USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 782 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 71 SER OG : rot 165:sc= -1.68 USER MOD Set 1.2: A 92 SER OG : rot 89:sc= -2.44! USER MOD Single : A 1 GLN : amide:sc= -0.0335 X(o=-0.034,f=-0.034) USER MOD Single : A 1 GLN N :NH3+ -137:sc= 0.0935 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -133:sc= -2.78! (180deg=-6.21!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0196 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.021 USER MOD Single : A 18 ASN : amide:sc= 0.0263 K(o=0.026,f=-1.1!) USER MOD Single : A 19 GLN : amide:sc=-0.00866 X(o=-0.0087,f=-0.0087) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 173:sc= -1.13 USER MOD Single : A 25 ASN : amide:sc=-0.00106 X(o=-0.0011,f=-0.0011) USER MOD Single : A 27 ASN : amide:sc= 0.0812 X(o=0.081,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 169:sc= -0.914 USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.172) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.533 F(o=-1.3,f=-0.53) USER MOD Single : A 46 ASN : amide:sc= -7.43! C(o=-7.4!,f=-14!) USER MOD Single : A 49 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.67) USER MOD Single : A 51 THR OG1 : rot -160:sc= -2.17 USER MOD Single : A 54 THR OG1 : rot -90:sc= 1.91 USER MOD Single : A 57 HIS : no HD1:sc= -4.55! C(o=-4.5!,f=-4.6!) USER MOD Single : A 60 GLN : amide:sc= -8.31! C(o=-8.3!,f=-12!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot -172:sc= 1.23 USER MOD Single : A 66 HIS : no HE2:sc= -12.5! C(o=-12!,f=-19!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -111:sc= 0.107 USER MOD Single : A 75 GLN : amide:sc= -0.0154 K(o=-0.015,f=-3.2!) USER MOD Single : A 78 MET CE :methyl -172:sc= -19.6! (180deg=-20.2!) USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0218) USER MOD Single : A 81 LYS NZ :NH3+ -111:sc= -3.79! (180deg=-9.52!) USER MOD Single : A 82 LYS NZ :NH3+ 129:sc= 0.775 (180deg=-1.17!) USER MOD Single : A 88 MET CE :methyl -144:sc=-0.00333 (180deg=-0.5) USER MOD Single : A 90 MET CE :methyl 163:sc= -6.11! (180deg=-6.96!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.85 USER MOD Single : A 99 ASN : amide:sc= -18.9! C(o=-19!,f=-25!) USER MOD Single : A 105 SER OG : rot -10:sc= 0.827 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.474 -5.680 -5.171 1.00 0.00 N ATOM 2 CA GLN A 1 2.724 -6.178 -5.707 1.00 0.00 C ATOM 3 C GLN A 1 3.642 -6.603 -4.569 1.00 0.00 C ATOM 4 O GLN A 1 3.185 -6.827 -3.451 1.00 0.00 O ATOM 5 CB GLN A 1 3.381 -5.092 -6.555 1.00 0.00 C ATOM 6 CG GLN A 1 2.825 -5.149 -7.974 1.00 0.00 C ATOM 7 CD GLN A 1 3.550 -6.201 -8.800 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.990 -7.253 -9.100 1.00 0.00 O ATOM 9 NE2 GLN A 1 4.803 -5.915 -9.167 1.00 0.00 N ATOM 0 H1 GLN A 1 0.682 -6.054 -5.732 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.373 -5.987 -4.182 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.468 -4.641 -5.213 1.00 0.00 H new ATOM 0 HA GLN A 1 2.533 -7.047 -6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.193 -4.111 -6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 1 4.462 -5.232 -6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.760 -5.377 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.929 -4.173 -8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 1 5.225 -5.027 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 1 5.338 -6.584 -9.721 1.00 0.00 H new ATOM 20 N LEU A 2 4.941 -6.712 -4.858 1.00 0.00 N ATOM 21 CA LEU A 2 5.915 -7.108 -3.860 1.00 0.00 C ATOM 22 C LEU A 2 6.083 -5.997 -2.833 1.00 0.00 C ATOM 23 O LEU A 2 5.619 -4.880 -3.043 1.00 0.00 O ATOM 24 CB LEU A 2 7.245 -7.418 -4.544 1.00 0.00 C ATOM 25 CG LEU A 2 7.001 -7.704 -6.023 1.00 0.00 C ATOM 26 CD1 LEU A 2 8.338 -7.771 -6.755 1.00 0.00 C ATOM 27 CD2 LEU A 2 6.274 -9.039 -6.168 1.00 0.00 C ATOM 0 H LEU A 2 5.335 -6.529 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 2 5.569 -8.003 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.928 -6.576 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.719 -8.277 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 2 6.392 -6.909 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.165 -7.975 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.858 -6.819 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.948 -8.567 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.099 -9.245 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.884 -9.834 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.319 -8.992 -5.644 1.00 0.00 H new ATOM 39 N PRO A 3 6.749 -6.310 -1.719 1.00 0.00 N ATOM 40 CA PRO A 3 7.006 -5.384 -0.637 1.00 0.00 C ATOM 41 C PRO A 3 8.060 -4.375 -1.068 1.00 0.00 C ATOM 42 O PRO A 3 7.799 -3.529 -1.921 1.00 0.00 O ATOM 43 CB PRO A 3 7.520 -6.255 0.509 1.00 0.00 C ATOM 44 CG PRO A 3 8.208 -7.407 -0.224 1.00 0.00 C ATOM 45 CD PRO A 3 7.308 -7.615 -1.440 1.00 0.00 C ATOM 0 HA PRO A 3 6.122 -4.817 -0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.214 -5.712 1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.708 -6.608 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.227 -7.152 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.267 -8.303 0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.875 -7.992 -2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.525 -8.344 -1.231 1.00 0.00 H new ATOM 53 N ARG A 4 9.253 -4.463 -0.474 1.00 0.00 N ATOM 54 CA ARG A 4 10.336 -3.557 -0.796 1.00 0.00 C ATOM 55 C ARG A 4 11.132 -4.103 -1.973 1.00 0.00 C ATOM 56 O ARG A 4 11.620 -5.230 -1.926 1.00 0.00 O ATOM 57 CB ARG A 4 11.232 -3.380 0.426 1.00 0.00 C ATOM 58 CG ARG A 4 12.444 -2.532 0.051 1.00 0.00 C ATOM 59 CD ARG A 4 12.246 -1.107 0.563 1.00 0.00 C ATOM 60 NE ARG A 4 11.075 -0.486 -0.055 1.00 0.00 N ATOM 61 CZ ARG A 4 10.927 -0.376 -1.382 1.00 0.00 C ATOM 62 NH1 ARG A 4 11.874 -0.847 -2.203 1.00 0.00 N ATOM 63 NH2 ARG A 4 9.830 0.206 -1.888 1.00 0.00 N ATOM 0 H ARG A 4 9.485 -5.159 0.235 1.00 0.00 H new ATOM 0 HA ARG A 4 9.930 -2.585 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.675 -2.901 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.556 -4.353 0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.349 -2.962 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.576 -2.526 -1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.126 -1.119 1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 4 13.134 -0.513 0.347 1.00 0.00 H new ATOM 0 HE ARG A 4 10.339 -0.121 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.708 -1.290 -1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.761 -0.763 -3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.109 0.565 -1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.717 0.290 -2.898 1.00 0.00 H new ATOM 77 N LEU A 5 11.265 -3.299 -3.031 1.00 0.00 N ATOM 78 CA LEU A 5 12.000 -3.704 -4.213 1.00 0.00 C ATOM 79 C LEU A 5 13.277 -2.886 -4.332 1.00 0.00 C ATOM 80 O LEU A 5 13.280 -1.689 -4.054 1.00 0.00 O ATOM 81 CB LEU A 5 11.122 -3.517 -5.446 1.00 0.00 C ATOM 82 CG LEU A 5 10.109 -4.655 -5.527 1.00 0.00 C ATOM 83 CD1 LEU A 5 10.829 -5.990 -5.357 1.00 0.00 C ATOM 84 CD2 LEU A 5 9.071 -4.493 -4.420 1.00 0.00 C ATOM 0 H LEU A 5 10.868 -2.361 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 5 12.272 -4.756 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.605 -2.559 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.738 -3.500 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 5 9.612 -4.630 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.106 -6.803 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.570 -6.107 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.326 -6.015 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.347 -5.306 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.567 -4.517 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.556 -3.540 -4.541 1.00 0.00 H new ATOM 96 N CYS A 6 14.368 -3.537 -4.746 1.00 0.00 N ATOM 97 CA CYS A 6 15.645 -2.869 -4.899 1.00 0.00 C ATOM 98 C CYS A 6 16.430 -3.516 -6.032 1.00 0.00 C ATOM 99 O CYS A 6 16.184 -4.668 -6.382 1.00 0.00 O ATOM 100 CB CYS A 6 16.421 -2.950 -3.588 1.00 0.00 C ATOM 101 SG CYS A 6 15.538 -2.259 -2.168 1.00 0.00 S ATOM 0 H CYS A 6 14.383 -4.530 -4.980 1.00 0.00 H new ATOM 0 HA CYS A 6 15.485 -1.819 -5.146 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.659 -3.994 -3.382 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.368 -2.424 -3.705 1.00 0.00 H new ATOM 106 N LYS A 7 17.378 -2.771 -6.604 1.00 0.00 N ATOM 107 CA LYS A 7 18.193 -3.276 -7.692 1.00 0.00 C ATOM 108 C LYS A 7 19.276 -4.194 -7.146 1.00 0.00 C ATOM 109 O LYS A 7 20.187 -3.743 -6.456 1.00 0.00 O ATOM 110 CB LYS A 7 18.810 -2.103 -8.451 1.00 0.00 C ATOM 111 CG LYS A 7 17.807 -1.575 -9.472 1.00 0.00 C ATOM 112 CD LYS A 7 17.374 -2.710 -10.397 1.00 0.00 C ATOM 113 CE LYS A 7 17.579 -2.290 -11.849 1.00 0.00 C ATOM 114 NZ LYS A 7 17.291 -0.858 -12.030 1.00 0.00 N ATOM 0 H LYS A 7 17.595 -1.814 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 7 17.572 -3.851 -8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.088 -1.311 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.724 -2.421 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.939 -1.157 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.254 -0.769 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.952 -3.609 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.326 -2.956 -10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.606 -2.499 -12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.930 -2.880 -12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.684 -0.729 -12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.803 -0.493 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.182 -0.339 -12.166 1.00 0.00 H new ATOM 128 N PHE A 8 19.174 -5.488 -7.456 1.00 0.00 N ATOM 129 CA PHE A 8 20.144 -6.462 -6.996 1.00 0.00 C ATOM 130 C PHE A 8 20.886 -7.053 -8.186 1.00 0.00 C ATOM 131 O PHE A 8 20.574 -8.155 -8.631 1.00 0.00 O ATOM 132 CB PHE A 8 19.428 -7.555 -6.207 1.00 0.00 C ATOM 133 CG PHE A 8 20.289 -8.188 -5.140 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.225 -9.169 -5.486 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.152 -7.791 -3.803 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.024 -9.755 -4.496 1.00 0.00 C ATOM 137 CE2 PHE A 8 20.951 -8.376 -2.814 1.00 0.00 C ATOM 138 CZ PHE A 8 21.887 -9.358 -3.160 1.00 0.00 C ATOM 0 H PHE A 8 18.424 -5.879 -8.026 1.00 0.00 H new ATOM 0 HA PHE A 8 20.872 -5.978 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.538 -7.132 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.090 -8.328 -6.897 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.331 -9.474 -6.516 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.430 -7.034 -3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.746 -10.513 -4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.846 -8.070 -1.784 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.503 -9.809 -2.397 1.00 0.00 H new ATOM 148 N CYS A 9 21.873 -6.316 -8.700 1.00 0.00 N ATOM 149 CA CYS A 9 22.656 -6.769 -9.833 1.00 0.00 C ATOM 150 C CYS A 9 24.131 -6.806 -9.457 1.00 0.00 C ATOM 151 O CYS A 9 24.577 -6.042 -8.605 1.00 0.00 O ATOM 152 CB CYS A 9 22.423 -5.833 -11.016 1.00 0.00 C ATOM 153 SG CYS A 9 23.672 -4.535 -11.185 1.00 0.00 S ATOM 0 H CYS A 9 22.144 -5.400 -8.342 1.00 0.00 H new ATOM 0 HA CYS A 9 22.348 -7.776 -10.116 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.400 -6.422 -11.933 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.443 -5.368 -10.911 1.00 0.00 H new ATOM 158 N ASP A 10 24.887 -7.703 -10.096 1.00 0.00 N ATOM 159 CA ASP A 10 26.305 -7.836 -9.826 1.00 0.00 C ATOM 160 C ASP A 10 27.047 -6.620 -10.359 1.00 0.00 C ATOM 161 O ASP A 10 26.493 -5.842 -11.132 1.00 0.00 O ATOM 162 CB ASP A 10 26.826 -9.116 -10.473 1.00 0.00 C ATOM 163 CG ASP A 10 25.740 -10.180 -10.528 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.633 -10.933 -9.536 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.035 -10.220 -11.559 1.00 0.00 O ATOM 0 H ASP A 10 24.531 -8.345 -10.804 1.00 0.00 H new ATOM 0 HA ASP A 10 26.472 -7.895 -8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.180 -8.900 -11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.680 -9.491 -9.909 1.00 0.00 H new ATOM 170 N VAL A 11 28.306 -6.457 -9.944 1.00 0.00 N ATOM 171 CA VAL A 11 29.117 -5.338 -10.379 1.00 0.00 C ATOM 172 C VAL A 11 29.649 -5.603 -11.781 1.00 0.00 C ATOM 173 O VAL A 11 30.414 -6.542 -11.989 1.00 0.00 O ATOM 174 CB VAL A 11 30.264 -5.128 -9.396 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.394 -6.354 -8.497 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.564 -4.923 -10.168 1.00 0.00 C ATOM 0 H VAL A 11 28.780 -7.094 -9.304 1.00 0.00 H new ATOM 0 HA VAL A 11 28.511 -4.433 -10.406 1.00 0.00 H new ATOM 0 HB VAL A 11 30.062 -4.249 -8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.214 -6.205 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.465 -6.501 -7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.596 -7.234 -9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.384 -4.773 -9.466 1.00 0.00 H new ATOM 0 HG22 VAL A 11 31.766 -5.802 -10.780 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.471 -4.047 -10.810 1.00 0.00 H new ATOM 186 N LYS A 12 29.242 -4.772 -12.743 1.00 0.00 N ATOM 187 CA LYS A 12 29.680 -4.922 -14.116 1.00 0.00 C ATOM 188 C LYS A 12 30.051 -3.563 -14.692 1.00 0.00 C ATOM 189 O LYS A 12 29.652 -2.529 -14.159 1.00 0.00 O ATOM 190 CB LYS A 12 28.569 -5.572 -14.935 1.00 0.00 C ATOM 191 CG LYS A 12 27.233 -5.381 -14.221 1.00 0.00 C ATOM 192 CD LYS A 12 26.096 -5.467 -15.235 1.00 0.00 C ATOM 193 CE LYS A 12 25.340 -6.778 -15.042 1.00 0.00 C ATOM 194 NZ LYS A 12 23.931 -6.529 -14.700 1.00 0.00 N ATOM 0 H LYS A 12 28.608 -3.989 -12.587 1.00 0.00 H new ATOM 0 HA LYS A 12 30.562 -5.561 -14.152 1.00 0.00 H new ATOM 0 HB2 LYS A 12 28.529 -5.128 -15.930 1.00 0.00 H new ATOM 0 HB3 LYS A 12 28.774 -6.634 -15.068 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.107 -6.144 -13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.213 -4.415 -13.717 1.00 0.00 H new ATOM 0 HD2 LYS A 12 25.418 -4.622 -15.110 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.493 -5.410 -16.248 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.397 -7.372 -15.954 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.812 -7.361 -14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.439 -7.436 -14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 23.880 -5.982 -13.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 23.477 -5.993 -15.467 1.00 0.00 H new ATOM 208 N ALA A 13 30.816 -3.567 -15.786 1.00 0.00 N ATOM 209 CA ALA A 13 31.238 -2.338 -16.429 1.00 0.00 C ATOM 210 C ALA A 13 30.026 -1.463 -16.712 1.00 0.00 C ATOM 211 O ALA A 13 29.101 -1.883 -17.405 1.00 0.00 O ATOM 212 CB ALA A 13 31.979 -2.670 -17.721 1.00 0.00 C ATOM 0 H ALA A 13 31.153 -4.416 -16.240 1.00 0.00 H new ATOM 0 HA ALA A 13 31.911 -1.790 -15.770 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.297 -1.747 -18.206 1.00 0.00 H new ATOM 0 HB2 ALA A 13 32.853 -3.280 -17.493 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.317 -3.221 -18.389 1.00 0.00 H new ATOM 218 N THR A 14 30.030 -0.241 -16.174 1.00 0.00 N ATOM 219 CA THR A 14 28.933 0.684 -16.374 1.00 0.00 C ATOM 220 C THR A 14 29.411 1.893 -17.163 1.00 0.00 C ATOM 221 O THR A 14 30.612 2.116 -17.301 1.00 0.00 O ATOM 222 CB THR A 14 28.375 1.109 -15.019 1.00 0.00 C ATOM 223 OG1 THR A 14 27.185 1.840 -15.209 1.00 0.00 O ATOM 224 CG2 THR A 14 29.399 1.982 -14.299 1.00 0.00 C ATOM 0 H THR A 14 30.787 0.123 -15.596 1.00 0.00 H new ATOM 0 HA THR A 14 28.142 0.196 -16.943 1.00 0.00 H new ATOM 0 HB THR A 14 28.165 0.224 -14.418 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.825 2.112 -14.339 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.001 2.286 -13.331 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.319 1.417 -14.152 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.609 2.867 -14.899 1.00 0.00 H new ATOM 232 N THR A 15 28.464 2.677 -17.685 1.00 0.00 N ATOM 233 CA THR A 15 28.793 3.858 -18.456 1.00 0.00 C ATOM 234 C THR A 15 28.280 5.102 -17.745 1.00 0.00 C ATOM 235 O THR A 15 28.086 6.143 -18.368 1.00 0.00 O ATOM 236 CB THR A 15 28.183 3.742 -19.850 1.00 0.00 C ATOM 237 OG1 THR A 15 26.780 3.654 -19.741 1.00 0.00 O ATOM 238 CG2 THR A 15 28.719 2.489 -20.536 1.00 0.00 C ATOM 0 H THR A 15 27.464 2.507 -17.582 1.00 0.00 H new ATOM 0 HA THR A 15 29.876 3.941 -18.553 1.00 0.00 H new ATOM 0 HB THR A 15 28.448 4.620 -20.438 1.00 0.00 H new ATOM 0 HG1 THR A 15 26.386 3.581 -20.635 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.284 2.405 -21.532 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.804 2.555 -20.618 1.00 0.00 H new ATOM 0 HG23 THR A 15 28.453 1.610 -19.948 1.00 0.00 H new ATOM 246 N CYS A 16 28.058 4.990 -16.434 1.00 0.00 N ATOM 247 CA CYS A 16 27.569 6.101 -15.642 1.00 0.00 C ATOM 248 C CYS A 16 28.743 6.871 -15.054 1.00 0.00 C ATOM 249 O CYS A 16 29.696 6.272 -14.560 1.00 0.00 O ATOM 250 CB CYS A 16 26.659 5.576 -14.536 1.00 0.00 C ATOM 251 SG CYS A 16 25.011 6.323 -14.521 1.00 0.00 S ATOM 0 H CYS A 16 28.213 4.133 -15.903 1.00 0.00 H new ATOM 0 HA CYS A 16 26.995 6.778 -16.275 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.556 4.496 -14.646 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.136 5.754 -13.572 1.00 0.00 H new ATOM 256 N SER A 17 28.674 8.203 -15.109 1.00 0.00 N ATOM 257 CA SER A 17 29.729 9.045 -14.583 1.00 0.00 C ATOM 258 C SER A 17 29.259 9.721 -13.302 1.00 0.00 C ATOM 259 O SER A 17 28.070 9.713 -12.991 1.00 0.00 O ATOM 260 CB SER A 17 30.120 10.084 -15.630 1.00 0.00 C ATOM 261 OG SER A 17 31.001 9.500 -16.562 1.00 0.00 O ATOM 0 H SER A 17 27.891 8.715 -15.516 1.00 0.00 H new ATOM 0 HA SER A 17 30.603 8.437 -14.350 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.231 10.457 -16.138 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.595 10.939 -15.150 1.00 0.00 H new ATOM 0 HG SER A 17 31.252 10.165 -17.236 1.00 0.00 H new ATOM 267 N ASN A 18 30.199 10.309 -12.558 1.00 0.00 N ATOM 268 CA ASN A 18 29.877 10.986 -11.318 1.00 0.00 C ATOM 269 C ASN A 18 29.030 12.218 -11.604 1.00 0.00 C ATOM 270 O ASN A 18 29.467 13.344 -11.378 1.00 0.00 O ATOM 271 CB ASN A 18 31.168 11.374 -10.601 1.00 0.00 C ATOM 272 CG ASN A 18 32.214 11.864 -11.594 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.999 11.073 -12.112 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.220 13.172 -11.857 1.00 0.00 N ATOM 0 H ASN A 18 31.189 10.325 -12.801 1.00 0.00 H new ATOM 0 HA ASN A 18 29.304 10.318 -10.675 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.962 12.155 -9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.556 10.516 -10.052 1.00 0.00 H new ATOM 0 HD21 ASN A 18 32.898 13.557 -12.515 1.00 0.00 H new ATOM 0 HD22 ASN A 18 31.547 13.787 -11.400 1.00 0.00 H new ATOM 281 N GLN A 19 27.811 12.000 -12.104 1.00 0.00 N ATOM 282 CA GLN A 19 26.910 13.090 -12.419 1.00 0.00 C ATOM 283 C GLN A 19 25.853 13.218 -11.330 1.00 0.00 C ATOM 284 O GLN A 19 25.573 12.257 -10.618 1.00 0.00 O ATOM 285 CB GLN A 19 26.259 12.833 -13.776 1.00 0.00 C ATOM 286 CG GLN A 19 27.180 11.963 -14.626 1.00 0.00 C ATOM 287 CD GLN A 19 27.178 12.425 -16.076 1.00 0.00 C ATOM 288 OE1 GLN A 19 26.533 11.813 -16.924 1.00 0.00 O ATOM 289 NE2 GLN A 19 27.903 13.509 -16.360 1.00 0.00 N ATOM 0 H GLN A 19 27.433 11.073 -12.297 1.00 0.00 H new ATOM 0 HA GLN A 19 27.467 14.025 -12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.297 12.339 -13.642 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.064 13.778 -14.283 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.194 12.004 -14.229 1.00 0.00 H new ATOM 0 HG3 GLN A 19 26.858 10.923 -14.571 1.00 0.00 H new ATOM 0 HE21 GLN A 19 28.422 13.983 -15.621 1.00 0.00 H new ATOM 0 HE22 GLN A 19 27.938 13.863 -17.316 1.00 0.00 H new ATOM 298 N ASP A 20 25.266 14.410 -11.204 1.00 0.00 N ATOM 299 CA ASP A 20 24.247 14.658 -10.205 1.00 0.00 C ATOM 300 C ASP A 20 23.265 13.495 -10.170 1.00 0.00 C ATOM 301 O ASP A 20 22.727 13.166 -9.116 1.00 0.00 O ATOM 302 CB ASP A 20 23.527 15.965 -10.528 1.00 0.00 C ATOM 303 CG ASP A 20 23.161 16.033 -12.003 1.00 0.00 C ATOM 304 OD1 ASP A 20 22.050 15.565 -12.336 1.00 0.00 O ATOM 305 OD2 ASP A 20 23.998 16.554 -12.772 1.00 0.00 O ATOM 0 H ASP A 20 25.486 15.216 -11.788 1.00 0.00 H new ATOM 0 HA ASP A 20 24.709 14.746 -9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 20 22.625 16.048 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 20 24.165 16.810 -10.268 1.00 0.00 H new ATOM 310 N GLN A 21 23.034 12.873 -11.328 1.00 0.00 N ATOM 311 CA GLN A 21 22.119 11.753 -11.425 1.00 0.00 C ATOM 312 C GLN A 21 22.680 10.708 -12.381 1.00 0.00 C ATOM 313 O GLN A 21 23.035 11.027 -13.513 1.00 0.00 O ATOM 314 CB GLN A 21 20.758 12.249 -11.903 1.00 0.00 C ATOM 315 CG GLN A 21 19.657 11.404 -11.272 1.00 0.00 C ATOM 316 CD GLN A 21 18.309 12.104 -11.374 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.832 12.377 -12.473 1.00 0.00 O ATOM 318 NE2 GLN A 21 17.696 12.395 -10.224 1.00 0.00 N ATOM 0 H GLN A 21 23.474 13.134 -12.211 1.00 0.00 H new ATOM 0 HA GLN A 21 21.999 11.291 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.626 13.297 -11.634 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.699 12.189 -12.990 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.607 10.435 -11.769 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.894 11.213 -10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.133 12.148 -9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.791 12.865 -10.233 1.00 0.00 H new ATOM 327 N CYS A 22 22.757 9.458 -11.920 1.00 0.00 N ATOM 328 CA CYS A 22 23.271 8.375 -12.734 1.00 0.00 C ATOM 329 C CYS A 22 22.412 7.133 -12.540 1.00 0.00 C ATOM 330 O CYS A 22 21.708 7.012 -11.540 1.00 0.00 O ATOM 331 CB CYS A 22 24.722 8.094 -12.349 1.00 0.00 C ATOM 332 SG CYS A 22 25.876 8.151 -13.742 1.00 0.00 S ATOM 0 H CYS A 22 22.467 9.179 -10.983 1.00 0.00 H new ATOM 0 HA CYS A 22 23.236 8.657 -13.786 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.036 8.821 -11.600 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.780 7.111 -11.882 1.00 0.00 H new ATOM 337 N THR A 23 22.472 6.207 -13.501 1.00 0.00 N ATOM 338 CA THR A 23 21.700 4.984 -13.428 1.00 0.00 C ATOM 339 C THR A 23 22.633 3.791 -13.275 1.00 0.00 C ATOM 340 O THR A 23 23.777 3.832 -13.720 1.00 0.00 O ATOM 341 CB THR A 23 20.847 4.845 -14.685 1.00 0.00 C ATOM 342 OG1 THR A 23 19.984 5.956 -14.793 1.00 0.00 O ATOM 343 CG2 THR A 23 20.021 3.565 -14.601 1.00 0.00 C ATOM 0 H THR A 23 23.051 6.290 -14.336 1.00 0.00 H new ATOM 0 HA THR A 23 21.042 5.018 -12.560 1.00 0.00 H new ATOM 0 HB THR A 23 21.495 4.802 -15.561 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.437 5.868 -15.601 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.411 3.466 -15.499 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.688 2.707 -14.518 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.373 3.607 -13.726 1.00 0.00 H new ATOM 351 N SER A 24 22.138 2.724 -12.642 1.00 0.00 N ATOM 352 CA SER A 24 22.925 1.526 -12.434 1.00 0.00 C ATOM 353 C SER A 24 22.898 0.666 -13.690 1.00 0.00 C ATOM 354 O SER A 24 23.780 -0.164 -13.897 1.00 0.00 O ATOM 355 CB SER A 24 22.373 0.756 -11.239 1.00 0.00 C ATOM 356 OG SER A 24 21.106 0.228 -11.565 1.00 0.00 O ATOM 0 H SER A 24 21.191 2.675 -12.267 1.00 0.00 H new ATOM 0 HA SER A 24 23.960 1.798 -12.227 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.055 -0.049 -10.965 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.293 1.414 -10.374 1.00 0.00 H new ATOM 0 HG SER A 24 20.801 -0.360 -10.843 1.00 0.00 H new ATOM 362 N ASN A 25 21.879 0.867 -14.529 1.00 0.00 N ATOM 363 CA ASN A 25 21.743 0.112 -15.758 1.00 0.00 C ATOM 364 C ASN A 25 21.315 -1.315 -15.446 1.00 0.00 C ATOM 365 O ASN A 25 21.038 -2.097 -16.353 1.00 0.00 O ATOM 366 CB ASN A 25 23.071 0.124 -16.511 1.00 0.00 C ATOM 367 CG ASN A 25 22.867 -0.225 -17.978 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.163 -1.342 -18.399 1.00 0.00 O ATOM 369 ND2 ASN A 25 22.358 0.733 -18.757 1.00 0.00 N ATOM 0 H ASN A 25 21.138 1.550 -14.371 1.00 0.00 H new ATOM 0 HA ASN A 25 20.978 0.570 -16.385 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.532 1.108 -16.428 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.758 -0.589 -16.056 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.199 0.553 -19.748 