USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 762 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 78 LYS NZ :NH3+ 170:sc= -1.14! (180deg=-1.12!) USER MOD Set 1.2: A 86 THR OG1 : rot -90:sc= -1.02 USER MOD Set 2.1: A 19 ASN :FLIP amide:sc= -0.0855 F(o=-3.8,f=0.071) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 166:sc= 0.156 (180deg=0) USER MOD Set 3.1: A 35 SER OG : rot -146:sc= 1.47 USER MOD Set 3.2: A 38 ASN :FLIP amide:sc= -6.75! C(o=-6.9!,f=-5.3!) USER MOD Set 4.1: A 33 ASN : amide:sc= -0.318 K(o=-0.13,f=-4.4!) USER MOD Set 4.2: A 36 LYS NZ :NH3+ -161:sc= 0.185 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 21 SER OG : rot -36:sc= -1.5 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -1.44 F(o=-2.7,f=-1.4) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -2.16 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.203 F(o=-0.85,f=-0.2) USER MOD Single : A 56 SER OG : rot -160:sc= -0.66 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.89 F(o=-2.6,f=-1.9) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.789 F(o=-1.3,f=-0.79) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.43 F(o=-5.8!,f=-1.4) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.13 K(o=-2.1,f=-5.6!) USER MOD Single : A 81 GLN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 84 MET CE :methyl -122:sc= -5.67! (180deg=-12.3!) USER MOD Single : A 90 SER OG : rot 65:sc= 0.655 USER MOD Single : A 91 MET CE :methyl 166:sc= -4.73! (180deg=-5.16!) USER MOD Single : A 92 SER OG : rot 158:sc= -2.56 USER MOD Single : A 93 THR OG1 : rot -63:sc= 0.145 USER MOD Single : A 96 ASN :FLIP amide:sc= -4.52! C(o=-6.8!,f=-4.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -150:sc= -3.25 (180deg=-7.03!) USER MOD Single : A 102 GLN : amide:sc= -2.78 K(o=-2.8,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 9 -4.069 -8.171 -11.269 1.00 0.00 N ATOM 23 CA ARG A 9 -2.875 -7.572 -10.683 1.00 0.00 C ATOM 24 C ARG A 9 -2.205 -6.631 -11.679 1.00 0.00 C ATOM 25 O ARG A 9 -1.802 -7.046 -12.765 1.00 0.00 O ATOM 26 CB ARG A 9 -1.889 -8.658 -10.247 1.00 0.00 C ATOM 27 CG ARG A 9 -1.827 -8.852 -8.740 1.00 0.00 C ATOM 28 CD ARG A 9 -0.464 -9.364 -8.302 1.00 0.00 C ATOM 29 NE ARG A 9 0.518 -8.288 -8.198 1.00 0.00 N ATOM 30 CZ ARG A 9 1.665 -8.395 -7.530 1.00 0.00 C ATOM 31 NH1 ARG A 9 1.978 -9.525 -6.909 1.00 0.00 N ATOM 32 NH2 ARG A 9 2.504 -7.368 -7.486 1.00 0.00 N ATOM 0 HA ARG A 9 -3.177 -6.999 -9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.169 -9.601 -10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.895 -8.403 -10.614 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.040 -7.907 -8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.599 -9.557 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.557 -9.864 -7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.111 -10.109 -9.015 1.00 0.00 H new ATOM 0 HE ARG A 9 0.314 -7.404 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.338 -10.319 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.858 -9.600 -6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.270 -6.498 -7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.383 -7.449 -6.975 1.00 0.00 H new ATOM 46 N GLU A 10 -2.089 -5.360 -11.306 1.00 0.00 N ATOM 47 CA GLU A 10 -1.470 -4.364 -12.172 1.00 0.00 C ATOM 48 C GLU A 10 -0.655 -3.363 -11.360 1.00 0.00 C ATOM 49 O GLU A 10 -1.058 -2.957 -10.270 1.00 0.00 O ATOM 50 CB GLU A 10 -2.539 -3.629 -12.984 1.00 0.00 C ATOM 51 CG GLU A 10 -3.753 -3.221 -12.165 1.00 0.00 C ATOM 52 CD GLU A 10 -4.666 -2.268 -12.912 1.00 0.00 C ATOM 53 OE1 GLU A 10 -4.173 -1.554 -13.810 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.875 -2.238 -12.599 1.00 0.00 O ATOM 0 H GLU A 10 -2.415 -4.996 -10.411 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.796 -4.883 -12.854 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.096 -2.738 -13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.863 -4.269 -13.805 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.315 -4.112 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.421 -2.750 -11.240 1.00 0.00 H new ATOM 61 N PHE A 11 0.494 -2.968 -11.900 1.00 0.00 N ATOM 62 CA PHE A 11 1.367 -2.012 -11.230 1.00 0.00 C ATOM 63 C PHE A 11 1.010 -0.582 -11.622 1.00 0.00 C ATOM 64 O PHE A 11 0.774 -0.291 -12.795 1.00 0.00 O ATOM 65 CB PHE A 11 2.831 -2.295 -11.575 1.00 0.00 C ATOM 66 CG PHE A 11 3.355 -3.570 -10.976 1.00 0.00 C ATOM 67 CD1 PHE A 11 3.012 -4.798 -11.517 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.191 -3.538 -9.870 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.492 -5.971 -10.966 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.673 -4.708 -9.316 1.00 0.00 C ATOM 71 CZ PHE A 11 4.323 -5.926 -9.864 1.00 0.00 C ATOM 0 H PHE A 11 0.842 -3.296 -12.801 1.00 0.00 H new ATOM 0 HA PHE A 11 1.226 -2.123 -10.155 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.938 -2.342 -12.659 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.444 -1.462 -11.230 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.362 -4.839 -12.379 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.468 -2.588 -9.437 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.217 -6.922 -11.397 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.323 -4.670 -8.455 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.698 -6.842 -9.432 1.00 0.00 H new ATOM 81 N LEU A 12 0.970 0.307 -10.634 1.00 0.00 N ATOM 82 CA LEU A 12 0.638 1.707 -10.879 1.00 0.00 C ATOM 83 C LEU A 12 1.540 2.632 -10.069 1.00 0.00 C ATOM 84 O LEU A 12 1.993 2.274 -8.982 1.00 0.00 O ATOM 85 CB LEU A 12 -0.826 1.988 -10.523 1.00 0.00 C ATOM 86 CG LEU A 12 -1.800 0.827 -10.742 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.830 0.779 -9.623 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.486 0.957 -12.093 1.00 0.00 C ATOM 0 H LEU A 12 1.163 0.084 -9.658 1.00 0.00 H new ATOM 0 HA LEU A 12 0.793 1.900 -11.940 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.875 2.286 -9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.167 2.839 -11.112 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.235 -0.105 -10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.515 -0.052 -9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.323 0.641 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.391 1.713 -9.605 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.175 0.124 -12.233 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.039 1.896 -12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.736 0.945 -12.884 1.00 0.00 H new ATOM 100 N THR A 13 1.785 3.827 -10.597 1.00 0.00 N ATOM 101 CA THR A 13 2.620 4.808 -9.914 1.00 0.00 C ATOM 102 C THR A 13 1.752 5.866 -9.243 1.00 0.00 C ATOM 103 O THR A 13 0.815 6.385 -9.850 1.00 0.00 O ATOM 104 CB THR A 13 3.586 5.471 -10.894 1.00 0.00 C ATOM 105 OG1 THR A 13 4.407 4.502 -11.522 1.00 0.00 O ATOM 106 CG2 THR A 13 4.492 6.486 -10.235 1.00 0.00 C ATOM 0 H THR A 13 1.417 4.139 -11.496 1.00 0.00 H new ATOM 0 HA THR A 13 3.201 4.289 -9.151 1.00 0.00 H new ATOM 0 HB THR A 13 2.958 5.984 -11.623 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.017 4.946 -12.147 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.155 6.922 -10.983 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.888 7.273 -9.782 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.087 5.996 -9.464 1.00 0.00 H new ATOM 114 N PHE A 14 2.054 6.173 -7.984 1.00 0.00 N ATOM 115 CA PHE A 14 1.278 7.158 -7.241 1.00 0.00 C ATOM 116 C PHE A 14 2.112 8.386 -6.877 1.00 0.00 C ATOM 117 O PHE A 14 3.030 8.309 -6.063 1.00 0.00 O ATOM 118 CB PHE A 14 0.708 6.528 -5.967 1.00 0.00 C ATOM 119 CG PHE A 14 -0.539 5.718 -6.195 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.606 4.791 -7.222 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.646 5.882 -5.377 1.00 0.00 C ATOM 122 CE1 PHE A 14 -1.751 4.047 -7.431 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.794 5.140 -5.582 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.846 4.221 -6.612 1.00 0.00 C ATOM 0 H PHE A 14 2.825 5.757 -7.461 1.00 0.00 H new ATOM 0 HA PHE A 14 0.464 7.485 -7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.468 5.889 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.490 7.318 -5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.248 4.648 -7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.611 6.598 -4.570 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.788 3.329 -8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.649 5.279 -4.938 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.742 3.641 -6.775 1.00 0.00 H new ATOM 134 N GLU A 15 1.761 9.525 -7.472 1.00 0.00 N ATOM 135 CA GLU A 15 2.450 10.784 -7.203 1.00 0.00 C ATOM 136 C GLU A 15 1.668 11.585 -6.168 1.00 0.00 C ATOM 137 O GLU A 15 0.657 12.210 -6.488 1.00 0.00 O ATOM 138 CB GLU A 15 2.597 11.597 -8.491 1.00 0.00 C ATOM 139 CG GLU A 15 3.358 10.866 -9.585 1.00 0.00 C ATOM 140 CD GLU A 15 2.440 10.157 -10.561 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.262 9.933 -10.211 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.897 9.828 -11.675 1.00 0.00 O ATOM 0 H GLU A 15 1.000 9.601 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 15 3.445 10.566 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.606 11.859 -8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.110 12.532 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.979 11.578 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.030 10.138 -9.131 1.00 0.00 H new ATOM 149 N VAL A 16 2.126 11.546 -4.921 1.00 0.00 N ATOM 150 CA VAL A 16 1.449 12.249 -3.837 1.00 0.00 C ATOM 151 C VAL A 16 2.234 13.478 -3.379 1.00 0.00 C ATOM 152 O VAL A 16 3.349 13.355 -2.874 1.00 0.00 O ATOM 153 CB VAL A 16 1.214 11.326 -2.620 1.00 0.00 C ATOM 154 CG1 VAL A 16 -0.147 11.603 -1.999 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.337 9.860 -3.011 1.00 0.00 C ATOM 0 H VAL A 16 2.962 11.036 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 16 0.487 12.570 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 16 1.984 11.540 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.297 10.945 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.193 12.641 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.928 11.422 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.167 9.234 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.596 9.624 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.336 9.671 -3.403 1.00 0.00 H new ATOM 165 N PRO A 17 1.657 14.684 -3.543 1.00 0.00 N ATOM 166 CA PRO A 17 2.302 15.932 -3.140 1.00 0.00 C ATOM 167 C PRO A 17 2.082 16.263 -1.667 1.00 0.00 C ATOM 168 O PRO A 17 1.051 16.828 -1.300 1.00 0.00 O ATOM 169 CB PRO A 17 1.610 16.963 -4.025 1.00 0.00 C ATOM 170 CG PRO A 17 0.226 16.434 -4.200 1.00 0.00 C ATOM 171 CD PRO A 17 0.325 14.928 -4.135 1.00 0.00 C ATOM 0 HA PRO A 17 3.385 15.891 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.603 17.947 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.119 17.069 -4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.434 16.812 -3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.193 16.753 -5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.469 14.502 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.239 14.479 -5.125 1.00 0.00 H new ATOM 179 N LEU A 18 3.056 15.921 -0.824 1.00 0.00 N ATOM 180 CA LEU A 18 2.957 16.194 0.608 1.00 0.00 C ATOM 181 C LEU A 18 3.509 17.575 0.942 1.00 0.00 C ATOM 182 O LEU A 18 3.922 17.837 2.071 1.00 0.00 O ATOM 183 CB LEU A 18 3.704 15.133 1.406 1.00 0.00 C ATOM 184 CG LEU A 18 5.221 15.231 1.321 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.789 15.908 2.562 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.835 13.853 1.135 1.00 0.00 C ATOM 0 H LEU A 18 3.919 15.456 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 18 1.902 16.168 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.406 15.206 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.396 14.148 1.055 1.00 0.00 H new ATOM 0 HG LEU A 18 5.475 15.841 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.874 15.967 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.376 16.913 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.523 15.329 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.920 13.943 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.569 13.219 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.458 13.408 0.214 1.00 0.00 H new ATOM 198 N ASN A 19 3.502 18.451 -0.053 1.00 0.00 N ATOM 199 CA ASN A 19 3.984 19.820 0.097 1.00 0.00 C ATOM 200 C ASN A 19 3.576 20.424 1.442 1.00 0.00 C ATOM 201 O ASN A 19 4.277 21.275 1.990 1.00 0.00 O ATOM 202 CB ASN A 19 3.442 20.680 -1.051 1.00 0.00 C ATOM 203 CG ASN A 19 1.975 21.049 -0.872 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.135 20.059 -0.571 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.601 22.215 -1.006 1.00 0.00 N flip ATOM 0 H ASN A 19 3.162 18.233 -0.990 1.00 0.00 H new ATOM 0 HA ASN A 19 5.073 19.800 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.034 21.592 -1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.564 20.142 -1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.276 22.944 -1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.616 22.452 -0.886 1.00 0.00 H new ATOM 212 N ASP A 20 2.438 19.977 1.965 1.00 0.00 N ATOM 213 CA ASP A 20 1.937 20.470 3.241 1.00 0.00 C ATOM 214 C ASP A 20 1.313 19.343 4.059 1.00 0.00 C ATOM 215 O ASP A 20 0.446 19.580 4.900 1.00 0.00 O ATOM 216 CB ASP A 20 0.910 21.580 3.014 1.00 0.00 C ATOM 217 CG ASP A 20 -0.198 21.157 2.069 1.00 0.00 C ATOM 218 OD1 ASP A 20 -0.916 20.189 2.392 1.00 0.00 O ATOM 219 OD2 ASP A 20 -0.347 21.794 1.005 1.00 0.00 O ATOM 0 H ASP A 20 1.846 19.274 1.523 1.00 0.00 H new ATOM 0 HA ASP A 20 2.781 20.872 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.477 21.872 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.412 22.459 2.610 1.00 0.00 H new ATOM 224 N SER A 21 1.762 18.118 3.809 1.00 0.00 N ATOM 225 CA SER A 21 1.250 16.954 4.523 1.00 0.00 C ATOM 226 C SER A 21 2.328 16.334 5.409 1.00 0.00 C ATOM 227 O SER A 21 2.026 15.569 6.323 1.00 0.00 O ATOM 228 CB SER A 21 0.726 15.910 3.535 1.00 0.00 C ATOM 229 OG SER A 21 -0.180 15.022 4.164 1.00 0.00 O ATOM 0 H SER A 21 2.480 17.905 3.117 1.00 0.00 H new ATOM 0 HA SER A 21 0.430 17.287 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.231 16.409 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.562 15.347 3.119 1.00 0.00 H new ATOM 0 HG SER A 21 0.111 14.856 5.085 1.00 0.00 H new ATOM 235 N GLY A 22 3.590 16.667 5.133 1.00 0.00 N ATOM 236 CA GLY A 22 4.694 16.132 5.913 1.00 0.00 C ATOM 237 C GLY A 22 4.442 16.197 7.409 1.00 0.00 C ATOM 238 O GLY A 22 4.752 15.253 8.137 1.00 0.00 O ATOM 0 H GLY A 22 3.866 17.299 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.869 15.096 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.602 16.687 5.677 1.00 0.00 H new ATOM 242 N SER A 23 3.873 17.307 7.867 1.00 0.00 N ATOM 243 CA SER A 23 3.576 17.483 9.284 1.00 0.00 C ATOM 244 C SER A 23 2.674 16.359 9.786 1.00 0.00 C ATOM 245 O SER A 23 2.750 15.958 10.947 1.00 0.00 O ATOM 246 CB SER A 23 2.904 18.837 9.523 1.00 0.00 C ATOM 247 OG SER A 23 2.479 18.967 10.868 1.00 0.00 O ATOM 0 H SER A 23 3.609 18.097 7.279 1.00 0.00 H new ATOM 0 HA SER A 23 4.515 17.452 9.837 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.600 19.640 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.048 18.944 8.856 1.00 0.00 H new ATOM 0 HG SER A 23 2.055 19.841 10.994 1.00 0.00 H new ATOM 253 N ALA A 24 1.828 15.853 8.896 1.00 0.00 N ATOM 254 CA ALA A 24 0.914 14.769 9.234 1.00 0.00 C ATOM 255 C ALA A 24 1.471 13.423 8.781 1.00 0.00 C ATOM 256 O ALA A 24 1.135 12.380 9.340 1.00 0.00 O ATOM 257 CB ALA A 24 -0.448 15.016 8.603 1.00 0.00 C ATOM 0 H ALA A 24 1.756 16.178 7.932 1.00 0.00 H new ATOM 0 HA ALA A 24 0.803 14.742 10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.122 14.200 8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.856 15.956 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.343 15.069 7.519 1.00 0.00 H new ATOM 263 N GLY A 25 2.323 13.458 7.760 1.00 0.00 N ATOM 264 CA GLY A 25 2.914 12.238 7.242 1.00 0.00 C ATOM 265 C GLY A 25 2.266 11.791 5.948 1.00 0.00 C ATOM 266 O GLY A 25 2.046 10.598 5.735 1.00 0.00 O ATOM 0 H GLY A 25 2.614 14.311 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.980 12.395 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.819 11.447 7.986 1.00 0.00 H new ATOM 270 N LEU A 26 1.961 12.759 5.085 1.00 0.00 N ATOM 271 CA LEU A 26 1.333 12.493 3.788 1.00 0.00 C ATOM 272 C LEU A 26 -0.175 12.289 3.911 1.00 0.00 C ATOM 273 O LEU A 26 -0.874 12.207 2.901 1.00 0.00 O ATOM 274 CB LEU A 26 1.962 11.273 3.109 1.00 0.00 C ATOM 275 CG LEU A 26 1.543 11.069 1.653 1.00 0.00 C ATOM 276 CD1 LEU A 26 1.984 12.247 0.803 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.120 9.772 1.110 1.00 0.00 C ATOM 0 H LEU A 26 2.141 13.747 5.263 1.00 0.00 H new ATOM 0 HA LEU A 26 1.508 13.375 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.047 11.369 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.699 10.381 3.678 1.00 0.00 H new ATOM 0 HG LEU A 26 0.456 11.004 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.678 12.085 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.523 13.160 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.069 12.343 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.812 9.643 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.208 9.807 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.755 8.934 1.704 1.00 0.00 H new ATOM 289 N GLY A 27 -0.682 12.205 5.138 1.00 0.00 N ATOM 290 CA GLY A 27 -2.101 12.011 5.325 1.00 0.00 C ATOM 291 C GLY A 27 -2.575 10.669 4.804 1.00 0.00 C ATOM 292 O GLY A 27 -3.408 10.605 3.901 1.00 0.00 O ATOM 0 H GLY A 27 -0.136 12.268 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.339 12.090 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.644 12.807 4.816 1.00 0.00 H new ATOM 296 N VAL A 28 -2.048 9.595 5.384 1.00 0.00 N ATOM 297 CA VAL A 28 -2.422 8.237 4.989 1.00 0.00 C ATOM 298 C VAL A 28 -1.769 7.204 5.902 1.00 0.00 C ATOM 299 O VAL A 28 -0.707 7.448 6.474 1.00 0.00 O ATOM 300 CB VAL A 28 -2.034 7.919 3.526 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.263 7.917 2.632 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.989 8.898 3.008 1.00 0.00 C ATOM 0 H VAL A 28 -1.357 9.637 6.133 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.507 8.184 5.079 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.595 6.922 