.158 8.032 1.00 0.00 C ATOM 796 O ILE A 54 6.571 -0.310 7.037 1.00 0.00 O ATOM 797 CB ILE A 54 7.697 0.291 9.648 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.346 -0.247 10.932 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.442 1.791 9.723 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.638 0.429 11.317 1.00 0.00 C ATOM 0 H ILE A 54 7.472 -2.215 9.106 1.00 0.00 H new ATOM 0 HA ILE A 54 5.651 -0.149 10.145 1.00 0.00 H new ATOM 0 HB ILE A 54 8.384 0.130 8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.637 -0.140 11.753 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.533 -1.314 10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.384 2.312 9.896 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.005 2.133 8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.754 2.003 10.542 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.022 -0.016 12.235 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.368 0.300 10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.459 1.492 11.477 1.00 0.00 H new ATOM 812 N ASN A 55 4.578 0.224 7.978 1.00 0.00 N ATOM 813 CA ASN A 55 3.910 0.483 6.711 1.00 0.00 C ATOM 814 C ASN A 55 3.805 -0.823 5.933 1.00 0.00 C ATOM 815 O ASN A 55 3.478 -0.845 4.751 1.00 0.00 O ATOM 816 CB ASN A 55 4.707 1.529 5.935 1.00 0.00 C ATOM 817 CG ASN A 55 3.983 2.075 4.727 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.753 2.146 4.690 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.750 2.473 3.731 1.00 0.00 N ATOM 0 H ASN A 55 3.989 0.360 8.800 1.00 0.00 H new ATOM 0 HA ASN A 55 2.904 0.869 6.875 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.953 2.354 6.603 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.650 1.088 5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.329 2.859 2.886 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.764 2.395 3.806 1.00 0.00 H new ATOM 826 N ASN A 56 4.083 -1.915 6.646 1.00 0.00 N ATOM 827 CA ASN A 56 4.212 -3.239 6.056 1.00 0.00 C ATOM 828 C ASN A 56 5.230 -3.197 4.910 1.00 0.00 C ATOM 829 O ASN A 56 5.123 -3.936 3.944 1.00 0.00 O ATOM 830 CB ASN A 56 2.846 -3.748 5.559 1.00 0.00 C ATOM 831 CG ASN A 56 2.771 -5.259 5.455 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.398 -5.980 6.228 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.002 -5.746 4.490 1.00 0.00 N ATOM 0 H ASN A 56 4.225 -1.901 7.656 1.00 0.00 H new ATOM 0 HA ASN A 56 4.569 -3.933 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.067 -3.398 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.637 -3.313 4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.914 -6.755 4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.499 -5.112 3.870 1.00 0.00 H new ATOM 840 N GLY A 57 6.220 -2.305 5.027 1.00 0.00 N ATOM 841 CA GLY A 57 7.220 -2.131 3.984 1.00 0.00 C ATOM 842 C GLY A 57 6.646 -1.496 2.735 1.00 0.00 C ATOM 843 O GLY A 57 7.248 -1.545 1.664 1.00 0.00 O ATOM 0 H GLY A 57 6.345 -1.696 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.032 -1.511 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.650 -3.100 3.731 1.00 0.00 H new ATOM 847 N GLY A 58 5.487 -0.882 2.884 1.00 0.00 N ATOM 848 CA GLY A 58 4.798 -0.299 1.759 1.00 0.00 C ATOM 849 C GLY A 58 3.778 -1.259 1.197 1.00 0.00 C ATOM 850 O GLY A 58 3.352 -1.132 0.059 1.00 0.00 O ATOM 0 H GLY A 58 5.006 -0.776 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.305 0.623 2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.518 -0.032 0.985 1.00 0.00 H new ATOM 854 N CYS A 59 3.391 -2.220 2.018 1.00 0.00 N ATOM 855 CA CYS A 59 2.474 -3.274 1.616 1.00 0.00 C ATOM 856 C CYS A 59 1.149 -3.168 2.376 1.00 0.00 C ATOM 857 O CYS A 59 0.979 -2.314 3.250 1.00 0.00 O ATOM 858 CB CYS A 59 3.113 -4.645 1.858 1.00 0.00 C ATOM 859 SG CYS A 59 4.551 -4.994 0.820 1.00 0.00 S ATOM 0 H CYS A 59 3.705 -2.292 2.986 1.00 0.00 H new ATOM 0 HA CYS A 59 2.265 -3.159 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.411 -4.714 2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.362 -5.417 1.689 1.00 0.00 H new ATOM 0 HG CYS A 59 4.881 -6.245 0.943 1.00 0.00 H new ATOM 865 N ASP A 60 0.225 -4.055 2.044 1.00 0.00 N ATOM 866 CA ASP A 60 -1.093 -4.098 2.674 1.00 0.00 C ATOM 867 C ASP A 60 -1.085 -5.174 3.742 1.00 0.00 C ATOM 868 O ASP A 60 -0.480 -6.217 3.555 1.00 0.00 O ATOM 869 CB ASP A 60 -2.152 -4.454 1.617 1.00 0.00 C ATOM 870 CG ASP A 60 -3.568 -4.568 2.174 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.854 -5.532 2.900 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.411 -3.698 1.871 1.00 0.00 O ATOM 0 H ASP A 60 0.364 -4.769 1.329 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.325 -3.128 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.140 -3.695 