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.128 1.644 -18.361 1.00 0.00 H new ATOM 376 N CYS A 26 21.260 -1.653 -14.156 1.00 0.00 N ATOM 377 CA CYS A 26 20.866 -2.979 -13.727 1.00 0.00 C ATOM 378 C CYS A 26 19.401 -3.216 -14.068 1.00 0.00 C ATOM 379 O CYS A 26 18.662 -2.270 -14.331 1.00 0.00 O ATOM 380 CB CYS A 26 21.102 -3.120 -12.226 1.00 0.00 C ATOM 381 SG CYS A 26 22.832 -2.922 -11.732 1.00 0.00 S ATOM 0 H CYS A 26 21.487 -1.016 -13.393 1.00 0.00 H new ATOM 0 HA CYS A 26 21.466 -3.727 -14.246 1.00 0.00 H new ATOM 0 HB2 CYS A 26 20.498 -2.379 -11.702 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.753 -4.101 -11.904 1.00 0.00 H new ATOM 386 N ASN A 27 18.982 -4.484 -14.061 1.00 0.00 N ATOM 387 CA ASN A 27 17.611 -4.835 -14.368 1.00 0.00 C ATOM 388 C ASN A 27 17.157 -5.984 -13.478 1.00 0.00 C ATOM 389 O ASN A 27 16.652 -6.991 -13.967 1.00 0.00 O ATOM 390 CB ASN A 27 17.503 -5.220 -15.841 1.00 0.00 C ATOM 391 CG ASN A 27 16.156 -4.803 -16.415 1.00 0.00 C ATOM 392 OD1 ASN A 27 16.098 -4.028 -17.367 1.00 0.00 O ATOM 393 ND2 ASN A 27 15.072 -5.320 -15.832 1.00 0.00 N ATOM 0 H ASN A 27 19.582 -5.280 -13.844 1.00 0.00 H new ATOM 0 HA ASN A 27 16.964 -3.979 -14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 27 18.306 -4.745 -16.405 1.00 0.00 H new ATOM 0 HB3 ASN A 27 17.631 -6.297 -15.950 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.143 -5.075 -16.175 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.173 -5.960 -15.044 1.00 0.00 H new ATOM 400 N ILE A 28 17.340 -5.828 -12.164 1.00 0.00 N ATOM 401 CA ILE A 28 16.950 -6.846 -11.209 1.00 0.00 C ATOM 402 C ILE A 28 16.135 -6.216 -10.089 1.00 0.00 C ATOM 403 O ILE A 28 16.398 -5.085 -9.688 1.00 0.00 O ATOM 404 CB ILE A 28 18.198 -7.527 -10.655 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.805 -8.429 -11.726 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.820 -8.367 -9.437 1.00 0.00 C ATOM 407 CD1 ILE A 28 20.127 -9.001 -11.221 1.00 0.00 C ATOM 0 H ILE A 28 17.759 -4.998 -11.744 1.00 0.00 H new ATOM 0 HA ILE A 28 16.332 -7.597 -11.702 1.00 0.00 H new ATOM 0 HB ILE A 28 18.926 -6.770 -10.364 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.116 -9.238 -11.969 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.968 -7.863 -12.643 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.711 -8.854 -9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.387 -7.723 -8.671 1.00 0.00 H new ATOM 0 HG23 ILE A 28 17.092 -9.124 -9.729 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.561 -9.645 -11.986 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.816 -8.185 -11.000 1.00 0.00 H new ATOM 0 HD13 ILE A 28 19.950 -9.581 -10.315 1.00 0.00 H new ATOM 419 N THR A 29 15.143 -6.952 -9.584 1.00 0.00 N ATOM 420 CA THR A 29 14.298 -6.459 -8.513 1.00 0.00 C ATOM 421 C THR A 29 14.350 -7.415 -7.330 1.00 0.00 C ATOM 422 O THR A 29 13.793 -8.509 -7.385 1.00 0.00 O ATOM 423 CB THR A 29 12.868 -6.309 -9.024 1.00 0.00 C ATOM 424 OG1 THR A 29 12.879 -5.635 -10.262 1.00 0.00 O ATOM 425 CG2 THR A 29 12.050 -5.506 -8.016 1.00 0.00 C ATOM 0 H THR A 29 14.911 -7.892 -9.905 1.00 0.00 H new ATOM 0 HA THR A 29 14.657 -5.485 -8.182 1.00 0.00 H new ATOM 0 HB THR A 29 12.423 -7.296 -9.151 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.961 -5.540 -10.591 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.028 -5.398 -8.380 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.041 -6.026 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.496 -4.520 -7.889 1.00 0.00 H new ATOM 433 N SER A 30 15.025 -6.997 -6.256 1.00 0.00 N ATOM 434 CA SER A 30 15.146 -7.813 -5.066 1.00 0.00 C ATOM 435 C SER A 30 14.074 -7.422 -4.059 1.00 0.00 C ATOM 436 O SER A 30 13.879 -6.240 -3.783 1.00 0.00 O ATOM 437 CB SER A 30 16.539 -7.637 -4.469 1.00 0.00 C ATOM 438 OG SER A 30 16.882 -6.270 -4.474 1.00 0.00 O ATOM 0 H SER A 30 15.494 -6.093 -6.196 1.00 0.00 H new ATOM 0 HA SER A 30 15.006 -8.862 -5.325 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.562 -8.025 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.268 -8.208 -5.044 1.00 0.00 H new ATOM 0 HG SER A 30 17.690 -6.134 -3.937 1.00 0.00 H new ATOM 444 N ILE A 31 13.377 -8.420 -3.509 1.00 0.00 N ATOM 445 CA ILE A 31 12.331 -8.179 -2.536 1.00 0.00 C ATOM 446 C ILE A 31 12.924 -8.178 -1.134 1.00 0.00 C ATOM 447 O ILE A 31 13.433 -9.197 -0.672 1.00 0.00 O ATOM 448 CB ILE A 31 11.256 -9.254 -2.668 1.00 0.00 C ATOM 449 CG1 ILE A 31 11.833 -10.465 -3.394 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.078 -8.698 -3.462 1.00 0.00 C ATOM 451 CD1 ILE A 31 12.967 -11.063 -2.566 1.00 0.00 C ATOM 0 H ILE A 31 13.526 -9.405 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 31 11.876 -7.206 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 31 10.918 -9.554 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.054 -11.210 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.202 -10.171 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.309 -9.465 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.665 -7.833 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.417 -8.399 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 31 13.379 -11.928 -3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 31 13.749 -10.317 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 31 12.584 -11.372 -1.593 1.00 0.00 H new ATOM 463 N CYS A 32 12.857 -7.029 -0.455 1.00 0.00 N ATOM 464 CA CYS A 32 13.386 -6.901 0.887 1.00 0.00 C ATOM 465 C CYS A 32 12.254 -7.019 1.899 1.00 0.00 C ATOM 466 O CYS A 32 11.941 -6.058 2.598 1.00 0.00 O ATOM 467 CB CYS A 32 14.099 -5.559 1.027 1.00 0.00 C ATOM 468 SG CYS A 32 15.359 -5.261 -0.238 1.00 0.00 S ATOM 0 H CYS A 32 12.437 -6.176 -0.824 1.00 0.00 H new ATOM 0 HA CYS A 32 14.103 -7.699 1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.359 -4.760 0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.567 -5.508 2.010 1.00 0.00 H new ATOM 473 N GLU A 33 11.641 -8.203 1.975 1.00 0.00 N ATOM 474 CA GLU A 33 10.551 -8.437 2.901 1.00 0.00 C ATOM 475 C GLU A 33 11.074 -8.441 4.330 1.00 0.00 C ATOM 476 O GLU A 33 10.299 -8.526 5.280 1.00 0.00 O ATOM 477 CB GLU A 33 9.879 -9.766 2.567 1.00 0.00 C ATOM 478 CG GLU A 33 8.659 -9.959 3.464 1.00 0.00 C ATOM 479 CD GLU A 33 7.409 -10.204 2.631 1.00 0.00 C ATOM 480 OE1 GLU A 33 7.328 -11.300 2.036 1.00 0.00 O ATOM 481 OE2 GLU A 33 6.556 -9.291 2.607 1.00 0.00 O ATOM 0 H GLU A 33 11.888 -9.010 1.402 1.00 0.00 H new ATOM 0 HA GLU A 33 9.815 -7.638 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.579 -9.781 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.582 -10.587 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.825 -10.802 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.518 -9.077 4.089 1.00 0.00 H new ATOM 488 N LYS A 34 12.398 -8.348 4.482 1.00 0.00 N ATOM 489 CA LYS A 34 13.017 -8.340 5.791 1.00 0.00 C ATOM 490 C LYS A 34 12.833 -6.977 6.444 1.00 0.00 C ATOM 491 O LYS A 34 13.135 -6.803 7.622 1.00 0.00 O ATOM 492 CB LYS A 34 14.499 -8.677 5.654 1.00 0.00 C ATOM 493 CG LYS A 34 14.743 -10.103 6.139 1.00 0.00 C ATOM 494 CD LYS A 34 16.065 -10.164 6.898 1.00 0.00 C ATOM 495 CE LYS A 34 16.187 -11.512 7.602 1.00 0.00 C ATOM 496 NZ LYS A 34 16.192 -12.617 6.630 1.00 0.00 N ATOM 0 H LYS A 34 13.056 -8.277 3.706 1.00 0.00 H new ATOM 0 HA LYS A 34 12.543 -9.090 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.811 -8.577 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.098 -7.976 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.926 -10.423 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.766 -10.788 5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.898 -10.025 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.115 -9.355 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.104 -11.537 8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.358 -11.639 8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.477 -13.497 7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.239 -12.733 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.864 -12.404 5.865 1.00 0.00 H new ATOM 510 N ASN A 35 12.336 -6.009 5.672 1.00 0.00 N ATOM 511 CA ASN A 35 12.114 -4.669 6.177 1.00 0.00 C ATOM 512 C ASN A 35 13.448 -4.003 6.486 1.00 0.00 C ATOM 513 O ASN A 35 13.664 -2.845 6.136 1.00 0.00 O ATOM 514 CB ASN A 35 11.241 -4.736 7.427 1.00 0.00 C ATOM 515 CG ASN A 35 9.899 -4.060 7.189 1.00 0.00 C ATOM 516 OD1 ASN A 35 9.156 -4.450 6.292 1.00 0.00 O ATOM 517 ND2 ASN A 35 9.588 -3.045 7.999 1.00 0.00 N ATOM 0 H ASN A 35 12.081 -6.137 4.693 1.00 0.00 H new ATOM 0 HA ASN A 35 11.601 -4.073 5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.083 -5.777 7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.753 -4.253 8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.699 -2.557 7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.239 -2.758 8.730 1.00 0.00 H new ATOM 524 N ASN A 36 14.344 -4.741 7.145 1.00 0.00 N ATOM 525 CA ASN A 36 15.649 -4.222 7.498 1.00 0.00 C ATOM 526 C ASN A 36 16.577 -4.290 6.293 1.00 0.00 C ATOM 527 O ASN A 36 17.796 -4.273 6.441 1.00 0.00 O ATOM 528 CB ASN A 36 16.218 -5.025 8.663 1.00 0.00 C ATOM 529 CG ASN A 36 17.339 -4.261 9.354 1.00 0.00 C ATOM 530 OD1 ASN A 36 18.559 -4.801 9.290 1.00 0.00 O flip ATOM 531 ND2 ASN A 36 17.106 -3.205 9.935 1.00 0.00 N flip ATOM 0 H ASN A 36 14.180 -5.703 7.442 1.00 0.00 H new ATOM 0 HA ASN A 36 15.558 -3.179 7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.426 -5.244 9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.594 -5.982 8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.156 -2.833 9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.862 -2.699 10.397 1.00 0.00 H new ATOM 538 N GLU A 37 15.993 -4.366 5.093 1.00 0.00 N ATOM 539 CA GLU A 37 16.768 -4.434 3.872 1.00 0.00 C ATOM 540 C GLU A 37 16.402 -3.273 2.958 1.00 0.00 C ATOM 541 O GLU A 37 15.245 -3.123 2.573 1.00 0.00 O ATOM 542 CB GLU A 37 16.509 -5.770 3.180 1.00 0.00 C ATOM 543 CG GLU A 37 17.682 -6.711 3.433 1.00 0.00 C ATOM 544 CD GLU A 37 17.568 -7.964 2.576 1.00 0.00 C ATOM 545 OE1 GLU A 37 17.880 -7.857 1.371 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.170 -9.005 3.143 1.00 0.00 O ATOM 0 H GLU A 37 14.983 -4.381 4.952 1.00 0.00 H new ATOM 0 HA GLU A 37 17.830 -4.361 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.586 -6.213 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.376 -5.617 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.618 -6.199 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.711 -6.988 4.487 1.00 0.00 H new ATOM 553 N VAL A 38 17.394 -2.451 2.611 1.00 0.00 N ATOM 554 CA VAL A 38 17.175 -1.309 1.746 1.00 0.00 C ATOM 555 C VAL A 38 17.966 -1.480 0.458 1.00 0.00 C ATOM 556 O VAL A 38 18.796 -2.381 0.351 1.00 0.00 O ATOM 557 CB VAL A 38 17.593 -0.033 2.472 1.00 0.00 C ATOM 558 CG1 VAL A 38 16.720 0.156 3.710 1.00 0.00 C ATOM 559 CG2 VAL A 38 19.055 -0.145 2.894 1.00 0.00 C ATOM 0 H VAL A 38 18.359 -2.563 2.922 1.00 0.00 H new ATOM 0 HA VAL A 38 16.117 -1.237 1.493 1.00 0.00 H new ATOM 0 HB VAL A 38 17.471 0.821 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.018 1.067 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.675 0.234 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.843 -0.698 4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.355 0.766 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.177 -0.999 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.679 -0.282 2.011 1.00 0.00 H new ATOM 569 N CYS A 39 17.710 -0.612 -0.524 1.00 0.00 N ATOM 570 CA CYS A 39 18.397 -0.670 -1.797 1.00 0.00 C ATOM 571 C CYS A 39 19.662 0.175 -1.738 1.00 0.00 C ATOM 572 O CYS A 39 19.604 1.361 -1.417 1.00 0.00 O ATOM 573 CB CYS A 39 17.466 -0.174 -2.900 1.00 0.00 C ATOM 574 SG CYS A 39 15.708 -0.420 -2.543 1.00 0.00 S ATOM 0 H CYS A 39 17.025 0.141 -0.451 1.00 0.00 H new ATOM 0 HA CYS A 39 18.681 -1.699 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.648 0.888 -3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.713 -0.688 -3.829 1.00 0.00 H new ATOM 579 N ALA A 40 20.807 -0.437 -2.049 1.00 0.00 N ATOM 580 CA ALA A 40 22.076 0.260 -2.029 1.00 0.00 C ATOM 581 C ALA A 40 22.813 0.027 -3.341 1.00 0.00 C ATOM 582 O ALA A 40 22.867 -1.098 -3.834 1.00 0.00 O ATOM 583 CB ALA A 40 22.907 -0.232 -0.848 1.00 0.00 C ATOM 0 H ALA A 40 20.871 -1.419 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 40 21.906 1.331 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.863 0.292 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.371 -0.037 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.082 -1.303 -0.948 1.00 0.00 H new ATOM 589 N ALA A 41 23.381 1.094 -3.906 1.00 0.00 N ATOM 590 CA ALA A 41 24.109 1.002 -5.155 1.00 0.00 C ATOM 591 C ALA A 41 25.457 1.695 -5.019 1.00 0.00 C ATOM 592 O ALA A 41 25.521 2.869 -4.657 1.00 0.00 O ATOM 593 CB ALA A 41 23.285 1.636 -6.271 1.00 0.00 C ATOM 0 H ALA A 41 23.346 2.033 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 41 24.285 -0.045 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.832 1.567 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.335 1.111 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.099 2.684 -6.035 1.00 0.00 H new ATOM 599 N VAL A 42 26.537 0.966 -5.310 1.00 0.00 N ATOM 600 CA VAL A 42 27.876 1.513 -5.219 1.00 0.00 C ATOM 601 C VAL A 42 28.534 1.494 -6.591 1.00 0.00 C ATOM 602 O VAL A 42 28.797 0.427 -7.142 1.00 0.00 O ATOM 603 CB VAL A 42 28.690 0.698 -4.217 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.333 -0.779 -4.354 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.178 0.891 -4.496 1.00 0.00 C ATOM 0 H VAL A 42 26.501 -0.008 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 42 27.829 2.546 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 42 28.464 1.033 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.914 -1.362 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.270 -0.916 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.560 -1.116 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.761 0.310 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.405 0.555 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.433 1.946 -4.398 1.00 0.00 H new ATOM 615 N TRP A 43 28.801 2.680 -7.144 1.00 0.00 N ATOM 616 CA TRP A 43 29.428 2.788 -8.445 1.00 0.00 C ATOM 617 C TRP A 43 30.891 3.174 -8.285 1.00 0.00 C ATOM 618 O TRP A 43 31.210 4.150 -7.608 1.00 0.00 O ATOM 619 CB TRP A 43 28.683 3.826 -9.282 1.00 0.00 C ATOM 620 CG TRP A 43 29.416 4.298 -10.497 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.194 3.867 -11.758 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.488 5.284 -10.596 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.049 4.515 -12.624 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.871 5.402 -11.959 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.176 6.092 -9.672 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.880 6.271 -12.384 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.189 6.967 -10.089 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.543 7.059 -11.440 1.00 0.00 C ATOM 0 H TRP A 43 28.589 3.575 -6.703 1.00 0.00 H new ATOM 0 HA TRP A 43 29.382 1.826 -8.955 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.728 3.403 -9.593 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.460 4.687 -8.652 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.460 3.128 -12.044 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.071 4.358 -13.632 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.920 6.037 -8.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.144 6.332 -13.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.702 7.577 -9.360 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.325 7.736 -11.751 1.00 0.00 H new ATOM 639 N ARG A 44 31.784 2.404 -8.912 1.00 0.00 N ATOM 640 CA ARG A 44 33.207 2.666 -8.837 1.00 0.00 C ATOM 641 C ARG A 44 33.759 2.918 -10.232 1.00 0.00 C ATOM 642 O ARG A 44 33.253 2.373 -11.211 1.00 0.00 O ATOM 643 CB ARG A 44 33.907 1.477 -8.185 1.00 0.00 C ATOM 644 CG ARG A 44 32.919 0.729 -7.296 1.00 0.00 C ATOM 645 CD ARG A 44 32.405 -0.505 -8.033 1.00 0.00 C ATOM 646 NE ARG A 44 33.140 -1.703 -7.626 1.00 0.00 N ATOM 647 CZ ARG A 44 32.560 -2.725 -6.981 1.00 0.00 C ATOM 648 NH1 ARG A 44 31.256 -2.676 -6.682 1.00 0.00 N ATOM 649 NH2 ARG A 44 33.288 -3.796 -6.633 1.00 0.00 N ATOM 0 H ARG A 44 31.536 1.592 -9.478 1.00 0.00 H new ATOM 0 HA ARG A 44 33.387 3.554 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.301 0.809 -8.951 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.756 1.821 -7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.402 0.434 -6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.086 1.381 -7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.343 -0.639 -7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.507 -0.359 -9.108 1.00 0.00 H new ATOM 0 HE ARG A 44 34.135 -1.763 -7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.703 -1.860 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 44 30.816 -3.454 -6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.282 -3.832 -6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 44 32.848 -4.574 -6.142 1.00 0.00 H new ATOM 663 N ARG A 45 34.802 3.748 -10.322 1.00 0.00 N ATOM 664 CA ARG A 45 35.416 4.069 -11.594 1.00 0.00 C ATOM 665 C ARG A 45 36.924 4.186 -11.424 1.00 0.00 C ATOM 666 O ARG A 45 37.410 5.141 -10.821 1.00 0.00 O ATOM 667 CB ARG A 45 34.829 5.373 -12.127 1.00 0.00 C ATOM 668 CG ARG A 45 35.818 6.018 -13.093 1.00 0.00 C ATOM 669 CD ARG A 45 35.094 7.058 -13.945 1.00 0.00 C ATOM 670 NE ARG A 45 35.464 6.932 -15.354 1.00 0.00 N ATOM 671 CZ ARG A 45 34.653 7.305 -16.353 1.00 0.00 C ATOM 672 NH1 ARG A 45 33.446 7.818 -16.081 1.00 0.00 N ATOM 673 NH2 ARG A 45 35.049 7.164 -17.627 1.00 0.00 N ATOM 0 H ARG A 45 35.234 4.207 -9.520 1.00 0.00 H new ATOM 0 HA ARG A 45 35.212 3.274 -12.311 1.00 0.00 H new ATOM 0 HB2 ARG A 45 33.884 5.179 -12.633 1.00 0.00 H new ATOM 0 HB3 ARG A 45 34.615 6.052 -11.302 1.00 0.00 H new ATOM 0 HG2 ARG A 45 36.630 6.488 -12.538 1.00 0.00 H new ATOM 0 HG3 ARG A 45 36.267 5.258 -13.732 1.00 0.00 H new ATOM 0 HD2 ARG A 45 34.016 6.936 -13.836 1.00 0.00 H new ATOM 0 HD3 ARG A 45 35.339 8.059 -13.589 1.00 0.00 H new ATOM 0 HE ARG A 45 36.378 6.544 -15.586 1.00 0.00 H new ATOM 0 HH11 ARG A 45 33.144 7.925 -15.113 1.00 0.00 H new ATOM 0 HH12 ARG A 45 32.829 8.102 -16.842 1.00 0.00 H new ATOM 0 HH21 ARG A 45 35.968 6.773 -17.835 1.00 0.00 H new ATOM 0 HH22 ARG A 45 34.431 7.448 -18.387 1.00 0.00 H new ATOM 687 N ASN A 46 37.664 3.212 -11.957 1.00 0.00 N ATOM 688 CA ASN A 46 39.111 3.213 -11.861 1.00 0.00 C ATOM 689 C ASN A 46 39.721 3.502 -13.225 1.00 0.00 C ATOM 690 O ASN A 46 39.486 2.768 -14.182 1.00 0.00 O ATOM 691 CB ASN A 46 39.584 1.863 -11.331 1.00 0.00 C ATOM 692 CG ASN A 46 39.070 0.726 -12.203 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.671 0.406 -13.226 1.00 0.00 O ATOM 694 ND2 ASN A 46 37.955 0.116 -11.795 1.00 0.00 N ATOM 0 H ASN A 46 37.276 2.413 -12.460 1.00 0.00 H new ATOM 0 HA ASN A 46 39.433 3.993 -11.171 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.673 1.841 -11.302 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.235 1.727 -10.307 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.566 -0.653 -12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.493 0.419 -10.938 1.00 0.00 H new ATOM 701 N ASP A 47 40.508 4.576 -13.311 1.00 0.00 N ATOM 702 CA ASP A 47 41.148 4.958 -14.554 1.00 0.00 C ATOM 703 C ASP A 47 40.126 4.950 -15.682 1.00 0.00 C ATOM 704 O ASP A 47 39.345 5.888 -15.822 1.00 0.00 O ATOM 705 CB ASP A 47 42.292 3.993 -14.853 1.00 0.00 C ATOM 706 CG ASP A 47 43.364 4.667 -15.697 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.119 5.477 -15.116 1.00 0.00 O ATOM 708 OD2 ASP A 47 43.409 4.360 -16.909 1.00 0.00 O ATOM 0 H ASP A 47 40.713 5.194 -12.526 1.00 0.00 H new ATOM 0 HA ASP A 47 41.554 5.966 -14.465 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.728 3.639 -13.919 1.00 0.00 H new ATOM 0 HB3 ASP A 47 41.908 3.118 -15.377 1.00 0.00 H new ATOM 713 N GLU A 48 40.133 3.886 -16.489 1.00 0.00 N ATOM 714 CA GLU A 48 39.208 3.764 -17.598 1.00 0.00 C ATOM 715 C GLU A 48 38.286 2.573 -17.376 1.00 0.00 C ATOM 716 O GLU A 48 37.567 2.163 -18.285 1.00 0.00 O ATOM 717 CB GLU A 48 39.991 3.608 -18.897 1.00 0.00 C ATOM 718 CG GLU A 48 39.143 4.101 -20.066 1.00 0.00 C ATOM 719 CD GLU A 48 40.022 4.550 -21.225 1.00 0.00 C ATOM 720 OE1 GLU A 48 40.783 5.519 -21.018 1.00 0.00 O ATOM 721 OE2 GLU A 48 39.917 3.914 -22.295 1.00 0.00 O ATOM 0 H GLU A 48 40.774 3.099 -16.387 1.00 0.00 H new ATOM 0 HA GLU A 48 38.595 4.663 -17.664 1.00 0.00 H new ATOM 0 HB2 GLU A 48 40.920 4.175 -18.844 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.263 2.563 -19.047 1.00 0.00 H new ATOM 0 HG2 GLU A 48 38.476 3.305 -20.398 1.00 0.00 H new ATOM 0 HG3 GLU A 48 38.514 4.929 -19.740 1.00 0.00 H new ATOM 728 N ASN A 49 38.309 2.020 -16.162 1.00 0.00 N ATOM 729 CA ASN A 49 37.476 0.882 -15.826 1.00 0.00 C ATOM 730 C ASN A 49 36.524 1.250 -14.697 1.00 0.00 C ATOM 731 O ASN A 49 36.955 1.494 -13.572 1.00 0.00 O ATOM 732 CB ASN A 49 38.362 -0.294 -15.425 1.00 0.00 C ATOM 733 CG ASN A 49 38.184 -1.460 -16.387 1.00 0.00 C ATOM 734 OD1 ASN A 49 38.015 -1.258 -17.588 1.00 0.00 O ATOM 735 ND2 ASN A 49 38.224 -2.685 -15.857 1.00 0.00 N ATOM 0 H ASN A 49 38.900 2.349 -15.398 1.00 0.00 H new ATOM 0 HA ASN A 49 36.882 0.595 -16.693 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.406 0.019 -15.415 1.00 0.00 H new ATOM 0 HB3 ASN A 49 38.115 -0.612 -14.412 1.00 0.00 H new ATOM 0 HD21 ASN A 49 38.112 -3.503 -16.455 1.00 0.00 H new ATOM 0 HD22 ASN A 49 38.367 -2.802 -14.854 1.00 0.00 H new ATOM 742 N VAL A 50 35.225 1.286 -15.000 1.00 0.00 N ATOM 743 CA VAL A 50 34.218 1.622 -14.014 1.00 0.00 C ATOM 744 C VAL A 50 33.221 0.481 -13.886 1.00 0.00 C ATOM 745 O VAL A 50 32.842 -0.130 -14.884 1.00 0.00 O ATOM 746 CB VAL A 50 33.515 2.913 -14.424 1.00 0.00 C ATOM 747 CG1 VAL A 50 34.553 3.942 -14.862 1.00 0.00 C ATOM 748 CG2 VAL A 50 32.563 2.627 -15.582 1.00 0.00 C ATOM 0 H VAL A 50 34.853 1.084 -15.928 1.00 0.00 H new ATOM 0 HA VAL A 50 34.691 1.775 -13.044 1.00 0.00 H new ATOM 0 HB VAL A 50 32.951 3.304 -13.577 1.00 0.00 H new ATOM 0 HG11 VAL A 50 34.050 4.864 -15.155 1.00 0.00 H new ATOM 0 HG12 VAL A 50 35.234 4.146 -14.036 1.00 0.00 H new ATOM 0 HG13 VAL A 50 35.117 3.552 -15.709 1.00 0.00 H new ATOM 0 HG21 VAL A 50 32.060 3.548 -15.876 1.00 0.00 H new ATOM 0 HG22 VAL A 50 33.127 2.236 -16.429 1.00 0.00 H new ATOM 0 HG23 VAL A 50 31.821 1.892 -15.270 1.00 0.00 H new ATOM 758 N THR A 51 32.792 0.194 -12.655 1.00 0.00 N ATOM 759 CA THR A 51 31.840 -0.871 -12.409 1.00 0.00 C ATOM 760 C THR A 51 30.773 -0.397 -11.433 1.00 0.00 C ATOM 761 O THR A 51 31.065 0.350 -10.502 1.00 0.00 O ATOM 762 CB THR A 51 32.574 -2.089 -11.857 1.00 0.00 C ATOM 763 OG1 THR A 51 32.491 -2.091 -10.449 1.00 0.00 O ATOM 764 CG2 THR A 51 34.040 -2.036 -12.279 1.00 0.00 C ATOM 0 H THR A 51 33.095 0.690 -11.817 1.00 0.00 H new ATOM 0 HA THR A 51 31.351 -1.149 -13.343 1.00 0.00 H new ATOM 0 HB THR A 51 32.115 -2.996 -12.250 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.199 -2.659 -10.080 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.564 -2.907 -11.884 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.106 -2.035 -13.367 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.499 -1.128 -11.887 1.00 0.00 H new ATOM 772 N LEU A 52 29.530 -0.835 -11.650 1.00 0.00 N ATOM 773 CA LEU A 52 28.426 -0.457 -10.792 1.00 0.00 C ATOM 774 C LEU A 52 27.779 -1.702 -10.203 1.00 0.00 C ATOM 775 O LEU A 52 27.493 -2.657 -10.923 1.00 0.00 O ATOM 776 CB LEU A 52 27.410 0.350 -11.597 1.00 0.00 C ATOM 777 CG LEU A 52 26.583 1.215 -10.650 1.00 0.00 C ATOM 778 CD1 LEU A 52 25.999 2.396 -11.418 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.449 0.380 -10.061 1.00 0.00 C ATOM 0 H LEU A 52 29.272 -1.454 -12.418 1.00 0.00 H new ATOM 0 HA LEU A 52 28.794 0.160 -9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.923 0.978 -12.326 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.758 -0.321 -12.157 1.00 0.00 H new ATOM 0 HG LEU A 52 27.219 1.585 -9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.408 3.014 -10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.808 2.992 -11.840 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.362 2.028 -12.222 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.857 0.996 -9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.813 