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.967 7.691 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.966 7.161 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.738 8.897 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.736 8.649 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.388 9.912 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.094 8.835 3.626 1.00 0.00 H new ATOM 312 N SER A 29 -2.411 6.047 6.026 1.00 0.00 N ATOM 313 CA SER A 29 -1.894 4.970 6.860 1.00 0.00 C ATOM 314 C SER A 29 -1.755 3.686 6.049 1.00 0.00 C ATOM 315 O SER A 29 -2.428 3.507 5.034 1.00 0.00 O ATOM 316 CB SER A 29 -2.814 4.737 8.060 1.00 0.00 C ATOM 317 OG SER A 29 -2.101 4.177 9.149 1.00 0.00 O ATOM 0 H SER A 29 -3.292 5.832 5.558 1.00 0.00 H new ATOM 0 HA SER A 29 -0.909 5.261 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.266 5.681 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.628 4.071 7.774 1.00 0.00 H new ATOM 0 HG SER A 29 -2.711 4.040 9.903 1.00 0.00 H new ATOM 323 N VAL A 30 -0.874 2.795 6.497 1.00 0.00 N ATOM 324 CA VAL A 30 -0.647 1.533 5.798 1.00 0.00 C ATOM 325 C VAL A 30 -0.733 0.346 6.739 1.00 0.00 C ATOM 326 O VAL A 30 -0.530 0.467 7.948 1.00 0.00 O ATOM 327 CB VAL A 30 0.713 1.513 5.070 1.00 0.00 C ATOM 328 CG1 VAL A 30 0.595 0.771 3.747 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.233 2.927 4.844 1.00 0.00 C ATOM 0 H VAL A 30 -0.308 2.922 7.336 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.440 1.451 5.055 1.00 0.00 H new ATOM 0 HB VAL A 30 1.429 0.988 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.563 0.766 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.277 -0.255 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.139 1.270 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.193 2.884 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.520 3.484 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.359 3.426 5.805 1.00 0.00 H new ATOM 339 N LYS A 31 -1.057 -0.798 6.161 1.00 0.00 N ATOM 340 CA LYS A 31 -1.207 -2.033 6.907 1.00 0.00 C ATOM 341 C LYS A 31 -0.439 -3.160 6.214 1.00 0.00 C ATOM 342 O LYS A 31 -0.461 -3.271 4.992 1.00 0.00 O ATOM 343 CB LYS A 31 -2.699 -2.358 7.015 1.00 0.00 C ATOM 344 CG LYS A 31 -3.014 -3.811 7.303 1.00 0.00 C ATOM 345 CD LYS A 31 -3.091 -4.074 8.797 1.00 0.00 C ATOM 346 CE LYS A 31 -1.735 -4.456 9.369 1.00 0.00 C ATOM 347 NZ LYS A 31 -1.854 -5.048 10.730 1.00 0.00 N ATOM 0 H LYS A 31 -1.223 -0.895 5.159 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.794 -1.924 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.134 -1.744 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.187 -2.073 6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.961 -4.080 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.248 -4.446 6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.463 -3.184 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.806 -4.874 8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.248 -5.169 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.097 -3.573 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.908 -5.295 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.295 -4.358 11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.442 -5.905 10.686 1.00 0.00 H new ATOM 361 N GLY A 32 0.246 -3.988 6.998 1.00 0.00 N ATOM 362 CA GLY A 32 1.013 -5.084 6.428 1.00 0.00 C ATOM 363 C GLY A 32 0.499 -6.446 6.856 1.00 0.00 C ATOM 364 O GLY A 32 0.178 -6.656 8.024 1.00 0.00 O ATOM 0 H GLY A 32 0.284 -3.921 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.984 -5.015 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.057 -4.985 6.726 1.00 0.00 H new ATOM 368 N ASN A 33 0.424 -7.374 5.905 1.00 0.00 N ATOM 369 CA ASN A 33 -0.054 -8.723 6.196 1.00 0.00 C ATOM 370 C ASN A 33 0.946 -9.774 5.726 1.00 0.00 C ATOM 371 O ASN A 33 1.839 -9.487 4.929 1.00 0.00 O ATOM 372 CB ASN A 33 -1.411 -8.965 5.530 1.00 0.00 C ATOM 373 CG ASN A 33 -2.571 -8.753 6.484 1.00 0.00 C ATOM 374 OD1 ASN A 33 -3.384 -9.651 6.700 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.653 -7.559 7.060 1.00 0.00 N ATOM 0 H ASN A 33 0.686 -7.218 4.932 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.165 -8.811 7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.519 -8.295 4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.445 -9.983 5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.412 -7.358 7.711 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.957 -6.843 6.852 1.00 0.00 H new ATOM 382 N ARG A 34 0.785 -10.996 6.225 1.00 0.00 N ATOM 383 CA ARG A 34 1.666 -12.099 5.860 1.00 0.00 C ATOM 384 C ARG A 34 0.882 -13.204 5.159 1.00 0.00 C ATOM 385 O ARG A 34 -0.349 -13.218 5.188 1.00 0.00 O ATOM 386 CB ARG A 34 2.359 -12.660 7.103 1.00 0.00 C ATOM 387 CG ARG A 34 3.358 -11.697 7.730 1.00 0.00 C ATOM 388 CD ARG A 34 4.759 -12.285 7.768 1.00 0.00 C ATOM 389 NE ARG A 34 5.778 -11.257 7.963 1.00 0.00 N ATOM 390 CZ ARG A 34 7.005 -11.503 8.418 1.00 0.00 C ATOM 391 NH1 ARG A 34 7.371 -12.742 8.724 1.00 0.00 N ATOM 392 NH2 ARG A 34 7.867 -10.508 8.568 1.00 0.00 N ATOM 0 H ARG A 34 0.050 -11.247 6.886 1.00 0.00 H new ATOM 0 HA ARG A 34 2.423 -11.718 5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.603 -12.920 7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.874 -13.583 6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.370 -10.766 7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.039 -11.451 8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.823 -13.017 8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.954 -12.817 6.837 1.00 0.00 H new ATOM 0 HE ARG A 34 5.535 -10.292 7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.711 -13.511 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.312 -12.924 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.591 -9.554 8.335 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.807 -10.696 8.917 1.00 0.00 H new ATOM 406 N SER A 35 1.601 -14.130 4.532 1.00 0.00 N ATOM 407 CA SER A 35 0.972 -15.241 3.823 1.00 0.00 C ATOM 408 C SER A 35 -0.111 -15.896 4.675 1.00 0.00 C ATOM 409 O SER A 35 0.034 -16.027 5.891 1.00 0.00 O ATOM 410 CB SER A 35 2.024 -16.282 3.431 1.00 0.00 C ATOM 411 OG SER A 35 1.414 -17.468 2.949 1.00 0.00 O ATOM 0 H SER A 35 2.620 -14.134 4.500 1.00 0.00 H new ATOM 0 HA SER A 35 0.505 -14.843 2.922 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.680 -15.870 2.665 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.648 -16.515 4.293 1.00 0.00 H new ATOM 0 HG SER A 35 1.955 -18.243 3.209 1.00 0.00 H new ATOM 417 N LYS A 36 -1.199 -16.304 4.033 1.00 0.00 N ATOM 418 CA LYS A 36 -2.305 -16.944 4.734 1.00 0.00 C ATOM 419 C LYS A 36 -1.954 -18.378 5.131 1.00 0.00 C ATOM 420 O LYS A 36 -2.694 -19.025 5.872 1.00 0.00 O ATOM 421 CB LYS A 36 -3.562 -16.935 3.861 1.00 0.00 C ATOM 422 CG LYS A 36 -4.465 -15.737 4.107 1.00 0.00 C ATOM 423 CD LYS A 36 -3.728 -14.426 3.883 1.00 0.00 C ATOM 424 CE LYS A 36 -4.386 -13.281 4.634 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.416 -12.198 4.958 1.00 0.00 N ATOM 0 H LYS A 36 -1.339 -16.203 3.028 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.497 -16.377 5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.266 -16.947 2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.127 -17.849 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.328 -15.788 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.846 -15.771 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.693 -14.529 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.705 -14.198 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.199 -12.873 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.829 -13.659 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.798 -11.607 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.515 -12.619 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.256 -11.611 4.114 1.00 0.00 H new ATOM 439 N GLU A 37 -0.823 -18.873 4.631 1.00 0.00 N ATOM 440 CA GLU A 37 -0.382 -20.227 4.935 1.00 0.00 C ATOM 441 C GLU A 37 0.826 -20.214 5.868 1.00 0.00 C ATOM 442 O GLU A 37 1.034 -21.147 6.644 1.00 0.00 O ATOM 443 CB GLU A 37 -0.039 -20.974 3.643 1.00 0.00 C ATOM 444 CG GLU A 37 0.484 -22.383 3.873 1.00 0.00 C ATOM 445 CD GLU A 37 1.965 -22.513 3.572 1.00 0.00 C ATOM 446 OE1 GLU A 37 2.457 -21.783 2.686 1.00 0.00 O ATOM 447 OE2 GLU A 37 2.631 -23.345 4.222 1.00 0.00 O ATOM 0 H GLU A 37 -0.198 -18.354 4.014 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.198 -20.743 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.929 -21.024 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.709 -20.404 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.301 -22.670 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.073 -23.080 3.246 1.00 0.00 H new ATOM 454 N ASN A 38 1.624 -19.154 5.785 1.00 0.00 N ATOM 455 CA ASN A 38 2.813 -19.026 6.620 1.00 0.00 C ATOM 456 C ASN A 38 3.057 -17.570 7.007 1.00 0.00 C ATOM 457 O ASN A 38 2.224 -16.701 6.749 1.00 0.00 O ATOM 458 CB ASN A 38 4.036 -19.587 5.887 1.00 0.00 C ATOM 459 CG ASN A 38 4.414 -18.765 4.670 1.00 0.00 C ATOM 460 OD1 ASN A 38 3.547 -18.756 3.664 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 5.476 -18.141 4.634 1.00 0.00 N flip ATOM 0 H ASN A 38 1.469 -18.372 5.149 1.00 0.00 H new ATOM 0 HA ASN A 38 