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.879 -5.399 1.148 1.00 0.00 H new ATOM 877 N PRO A 61 -1.729 -4.907 4.896 1.00 0.00 N ATOM 878 CA PRO A 61 -1.800 -5.849 6.012 1.00 0.00 C ATOM 879 C PRO A 61 -2.203 -7.269 5.589 1.00 0.00 C ATOM 880 O PRO A 61 -1.823 -8.241 6.244 1.00 0.00 O ATOM 881 CB PRO A 61 -2.874 -5.240 6.910 1.00 0.00 C ATOM 882 CG PRO A 61 -2.830 -3.788 6.640 1.00 0.00 C ATOM 883 CD PRO A 61 -2.416 -3.639 5.212 1.00 0.00 C ATOM 0 HA PRO A 61 -0.828 -5.974 6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.857 -5.653 6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.674 -5.451 7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.804 -3.331 6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.123 -3.290 7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.277 -3.481 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.754 -2.784 5.077 1.00 0.00 H new ATOM 891 N THR A 62 -2.977 -7.388 4.510 1.00 0.00 N ATOM 892 CA THR A 62 -3.368 -8.695 3.991 1.00 0.00 C ATOM 893 C THR A 62 -2.276 -9.253 3.084 1.00 0.00 C ATOM 894 O THR A 62 -2.086 -10.469 3.000 1.00 0.00 O ATOM 895 CB THR A 62 -4.700 -8.642 3.209 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.580 -7.805 2.053 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.824 -8.123 4.094 1.00 0.00 C ATOM 0 H THR A 62 -3.344 -6.597 3.981 1.00 0.00 H new ATOM 0 HA THR A 62 -3.509 -9.347 4.853 1.00 0.00 H new ATOM 0 HB THR A 62 -4.936 -9.657 2.890 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.618 -6.864 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.752 -8.094 3.524 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.946 -8.784 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.580 -7.119 4.441 1.00 0.00 H new ATOM 905 N ALA A 63 -1.559 -8.353 2.417 1.00 0.00 N ATOM 906 CA ALA A 63 -0.450 -8.724 1.571 1.00 0.00 C ATOM 907 C ALA A 63 0.724 -9.196 2.414 1.00 0.00 C ATOM 908 O ALA A 63 1.328 -8.411 3.146 1.00 0.00 O ATOM 909 CB ALA A 63 -0.047 -7.545 0.695 1.00 0.00 C ATOM 0 H ALA A 63 -1.737 -7.349 2.454 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.756 -9.547 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.790 -7.833 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.891 -7.250 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.248 -6.707 1.326 1.00 0.00 H new ATOM 915 N SER A 64 1.027 -10.487 2.324 1.00 0.00 N ATOM 916 CA SER A 64 2.146 -11.066 3.053 1.00 0.00 C ATOM 917 C SER A 64 3.446 -10.369 2.666 1.00 0.00 C ATOM 918 O SER A 64 4.029 -10.642 1.615 1.00 0.00 O ATOM 919 CB SER A 64 2.236 -12.569 2.766 1.00 0.00 C ATOM 920 OG SER A 64 3.252 -13.186 3.542 1.00 0.00 O ATOM 0 H SER A 64 0.510 -11.153 1.750 1.00 0.00 H new ATOM 0 HA SER A 64 1.984 -10.923 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.276 -13.040 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.439 -12.727 1.707 1.00 0.00 H new ATOM 0 HG SER A 64 3.283 -14.144 3.338 1.00 0.00 H new ATOM 926 N CYS A 65 3.868 -9.452 3.517 1.00 0.00 N ATOM 927 CA CYS A 65 5.076 -8.685 3.298 1.00 0.00 C ATOM 928 C CYS A 65 6.321 -9.393 3.812 1.00 0.00 C ATOM 929 O CYS A 65 6.260 -10.220 4.722 1.00 0.00 O ATOM 930 CB CYS A 65 4.944 -7.313 3.961 1.00 0.00 C ATOM 931 SG CYS A 65 6.494 -6.413 4.147 1.00 0.00 S ATOM 0 H CYS A 65 3.380 -9.219 4.382 1.00 0.00 H new ATOM 0 HA CYS A 65 5.196 -8.570 2.221 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.255 -6.706 3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.495 -7.442 4.946 1.00 0.00 H new ATOM 0 HG CYS A 65 6.294 -5.150 3.912 1.00 0.00 H new ATOM 937 N GLN A 66 7.446 -9.056 3.200 1.00 0.00 N ATOM 938 CA GLN A 66 8.745 -9.502 3.652 1.00 0.00 C ATOM 939 C GLN A 66 9.724 -8.339 3.578 1.00 0.00 C ATOM 940 O GLN A 66 9.671 -7.536 2.644 1.00 0.00 O ATOM 941 CB GLN A 66 9.237 -10.682 2.805 1.00 0.00 C ATOM 942 CG GLN A 66 10.588 -10.456 2.146 1.00 0.00 C ATOM 943 CD GLN A 66 11.451 -11.703 2.083 1.00 0.00 C ATOM 944 OE1 GLN A 66 11.406 -12.525 3.122 1.00 0.00 O flip ATOM 945 NE2 GLN A 66 12.194 -11.900 1.123 1.00 0.00 N flip ATOM 0 H GLN A 66 7.478 -8.462 2.372 1.00 0.00 H new ATOM 0 HA GLN A 66 8.671 -9.844 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.297 -11.568 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.499 -10.892 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.431 -10.082 1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.124 -9.681 2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.201 -11.245 0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.803 -12.718 1.109 1.00 0.00 H new ATOM 954 N ASN A 67 10.601 -8.248 4.563 1.00 0.00 N ATOM 955 CA ASN A 67 11.615 -7.207 4.587 1.00 0.00 C ATOM 956 C ASN A 67 12.843 -7.696 3.844 1.00 0.00 