0.011 -10.866 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.866 -0.464 -9.512 1.00 0.00 H new ATOM 791 N GLU A 53 27.546 -1.691 -8.889 1.00 0.00 N ATOM 792 CA GLU A 53 26.934 -2.817 -8.213 1.00 0.00 C ATOM 793 C GLU A 53 25.666 -2.369 -7.499 1.00 0.00 C ATOM 794 O GLU A 53 25.626 -1.286 -6.920 1.00 0.00 O ATOM 795 CB GLU A 53 27.929 -3.418 -7.223 1.00 0.00 C ATOM 796 CG GLU A 53 27.644 -4.908 -7.057 1.00 0.00 C ATOM 797 CD GLU A 53 28.414 -5.478 -5.874 1.00 0.00 C ATOM 798 OE1 GLU A 53 28.890 -4.659 -5.059 1.00 0.00 O ATOM 799 OE2 GLU A 53 28.510 -6.723 -5.808 1.00 0.00 O ATOM 0 H GLU A 53 27.776 -0.908 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 53 26.663 -3.579 -8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 53 28.948 -3.269 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 53 27.851 -2.912 -6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.575 -5.064 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 53 27.922 -5.439 -7.967 1.00 0.00 H new ATOM 806 N THR A 54 24.629 -3.208 -7.542 1.00 0.00 N ATOM 807 CA THR A 54 23.369 -2.894 -6.899 1.00 0.00 C ATOM 808 C THR A 54 22.848 -4.115 -6.154 1.00 0.00 C ATOM 809 O THR A 54 22.813 -5.213 -6.704 1.00 0.00 O ATOM 810 CB THR A 54 22.364 -2.432 -7.950 1.00 0.00 C ATOM 811 OG1 THR A 54 22.266 -3.405 -8.966 1.00 0.00 O ATOM 812 CG2 THR A 54 22.830 -1.111 -8.555 1.00 0.00 C ATOM 0 H THR A 54 24.646 -4.110 -8.018 1.00 0.00 H new ATOM 0 HA THR A 54 23.516 -2.091 -6.177 1.00 0.00 H new ATOM 0 HB THR A 54 21.389 -2.294 -7.483 1.00 0.00 H new ATOM 0 HG1 THR A 54 22.921 -3.211 -9.669 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.112 -0.781 -9.306 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.906 -0.358 -7.770 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.805 -1.249 -9.022 1.00 0.00 H new ATOM 820 N ILE A 55 22.441 -3.917 -4.898 1.00 0.00 N ATOM 821 CA ILE A 55 21.923 -4.997 -4.082 1.00 0.00 C ATOM 822 C ILE A 55 21.251 -4.428 -2.840 1.00 0.00 C ATOM 823 O ILE A 55 21.462 -3.267 -2.497 1.00 0.00 O ATOM 824 CB ILE A 55 23.063 -5.937 -3.700 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.351 -5.136 -3.536 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.248 -6.983 -4.795 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.911 -5.355 -2.134 1.00 0.00 C ATOM 0 H ILE A 55 22.464 -3.011 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 55 21.180 -5.561 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 55 22.824 -6.434 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.082 -5.445 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.156 -4.076 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.062 -7.655 -4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.328 -7.556 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.486 -6.487 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.831 -4.783 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.181 -5.024 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 55 25.121 -6.414 -1.988 1.00 0.00 H new ATOM 839 N CYS A 56 20.442 -5.249 -2.167 1.00 0.00 N ATOM 840 CA CYS A 56 19.746 -4.824 -0.969 1.00 0.00 C ATOM 841 C CYS A 56 20.655 -4.987 0.240 1.00 0.00 C ATOM 842 O CYS A 56 20.612 -6.010 0.920 1.00 0.00 O ATOM 843 CB CYS A 56 18.472 -5.647 -0.804 1.00 0.00 C ATOM 844 SG CYS A 56 17.080 -4.717 -0.114 1.00 0.00 S ATOM 0 H CYS A 56 20.258 -6.214 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 56 19.474 -3.772 -1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 56 18.182 -6.048 -1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 56 18.683 -6.499 -0.157 1.00 0.00 H new ATOM 849 N HIS A 57 21.482 -3.974 0.508 1.00 0.00 N ATOM 850 CA HIS A 57 22.397 -4.015 1.633 1.00 0.00 C ATOM 851 C HIS A 57 22.019 -2.947 2.649 1.00 0.00 C ATOM 852 O HIS A 57 21.453 -1.916 2.290 1.00 0.00 O ATOM 853 CB HIS A 57 23.823 -3.804 1.134 1.00 0.00 C ATOM 854 CG HIS A 57 24.786 -3.489 2.245 1.00 0.00 C ATOM 855 ND1 HIS A 57 25.413 -4.406 3.059 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.196 -2.242 2.628 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.187 -3.714 3.916 1.00 0.00 C ATOM 858 NE2 HIS A 57 26.089 -2.393 3.693 1.00 0.00 N ATOM 0 H HIS A 57 21.531 -3.118 -0.044 1.00 0.00 H new ATOM 0 HA HIS A 57 22.335 -4.988 2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.157 -4.701 0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.833 -2.991 0.408 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.885 -1.307 2.186 1.00 0.00 H new ATOM 0 HE1 HIS A 57 26.804 -4.161 4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.570 -1.649 4.199 1.00 0.00 H new ATOM 866 N ASP A 58 22.333 -3.197 3.922 1.00 0.00 N ATOM 867 CA ASP A 58 22.025 -2.259 4.984 1.00 0.00 C ATOM 868 C ASP A 58 23.121 -1.206 5.074 1.00 0.00 C ATOM 869 O ASP A 58 24.302 -1.540 5.128 1.00 0.00 O ATOM 870 CB ASP A 58 21.890 -3.013 6.303 1.00 0.00 C ATOM 871 CG ASP A 58 20.428 -3.294 6.620 1.00 0.00 C ATOM 872 OD1 ASP A 58 19.584 -2.489 6.170 1.00 0.00 O ATOM 873 OD2 ASP A 58 20.182 -4.308 7.308 1.00 0.00 O ATOM 0 H ASP A 58 22.802 -4.047 4.235 1.00 0.00 H new ATOM 0 HA ASP A 58 21.082 -1.756 4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.441 -3.952 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.335 -2.428 7.108 1.00 0.00 H new ATOM 878 N PRO A 59 22.726 0.069 5.090 1.00 0.00 N ATOM 879 CA PRO A 59 23.624 1.201 5.173 1.00 0.00 C ATOM 880 C PRO A 59 24.205 1.289 6.578 1.00 0.00 C ATOM 881 O PRO A 59 24.544 2.374 7.045 1.00 0.00 O ATOM 882 CB PRO A 59 22.754 2.416 4.864 1.00 0.00 C ATOM 883 CG PRO A 59 21.378 1.985 5.372 1.00 0.00 C ATOM 884 CD PRO A 59 21.345 0.498 5.028 1.00 0.00 C ATOM 0 HA PRO A 59 24.465 1.126 4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.112 3.310 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.739 2.642 3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.270 2.155 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.575 2.533 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.727 -0.057 5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.924 0.331 4.036 1.00 0.00 H new ATOM 892 N GLN A 60 24.319 0.142 7.252 1.00 0.00 N ATOM 893 CA GLN A 60 24.854 0.096 8.597 1.00 0.00 C ATOM 894 C GLN A 60 26.307 -0.357 8.560 1.00 0.00 C ATOM 895 O GLN A 60 27.146 0.181 9.279 1.00 0.00 O ATOM 896 CB GLN A 60 24.013 -0.853 9.446 1.00 0.00 C ATOM 897 CG GLN A 60 24.235 -2.288 8.976 1.00 0.00 C ATOM 898 CD GLN A 60 22.992 -3.135 9.211 1.00 0.00 C ATOM 899 OE1 GLN A 60 22.813 -4.169 8.571 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.131 -2.692 10.130 1.00 0.00 N ATOM 0 H GLN A 60 24.044 -0.766 6.878 1.00 0.00 H new ATOM 0 HA GLN A 60 24.816 1.091 9.041 1.00 0.00 H new ATOM 0 HB2 GLN A 60 24.286 -0.757 10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.958 -0.592 9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.488 -2.293 7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 60 25.082 -2.722 9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.324 -1.827 10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.280 -3.218 10.327 1.00 0.00 H new ATOM 909 N LYS A 61 26.602 -1.349 7.717 1.00 0.00 N ATOM 910 CA LYS A 61 27.949 -1.868 7.591 1.00 0.00 C ATOM 911 C LYS A 61 28.725 -1.050 6.568 1.00 0.00 C ATOM 912 O LYS A 61 28.134 -0.431 5.686 1.00 0.00 O ATOM 913 CB LYS A 61 27.892 -3.335 7.179 1.00 0.00 C ATOM 914 CG LYS A 61 27.070 -4.118 8.198 1.00 0.00 C ATOM 915 CD LYS A 61 25.859 -4.740 7.508 1.00 0.00 C ATOM 916 CE LYS A 61 25.256 -5.814 8.408 1.00 0.00 C ATOM 917 NZ LYS A 61 25.170 -7.104 7.705 1.00 0.00 N ATOM 0 H LYS A 61 25.918 -1.805 7.113 1.00 0.00 H new ATOM 0 HA LYS A 61 28.462 -1.793 8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.447 -3.428 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 61 28.900 -3.746 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.682 -4.897 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.744 -3.458 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 61 25.116 -3.972 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 61 26.155 -5.175 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 61 25.864 -5.925 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 61 24.262 -5.506 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.757 -7.818 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.570 -7.001 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 26.122 -7.407 7.417 1.00 0.00 H new ATOM 931 N ARG A 62 30.055 -1.050 6.688 1.00 0.00 N ATOM 932 CA ARG A 62 30.905 -0.310 5.778 1.00 0.00 C ATOM 933 C ARG A 62 31.292 -1.194 4.600 1.00 0.00 C ATOM 934 O ARG A 62 31.907 -2.241 4.783 1.00 0.00 O ATOM 935 CB ARG A 62 32.147 0.173 6.521 1.00 0.00 C ATOM 936 CG ARG A 62 31.899 1.574 7.070 1.00 0.00 C ATOM 937 CD ARG A 62 30.653 1.563 7.950 1.00 0.00 C ATOM 938 NE ARG A 62 30.773 2.531 9.042 1.00 0.00 N ATOM 939 CZ ARG A 62 29.766 3.331 9.417 1.00 0.00 C ATOM 940 NH1 ARG A 62 28.586 3.264 8.784 1.00 0.00 N ATOM 941 NH2 ARG A 62 29.937 4.197 10.424 1.00 0.00 N ATOM 0 H ARG A 62 30.560 -1.560 7.413 1.00 0.00 H new ATOM 0 HA ARG A 62 30.366 0.557 5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.386 -0.511 7.335 1.00 0.00 H new ATOM 0 HB3 ARG A 62 33.005 0.181 5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.761 1.908 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 62 31.771 2.280 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 62 29.776 1.797 7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.502 0.564 8.360 1.00 0.00 H new ATOM 0 HE ARG A 62 31.661 2.599 9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 62 28.455 2.604 8.017 1.00 0.00 H new ATOM 0 HH12 ARG A 62 27.819 3.873 9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 62 30.834 4.248 10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 62 29.170 4.806 10.709 1.00 0.00 H new ATOM 955 N LEU A 63 30.926 -0.768 3.388 1.00 0.00 N ATOM 956 CA LEU A 63 31.235 -1.520 2.188 1.00 0.00 C ATOM 957 C LEU A 63 32.432 -0.898 1.484 1.00 0.00 C ATOM 958 O LEU A 63 32.491 0.316 1.308 1.00 0.00 O ATOM 959 CB LEU A 63 30.016 -1.536 1.270 1.00 0.00 C ATOM 960 CG LEU A 63 30.382 -2.209 -0.049 1.00 0.00 C ATOM 961 CD1 LEU A 63 30.083 -3.703 0.042 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.561 -1.594 -1.179 1.00 0.00 C ATOM 0 H LEU A 63 30.414 0.098 3.221 1.00 0.00 H new ATOM 0 HA LEU A 63 31.487 -2.547 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.195 -2.070 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.671 -0.518 1.088 1.00 0.00 H new ATOM 0 HG LEU A 63 31.443 -2.062 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 63 30.344 -4.184 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 63 30.669 -4.143 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 63 29.022 -3.850 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.822 -2.075 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.500 -1.740 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.774 -0.527 -1.244 1.00 0.00 H new ATOM 974 N TYR A 64 33.389 -1.737 1.078 1.00 0.00 N ATOM 975 CA TYR A 64 34.578 -1.266 0.397 1.00 0.00 C ATOM 976 C TYR A 64 35.209 -0.127 1.187 1.00 0.00 C ATOM 977 O TYR A 64 35.944 0.686 0.630 1.00 0.00 O ATOM 978 CB TYR A 64 34.209 -0.808 -1.011 1.00 0.00 C ATOM 979 CG TYR A 64 33.418 -1.834 -1.789 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.908 -3.137 -1.929 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.195 -1.479 -2.370 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.175 -4.086 -2.652 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.462 -2.429 -3.092 1.00 0.00 C ATOM 984 CZ TYR A 64 31.952 -3.732 -3.233 1.00 0.00 C ATOM 985 OH TYR A 64 31.238 -4.657 -3.936 1.00 0.00 O ATOM 0 H TYR A 64 33.355 -2.747 1.214 1.00 0.00 H new ATOM 0 HA TYR A 64 35.304 -2.076 0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.629 0.113 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 64 35.121 -0.572 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.851 -3.411 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.817 -0.473 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.554 -5.092 -2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.518 -2.156 -3.540 1.00 0.00 H new ATOM 0 HH TYR A 64 30.477 -4.220 -4.372 1.00 0.00 H