2.649 -19.599 7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.882 -19.623 6.574 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.832 -20.612 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.114 -18.175 5.429 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.717 -17.591 3.809 1.00 0.00 H new ATOM 468 N HIS A 39 4.203 -17.309 7.624 1.00 0.00 N ATOM 469 CA HIS A 39 4.555 -15.957 8.045 1.00 0.00 C ATOM 470 C HIS A 39 5.367 -15.247 6.964 1.00 0.00 C ATOM 471 O HIS A 39 6.401 -14.641 7.247 1.00 0.00 O ATOM 472 CB HIS A 39 5.342 -15.995 9.355 1.00 0.00 C ATOM 473 CG HIS A 39 4.991 -14.886 10.297 1.00 0.00 C ATOM 474 ND1 HIS A 39 5.764 -13.937 10.876 1.00 0.00 N flip ATOM 475 CD2 HIS A 39 3.708 -14.658 10.747 1.00 0.00 C flip ATOM 476 CE1 HIS A 39 4.942 -13.161 11.655 1.00 0.00 C flip ATOM 477 NE2 HIS A 39 3.705 -13.617 11.559 1.00 0.00 N flip ATOM 0 H HIS A 39 4.905 -18.015 7.844 1.00 0.00 H new ATOM 0 HA HIS A 39 3.632 -15.399 8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.163 -16.950 9.849 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.408 -15.946 9.131 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.840 -15.241 10.477 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.255 -12.315 12.250 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.888 -13.231 12.032 1.00 0.00 H new ATOM 486 N ALA A 40 4.892 -15.328 5.727 1.00 0.00 N ATOM 487 CA ALA A 40 5.572 -14.693 4.604 1.00 0.00 C ATOM 488 C ALA A 40 5.003 -13.306 4.333 1.00 0.00 C ATOM 489 O ALA A 40 3.897 -13.169 3.809 1.00 0.00 O ATOM 490 CB ALA A 40 5.464 -15.565 3.362 1.00 0.00 C ATOM 0 H ALA A 40 4.039 -15.827 5.476 1.00 0.00 H new ATOM 0 HA ALA A 40 6.625 -14.580 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.976 -15.080 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.925 -16.533 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.414 -15.708 3.108 1.00 0.00 H new ATOM 496 N ASP A 41 5.766 -12.279 4.693 1.00 0.00 N ATOM 497 CA ASP A 41 5.340 -10.898 4.490 1.00 0.00 C ATOM 498 C ASP A 41 4.982 -10.644 3.028 1.00 0.00 C ATOM 499 O ASP A 41 5.850 -10.652 2.155 1.00 0.00 O ATOM 500 CB ASP A 41 6.442 -9.933 4.931 1.00 0.00 C ATOM 501 CG ASP A 41 7.807 -10.336 4.409 1.00 0.00 C ATOM 502 OD1 ASP A 41 8.138 -9.968 3.262 1.00 0.00 O ATOM 503 OD2 ASP A 41 8.547 -11.019 5.148 1.00 0.00 O ATOM 0 H ASP A 41 6.684 -12.377 5.127 1.00 0.00 H new ATOM 0 HA ASP A 41 4.451 -10.728 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.204 -8.929 4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.470 -9.891 6.020 1.00 0.00 H new ATOM 508 N LEU A 42 3.699 -10.417 2.770 1.00 0.00 N ATOM 509 CA LEU A 42 3.227 -10.158 1.414 1.00 0.00 C ATOM 510 C LEU A 42 3.457 -8.703 1.027 1.00 0.00 C ATOM 511 O LEU A 42 3.769 -8.397 -0.124 1.00 0.00 O ATOM 512 CB LEU A 42 1.739 -10.499 1.296 1.00 0.00 C ATOM 513 CG LEU A 42 1.346 -11.879 1.825 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.135 -11.918 2.165 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.690 -12.955 0.807 1.00 0.00 C ATOM 0 H LEU A 42 2.967 -10.407 3.481 1.00 0.00 H new ATOM 0 HA LEU A 42 3.794 -10.791 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.165 -9.744 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.449 -10.433 0.247 1.00 0.00 H new ATOM 0 HG LEU A 42 1.911 -12.074 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.396 -12.908 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.353 -11.172 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.719 -11.703 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.404 -13.931 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.151 -12.764 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.762 -12.942 0.612 1.00 0.00 H new ATOM 527 N GLY A 43 3.305 -7.808 1.998 1.00 0.00 N ATOM 528 CA GLY A 43 3.500 -6.395 1.741 1.00 0.00 C ATOM 529 C GLY A 43 2.563 -5.522 2.551 1.00 0.00 C ATOM 530 O GLY A 43 1.908 -5.997 3.483 1.00 0.00 O ATOM 0 H GLY A 43 3.050 -8.037 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.531 -6.126 1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.348 -6.198 0.680 1.00 0.00 H new ATOM 534 N ILE A 44 2.497 -4.241 2.197 1.00 0.00 N ATOM 535 CA ILE A 44 1.633 -3.298 2.897 1.00 0.00 C ATOM 536 C ILE A 44 0.497 -2.822 1.996 1.00 0.00 C ATOM 537 O ILE A 44 0.566 -2.946 0.774 1.00 0.00 O ATOM 538 CB ILE A 44 2.410 -2.062 3.415 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.921 -2.250 3.261 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.062 -1.783 4.869 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.483 -3.371 4.110 1.00 0.00 C ATOM 0 H ILE A 44 3.032 -3.834 1.430 1.00 0.00 H new ATOM 0 HA ILE A 44 1.226 -3.836 3.753 1.00 0.00 H new ATOM 0 HB ILE A 44 2.112 -1.206 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.149 -2.449 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.423 -1.319 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.617 -0.911 5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.993 -1.590 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.326 -2.647 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.558 -3.445 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.287 -3.164 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.009 -4.312 3.831 1.00 0.00 H new ATOM 553 N PHE A 45 -0.542 -2.267 2.611 1.00 0.00 N ATOM 554 CA PHE A 45 -1.693 -1.759 1.874 1.00 0.00 C ATOM 555 C PHE A 45 -2.234 -0.505 2.545 1.00 0.00 C ATOM 556 O PHE A 45 -2.203 -0.388 3.768 1.00 0.00 O ATOM 557 CB PHE A 45 -2.806 -2.809 1.793 1.00 0.00 C ATOM 558 CG PHE A 45 -2.312 -4.225 1.777 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.922 -4.841 2.952 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.238 -4.936 0.593 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.465 -6.143 2.949 1.00 0.00 C ATOM 562 CE2 PHE A 45 -1.781 -6.241 0.581 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.391 -6.845 1.762 1.00 0.00 C ATOM 0 H PHE A 45 -0.610 -2.157 3.623 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.362 -1.522 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.476 -2.679 2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.394 -2.631 0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.976 -4.297 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.540 -4.467 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.165 -6.613 3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.729 -6.787 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.030 -7.863 1.756 1.00 0.00 H new ATOM 573 N VAL A 46 -2.737 0.428 1.746 1.00 0.00 N ATOM 574 CA VAL A 46 -3.290 1.662 2.295 1.00 0.00 C ATOM 575 C VAL A 46 -4.380 1.346 3.315 1.00 0.00 C ATOM 576 O VAL A 46 -5.490 0.955 2.952 1.00 0.00 O ATOM 577 CB VAL A 46 -3.877 2.568 1.200 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.129 3.967 1.741 1.00 0.00 C ATOM 579 CG2 VAL A 46 -2.958 2.617 -0.014 1.00 0.00 C ATOM 0 H VAL A 46 -2.774 0.357 0.729 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.468 2.193 2.776 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.831 2.146 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.544 4.593 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.834 3.915 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.190 4.397 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.395 3.264 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.985 3.010 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.836 1.612 -0.419 1.00 0.00 H new ATOM 589 N LYS A 47 -4.051 1.505 4.592 1.00 0.00 N ATOM 590 CA LYS A 47 -4.992 1.226 5.668 1.00 0.00 C ATOM 591 C LYS A 47 -6.003 2.353 5.821 1.00 0.00 C ATOM 592 O LYS A 47 -7.179 2.112 6.090 1.00 0.00 O ATOM 593 CB LYS A 47 -4.241 1.014 6.984 1.00 0.00 C ATOM 594 CG LYS A 47 -5.152 0.749 8.173 1.00 0.00 C ATOM 595 CD LYS A 47 -5.684 -0.675 8.159 1.00 0.00 C ATOM 596 CE LYS A 47 -7.100 -0.734 7.608 1.00 0.00 C ATOM 597 NZ LYS A 47 -7.810 -1.973 8.033 1.00 0.00 N ATOM 0 H LYS A 47 -3.136 1.827 4.907 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.534 0.315 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.555 0.175 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.634 1.895 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.604 0.925 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.986 1.451 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.030 -1.303 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.669 -1.081 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.658 0.139 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.068 -0.689 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.772 -1.975 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.291 -2.806 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.863 -2.004 9.071 1.00 0.00 H new ATOM 611 N SER A 48 -5.541 3.587 5.652 1.00 0.00 N ATOM 612 CA SER A 48 -6.423 4.744 5.781 1.00 0.00 C ATOM 613 C SER A 48 -5.875 5.949 5.027 1.00 0.00 C ATOM 614 O SER A 48 -4.737 5.940 4.560 1.00 0.00 O ATOM 615 CB SER A 48 -6.619 5.098 7.256 1.00 0.00 C ATOM 616 OG SER A 48 -5.419 5.588 7.829 1.00 0.00 O ATOM 0 H SER A 48 -4.572 3.812 5.428 1.00 0.00 H new ATOM 0 HA SER A 48 -7.385 4.479 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.404 5.849 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.953 