C ATOM 957 O ASN A 67 13.400 -8.745 4.172 1.00 0.00 O ATOM 958 CB ASN A 67 11.983 -6.830 6.026 1.00 0.00 C ATOM 959 CG ASN A 67 13.153 -5.864 6.096 1.00 0.00 C ATOM 960 OD1 ASN A 67 13.323 -5.013 5.228 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.971 -5.992 7.129 1.00 0.00 N ATOM 0 H ASN A 67 10.631 -8.885 5.359 1.00 0.00 H new ATOM 0 HA ASN A 67 11.219 -6.316 4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.117 -6.382 6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.229 -7.734 6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.775 -5.371 7.223 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.797 -6.711 7.831 1.00 0.00 H new ATOM 968 N ALA A 68 13.252 -6.949 2.835 1.00 0.00 N ATOM 969 CA ALA A 68 14.341 -7.374 1.980 1.00 0.00 C ATOM 970 C ALA A 68 15.080 -6.181 1.403 1.00 0.00 C ATOM 971 O ALA A 68 14.595 -5.050 1.443 1.00 0.00 O ATOM 972 CB ALA A 68 13.807 -8.262 0.867 1.00 0.00 C ATOM 0 H ALA A 68 12.846 -6.046 2.589 1.00 0.00 H new ATOM 0 HA ALA A 68 15.050 -7.944 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.631 -8.578 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.326 -9.139 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.081 -7.706 0.275 1.00 0.00 H new ATOM 978 N GLU A 69 16.264 -6.448 0.887 1.00 0.00 N ATOM 979 CA GLU A 69 17.084 -5.437 0.247 1.00 0.00 C ATOM 980 C GLU A 69 17.182 -5.737 -1.244 1.00 0.00 C ATOM 981 O GLU A 69 17.194 -6.901 -1.647 1.00 0.00 O ATOM 982 CB GLU A 69 18.485 -5.437 0.867 1.00 0.00 C ATOM 983 CG GLU A 69 19.491 -4.560 0.134 1.00 0.00 C ATOM 984 CD GLU A 69 19.248 -3.084 0.349 1.00 0.00 C ATOM 985 OE1 GLU A 69 18.367 -2.524 -0.327 1.00 0.00 O ATOM 986 OE2 GLU A 69 19.947 -2.476 1.183 1.00 0.00 O ATOM 0 H GLU A 69 16.686 -7.376 0.900 1.00 0.00 H new ATOM 0 HA GLU A 69 16.630 -4.457 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.413 -5.101 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.860 -6.460 0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.497 -4.811 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.447 -4.779 -0.933 1.00 0.00 H new ATOM 993 N SER A 70 17.246 -4.686 -2.042 1.00 0.00 N ATOM 994 CA SER A 70 17.378 -4.789 -3.481 1.00 0.00 C ATOM 995 C SER A 70 17.692 -3.417 -4.056 1.00 0.00 C ATOM 996 O SER A 70 17.368 -2.403 -3.435 1.00 0.00 O ATOM 997 CB SER A 70 16.095 -5.346 -4.108 1.00 0.00 C ATOM 998 OG SER A 70 16.048 -6.759 -4.008 1.00 0.00 O ATOM 0 H SER A 70 17.207 -3.725 -1.702 1.00 0.00 H new ATOM 0 HA SER A 70 18.191 -5.477 -3.713 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.227 -4.914 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.041 -5.051 -5.156 1.00 0.00 H new ATOM 0 HG SER A 70 16.447 -7.040 -3.158 1.00 0.00 H new ATOM 1004 N THR A 71 18.345 -3.376 -5.204 1.00 0.00 N ATOM 1005 CA THR A 71 18.649 -2.111 -5.862 1.00 0.00 C ATOM 1006 C THR A 71 17.388 -1.263 -6.025 1.00 0.00 C ATOM 1007 O THR A 71 17.347 -0.101 -5.613 1.00 0.00 O ATOM 1008 CB THR A 71 19.319 -2.347 -7.228 1.00 0.00 C ATOM 1009 OG1 THR A 71 18.721 -3.477 -7.879 1.00 0.00 O ATOM 1010 CG2 THR A 71 20.811 -2.583 -7.055 1.00 0.00 C ATOM 0 H THR A 71 18.676 -4.202 -5.702 1.00 0.00 H new ATOM 0 HA THR A 71 19.348 -1.566 -5.228 1.00 0.00 H new ATOM 0 HB THR A 71 19.174 -1.459 -7.843 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.340 -3.196 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.269 -2.748 -8.030 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.265 -1.711 -6.584 1.00 0.00 H new ATOM 0 HG23 THR A 71 20.970 -3.459 -6.427 1.00 0.00 H new ATOM 1018 N GLU A 72 16.361 -1.859 -6.607 1.00 0.00 N ATOM 1019 CA GLU A 72 15.057 -1.228 -6.698 1.00 0.00 C ATOM 1020 C GLU A 72 14.386 -1.252 -5.338 1.00 0.00 C ATOM 1021 O GLU A 72 14.174 -2.318 -4.763 1.00 0.00 O ATOM 1022 CB GLU A 72 14.151 -1.960 -7.683 1.00 0.00 C ATOM 1023 CG GLU A 72 14.691 -2.091 -9.095 1.00 0.00 C ATOM 1024 CD GLU A 72 15.887 -3.014 -9.202 1.00 0.00 C ATOM 1025 OE1 GLU A 72 15.755 -4.207 -8.871 1.00 0.00 O ATOM 1026 OE2 GLU A 72 16.974 -2.541 -9.590 1.00 0.00 O ATOM 0 H GLU A 72 16.407 -2.787 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 72 15.209 -0.205 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.953 -2.959 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.194 -1.439 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.898 -2.460 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.971 -1.103 -9.462 1.00 0.00 H new ATOM 1033 N ASN A 73 14.043 -0.081 -4.836 1.00 0.00 N ATOM 1034 CA ASN A 73 13.407 0.045 -3.540 1.00 0.00 C ATOM 1035 C ASN A 73 12.035 -0.604 -3.568 1.00 0.00 C ATOM 1036 O ASN A 73 11.570 -1.142 -2.564 1.00 0.00 O ATOM 1037 CB ASN A 73 13.274 1.517 -3.131 1.00 0.00 C ATOM 1038 CG ASN A 