new ATOM 995 N GLY A 65 34.919 -0.070 2.489 1.00 0.00 N ATOM 996 CA GLY A 65 35.459 0.969 3.343 1.00 0.00 C ATOM 997 C GLY A 65 34.652 2.250 3.190 1.00 0.00 C ATOM 998 O GLY A 65 35.143 3.337 3.485 1.00 0.00 O ATOM 0 H GLY A 65 34.312 -0.736 2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.440 0.641 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.502 1.155 3.086 1.00 0.00 H new ATOM 1002 N HIS A 66 33.408 2.119 2.724 1.00 0.00 N ATOM 1003 CA HIS A 66 32.542 3.267 2.531 1.00 0.00 C ATOM 1004 C HIS A 66 31.265 3.095 3.341 1.00 0.00 C ATOM 1005 O HIS A 66 30.691 2.009 3.382 1.00 0.00 O ATOM 1006 CB HIS A 66 32.225 3.419 1.047 1.00 0.00 C ATOM 1007 CG HIS A 66 33.430 3.214 0.172 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.745 3.270 0.575 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.417 2.941 -1.169 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.506 3.032 -0.509 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.744 2.826 -1.595 1.00 0.00 N ATOM 0 H HIS A 66 32.984 1.225 2.475 1.00 0.00 H new ATOM 0 HA HIS A 66 33.047 4.169 2.876 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.453 2.701 0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.815 4.413 0.867 1.00 0.00 H new ATOM 0 HD1 HIS A 66 35.080 3.457 1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.538 2.834 -1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.586 3.010 -0.506 1.00 0.00 H new ATOM 1019 N MET A 67 30.819 4.174 3.989 1.00 0.00 N ATOM 1020 CA MET A 67 29.614 4.136 4.794 1.00 0.00 C ATOM 1021 C MET A 67 28.611 5.155 4.273 1.00 0.00 C ATOM 1022 O MET A 67 28.894 6.351 4.240 1.00 0.00 O ATOM 1023 CB MET A 67 29.968 4.423 6.250 1.00 0.00 C ATOM 1024 CG MET A 67 30.967 5.577 6.313 1.00 0.00 C ATOM 1025 SD MET A 67 30.670 6.731 7.675 1.00 0.00 S ATOM 1026 CE MET A 67 32.373 6.936 8.256 1.00 0.00 C ATOM 0 H MET A 67 31.282 5.083 3.966 1.00 0.00 H new ATOM 0 HA MET A 67 29.162 3.146 4.731 1.00 0.00 H new ATOM 0 HB2 MET A 67 29.068 4.676 6.811 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.394 3.533 6.714 1.00 0.00 H new ATOM 0 HG2 MET A 67 31.973 5.169 6.409 1.00 0.00 H new ATOM 0 HG3 MET A 67 30.934 6.125 5.372 1.00 0.00 H new ATOM 0 HE1 MET A 67 32.388 7.622 9.103 1.00 0.00 H new ATOM 0 HE2 MET A 67 32.771 5.969 8.565 1.00 0.00 H new ATOM 0 HE3 MET A 67 32.986 7.340 7.450 1.00 0.00 H new ATOM 1036 N LEU A 68 27.432 4.677 3.865 1.00 0.00 N ATOM 1037 CA LEU A 68 26.392 5.544 3.350 1.00 0.00 C ATOM 1038 C LEU A 68 25.268 5.667 4.368 1.00 0.00 C ATOM 1039 O LEU A 68 24.859 4.675 4.968 1.00 0.00 O ATOM 1040 CB LEU A 68 25.868 4.980 2.032 1.00 0.00 C ATOM 1041 CG LEU A 68 25.963 3.457 2.058 1.00 0.00 C ATOM 1042 CD1 LEU A 68 24.886 2.895 2.981 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.761 2.911 0.647 1.00 0.00 C ATOM 0 H LEU A 68 27.182 3.688 3.885 1.00 0.00 H new ATOM 0 HA LEU A 68 26.800 6.538 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.834 5.288 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 68 26.447 5.377 1.198 1.00 0.00 H new ATOM 0 HG LEU A 68 26.946 3.160 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 68 24.954 1.807 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.031 3.285 3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.903 3.191 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 68 25.829 1.823 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.779 3.208 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.531 3.312 -0.012 1.00 0.00 H new ATOM 1055 N ASP A 69 24.771 6.890 4.564 1.00 0.00 N ATOM 1056 CA ASP A 69 23.699 7.137 5.509 1.00 0.00 C ATOM 1057 C ASP A 69 22.718 8.142 4.923 1.00 0.00 C ATOM 1058 O ASP A 69 22.921 9.348 5.035 1.00 0.00 O ATOM 1059 CB ASP A 69 24.287 7.655 6.819 1.00 0.00 C ATOM 1060 CG ASP A 69 25.189 8.856 6.572 1.00 0.00 C ATOM 1061 OD1 ASP A 69 26.360 8.620 6.204 1.00 0.00 O ATOM 1062 OD2 ASP A 69 24.691 9.988 6.757 1.00 0.00 O ATOM 0 H ASP A 69 25.100 7.722 4.075 1.00 0.00 H new ATOM 0 HA ASP A 69 23.162 6.209 5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 69 23.482 7.934 7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.855 6.862 7.306 1.00 0.00 H new ATOM 1067 N ASP A 70 21.651 7.640 4.296 1.00 0.00 N ATOM 1068 CA ASP A 70 20.646 8.495 3.695 1.00 0.00 C ATOM 1069 C ASP A 70 19.744 7.670 2.788 1.00 0.00 C ATOM 1070 O ASP A 70 19.747 7.855 1.574 1.00 0.00 O ATOM 1071 CB ASP A 70 21.331 9.609 2.910 1.00 0.00 C ATOM 1072 CG ASP A 70 21.286 10.922 3.677 1.00 0.00 C ATOM 1073 OD1 ASP A 70 20.180 11.267 4.147 1.00 0.00 O ATOM 1074 OD2 ASP A 70 22.358 11.558 3.779 1.00 0.00 O ATOM 0 H ASP A 70 21.468 6.642 4.196 1.00 0.00 H new ATOM 0 HA ASP A 70 20.031 8.944 4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.367 9.335 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 70 20.843 9.731 1.943 1.00 0.00 H new ATOM 1079 N SER A 71 18.970 6.758 3.382 1.00 0.00 N ATOM 1080 CA SER A 71 18.070 5.912 2.625 1.00 0.00 C ATOM 1081 C SER A 71 16.644 6.431 2.754 1.00 0.00 C ATOM 1082 O SER A 71 15.754 5.999 2.024 1.00 0.00 O ATOM 1083 CB SER A 71 18.171 4.478 3.134 1.00 0.00 C ATOM 1084 OG SER A 71 19.298 3.854 2.561 1.00 0.00 O ATOM 0 H SER A 71 18.955 6.593 4.388 1.00 0.00 H new ATOM 0 HA SER A 71 18.349 5.929 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.252 4.472 4.221 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.267 3.926 2.878 1.00 0.00 H new ATOM 0 HG SER A 71 19.505 3.034 3.056 1.00 0.00 H new ATOM 1090 N SER A 72 16.430 7.363 3.686 1.00 0.00 N ATOM 1091 CA SER A 72 15.117 7.937 3.904 1.00 0.00 C ATOM 1092 C SER A 72 14.789 8.917 2.786 1.00 0.00 C ATOM 1093 O SER A 72 13.689 9.463 2.737 1.00 0.00 O ATOM 1094 CB SER A 72 15.086 8.634 5.260 1.00 0.00 C ATOM 1095 OG SER A 72 15.855 9.815 5.199 1.00 0.00 O ATOM 0 H SER A 72 17.157 7.731 4.299 1.00 0.00 H new ATOM 0 HA SER A 72 14.366 7.147 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.058 8.870 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.479 7.971 6.031 1.00 0.00 H new ATOM 0 HG SER A 72 15.834 10.264 6.070 1.00 0.00 H new ATOM 1101 N SER A 73 15.750 9.138 1.885 1.00 0.00 N ATOM 1102 CA SER A 73 15.559 10.047 0.773 1.00 0.00 C ATOM 1103 C SER A 73 14.937 9.304 -0.402 1.00 0.00 C ATOM 1104 O SER A 73 15.112 8.095 -0.539 1.00 0.00 O ATOM 1105 CB SER A 73 16.901 10.657 0.379 1.00 0.00 C ATOM 1106 OG SER A 73 16.717 11.535 -0.709 1.00 0.00 O ATOM 0 H SER A 73 16.668 8.694 1.912 1.00 0.00 H new ATOM 0 HA SER A 73 14.883 10.850 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.331 11.194 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.605 9.870 0.110 1.00 0.00 H new ATOM 0 HG SER A 73 17.140 11.158 -1.509 1.00 0.00 H new ATOM 1112 N GLU A 74 14.210 10.033 -1.252 1.00 0.00 N ATOM 1113 CA GLU A 74 13.571 9.439 -2.409 1.00 0.00 C ATOM 1114 C GLU A 74 14.624 9.009 -3.421 1.00 0.00 C ATOM 1115 O GLU A 74 14.497 7.959 -4.046 1.00 0.00 O ATOM 1116 CB GLU A 74 12.607 10.447 -3.028 1.00 0.00 C ATOM 1117 CG GLU A 74 11.207 9.844 -3.084 1.00 0.00 C ATOM 1118 CD GLU A 74 11.119 8.771 -4.160 1.00 0.00 C ATOM 1119 OE1 GLU A 74 11.075 9.160 -5.347 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.098 7.582 -3.776 1.00 0.00 O ATOM 0 H GLU A 74 14.054 11.036 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 74 13.010 8.556 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.596 11.364 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.939 10.715 -4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.953 9.414 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.477 10.628 -3.286 1.00 0.00 H new ATOM 1127 N GLN A 75 15.668 9.827 -3.580 1.00 0.00 N ATOM 1128 CA GLN A 75 16.736 9.529 -4.513 1.00 0.00 C ATOM 1129 C GLN A 75 17.986 9.112 -3.751 1.00 0.00 C ATOM 1130 O GLN A 75 18.233 9.594 -2.648 1.00 0.00 O ATOM 1131 CB GLN A 75 17.014 10.757 -5.375 1.00 0.00 C ATOM 1132 CG GLN A 75 16.644 12.018 -4.599 1.00 0.00 C ATOM 1133 CD GLN A 75 17.191 13.260 -5.289 1.00 0.00 C ATOM 1134 OE1 GLN A 75 18.324 13.259 -5.766 1.00 0.00 O ATOM 1135 NE2 GLN A 75 16.384 14.321 -5.340 1.00 0.00 N ATOM 0 H GLN A 75 15.788 10.701 -3.069 1.00 0.00 H new ATOM 0 HA GLN A 75 16.438 8.705 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 75 18.067 10.786 -5.656 1.00 0.00 H new ATOM 0 HB3 GLN A 75 16.438 10.704 -6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 75 15.560 12.092 -4.513 1.00 0.00 H new ATOM 0 HG3 GLN A 75 17.040 11.956 -3.586 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.452 14.273 -4.929 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.699 15.180 -5.790 1.00 0.00 H new ATOM 1144 N CYS A 76 18.775 8.213 -4.343 1.00 0.00 N ATOM 1145 CA CYS A 76 19.993 7.735 -3.721 1.00 0.00 C ATOM 1146 C CYS A 76 21.162 8.616 -4.137 1.00 0.00 C ATOM 1147 O CYS A 76 21.384 8.837 -5.326 1.00 0.00 O ATOM 1148 CB CYS A 76 20.238 6.285 -4.128 1.00 0.00 C ATOM 1149 SG CYS A 76 21.007 5.277 -2.836 1.00 0.00 S ATOM 0 H CYS A 76 18.583 7.805 -5.258 1.00 0.00 H new ATOM 0 HA CYS A 76 19.895 7.781 -2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.288 5.832 -4.410 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.874 6.269 -5.013 1.00 0.00 H new ATOM 1154 N VAL A 77 21.912 9.120 -3.153 1.00 0.00 N ATOM 1155 CA VAL A 77 23.052 9.974 -3.420 1.00 0.00 C ATOM 1156 C VAL A 77 24.340 9.207 -3.157 1.00 0.00 C ATOM 1157 O VAL A 77 24.520 8.639 -2.082 1.00 0.00 O ATOM 1158 CB VAL A 77 22.973 11.217 -2.539 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.590 10.915 -1.176 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.738 12.359 -3.202 1.00 0.00 C ATOM 0 H VAL A 77 21.742 8.945 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 77 23.043 10.285 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 77 21.930 11.505 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.534 11.803 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.044 10.099 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.633 10.627 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.682 13.248 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.781 12.071 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.298 12.575 -4.175 1.00 0.00 H new ATOM 1170 N MET A 78 25.240 9.193 -4.144 1.00 0.00 N ATOM 1171 CA MET A 78 26.504 8.496 -4.014 1.00 0.00 C ATOM 1172 C MET A 78 27.562 9.441 -3.464 1.00 0.00 C ATOM 1173 O MET A 78 27.866 10.463 -4.076 1.00 0.00 O ATOM 1174 CB MET A 78 26.924 7.947 -5.374 1.00 0.00 C ATOM 1175 CG MET A 78 27.110 6.436 -5.278 1.00 0.00 C ATOM 1176 SD MET A 78 25.628 5.486 -5.697 1.00 0.00 S ATOM 1177 CE MET A 78 24.381 6.779 -5.476 1.00 0.00 C ATOM 0 H MET A 78 25.108 9.660 -5.041 1.00 0.00 H new ATOM 0 HA MET A 78 26.394 7.664 -3.319 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.168 8.184 -6.123 1.00 0.00 H new ATOM 0 HB3 MET A 78 27.852 8.418 -5.697 1.00 0.00 H new ATOM 0 HG2 MET A 78 27.921 6.137 -5.942 1.00 0.00 H new ATOM 0 HG3 MET A 78 27.418 6.182 -4.264 1.00 0.00 H new ATOM 0 HE1 MET A 78 23.386 6.342 -5.553 1.00 0.00 H new ATOM 0 HE2 MET A 78 24.501 7.236 -4.494 1.00 0.00 H new ATOM 0 HE3 MET A 78 24.504 7.539 -6.248 1.00 0.00 H new ATOM 1187 N LYS A 79 28.126 9.097 -2.304 1.00 0.00 N ATOM 1188 CA LYS A 79 29.147 9.914 -1.679 1.00 0.00 C ATOM 1189 C LYS A 79 30.528 9.407 -2.069 1.00 0.00 C ATOM 1190 O LYS A 79 30.702 8.224 -2.353 1.00 0.00 O ATOM 1191 CB LYS A 79 28.967 9.880 -0.164 1.00 0.00 C ATOM 1192 CG LYS A 79 29.302 11.249 0.419 1.00 0.00 C ATOM 1193 CD LYS A 79 28.025 11.913 0.927 1.00 0.00 C ATOM 1194 CE LYS A 79 27.551 11.203 2.191 1.00 0.00 C ATOM 1195 NZ LYS A 79 28.326 11.637 3.364 1.00 0.00 N ATOM 0 H LYS A 79 27.886 8.253 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 79 29.052 10.944 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.941 9.608 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.614 9.119 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 79 30.018 11.144 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 79 29.772 11.874 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.209 12.967 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 79 27.251 11.870 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 79 26.493 11.410 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 79 27.649 10.125 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 