4.216 7.803 1.00 0.00 H new ATOM 0 HG SER A 48 -5.573 5.808 8.771 1.00 0.00 H new ATOM 622 N ILE A 49 -6.699 6.986 4.914 1.00 0.00 N ATOM 623 CA ILE A 49 -6.305 8.205 4.221 1.00 0.00 C ATOM 624 C ILE A 49 -6.813 9.435 4.960 1.00 0.00 C ATOM 625 O ILE A 49 -7.835 9.388 5.646 1.00 0.00 O ATOM 626 CB ILE A 49 -6.845 8.229 2.778 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.705 6.848 2.133 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.129 9.285 1.946 1.00 0.00 C ATOM 629 CD1 ILE A 49 -7.207 6.791 0.707 1.00 0.00 C ATOM 0 H ILE A 49 -7.645 7.005 5.295 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.215 8.220 4.193 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.903 8.489 2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.656 6.552 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.252 6.120 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.528 9.282 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.283 10.267 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.062 9.063 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.076 5.782 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.264 7.055 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.643 7.494 0.094 1.00 0.00 H new ATOM 641 N ILE A 50 -6.090 10.534 4.811 1.00 0.00 N ATOM 642 CA ILE A 50 -6.451 11.789 5.454 1.00 0.00 C ATOM 643 C ILE A 50 -6.965 12.783 4.418 1.00 0.00 C ATOM 644 O ILE A 50 -6.178 13.400 3.702 1.00 0.00 O ATOM 645 CB ILE A 50 -5.243 12.410 6.198 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.872 11.585 7.437 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.540 13.850 6.602 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.258 10.237 7.131 1.00 0.00 C ATOM 0 H ILE A 50 -5.243 10.582 4.245 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.234 11.573 6.180 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.395 12.404 5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.173 12.159 8.045 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.768 11.434 8.039 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.678 14.267 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.747 14.443 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.408 13.871 7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.027 9.722 8.064 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.962 9.640 6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.342 10.376 6.557 1.00 0.00 H new ATOM 660 N ASN A 51 -8.286 12.929 4.340 1.00 0.00 N ATOM 661 CA ASN A 51 -8.900 13.849 3.386 1.00 0.00 C ATOM 662 C ASN A 51 -8.498 15.290 3.683 1.00 0.00 C ATOM 663 O ASN A 51 -9.301 16.084 4.176 1.00 0.00 O ATOM 664 CB ASN A 51 -10.421 13.716 3.419 1.00 0.00 C ATOM 665 CG ASN A 51 -10.972 13.709 4.830 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.147 12.519 5.391 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -11.235 14.762 5.411 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.951 12.423 4.925 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.543 13.588 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.867 14.540 2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.713 12.795 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.085 15.655 4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.603 14.742 6.362 1.00 0.00 H new ATOM 674 N GLY A 52 -7.251 15.618 3.378 1.00 0.00 N ATOM 675 CA GLY A 52 -6.747 16.957 3.613 1.00 0.00 C ATOM 676 C GLY A 52 -5.345 17.146 3.069 1.00 0.00 C ATOM 677 O GLY A 52 -4.960 18.255 2.700 1.00 0.00 O ATOM 0 H GLY A 52 -6.573 14.975 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.416 17.682 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.750 17.162 4.684 1.00 0.00 H new ATOM 681 N GLY A 53 -4.578 16.059 3.021 1.00 0.00 N ATOM 682 CA GLY A 53 -3.219 16.133 2.518 1.00 0.00 C ATOM 683 C GLY A 53 -3.066 15.498 1.149 1.00 0.00 C ATOM 684 O GLY A 53 -4.051 15.137 0.505 1.00 0.00 O ATOM 0 H GLY A 53 -4.874 15.130 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.912 17.177 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.548 15.638 3.221 1.00 0.00 H new ATOM 688 N ALA A 54 -1.821 15.378 0.704 1.00 0.00 N ATOM 689 CA ALA A 54 -1.503 14.803 -0.602 1.00 0.00 C ATOM 690 C ALA A 54 -2.347 13.577 -0.938 1.00 0.00 C ATOM 691 O ALA A 54 -2.991 13.532 -1.984 1.00 0.00 O ATOM 692 CB ALA A 54 -0.030 14.439 -0.656 1.00 0.00 C ATOM 0 H ALA A 54 -1.003 15.675 1.236 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.736 15.563 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.203 14.011 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.572 15.334 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.194 13.710 0.123 1.00 0.00 H new ATOM 698 N ALA A 55 -2.328 12.582 -0.064 1.00 0.00 N ATOM 699 CA ALA A 55 -3.082 11.352 -0.293 1.00 0.00 C ATOM 700 C ALA A 55 -4.537 11.648 -0.636 1.00 0.00 C ATOM 701 O ALA A 55 -5.169 10.912 -1.393 1.00 0.00 O ATOM 702 CB ALA A 55 -3.000 10.447 0.923 1.00 0.00 C ATOM 0 H ALA A 55 -1.801 12.599 0.809 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.635 10.840 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.567 9.535 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.958 10.193 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.416 10.962 1.789 1.00 0.00 H new ATOM 708 N SER A 56 -5.057 12.732 -0.080 1.00 0.00 N ATOM 709 CA SER A 56 -6.434 13.134 -0.331 1.00 0.00 C ATOM 710 C SER A 56 -6.551 13.822 -1.683 1.00 0.00 C ATOM 711 O SER A 56 -7.297 13.379 -2.555 1.00 0.00 O ATOM 712 CB SER A 56 -6.913 14.071 0.768 1.00 0.00 C ATOM 713 OG SER A 56 -8.187 14.611 0.463 1.00 0.00 O ATOM 0 H SER A 56 -4.545 13.351 0.549 1.00 0.00 H new ATOM 0 HA SER A 56 -7.059 12.241 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.961 13.532 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.194 14.880 0.898 1.00 0.00 H new ATOM 0 HG SER A 56 -8.333 15.423 0.992 1.00 0.00 H new ATOM 719 N LYS A 57 -5.803 14.907 -1.848 1.00 0.00 N ATOM 720 CA LYS A 57 -5.817 15.658 -3.101 1.00 0.00 C ATOM 721 C LYS A 57 -5.395 14.775 -4.270 1.00 0.00 C ATOM 722 O LYS A 57 -5.748 15.042 -5.420 1.00 0.00 O ATOM 723 CB LYS A 57 -4.919 16.895 -3.027 1.00 0.00 C ATOM 724 CG LYS A 57 -3.629 16.695 -2.254 1.00 0.00 C ATOM 725 CD LYS A 57 -3.425 17.799 -1.229 1.00 0.00 C ATOM 726 CE LYS A 57 -2.003 18.331 -1.255 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.966 19.820 -1.237 1.00 0.00 N ATOM 0 H LYS A 57 -5.181 15.286 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.842 15.992 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.674 17.211 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.480 17.708 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.649 15.728 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.787 16.677 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.122 18.613 -1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.653 17.419 -0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.455 17.944 -0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.495 17.966 -2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.001 20.141 -1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.249 20.186 -2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.622 20.175 -0.512 1.00 0.00 H new ATOM 741 N ASP A 58 -4.641 13.719 -3.974 1.00 0.00 N ATOM 742 CA ASP A 58 -4.178 12.796 -5.005 1.00 0.00 C ATOM 743 C ASP A 58 -5.355 12.289 -5.832 1.00 0.00 C ATOM 744 O ASP A 58 -5.322 12.308 -7.062 1.00 0.00 O ATOM 745 CB ASP A 58 -3.435 11.618 -4.369 1.00 0.00 C ATOM 746 CG ASP A 58 -1.968 11.580 -4.755 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.464 12.599 -5.272 1.00 0.00 O ATOM 748 OD2 ASP A 58 -1.325 10.533 -4.539 1.00 0.00 O ATOM 0 H ASP A 58 -4.338 13.482 -3.029 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.492 13.329 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.520 11.682 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.911 10.686 -4.672 1.00 0.00 H new ATOM 753 N GLY A 59 -6.401 11.846 -5.140 1.00 0.00 N ATOM 754 CA GLY A 59 -7.585 11.348 -5.819 1.00 0.00 C ATOM 755 C GLY A 59 -7.383 9.978 -6.439 1.00 0.00 C ATOM 756 O GLY A 59 -8.267 9.471 -7.129 1.00 0.00 O ATOM 0 H GLY A 59 -6.450 11.823 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.411 11.301 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.874 12.054 -6.598 1.00 0.00 H new ATOM 760 N ARG A 60 -6.224 9.375 -6.193 1.00 0.00 N ATOM 761 CA ARG A 60 -5.924 8.055 -6.733 1.00 0.00 C ATOM 762 C ARG A 60 -5.679 7.046 -5.614 1.00 0.00 C ATOM 763 O ARG A 60 -5.569 5.845 -5.864 1.00 0.00 O ATOM 764 CB ARG A 60 -4.702 8.123 -7.652 1.00 0.00 C ATOM 765 CG ARG A 60 -3.426 8.536 -6.937 1.00 0.00 C ATOM 766 CD ARG A 60 -2.473 9.262 -7.872 1.00 0.00 C ATOM 767 NE ARG A 60 -2.442 10.699 -7.612 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.641 11.550 -8.247 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.810 11.117 -9.186 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.671 12.840 -7.942 1.00 0.00 N ATOM 0 H ARG A 60 -5.479 9.779 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.787 7.723 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.550 7.147 -8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.902 8.829 -8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.673 