73 14.488 2.367 -3.484 1.00 0.00 C ATOM 1039 OD1 ASN A 73 15.086 2.238 -4.553 1.00 0.00 O ATOM 1040 ND2 ASN A 73 14.873 3.234 -2.573 1.00 0.00 N ATOM 0 H ASN A 73 14.197 0.807 -5.314 1.00 0.00 H new ATOM 0 HA ASN A 73 14.034 -0.461 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.393 1.940 -3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.105 1.571 -2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.688 3.823 -2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.356 3.317 -1.697 1.00 0.00 H new ATOM 1047 N SER A 74 11.407 -0.572 -4.733 1.00 0.00 N ATOM 1048 CA SER A 74 10.082 -1.139 -4.911 1.00 0.00 C ATOM 1049 C SER A 74 10.136 -2.648 -5.130 1.00 0.00 C ATOM 1050 O SER A 74 9.121 -3.337 -5.028 1.00 0.00 O ATOM 1051 CB SER A 74 9.401 -0.451 -6.088 1.00 0.00 C ATOM 1052 OG SER A 74 10.364 -0.020 -7.037 1.00 0.00 O ATOM 0 H SER A 74 11.800 -0.154 -5.577 1.00 0.00 H new ATOM 0 HA SER A 74 9.507 -0.970 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.698 -1.137 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.824 0.403 -5.733 1.00 0.00 H new ATOM 0 HG SER A 74 9.911 0.418 -7.787 1.00 0.00 H new ATOM 1058 N LYS A 75 11.322 -3.162 -5.419 1.00 0.00 N ATOM 1059 CA LYS A 75 11.481 -4.590 -5.641 1.00 0.00 C ATOM 1060 C LYS A 75 12.090 -5.261 -4.414 1.00 0.00 C ATOM 1061 O LYS A 75 12.455 -6.437 -4.458 1.00 0.00 O ATOM 1062 CB LYS A 75 12.346 -4.871 -6.869 1.00 0.00 C ATOM 1063 CG LYS A 75 11.840 -4.211 -8.146 1.00 0.00 C ATOM 1064 CD LYS A 75 12.386 -4.902 -9.379 1.00 0.00 C ATOM 1065 CE LYS A 75 11.986 -4.182 -10.658 1.00 0.00 C ATOM 1066 NZ LYS A 75 10.512 -4.122 -10.839 1.00 0.00 N ATOM 0 H LYS A 75 12.180 -2.618 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 75 10.489 -5.005 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.361 -4.527 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.399 -5.948 -7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.750 -4.238 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.133 -3.161 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.473 -4.952 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.021 -5.929 -9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.389 -3.169 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.434 -4.690 -11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.293 -3.714 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.116 -5.082 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.095 -3.528 -10.094 1.00 0.00 H new ATOM 1080 N LYS A 76 12.204 -4.511 -3.318 1.00 0.00 N ATOM 1081 CA LYS A 76 12.752 -5.062 -2.087 1.00 0.00 C ATOM 1082 C LYS A 76 11.679 -5.791 -1.310 1.00 0.00 C ATOM 1083 O LYS A 76 11.766 -6.994 -1.081 1.00 0.00 O ATOM 1084 CB LYS A 76 13.325 -3.971 -1.193 1.00 0.00 C ATOM 1085 CG LYS A 76 14.413 -3.135 -1.829 1.00 0.00 C ATOM 1086 CD LYS A 76 15.159 -2.363 -0.775 1.00 0.00 C ATOM 1087 CE LYS A 76 15.719 -1.065 -1.311 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.762 -0.505 -0.416 1.00 0.00 N ATOM 0 H LYS A 76 11.926 -3.531 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 76 13.548 -5.749 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.514 -3.312 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.723 -4.433 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.103 -3.778 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.977 -2.447 -2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.491 -2.152 0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.973 -2.975 -0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.142 -1.233 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.912 -0.341 -1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.916 0.497 -0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.452 -0.589 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.650 -1.031 -0.546 1.00 0.00 H new ATOM 1102 N ILE A 77 10.663 -5.049 -0.911 1.00 0.00 N ATOM 1103 CA ILE A 77 9.618 -5.591 -0.074 1.00 0.00 C ATOM 1104 C ILE A 77 8.651 -6.412 -0.904 1.00 0.00 C ATOM 1105 O ILE A 77 8.309 -6.056 -2.031 1.00 0.00 O ATOM 1106 CB ILE A 77 8.842 -4.480 0.658 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.800 -3.555 1.412 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.839 -5.076 1.622 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.601 -4.259 2.485 1.00 0.00 C ATOM 0 H ILE A 77 10.542 -4.066 -1.156 1.00 0.00 H new ATOM 0 HA ILE A 77 10.097 -6.226 0.672 1.00 0.00 H new ATOM 0 HB ILE A 77 8.307 -3.896 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.486 -3.097 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.228 -2.747 1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.301 -4.275 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.131 -5.697 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.361 -5.686 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.258 -3.542 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.923 -4.694 3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.200 -5.049 2.032 1.00 0.00 H new ATOM 1121 N ILE A 78 8.233 -7.515 -0.335 1.00 0.00 N ATOM 1122 CA ILE A 78 7.300 -8.414 -0.990 1.00 0.00 C ATOM 1123 C ILE A 78 5.893 -8.171 -0.460 1.00 0.00 C ATOM 1124 O ILE A 78 5.714 -7.908 0.724 1.00 0.00 O ATOM 1125 CB ILE A 78 7.699 -9.901 -0.786 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.852 -10.282 -1.721 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.518 -10.836 -1.012 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.195 -9.723 -1.314 1.00 0.00 C ATOM 0 H ILE A 78 8.526 -7.820 0.593 1.00 0.00 H new ATOM 0 HA ILE A 78 7.328 -8.209 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 78 8.024 -10.011 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.923 -11.369 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.617 -9.935 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.836 -11.867 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.722 -10.594 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.149 -10.716 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.953 -10.041 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.146 -8.634 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.456 -10.090 -0.321 1.00 0.00 H new ATOM 1140 N CYS A 79 4.911 -8.209 -1.342 1.00 0.00 N ATOM 1141 CA CYS A 79 3.516 -8.165 -0.937 1.00 0.00 C ATOM 1142 C CYS A 79 2.767 -9.321 -1.570 1.00 0.00 C ATOM 1143 O CYS A 79 3.008 -9.667 -2.727 1.00 0.00 O ATOM 1144 CB CYS A 79 2.864 -6.856 -1.365 1.00 0.00 C ATOM 1145 SG CYS A 79 3.141 -6.456 -3.100 1.00 0.00 S ATOM 0 H CYS A 79 5.054 -8.271 -2.350 1.00 0.00 H new ATOM 0 HA CYS A 79 3.474 -8.239 0.150 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.791 -6.915 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.251 -6.046 -0.746 1.00 0.00 H new ATOM 0 HG CYS A 79 2.186 -6.965 -3.820 1.00 0.00 H new ATOM 1151 N THR A 80 1.893 -9.945 -0.810 1.00 0.00 N ATOM 1152 CA THR A 80 1.075 -11.008 -1.341 1.00 0.00 C ATOM 1153 C THR A 80 -0.371 -10.910 -0.866 1.00 0.00 C ATOM 1154 O THR A 80 -0.683 -11.275 0.270 1.00 0.00 O ATOM 1155 CB THR A 80 1.643 -12.380 -0.966 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.868 -12.610 -1.673 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.632 -13.461 -1.287 1.00 0.00 C ATOM 0 H THR A 80 1.733 -9.734 0.175 1.00 0.00 H new ATOM 0 HA THR A 80 1.087 -10.897 -2.425 1.00 0.00 H new ATOM 0 HB THR A 80 1.850 -12.404 0.104 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.227 -13.488 -1.428 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.042 -14.434 -1.018 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.282 -13.284 -0.721 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.408 -13.444 -2.354 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.244 -10.424 -1.729 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.665 -10.500 -1.467 1.00 0.00 C ATOM 1167 C CYS A 81 -3.172 -11.809 -2.047 1.00 0.00 C ATOM 1168 O CYS A 81 -2.951 -12.116 -3.218 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.409 -9.307 -2.063 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.838 -7.703 -1.453 1.00 0.00 S ATOM 0 H CYS A 81 -0.994 -9.976 -2.611 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.847 -10.468 -0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.302 -9.330 -3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.472 -9.409 -1.845 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.825 -6.857 -1.466 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.842 -12.568 -1.214 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.125 -13.963 -1.494 1.00 0.00 C ATOM 1178 C LYS A 82 -5.507 -14.157 -2.107 1.00 0.00 C ATOM 1179 O LYS A 82 -6.197 -13.196 -2.441 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.002 -14.773 -0.209 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.680 -14.563 0.509 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.594 -15.393 1.775 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.527 -16.879 1.465 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.442 -17.699 2.702 1.00 0.00 N ATOM 0 H LYS A 82 -4.209 -12.240 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.397 -14.313 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.818 -14.504 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.117 -15.832 -0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.858 -14.827 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.563 -13.508 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.712 -15.099 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.461 -15.190 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.409 -17.171 0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.660 -17.080 0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.398 -18.707 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.587 -17.438 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.282 -17.527 3.291 1.00 0.00 H new ATOM 1198 N GLU A 83 -5.896 -15.407 -2.275 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.214 -15.742 -2.796 1.00 0.00 C ATOM 1200 C GLU A 83 -8.345 -15.173 -1.925 1.00 0.00 C ATOM 1201 O GLU A 83 -9.297 -14.607 -2.462 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.349 -17.256 -2.936 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.630 -17.708 -3.608 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.647 -19.198 -3.849 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -7.945 -19.662 -4.771 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -9.364 -19.915 -3.123 1.00 0.00 O ATOM 0 H GLU A 83 -5.314 -16.216 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.309 -15.280 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.500 -17.634 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.293 -17.707 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.482 -17.431 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.745 -17.186 -4.558 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.270 -15.284 -0.576 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.288 -14.708 0.319 1.00 0.00 C ATOM 1215 C PRO A 84 -9.344 -13.181 0.261 1.00 0.00 C ATOM 1216 O PRO A 84 -10.089 -12.557 1.015 1.00 0.00 O ATOM 1217 CB PRO A 84 -8.830 -15.149 1.714 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.377 -15.390 1.563 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.230 -15.987 0.200 1.00 0.00 C ATOM 0 HA PRO A 84 -10.287 -15.043 0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.030 -14.380 2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.351 -16.050 2.037 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.811 -14.463 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.006 -16.066 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.235 -15.818 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.392 -17.065 0.210 1.00 0.00 H new ATOM 1227 N THR A 85 -8.561 -12.577 -0.621 1.00 0.00 N ATOM 1228 CA THR A 85 -8.520 -11.131 -0.699 1.00 0.00 C ATOM 1229 C THR A 85 -8.869 -10.649 -2.108 1.00 0.00 C ATOM 1230 O THR A 85 -8.106 -10.848 -3.056 1.00 0.00 O ATOM 1231 CB THR A 85 -7.152 -10.563 -0.248 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.096 -11.070 -1.055 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.874 -10.900 1.208 1.00 0.00 C ATOM 0 H THR A 85 -7.954 -13.061 -1.283 1.00 0.00 H new ATOM 0 HA THR A 85 -9.272 -10.752 -0.008 1.00 0.00 H new ATOM 0 HB THR A 85 -7.200 -9.480 -0.362 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.451 -11.741 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.907 -10.489 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.654 -10.470 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.861 -11.983 1.335 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.069 -10.049 -2.249 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.582 -9.497 -3.510 1.00 0.00 C ATOM 1243 C PRO A 86 -9.551 -8.791 -4.435 1.00 0.00 C ATOM 1244 O PRO A 86 -9.677 -8.903 -5.653 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.664 -8.532 -2.999 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.254 -9.259 -1.854 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.088 -9.918 -1.170 1.00 0.00 C ATOM 0 HA PRO A 86 -10.927 -10.287 -4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.239 -7.576 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.408 -8.319 -3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.774 -8.578 -1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.984 -9.996 -2.188 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.717 -9.315 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.362 -10.890 -0.759 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.537 -8.082 -3.904 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.591 -7.366 -4.790 1.00 0.00 C ATOM 1257 C ASN A 87 -6.247 -7.052 -4.133 1.00 0.00 C ATOM 1258 O ASN A 87 -6.094 -7.168 -2.924 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.206 -6.065 -5.304 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.414 -5.441 -6.435 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -7.198 -4.141 -6.345 1.00 0.00 O flip ATOM 1262 ND2 ASN A 87 -6.956 -6.128 -7.345 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.352 -7.988 -2.905 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.397 -8.050 -5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.223 -6.260 -5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.276 -5.353 -4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.149 -7.129 -7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.383 -5.697 -8.071 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.285 -6.673 -4.978 1.00 0.00 N ATOM 1270 CA ALA A 88 -4.001 -6.116 -4.559 1.00 0.00 C ATOM 1271 C ALA A 88 -3.772 -4.791 -5.282 1.00 0.00 C ATOM 1272 O ALA A 88 -3.517 -4.767 -6.487 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.868 -7.082 -4.870 1.00 0.00 C ATOM 0 H ALA A 88 -5.381 -6.747 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.019 -5.950 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.921 -6.647 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.034 -8.020 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.836 -7.272 -5.943 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.885 -3.694 -4.552 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.669 -2.371 -5.108 1.00 0.00 C ATOM 1281 C TYR A 89 -2.191 -2.084 -5.132 1.00 0.00 C ATOM 1282 O TYR A 89 -1.515 -2.317 -4.130 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.324 -1.312 -4.237 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.571 -0.694 -4.771 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.522 0.376 -5.654 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.793 -1.123 -4.327 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -6.678 0.981 -6.099 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.948 -0.518 -4.748 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.893 0.530 -5.637 1.00 0.00 C ATOM 1290 OH TYR A 89 -9.056 1.123 -6.069 1.00 0.00 O ATOM 0 H TYR A 89 -4.128 -3.696 -3.561 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.097 -2.345 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.551 -1.758 -3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.598 -0.518 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.565 0.740 -5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.847 -1.950 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.630 1.799 -6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.903 -0.865 -4.381 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.280 1.872 -5.479 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.691 -1.577 -6.251 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.297 -1.173 -6.323 1.00 0.00 C ATOM 1302 C TYR A 90 0.589 -2.338 -5.938 1.00 0.00 C ATOM 1303 O TYR A 90 1.417 -2.243 -5.039 1.00 0.00 O ATOM 1304 CB TYR A 90 -0.086 0.060 -5.427 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.846 1.262 -5.946 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -2.149 1.504 -5.536 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -0.278 2.134 -6.868 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.867 2.577 -6.025 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.989 3.217 -7.359 1.00 0.00 C ATOM 1310 CZ TYR A 90 -2.284 3.432 -6.933 1.00 0.00 C ATOM 1311 OH TYR A 90 -3.001 4.501 -7.419 1.00 0.00 O ATOM 0 H TYR A 90 -2.223 -1.438 -7.110 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.025 -0.890 -7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.412 -0.167 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.977 0.295 -5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.611 0.840 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.733 1.964 -7.207 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.882 2.745 -5.697 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.533 3.889 -8.071 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.447 5.007 -8.049 1.00 0.00 H new ATOM 1321 N GLU A 91 0.347 -3.462 -6.621 1.00 0.00 N ATOM 1322 CA GLU A 91 1.123 -4.687 -6.473 1.00 0.00 C ATOM 1323 C GLU A 91 0.800 -5.425 -5.173 1.00 0.00 C ATOM 1324 O GLU A 91 1.034 -6.628 -5.052 1.00 0.00 O ATOM 1325 CB GLU A 91 2.608 -4.360 -6.565 1.00 0.00 C ATOM 1326 CG GLU A 91 2.940 -3.422 -7.717 1.00 0.00 C ATOM 1327 CD GLU A 91 3.063 -4.141 -9.039 1.00 0.00 C ATOM 1328 OE1 GLU A 91 2.032 -4.318 -9.722 1.00 0.00 O ATOM 1329 OE2 GLU A 91 4.192 -4.531 -9.405 1.00 0.00 O ATOM 0 H GLU A 91 -0.408 -3.542 -7.303 1.00 0.00 H new ATOM 0 HA GLU A 91 0.850 -5.362 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.933 -3.906 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.172 -5.285 -6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.165 -2.660 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.875 -2.905 -7.501 1.00 0.00 H new ATOM 1336 N GLY