27.919 11.217 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 29.313 11.327 3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 28.295 12.674 3.437 1.00 0.00 H new ATOM 1209 N GLU A 80 31.513 10.309 -2.084 1.00 0.00 N ATOM 1210 CA GLU A 80 32.870 9.948 -2.438 1.00 0.00 C ATOM 1211 C GLU A 80 33.622 9.475 -1.202 1.00 0.00 C ATOM 1212 O GLU A 80 33.862 10.253 -0.282 1.00 0.00 O ATOM 1213 CB GLU A 80 33.567 11.150 -3.068 1.00 0.00 C ATOM 1214 CG GLU A 80 33.695 12.264 -2.032 1.00 0.00 C ATOM 1215 CD GLU A 80 33.555 13.631 -2.684 1.00 0.00 C ATOM 1216 OE1 GLU A 80 32.470 13.881 -3.251 1.00 0.00 O ATOM 1217 OE2 GLU A 80 34.537 14.402 -2.603 1.00 0.00 O ATOM 0 H GLU A 80 31.386 11.294 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 80 32.854 9.132 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.553 10.862 -3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 80 33.000 11.503 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.930 12.142 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.661 12.192 -1.533 1.00 0.00 H new ATOM 1224 N LYS A 81 33.993 8.193 -1.183 1.00 0.00 N ATOM 1225 CA LYS A 81 34.715 7.623 -0.063 1.00 0.00 C ATOM 1226 C LYS A 81 36.159 7.352 -0.460 1.00 0.00 C ATOM 1227 O LYS A 81 36.474 7.258 -1.645 1.00 0.00 O ATOM 1228 CB LYS A 81 34.027 6.337 0.384 1.00 0.00 C ATOM 1229 CG LYS A 81 32.794 6.681 1.213 1.00 0.00 C ATOM 1230 CD LYS A 81 31.613 6.948 0.285 1.00 0.00 C ATOM 1231 CE LYS A 81 30.347 6.346 0.887 1.00 0.00 C ATOM 1232 NZ LYS A 81 29.151 6.790 0.153 1.00 0.00 N ATOM 0 H LYS A 81 33.800 7.534 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 81 34.715 8.328 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 81 33.740 5.745 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.715 5.729 0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.559 5.861 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.991 7.558 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 81 31.485 8.021 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 81 31.803 6.515 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.410 5.258 0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.264 6.637 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.590 7.426 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 29.440 7.295 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.576 5.963 -0.107 1.00 0.00 H new ATOM 1246 N LYS A 82 37.040 7.228 0.535 1.00 0.00 N ATOM 1247 CA LYS A 82 38.443 6.968 0.285 1.00 0.00 C ATOM 1248 C LYS A 82 38.591 5.791 -0.668 1.00 0.00 C ATOM 1249 O LYS A 82 38.414 4.641 -0.271 1.00 0.00 O ATOM 1250 CB LYS A 82 39.151 6.685 1.607 1.00 0.00 C ATOM 1251 CG LYS A 82 40.569 6.194 1.330 1.00 0.00 C ATOM 1252 CD LYS A 82 40.854 4.956 2.173 1.00 0.00 C ATOM 1253 CE LYS A 82 39.817 3.879 1.864 1.00 0.00 C ATOM 1254 NZ LYS A 82 40.164 3.151 0.633 1.00 0.00 N ATOM 0 H LYS A 82 36.796 7.305 1.522 1.00 0.00 H new ATOM 0 HA LYS A 82 38.900 7.843 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 82 39.180 7.588 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 82 38.599 5.935 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 82 40.684 5.960 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 82 41.289 6.979 1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 82 41.856 4.582 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 82 40.825 5.210 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 82 39.753 3.180 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 82 38.834 4.336 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 40.141 2.128 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 39.478 3.384 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 41.118 3.426 0.324 1.00 0.00 H new ATOM 1268 N ASP A 83 38.917 6.081 -1.929 1.00 0.00 N ATOM 1269 CA ASP A 83 39.085 5.048 -2.933 1.00 0.00 C ATOM 1270 C ASP A 83 40.484 5.129 -3.525 1.00 0.00 C ATOM 1271 O ASP A 83 40.796 6.066 -4.259 1.00 0.00 O ATOM 1272 CB ASP A 83 38.026 5.217 -4.019 1.00 0.00 C ATOM 1273 CG ASP A 83 36.633 5.302 -3.411 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.340 4.451 -2.544 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.888 6.216 -3.826 1.00 0.00 O ATOM 0 H ASP A 83 39.069 7.029 -2.273 1.00 0.00 H new ATOM 0 HA ASP A 83 38.962 4.066 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.231 6.119 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.074 4.378 -4.713 1.00 0.00 H new ATOM 1280 N ASP A 84 41.328 4.147 -3.205 1.00 0.00 N ATOM 1281 CA ASP A 84 42.688 4.114 -3.707 1.00 0.00 C ATOM 1282 C ASP A 84 42.746 3.286 -4.982 1.00 0.00 C ATOM 1283 O ASP A 84 42.292 2.145 -5.007 1.00 0.00 O ATOM 1284 CB ASP A 84 43.608 3.529 -2.639 1.00 0.00 C ATOM 1285 CG ASP A 84 44.561 4.587 -2.101 1.00 0.00 C ATOM 1286 OD1 ASP A 84 44.086 5.425 -1.305 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.745 4.538 -2.497 1.00 0.00 O ATOM 0 H ASP A 84 41.085 3.364 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 84 43.020 5.126 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.011 3.123 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.178 2.701 -3.059 1.00 0.00 H new ATOM 1292 N GLY A 85 43.309 3.865 -6.046 1.00 0.00 N ATOM 1293 CA GLY A 85 43.422 3.177 -7.317 1.00 0.00 C ATOM 1294 C GLY A 85 42.275 3.575 -8.236 1.00 0.00 C ATOM 1295 O GLY A 85 42.292 3.269 -9.426 1.00 0.00 O ATOM 0 H GLY A 85 43.692 4.810 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.375 3.421 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.412 2.099 -7.157 1.00 0.00 H new ATOM 1299 N GLY A 86 41.276 4.263 -7.679 1.00 0.00 N ATOM 1300 CA GLY A 86 40.129 4.697 -8.451 1.00 0.00 C ATOM 1301 C GLY A 86 39.102 5.359 -7.543 1.00 0.00 C ATOM 1302 O GLY A 86 39.374 5.612 -6.371 1.00 0.00 O ATOM 0 H GLY A 86 41.246 4.528 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.446 5.397 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.679 3.844 -8.959 1.00 0.00 H new ATOM 1306 N LEU A 87 37.916 5.638 -8.088 1.00 0.00 N ATOM 1307 CA LEU A 87 36.854 6.267 -7.329 1.00 0.00 C ATOM 1308 C LEU A 87 35.705 5.287 -7.136 1.00 0.00 C ATOM 1309 O LEU A 87 35.300 4.608 -8.078 1.00 0.00 O ATOM 1310 CB LEU A 87 36.378 7.519 -8.061 1.00 0.00 C ATOM 1311 CG LEU A 87 37.378 8.649 -7.837 1.00 0.00 C ATOM 1312 CD1 LEU A 87 37.658 8.793 -6.345 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.678 8.332 -8.571 1.00 0.00 C ATOM 0 H LEU A 87 37.675 5.434 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 87 37.228 6.556 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.277 7.314 -9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.393 7.813 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 87 36.963 9.581 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 87 38.373 9.600 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 87 36.730 9.021 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 87 38.072 7.861 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 87 39.392 9.139 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 87 39.093 7.399 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.478 8.231 -9.638 1.00 0.00 H new ATOM 1325 N MET A 88 35.181 5.214 -5.911 1.00 0.00 N ATOM 1326 CA MET A 88 34.085 4.317 -5.603 1.00 0.00 C ATOM 1327 C MET A 88 33.044 5.041 -4.762 1.00 0.00 C ATOM 1328 O MET A 88 33.330 5.470 -3.646 1.00 0.00 O ATOM 1329 CB MET A 88 34.622 3.095 -4.863 1.00 0.00 C ATOM 1330 CG MET A 88 36.036 2.786 -5.349 1.00 0.00 C ATOM 1331 SD MET A 88 36.997 1.762 -4.209 1.00 0.00 S ATOM 1332 CE MET A 88 38.518 1.599 -5.177 1.00 0.00 C ATOM 0 H MET A 88 35.505 5.770 -5.120 1.00 0.00 H new ATOM 0 HA MET A 88 33.610 3.988 -6.527 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.628 3.281 -3.789 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.971 2.238 -5.035 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.976 2.281 -6.313 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.566 3.724 -5.514 1.00 0.00 H new ATOM 0 HE1 MET A 88 38.938 0.604 -5.030 1.00 0.00 H new ATOM 0 HE2 MET A 88 38.294 1.747 -6.234 1.00 0.00 H new ATOM 0 HE3 MET A 88 39.239 2.348 -4.851 1.00 0.00 H new ATOM 1342 N PHE A 89 31.830 5.176 -5.302 1.00 0.00 N ATOM 1343 CA PHE A 89 30.753 5.844 -4.600 1.00 0.00 C ATOM 1344 C PHE A 89 29.671 4.838 -4.235 1.00 0.00 C ATOM 1345 O PHE A 89 29.239 4.054 -5.076 1.00 0.00 O ATOM 1346 CB PHE A 89 30.186 6.955 -5.481 1.00 0.00 C ATOM 1347 CG PHE A 89 31.116 8.134 -5.636 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.419 7.941 -6.112 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.677 9.420 -5.304 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.281 9.034 -6.255 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.540 10.515 -5.446 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.842 10.320 -5.922 1.00 0.00 C ATOM 0 H PHE A 89 31.577 4.827 -6.227 1.00 0.00 H new ATOM 0 HA PHE A 89 31.133 6.286 -3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.961 6.547 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.243 7.299 -5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.759 6.948 -6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.672 9.569 -4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.286 8.885 -6.623 1.00 0.00 H new ATOM 0 HE2 PHE A 89 31.201 11.508 -5.189 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.508 11.163 -6.032 1.00 0.00 H new ATOM 1362 N MET A 90 29.231 4.864 -2.975 1.00 0.00 N ATOM 1363 CA MET A 90 28.205 3.954 -2.506 1.00 0.00 C ATOM 1364 C MET A 90 27.043 4.743 -1.920 1.00 0.00 C ATOM 1365 O MET A 90 27.248 5.756 -1.253 1.00 0.00 O ATOM 1366 CB MET A 90 28.798 3.012 -1.464 1.00 0.00 C ATOM 1367 CG MET A 90 29.586 3.820 -0.436 1.00 0.00 C ATOM 1368 SD MET A 90 29.141 3.459 1.280 1.00 0.00 S ATOM 1369 CE MET A 90 28.849 1.678 1.135 1.00 0.00 C ATOM 0 H MET A 90 29.576 5.511 -2.266 1.00 0.00 H new ATOM 0 HA MET A 90 27.831 3.362 -3.341 1.00 0.00 H new ATOM 0 HB2 MET A 90 28.004 2.452 -0.971 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.449 2.283 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 90 30.650 3.625 -0.574 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.429 4.882 -0.626 1.00 0.00 H new ATOM 0 HE1 MET A 90 28.860 1.226 2.127 1.00 0.00 H new ATOM 0 HE2 MET A 90 27.879 1.505 0.668 1.00 0.00 H new ATOM 0 HE3 MET A 90 29.632 1.230 0.523 1.00 0.00 H new ATOM 1379 N CYS A 91 25.817 4.276 -2.169 1.00 0.00 N ATOM 1380 CA CYS A 91 24.630 4.935 -1.667 1.00 0.00 C ATOM 1381 C CYS A 91 23.597 3.894 -1.258 1.00 0.00 C ATOM 1382 O CYS A 91 23.725 2.722 -1.602 1.00 0.00 O ATOM 1383 CB CYS A 91 24.069 5.861 -2.743 1.00 0.00 C ATOM 1384 SG CYS A 91 22.451 6.567 -2.337 1.00 0.00 S ATOM 0 H CYS A 91 25.630 3.438 -2.720 1.00 0.00 H new ATOM 0 HA CYS A 91 24.883 5.531 -0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 91 24.776 6.673 -2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 91 23.988 5.307 -3.678 1.00 0.00 H new ATOM 1389 N SER A 92 22.570 4.327 -0.523 1.00 0.00 N ATOM 1390 CA SER A 92 21.522 3.432 -0.075 1.00 0.00 C ATOM 1391 C SER A 92 20.183 4.156 -0.088 1.00 0.00 C ATOM 1392 O SER A 92 20.138 5.382 -0.159 1.00 0.00 O ATOM 1393 CB SER A 92 21.851 2.929 1.329 1.00 0.00 C ATOM 1394 OG SER A 92 22.106 4.028 2.174 1.00 0.00 O ATOM 0 H SER A 92 22.449 5.296 -0.229 1.00 0.00 H new ATOM 0 HA SER A 92 21.456 2.577 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.021 2.341 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.720 2.272 1.297 1.00 0.00 H new ATOM 0 HG SER A 92 21.266 4.332 2.577 1.00 0.00 H new ATOM 1400 N CYS A 93 19.091 3.393 -0.019 1.00 0.00 N ATOM 1401 CA CYS A 93 17.758 3.961 -0.023 1.00 0.00 C ATOM 1402 C CYS A 93 16.724 2.849 -0.140 1.00 0.00 C ATOM 1403 O CYS A 93 16.831 1.989 -1.010 1.00 0.00 O ATOM 1404 CB CYS A 93 17.628 4.944 -1.181 1.00 0.00 C ATOM 1405 SG CYS A 93 18.273 4.319 -2.752 1.00 0.00 S ATOM 0 H CYS A 93 19.113 2.375 0.040 1.00 0.00 H new ATOM 0 HA CYS A 93 17.584 4.496 0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.577 5.202 -1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.154 5.864 -0.924 1.00 0.00 H new ATOM 1410 N THR A 94 15.721 2.869 0.741 1.00 0.00 N ATOM 1411 CA THR A 94 14.677 1.865 0.728 1.00 0.00 C ATOM 1412 C THR A 94 13.710 2.135 -0.416 