9.182 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.934 7.653 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.470 8.851 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.774 9.087 -8.905 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.072 11.072 -6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.783 10.126 -9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.199 11.775 -9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.308 13.179 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.057 13.493 -8.428 1.00 0.00 H new ATOM 784 N LEU A 61 -5.596 7.539 -4.381 1.00 0.00 N ATOM 785 CA LEU A 61 -5.366 6.682 -3.227 1.00 0.00 C ATOM 786 C LEU A 61 -6.500 5.679 -3.056 1.00 0.00 C ATOM 787 O LEU A 61 -7.666 5.998 -3.282 1.00 0.00 O ATOM 788 CB LEU A 61 -5.223 7.527 -1.962 1.00 0.00 C ATOM 789 CG LEU A 61 -3.816 8.067 -1.690 1.00 0.00 C ATOM 790 CD1 LEU A 61 -2.934 6.981 -1.092 1.00 0.00 C ATOM 791 CD2 LEU A 61 -3.194 8.618 -2.966 1.00 0.00 C ATOM 0 H LEU A 61 -5.685 8.530 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.442 6.129 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.911 8.370 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.535 6.927 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.896 8.882 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.938 7.383 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.368 6.636 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.863 6.145 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.195 8.996 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.128 7.825 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.813 9.428 -3.352 1.00 0.00 H new ATOM 803 N ARG A 62 -6.145 4.466 -2.649 1.00 0.00 N ATOM 804 CA ARG A 62 -7.125 3.411 -2.438 1.00 0.00 C ATOM 805 C ARG A 62 -6.815 2.648 -1.160 1.00 0.00 C ATOM 806 O ARG A 62 -5.693 2.188 -0.963 1.00 0.00 O ATOM 807 CB ARG A 62 -7.147 2.455 -3.631 1.00 0.00 C ATOM 808 CG ARG A 62 -8.522 1.881 -3.923 1.00 0.00 C ATOM 809 CD ARG A 62 -9.291 2.748 -4.909 1.00 0.00 C ATOM 810 NE ARG A 62 -9.407 4.133 -4.460 1.00 0.00 N ATOM 811 CZ ARG A 62 -10.177 4.522 -3.447 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.886 3.633 -2.764 1.00 0.00 N ATOM 813 NH2 ARG A 62 -10.236 5.804 -3.113 1.00 0.00 N ATOM 0 H ARG A 62 -5.182 4.189 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.109 3.870 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.787 2.982 -4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.453 1.636 -3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.419 0.874 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.087 1.796 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.791 2.723 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.288 2.331 -5.055 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.866 4.844 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.843 2.645 -3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.474 3.937 -1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.691 6.492 -3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.826 6.102 -2.336 1.00 0.00 H new ATOM 827 N VAL A 63 -7.816 2.518 -0.293 1.00 0.00 N ATOM 828 CA VAL A 63 -7.649 1.815 0.977 1.00 0.00 C ATOM 829 C VAL A 63 -7.605 0.300 0.785 1.00 0.00 C ATOM 830 O VAL A 63 -8.112 -0.455 1.615 1.00 0.00 O ATOM 831 CB VAL A 63 -8.785 2.162 1.959 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.414 1.737 3.371 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.103 3.649 1.907 1.00 0.00 C ATOM 0 H VAL A 63 -8.753 2.891 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.696 2.145 1.391 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.679 1.615 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.227 1.989 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.242 0.661 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.507 2.256 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.907 3.874 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.215 4.221 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.414 3.919 0.898 1.00 0.00 H new ATOM 843 N ASN A 64 -6.993 -0.138 -0.310 1.00 0.00 N ATOM 844 CA ASN A 64 -6.877 -1.558 -0.613 1.00 0.00 C ATOM 845 C ASN A 64 -5.789 -1.810 -1.660 1.00 0.00 C ATOM 846 O ASN A 64 -5.745 -2.879 -2.270 1.00 0.00 O ATOM 847 CB ASN A 64 -8.218 -2.095 -1.112 1.00 0.00 C ATOM 848 CG ASN A 64 -9.180 -2.393 0.020 1.00 0.00 C ATOM 849 OD1 ASN A 64 -10.082 -1.457 0.288 1.00 0.00 O flip ATOM 850 ND2 ASN A 64 -9.113 -3.451 0.646 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.568 0.475 -1.006 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.596 -2.081 0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.669 -1.367 -1.786 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.050 -3.003 -1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.403 -4.142 0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.768 -3.636 1.406 1.00 0.00 H new ATOM 857 N ASP A 65 -4.911 -0.828 -1.863 1.00 0.00 N ATOM 858 CA ASP A 65 -3.828 -0.957 -2.832 1.00 0.00 C ATOM 859 C ASP A 65 -2.555 -1.444 -2.150 1.00 0.00 C ATOM 860 O ASP A 65 -2.227 -1.006 -1.045 1.00 0.00 O ATOM 861 CB ASP A 65 -3.574 0.382 -3.526 1.00 0.00 C ATOM 862 CG ASP A 65 -4.345 0.516 -4.825 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.289 -0.273 -5.041 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.005 1.411 -5.629 1.00 0.00 O ATOM 0 H ASP A 65 -4.930 0.064 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.123 -1.691 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.854 1.194 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.508 0.487 -3.727 1.00 0.00 H new ATOM 869 N GLN A 66 -1.845 -2.354 -2.816 1.00 0.00 N ATOM 870 CA GLN A 66 -0.608 -2.908 -2.273 1.00 0.00 C ATOM 871 C GLN A 66 0.602 -2.102 -2.731 1.00 0.00 C ATOM 872 O GLN A 66 0.820 -1.918 -3.927 1.00 0.00 O ATOM 873 CB GLN A 66 -0.453 -4.368 -2.701 1.00 0.00 C ATOM 874 CG GLN A 66 0.332 -5.214 -1.710 1.00 0.00 C ATOM 875 CD GLN A 66 1.635 -5.733 -2.286 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.662 -4.894 -2.273 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 1.715 -6.874 -2.739 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.106 -2.722 -3.731 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.663 -2.855 -1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.442 -4.805 -2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.045 -4.403 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.544 -4.621 -0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.281 -6.057 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.899 -7.485 -2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.598 -7.209 -3.125 1.00 0.00 H new ATOM 886 N LEU A 67 1.391 -1.626 -1.772 1.00 0.00 N ATOM 887 CA LEU A 67 2.582 -0.841 -2.079 1.00 0.00 C ATOM 888 C LEU A 67 3.697 -1.732 -2.617 1.00 0.00 C ATOM 889 O LEU A 67 4.046 -2.744 -2.010 1.00 0.00 O ATOM 890 CB LEU A 67 3.065 -0.097 -0.835 1.00 0.00 C ATOM 891 CG LEU A 67 2.059 0.892 -0.246 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.492 1.332 1.143 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.897 2.096 -1.162 1.00 0.00 C ATOM 0 H LEU A 67 1.227 -1.770 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 67 2.318 -0.114 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.324 -0.829 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.979 0.442 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 67 1.094 0.392 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.763 2.036 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.556 0.462 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.468 1.814 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.177 2.790 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.858 2.596 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.539 1.766 -2.137 1.00 0.00 H new ATOM 905 N ILE A 68 4.248 -1.349 -3.764 1.00 0.00 N ATOM 906 CA ILE A 68 5.321 -2.114 -4.389 1.00 0.00 C ATOM 907 C ILE A 68 6.670 -1.417 -4.236 1.00 0.00 C ATOM 908 O ILE A 68 7.672 -2.053 -3.912 1.00 0.00 O ATOM 909 CB ILE A 68 5.044 -2.343 -5.887 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.622 -2.868 -6.092 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.062 -3.309 -6.473 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.376 -4.213 -5.445 1.00 0.00 C ATOM 0 H ILE A 68 3.970 -0.514 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 68 5.357 -3.075 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 68 5.136 -1.390 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.914 -2.144 -5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.423 -2.946 -7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.852 -3.460 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.064 -2.896 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.000 -4.264 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.348 -4.524 -5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.059 -4.950 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.543 -4.136 -4.371 1.00 0.00 H new ATOM 924 N ALA A 69 6.692 -0.110 -4.477 1.00 0.00 N ATOM 925 CA ALA A 69 7.925 0.664 -4.371 1.00 0.00 C ATOM 926 C ALA A 69 7.639 2.120 -4.027 1.00 0.00 C ATOM 927 O ALA A 69 6.498 2.573 -4.095 