A 92 0.232 -4.710 -4.222 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.074 -5.288 -2.928 1.00 0.00 C ATOM 1338 C GLY A 92 0.135 -4.309 -1.793 1.00 0.00 C ATOM 1339 O GLY A 92 0.200 -4.707 -0.633 1.00 0.00 O ATOM 0 H GLY A 92 -0.027 -3.728 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.109 -5.631 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.553 -6.165 -2.768 1.00 0.00 H new ATOM 1343 N VAL A 93 0.278 -3.027 -2.127 1.00 0.00 N ATOM 1344 CA VAL A 93 0.282 -1.973 -1.118 1.00 0.00 C ATOM 1345 C VAL A 93 -1.083 -1.919 -0.442 1.00 0.00 C ATOM 1346 O VAL A 93 -1.216 -1.491 0.705 1.00 0.00 O ATOM 1347 CB VAL A 93 0.625 -0.592 -1.734 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.822 0.467 -0.665 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.865 -0.687 -2.601 1.00 0.00 C ATOM 0 H VAL A 93 0.392 -2.696 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 93 1.053 -2.205 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.222 -0.294 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.061 1.420 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.093 0.570 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.640 0.173 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.089 0.292 -3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.707 -1.022 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.691 -1.399 -3.407 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.104 -2.358 -1.174 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.461 -2.444 -0.643 1.00 0.00 C ATOM 1361 C PHE A 94 -4.221 -3.553 -1.328 1.00 0.00 C ATOM 1362 O PHE A 94 -3.654 -4.401 -2.008 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.282 -1.160 -0.839 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.503 0.103 -0.885 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.665 0.353 -1.945 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.629 1.048 0.108 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -1.958 1.509 -2.021 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.919 2.217 0.043 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.082 2.448 -1.023 1.00 0.00 C ATOM 0 H PHE A 94 -2.015 -2.662 -2.144 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.339 -2.624 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.847 -1.250 -1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.008 -1.088 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.567 -0.382 -2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.291 0.867 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.302 1.691 -2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.016 2.955 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.520 3.369 -1.077 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.516 -3.508 -1.129 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.440 -4.473 -1.648 1.00 0.00 C ATOM 1381 C CYS A 95 -7.710 -3.737 -2.100 1.00 0.00 C ATOM 1382 O CYS A 95 -7.781 -2.530 -1.948 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.688 -5.525 -0.574 1.00 0.00 C ATOM 1384 SG CYS A 95 -7.049 -4.858 1.066 1.00 0.00 S ATOM 0 H CYS A 95 -5.965 -2.773 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.050 -4.995 -2.522 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.521 -6.155 -0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.811 -6.168 -0.505 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.059 -4.114 1.459 1.00 0.00 H new ATOM 1390 N SER A 96 -8.656 -4.425 -2.738 1.00 0.00 N ATOM 1391 CA SER A 96 -9.870 -3.782 -3.279 1.00 0.00 C ATOM 1392 C SER A 96 -10.885 -4.837 -3.679 1.00 0.00 C ATOM 1393 O SER A 96 -10.582 -6.015 -3.633 1.00 0.00 O ATOM 1394 CB SER A 96 -9.560 -2.943 -4.503 1.00 0.00 C ATOM 1395 OG SER A 96 -10.672 -2.147 -4.882 1.00 0.00 O ATOM 0 H SER A 96 -8.612 -5.432 -2.897 1.00 0.00 H new ATOM 0 HA SER A 96 -10.269 -3.139 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.704 -2.300 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.278 -3.594 -5.330 1.00 0.00 H new ATOM 0 HG SER A 96 -10.440 -1.617 -5.673 1.00 0.00 H new ATOM 1401 N SER A 97 -12.082 -4.423 -4.074 1.00 0.00 N ATOM 1402 CA SER A 97 -13.075 -5.371 -4.554 1.00 0.00 C ATOM 1403 C SER A 97 -12.717 -5.775 -5.984 1.00 0.00 C ATOM 1404 O SER A 97 -13.470 -5.514 -6.921 1.00 0.00 O ATOM 1405 CB SER A 97 -14.484 -4.775 -4.510 1.00 0.00 C ATOM 1406 OG SER A 97 -15.474 -5.787 -4.593 1.00 0.00 O ATOM 0 H SER A 97 -12.385 -3.449 -4.072 1.00 0.00 H new ATOM 0 HA SER A 97 -13.071 -6.246 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.614 -4.211 -3.586 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.610 -4.072 -5.333 1.00 0.00 H new ATOM 0 HG SER A 97 -16.364 -5.378 -4.561 1.00 0.00 H new