1.00 0.00 C ATOM 1413 O THR A 94 12.775 1.370 -0.640 1.00 0.00 O ATOM 1414 CB THR A 94 13.945 1.876 2.068 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.714 1.202 1.936 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.693 3.318 2.498 1.00 0.00 C ATOM 0 H THR A 94 15.618 3.575 1.470 1.00 0.00 H new ATOM 0 HA THR A 94 15.119 0.880 0.577 1.00 0.00 H new ATOM 0 HB THR A 94 14.555 1.375 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.244 1.208 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.170 3.326 3.455 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.645 3.839 2.600 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.083 3.820 1.747 1.00 0.00 H new ATOM 1424 N GLY A 95 13.939 3.232 -1.143 1.00 0.00 N ATOM 1425 CA GLY A 95 13.089 3.596 -2.258 1.00 0.00 C ATOM 1426 C GLY A 95 13.096 2.495 -3.308 1.00 0.00 C ATOM 1427 O GLY A 95 13.973 1.633 -3.306 1.00 0.00 O ATOM 0 H GLY A 95 14.709 3.878 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.071 3.767 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.436 4.531 -2.699 1.00 0.00 H new ATOM 1431 N GLU A 96 12.113 2.525 -4.211 1.00 0.00 N ATOM 1432 CA GLU A 96 12.012 1.533 -5.262 1.00 0.00 C ATOM 1433 C GLU A 96 13.184 1.671 -6.223 1.00 0.00 C ATOM 1434 O GLU A 96 13.358 2.714 -6.850 1.00 0.00 O ATOM 1435 CB GLU A 96 10.686 1.705 -5.998 1.00 0.00 C ATOM 1436 CG GLU A 96 10.083 0.335 -6.289 1.00 0.00 C ATOM 1437 CD GLU A 96 9.876 0.139 -7.784 1.00 0.00 C ATOM 1438 OE1 GLU A 96 9.109 0.940 -8.360 1.00 0.00 O ATOM 1439 OE2 GLU A 96 10.489 -0.808 -8.323 1.00 0.00 O ATOM 0 H GLU A 96 11.378 3.232 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 96 12.045 0.535 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.997 2.296 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.843 2.250 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.739 -0.445 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.130 0.235 -5.770 1.00 0.00 H new ATOM 1446 N GLU A 97 13.991 0.614 -6.336 1.00 0.00 N ATOM 1447 CA GLU A 97 15.140 0.624 -7.220 1.00 0.00 C ATOM 1448 C GLU A 97 15.875 1.951 -7.102 1.00 0.00 C ATOM 1449 O GLU A 97 16.629 2.329 -7.996 1.00 0.00 O ATOM 1450 CB GLU A 97 14.677 0.388 -8.655 1.00 0.00 C ATOM 1451 CG GLU A 97 14.221 -1.059 -8.811 1.00 0.00 C ATOM 1452 CD GLU A 97 13.494 -1.261 -10.134 1.00 0.00 C ATOM 1453 OE1 GLU A 97 12.396 -0.680 -10.270 1.00 0.00 O ATOM 1454 OE2 GLU A 97 14.051 -1.990 -10.982 1.00 0.00 O ATOM 0 H GLU A 97 13.863 -0.258 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 97 15.827 -0.173 -6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.860 1.066 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.489 0.602 -9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.083 -1.724 -8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.563 -1.328 -7.985 1.00 0.00 H new ATOM 1461 N CYS A 98 15.655 2.657 -5.990 1.00 0.00 N ATOM 1462 CA CYS A 98 16.295 3.937 -5.758 1.00 0.00 C ATOM 1463 C CYS A 98 17.806 3.783 -5.865 1.00 0.00 C ATOM 1464 O CYS A 98 18.517 4.758 -6.098 1.00 0.00 O ATOM 1465 CB CYS A 98 15.901 4.459 -4.379 1.00 0.00 C ATOM 1466 SG CYS A 98 16.965 5.788 -3.764 1.00 0.00 S ATOM 0 H CYS A 98 15.035 2.355 -5.239 1.00 0.00 H new ATOM 0 HA CYS A 98 15.968 4.655 -6.510 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.873 4.819 -4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 98 15.922 3.632 -3.669 1.00 0.00 H new ATOM 1471 N ASN A 99 18.296 2.553 -5.693 1.00 0.00 N ATOM 1472 CA ASN A 99 19.716 2.280 -5.772 1.00 0.00 C ATOM 1473 C ASN A 99 20.194 2.424 -7.210 1.00 0.00 C ATOM 1474 O ASN A 99 21.281 2.942 -7.458 1.00 0.00 O ATOM 1475 CB ASN A 99 19.992 0.872 -5.250 1.00 0.00 C ATOM 1476 CG ASN A 99 18.942 -0.108 -5.751 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.073 0.260 -6.539 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.024 -1.359 -5.294 1.00 0.00 N ATOM 0 H ASN A 99 17.720 1.734 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 99 20.261 2.997 -5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 99 20.981 0.548 -5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.998 0.879 -4.160 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.347 -2.058 -5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 99 19.764 -1.616 -4.641 1.00 0.00 H new ATOM 1485 N ASP A 100 19.376 1.965 -8.159 1.00 0.00 N ATOM 1486 CA ASP A 100 19.716 2.044 -9.566 1.00 0.00 C ATOM 1487 C ASP A 100 20.098 3.473 -9.923 1.00 0.00 C ATOM 1488 O ASP A 100 20.943 3.694 -10.788 1.00 0.00 O ATOM 1489 CB ASP A 100 18.528 1.576 -10.402 1.00 0.00 C ATOM 1490 CG ASP A 100 17.812 2.757 -11.039 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.406 3.348 -11.967 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.685 3.049 -10.585 1.00 0.00 O ATOM 0 H ASP A 100 18.471 1.534 -7.969 1.00 0.00 H new ATOM 0 HA ASP A 100 20.568 1.398 -9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.872 0.892 -11.178 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.832 1.020 -9.773 1.00 0.00 H new ATOM 1497 N VAL A 101 19.472 4.446 -9.256 1.00 0.00 N ATOM 1498 CA VAL A 101 19.748 5.846 -9.507 1.00 0.00 C ATOM 1499 C VAL A 101 20.851 6.328 -8.575 1.00 0.00 C ATOM 1500 O VAL A 101 20.603 6.593 -7.401 1.00 0.00 O ATOM 1501 CB VAL A 101 18.474 6.659 -9.302 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.465 7.842 -10.266 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.259 5.776 -9.570 1.00 0.00 C ATOM 0 H VAL A 101 18.769 4.279 -8.536 1.00 0.00 H new ATOM 0 HA VAL A 101 20.085 5.976 -10.535 1.00 0.00 H new ATOM 0 HB VAL A 101 18.438 7.026 -8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.555 8.423 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.333 8.473 -10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.501 7.476 -11.292 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.348 6.356 -9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.295 5.409 -10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.265 4.930 -8.882 1.00 0.00 H new ATOM 1513 N LEU A 102 22.073 6.440 -9.101 1.00 0.00 N ATOM 1514 CA LEU A 102 23.206 6.889 -8.316 1.00 0.00 C ATOM 1515 C LEU A 102 23.466 8.365 -8.582 1.00 0.00 C ATOM 1516 O LEU A 102 23.890 8.737 -9.673 1.00 0.00 O ATOM 1517 CB LEU A 102 24.432 6.052 -8.670 1.00 0.00 C ATOM 1518 CG LEU A 102 24.246 5.438 -10.054 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.611 5.113 -10.656 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.425 4.156 -9.937 1.00 0.00 C ATOM 0 H LEU A 102 22.295 6.223 -10.073 1.00 0.00 H new ATOM 0 HA LEU A 102 22.990 6.764 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.327 6.674 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.576 5.266 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 102 23.724 6.147 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.477 4.674 -11.645 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.198 6.027 -10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.133 4.405 -10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.292 3.717 -10.926 1.00 0.00 H new ATOM 0 HD22 LEU A 102 23.946 3.448 -9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.450 4.386 -9.508 1.00 0.00 H new ATOM 1532 N ILE A 103 23.209 9.206 -7.578 1.00 0.00 N ATOM 1533 CA ILE A 103 23.415 10.635 -7.704 1.00 0.00 C ATOM 1534 C ILE A 103 24.823 10.994 -7.246 1.00 0.00 C ATOM 1535 O ILE A 103 25.252 10.580 -6.172 1.00 0.00 O ATOM 1536 CB ILE A 103 22.372 11.375 -6.872 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.091 11.537 -7.688 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.907 12.752 -6.490 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.965 10.748 -7.029 1.00 0.00 C ATOM 0 H ILE A 103 22.856 8.912 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 103 23.305 10.932 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 103 22.159 10.804 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.820 12.591 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.249 11.184 -8.707 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.161 13.280 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.821 12.638 -5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 103 23.121 13.323 -7.394 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.051 10.863 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.237 9.693 -6.986 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.801 11.122 -6.018 1.00 0.00 H new ATOM 1551 N PHE A 104 25.541 11.765 -8.065 1.00 0.00 N ATOM 1552 CA PHE A 104 26.892 12.173 -7.740 1.00 0.00 C ATOM 1553 C PHE A 104 26.958 13.689 -7.615 1.00 0.00 C ATOM 1554 O PHE A 104 26.743 14.404 -8.589 1.00 0.00 O ATOM 1555 CB PHE A 104 27.846 11.677 -8.823 1.00 0.00 C ATOM 1556 CG PHE A 104 27.790 10.184 -9.039 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.659 9.604 -9.626 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.869 9.379 -8.654 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.607 8.220 -9.828 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.817 7.995 -8.856 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.686 7.415 -9.443 1.00 0.00 C ATOM 0 H PHE A 104 25.200 12.116 -8.960 1.00 0.00 H new ATOM 0 HA PHE A 104 27.188 11.737 -6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.611 12.181 -9.761 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.864 11.959 -8.556 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.827 10.225 -9.923 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.742 9.826 -8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.734 7.773 -10.281 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.649 7.374 -8.559 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.646 6.347 -9.599 1.00 0.00 H new ATOM 1571 N SER A 105 27.258 14.177 -6.408 1.00 0.00 N ATOM 1572 CA SER A 105 27.352 15.601 -6.163 1.00 0.00 C ATOM 1573 C SER A 105 28.607 15.905 -5.356 1.00 0.00 C ATOM 1574 O SER A 105 28.797 15.361 -4.270 1.00 0.00 O ATOM 1575 CB SER A 105 26.104 16.072 -5.421 1.00 0.00 C ATOM 1576 OG SER A 105 26.252 15.813 -4.043 1.00 0.00 O ATOM 0 H SER A 105 27.439 13.597 -5.589 1.00 0.00 H new ATOM 0 HA SER A 105 27.417 16.133 -7.112 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.949 17.138 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.223 15.558 -5.806 1.00 0.00 H new ATOM 0 HG SER A 105 27.040 15.248 -3.899 1.00 0.00 H new ATOM 1582 N ALA A 106 29.463 16.778 -5.889 1.00 0.00 N ATOM 1583 CA ALA A 106 30.693 17.150 -5.219 1.00 0.00 C ATOM 1584 C ALA A 106 30.396 18.164 -4.123 1.00 0.00 C ATOM 1585 O ALA A 106 30.356 17.815 -2.945 1.00 0.00 O ATOM 1586 CB ALA A 106 31.673 17.726 -6.237 1.00 0.00 C ATOM 0 H ALA A 106 29.319 17.238 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 106 31.143 16.269 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.598 18.006 -5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.887 16.977 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.235 18.607 -6.706 1.00 0.00 H new ATOM 1592 N ILE A 107 30.189 19.423 -4.513 1.00 0.00 N ATOM 1593 CA ILE A 107 29.896 20.481 -3.566 1.00 0.00 C ATOM 1594 C ILE A 107 30.787 20.336 -2.341 1.00 0.00 C ATOM 1595 O ILE A 107 31.497 21.269 -1.973 1.00 0.00 O ATOM 1596 CB ILE A 107 28.422 20.419 -3.176 1.00 0.00 C ATOM 1597 CG1 ILE A 107 28.181 19.200 -2.291 1.00 0.00 C ATOM 1598 CG2 ILE A 107 27.567 20.314 -4.434 1.00 0.00 C ATOM 1599 CD1 ILE A 107 26.824 19.331 -1.604 1.00 0.00 C ATOM 1600 OXT ILE A 107 30.756 19.239 -1.743 1.00 0.00 O ATOM 0 H ILE A 107 30.221 19.728 -5.486 1.00 0.00 H new ATOM 0 HA ILE A 107 30.096 21.451 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 107 28.152 21.323 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 107 28.211 18.290 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 107 28.972 19.116 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 107 26.514 20.270 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 107 27.739 21.186 -5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 107 27.836 19.411 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 107 26.651 18.460 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 107 26.812 20.233 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 107 26.039 19.394 -2.358 1.00 0.00 H new TER 1612 ILE A 107