1.00 0.00 O ATOM 928 CB ALA A 69 8.710 0.575 -5.671 1.00 0.00 C ATOM 0 H ALA A 69 5.873 0.435 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 69 8.521 0.241 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.628 1.156 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.958 -0.467 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.107 0.972 -6.488 1.00 0.00 H new ATOM 934 N VAL A 70 8.688 2.850 -3.660 1.00 0.00 N ATOM 935 CA VAL A 70 8.553 4.260 -3.307 1.00 0.00 C ATOM 936 C VAL A 70 9.838 5.030 -3.601 1.00 0.00 C ATOM 937 O VAL A 70 10.857 4.833 -2.938 1.00 0.00 O ATOM 938 CB VAL A 70 8.176 4.438 -1.823 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.262 3.874 -0.918 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.916 5.903 -1.505 1.00 0.00 C ATOM 0 H VAL A 70 9.640 2.489 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 70 7.749 4.663 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 70 7.257 3.882 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.974 4.011 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.390 2.811 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.200 4.396 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.652 6.005 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.814 6.485 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.096 6.269 -2.122 1.00 0.00 H new ATOM 950 N ASN A 71 9.780 5.906 -4.599 1.00 0.00 N ATOM 951 CA ASN A 71 10.936 6.710 -4.987 1.00 0.00 C ATOM 952 C ASN A 71 12.140 5.823 -5.287 1.00 0.00 C ATOM 953 O ASN A 71 13.272 6.153 -4.934 1.00 0.00 O ATOM 954 CB ASN A 71 11.285 7.707 -3.882 1.00 0.00 C ATOM 955 CG ASN A 71 10.202 8.746 -3.680 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.417 8.584 -2.623 1.00 0.00 O flip ATOM 957 ND2 ASN A 71 10.073 9.685 -4.465 1.00 0.00 N flip ATOM 0 H ASN A 71 8.943 6.078 -5.156 1.00 0.00 H new ATOM 0 HA ASN A 71 10.677 7.259 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.447 7.169 -2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.222 8.206 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.700 9.771 -5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.339 10.378 -4.315 1.00 0.00 H new ATOM 964 N GLY A 72 11.888 4.694 -5.940 1.00 0.00 N ATOM 965 CA GLY A 72 12.961 3.777 -6.273 1.00 0.00 C ATOM 966 C GLY A 72 13.226 2.764 -5.175 1.00 0.00 C ATOM 967 O GLY A 72 13.950 1.792 -5.384 1.00 0.00 O ATOM 0 H GLY A 72 10.961 4.398 -6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.711 3.251 -7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.872 4.344 -6.466 1.00 0.00 H new ATOM 971 N GLU A 73 12.637 2.987 -4.002 1.00 0.00 N ATOM 972 CA GLU A 73 12.817 2.080 -2.875 1.00 0.00 C ATOM 973 C GLU A 73 11.819 0.931 -2.951 1.00 0.00 C ATOM 974 O GLU A 73 10.693 1.038 -2.465 1.00 0.00 O ATOM 975 CB GLU A 73 12.657 2.833 -1.552 1.00 0.00 C ATOM 976 CG GLU A 73 13.859 2.704 -0.630 1.00 0.00 C ATOM 977 CD GLU A 73 14.712 3.957 -0.605 1.00 0.00 C ATOM 978 OE1 GLU A 73 15.319 4.284 -1.647 1.00 0.00 O ATOM 979 OE2 GLU A 73 14.775 4.611 0.457 1.00 0.00 O ATOM 0 H GLU A 73 12.033 3.786 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 73 13.825 1.669 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.483 3.888 -1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.772 2.461 -1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.515 2.483 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.469 1.860 -0.951 1.00 0.00 H new ATOM 986 N SER A 74 12.239 -0.166 -3.569 1.00 0.00 N ATOM 987 CA SER A 74 11.385 -1.336 -3.718 1.00 0.00 C ATOM 988 C SER A 74 10.943 -1.871 -2.359 1.00 0.00 C ATOM 989 O SER A 74 11.759 -2.056 -1.456 1.00 0.00 O ATOM 990 CB SER A 74 12.117 -2.427 -4.501 1.00 0.00 C ATOM 991 OG SER A 74 11.500 -2.656 -5.756 1.00 0.00 O ATOM 0 H SER A 74 13.169 -0.269 -3.976 1.00 0.00 H new ATOM 0 HA SER A 74 10.494 -1.037 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.157 -2.136 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.125 -3.351 -3.922 1.00 0.00 H new ATOM 0 HG SER A 74 11.988 -3.356 -6.237 1.00 0.00 H new ATOM 997 N LEU A 75 9.646 -2.120 -2.229 1.00 0.00 N ATOM 998 CA LEU A 75 9.081 -2.637 -0.989 1.00 0.00 C ATOM 999 C LEU A 75 8.951 -4.160 -1.046 1.00 0.00 C ATOM 1000 O LEU A 75 8.929 -4.828 -0.013 1.00 0.00 O ATOM 1001 CB LEU A 75 7.709 -2.009 -0.737 1.00 0.00 C ATOM 1002 CG LEU A 75 7.729 -0.543 -0.303 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.315 0.009 -0.232 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.427 -0.395 1.042 1.00 0.00 C ATOM 0 H LEU A 75 8.962 -1.971 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 75 9.753 -2.376 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.117 -2.093 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.197 -2.590 0.030 1.00 0.00 H new ATOM 0 HG LEU A 75 8.286 0.029 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.347 1.053 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.846 -0.064 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.736 -0.566 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.432 0.655 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.896 -0.979 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.453 -0.754 0.961 1.00 0.00 H new ATOM 1016 N LEU A 76 8.858 -4.698 -2.263 1.00 0.00 N ATOM 1017 CA LEU A 76 8.723 -6.141 -2.462 1.00 0.00 C ATOM 1018 C LEU A 76 9.708 -6.917 -1.591 1.00 0.00 C ATOM 1019 O LEU A 76 9.361 -7.947 -1.014 1.00 0.00 O ATOM 1020 CB LEU A 76 8.941 -6.496 -3.935 1.00 0.00 C ATOM 1021 CG LEU A 76 8.162 -5.636 -4.932 1.00 0.00 C ATOM 1022 CD1 LEU A 76 9.057 -4.557 -5.523 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.571 -6.501 -6.036 1.00 0.00 C ATOM 0 H LEU A 76 8.874 -4.155 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 76 7.712 -6.424 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.004 -6.412 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.665 -7.540 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 76 7.344 -5.150 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.484 -3.956 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.433 -3.918 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.896 -5.023 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.021 -5.872 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.374 -7.015 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.895 -7.236 -5.600 1.00 0.00 H new ATOM 1035 N GLY A 77 10.933 -6.411 -1.499 1.00 0.00 N ATOM 1036 CA GLY A 77 11.945 -7.067 -0.692 1.00 0.00 C ATOM 1037 C GLY A 77 11.972 -6.545 0.731 1.00 0.00 C ATOM 1038 O GLY A 77 13.041 -6.295 1.288 1.00 0.00 O ATOM 0 H GLY A 77 11.243 -5.560 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.757 -8.141 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.923 -6.920 -1.149 1.00 0.00 H new ATOM 1042 N LYS A 78 10.792 -6.375 1.317 1.00 0.00 N ATOM 1043 CA LYS A 78 10.679 -5.873 2.681 1.00 0.00 C ATOM 1044 C LYS A 78 9.423 -6.394 3.353 1.00 0.00 C ATOM 1045 O LYS A 78 8.367 -6.504 2.730 1.00 0.00 O ATOM 1046 CB LYS A 78 10.661 -4.346 2.684 1.00 0.00 C ATOM 1047 CG LYS A 78 12.025 -3.726 2.456 1.00 0.00 C ATOM 1048 CD LYS A 78 12.052 -2.257 2.832 1.00 0.00 C ATOM 1049 CE LYS A 78 11.041 -1.462 2.037 1.00 0.00 C ATOM 1050 NZ LYS A 78 11.649 -0.833 0.833 1.00 0.00 N ATOM 0 H LYS A 78 9.899 -6.578 0.868 1.00 0.00 H new ATOM 0 HA LYS A 78 11.546 -6.228 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.978 -3.997 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.267 -3.997 3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.770 -4.264 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.303 -3.837 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.845 -2.149 3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.050 -1.854 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.225 -2.116 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.609 -0.688 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.898 -0.442 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.290 -0.068 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.185 -1.548 0.301 1.00 0.00 H new ATOM 1064 N ALA A 79 9.544 -6.695 4.636 1.00 0.00 N ATOM 1065 CA ALA A 79 8.420 -7.182 5.408 1.00 0.00 C ATOM 1066 C ALA A 79 7.503 -6.025 5.768 1.00 0.00 C ATOM 1067 O ALA A 79 7.663 -4.916 5.258 1.00 0.00 O ATOM 1068 CB ALA A 79 8.911 -7.893 6.659 1.00 0.00 C ATOM 0 H ALA A 79 10.413 -6.609 5.163 1.00 0.00 H new ATOM 0 HA ALA A 79 7.857 -7.898 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.057 -8.255 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.541 -8.736 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.488 -7.199 7.269 1.00 0.00 H new ATOM 1074 N ASN A 80 6.546 -6.278 6.645 1.00 0.00 N ATOM 1075 CA ASN A 80 5.618 -5.240 7.060 1.00 0.00 C ATOM 1076 C ASN A 80 6.366 -4.070 7.698 1.00 0.00 C ATOM 1077 O ASN A 80 6.129 -2.912 7.360 1.00 0.00 O ATOM 1078 CB ASN A 80 4.593 -5.808 8.044 1.00 0.00 C ATOM 1079 CG ASN A 80 3.997 -7.117 7.568 1.00 0.00 C ATOM 1080 OD1 ASN A 80 3.190 -7.143 6.638 1.00 0.00 O ATOM 1081 ND2 ASN A 80 4.390 -8.214 8.206 1.00 0.00 N ATOM 0 H ASN A 80 6.392 -7.187 7.081 1.00 0.00 H new ATOM 0 HA ASN A 80 5.095 -4.875 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.069 -5.960 9.013 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.794 -5.081 8.192 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.021 -9.124 7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.061 -8.146 8.971 1.00 0.00 H new ATOM 1088 N GLN A 81 7.262 -4.384 8.630 1.00 0.00 N ATOM 1089 CA GLN A 81 8.038 -3.364 9.335 1.00 0.00 C ATOM 1090 C GLN A 81 9.071 -2.676 8.439 1.00 0.00 C ATOM 1091 O GLN A 81 9.318 -1.479 8.587 1.00 0.00 O ATOM 1092 CB GLN A 81 8.740 -3.982 10.546 1.00 0.00 C ATOM 1093 CG GLN A 81 9.474 -5.276 10.230 1.00 0.00 C ATOM 1094 CD GLN A 81 10.849 -5.337 10.870 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.080 -6.110 11.799 1.00 0.00 O ATOM 1096 NE2 GLN A 81 11.769 -4.518 10.372 1.00 0.00 N ATOM 0 H GLN A 81 7.470 -5.341 8.916 1.00 0.00 H new ATOM 0 HA GLN A 81 7.331 -2.600 9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.450 -3.261 10.951 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.002 -4.174 11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.878 -6.121 10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.575 -5.378 9.149 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.532 -3.894 9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.712 -4.514 10.761 1.00 0.00 H new ATOM 1105 N GLU A 82 9.686 -3.423 7.525 1.00 0.00 N ATOM 1106 CA GLU A 82 10.699 -2.855 6.644 1.00 0.00 C ATOM 1107 C GLU A 82 10.068 -1.943 5.602 1.00 0.00 C ATOM 1108 O GLU A 82 10.580 -0.862 5.318 1.00 0.00 O ATOM 1109 CB GLU A 82 11.493 -3.968 5.960 1.00 0.00 C ATOM 1110 CG GLU A 82 12.314 -4.810 6.923 1.00 0.00 C ATOM 1111 CD GLU A 82 13.713 -5.089 6.409 1.00 0.00 C ATOM 1112 OE1 GLU A 82 13.876 -6.044 5.619 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.645 -4.353 6.795 1.00 0.00 O ATOM 0 H GLU A 82 9.501 -4.415 7.377 1.00 0.00 H new ATOM 0 HA GLU A 82 11.379 -2.258 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.803 -4.617 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.159 -3.525 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.379 -4.297 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.801 -5.755 7.101 1.00 0.00 H new ATOM 1120 N ALA A 83 8.949 -2.373 5.042 1.00 0.00 N ATOM 1121 CA ALA A 83 8.253 -1.577 4.050 1.00 0.00 C ATOM 1122 C ALA A 83 7.636 -0.356 4.707 1.00 0.00 C ATOM 1123 O ALA A 83 7.537 0.712 4.102 1.00 0.00 O ATOM 1124 CB ALA A 83 7.199 -2.405 3.338 1.00 0.00 C ATOM 0 H ALA A 83 8.506 -3.266 5.258 1.00 0.00 H new ATOM 0 HA ALA A 83 8.971 -1.242 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.690 -1.787 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.675 -3.249 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.474 -2.774 4.064 1.00 0.00 H new ATOM 1130 N MET A 84 7.230 -0.524 5.960 1.00 0.00 N ATOM 1131 CA MET A 84 6.631 0.564 6.718 1.00 0.00 C ATOM 1132 C MET A 84 7.682 1.598 7.090 1.00 0.00 C ATOM 1133 O MET A 84 7.385 2.788 7.202 1.00 0.00 O ATOM 1134 CB MET A 84 5.946 0.040 7.977 1.00 0.00 C ATOM 1135 CG MET A 84 4.435 0.030 7.859 1.00 0.00 C ATOM 1136 SD MET A 84 3.647 -1.027 9.084 1.00 0.00 S ATOM 1137 CE MET A 84 3.572 -2.556 8.165 1.00 0.00 C ATOM 0 H MET A 84 7.305 -1.404 6.471 1.00 0.00 H new ATOM 0 HA MET A 84 5.879 1.037 6.087 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.297 -0.971 8.183 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.236 0.657 8.827 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.060 1.048 7.969 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.155 -0.307 6.861 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.536 -2.887 8.093 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.974 -2.399 7.164 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.161 -3.317 8.677 1.00 0.00 H new ATOM 1147 N GLU A 85 8.917 1.139 7.270 1.00 0.00 N ATOM 1148 CA GLU A 85 10.011 2.031 7.618 1.00 0.00 C ATOM 1149 C GLU A 85 10.437 2.814 6.385 1.00 0.00 C ATOM 1150 O GLU A 85 10.795 3.987 6.472 1.00 0.00 O ATOM 1151 CB GLU A 85 11.187 1.239 8.222 1.00 0.00 C ATOM 1152 CG GLU A 85 12.149 0.633 7.209 1.00 0.00 C ATOM 1153 CD GLU A 85 13.574 0.576 7.726 1.00 0.00 C ATOM 1154 OE1 GLU A 85 14.017 1.563 8.351 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.246 -0.454 7.507 1.00 0.00 O ATOM 0 H GLU A 85 9.182 0.158 7.180 1.00 0.00 H new ATOM 0 HA GLU A 85 9.676 2.738 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.749 1.900 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.784 0.437 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.817 -0.374 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.122 1.219 6.291 1.00 0.00 H new ATOM 1162 N THR A 86 10.362 2.156 5.234 1.00 0.00 N ATOM 1163 CA THR A 86 10.702 2.786 3.971 1.00 0.00 C ATOM 1164 C THR A 86 9.704 3.899 3.687 1.00 0.00 C ATOM 1165 O THR A 86 10.072 4.996 3.269 1.00 0.00 O ATOM 1166 CB THR A 86 10.690 1.750 2.843 1.00 0.00 C ATOM 1167 OG1 THR A 86 11.951 1.116 2.731 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.345 2.323 1.484 1.00 0.00 C ATOM 0 H THR A 86 10.067 1.183 5.153 1.00 0.00 H new ATOM 0 HA THR A 86 11.705 3.209 4.030 1.00 0.00 H new ATOM 0 HB THR A 86 9.909 1.043 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.515 1.617 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.358 1.527 0.740 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.352 2.771 1.519 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.077 3.084 1.214 1.00 0.00 H new ATOM 1176 N LEU A 87 8.434 3.605 3.951 1.00 0.00 N ATOM 1177 CA LEU A 87 7.374 4.577 3.762 1.00 0.00 C ATOM 1178 C LEU A 87 7.578 5.705 4.752 1.00 0.00 C ATOM 1179 O LEU A 87 7.677 6.868 4.377 1.00 0.00 O ATOM 1180 CB LEU A 87 6.003 3.929 3.961 1.00 0.00 C ATOM 1181 CG LEU A 87 5.647 2.845 2.943 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.512 1.976 3.460 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.275 3.472 1.607 1.00 0.00 C ATOM 0 H LEU A 87 8.119 2.699 4.297 1.00 0.00 H new ATOM 0 HA LEU A 87 7.408 4.966 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.965 3.495 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.241 4.707 3.922 1.00 0.00 H new ATOM 0 HG LEU A 87 6.522 2.212 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.274 1.211 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.815 1.499 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.632 2.595 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.024 2.687 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.416 4.129 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.118 4.050 1.229 1.00 0.00 H new ATOM 1195 N ARG A 88 7.689 5.336 6.025 1.00 0.00 N ATOM 1196 CA ARG A 88 7.936 6.307 7.078 1.00 0.00 C ATOM 1197 C ARG A 88 9.190 7.102 6.739 1.00 0.00 C ATOM 1198 O ARG A 88 9.315 8.276 7.088 1.00 0.00 O ATOM 1199 CB ARG A 88 8.103 5.607 8.428 1.00 0.00 C ATOM 1200 CG ARG A 88 6.800 5.071 8.999 1.00 0.00 C ATOM 1201 CD ARG A 88 7.039 4.240 10.250 1.00 0.00 C ATOM 1202 NE ARG A 88 6.572 4.919 11.456 1.00 0.00 N ATOM 1203 CZ ARG A 88 5.295 4.968 11.832 1.00 0.00 C ATOM 1204 NH1 ARG A 88 4.358 4.381 11.099 1.00 0.00 N ATOM 1205 NH2 ARG A 88 4.956 5.605 12.944 1.00 0.00 N ATOM 0 H ARG A 88 7.611 4.372 6.349 1.00 0.00 H new ATOM 0 HA ARG A 88 7.083 6.982 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.808 4.783 8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.541 6.307 9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.136 5.902 9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.295 4.463 8.248 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.528 3.282 10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.103 4.025 10.344 1.00 0.00 H new ATOM 0 HE ARG A 88 7.264 5.383 12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.614 3.889 10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.382 4.422 11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.673 6.057 13.511 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.978 5.643 13.232 1.00 0.00 H new ATOM 1219 N ARG A 89 10.107 6.446 6.029 1.00 0.00 N ATOM 1220 CA ARG A 89 11.349 7.079 5.611 1.00 0.00 C ATOM 1221 C ARG A 89 11.074 8.092 4.515 1.00 0.00 C ATOM 1222 O ARG A 89 11.660 9.174 4.485 1.00 0.00 O ATOM 1223 CB ARG A 89 12.341 6.032 5.104 1.00 0.00 C ATOM 1224 CG ARG A 89 13.484 5.777 6.062 1.00 0.00 C ATOM 1225 CD ARG A 89 14.592 4.969 5.408 1.00 0.00 C ATOM 1226 NE ARG A 89 15.769 4.857 6.267 1.00 0.00 N ATOM 1227 CZ ARG A 89 16.722 3.942 6.106 1.00 0.00 C ATOM 1228 NH1 ARG A 89 16.641 3.055 5.121 1.00 0.00 N ATOM 1229 NH2 ARG A 89 17.758 3.911 6.931 1.00 0.00 N ATOM 0 H ARG A 89 10.009 5.475 5.733 1.00 0.00 H new ATOM 0 HA ARG A 89 11.782 7.587 6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.811 5.097 4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.745 6.359 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.885 6.728 6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.113 5.245 6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.221 3.972 5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.875 5.438 4.465 1.00 0.00 H new ATOM 0 HE ARG A 89 15.866 5.520 7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.845 3.073 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.374 2.356 5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.826 4.589 7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.488 3.209 6.807 1.00 0.00 H new ATOM 1243 N SER A 90 10.179 7.724 3.607 1.00 0.00 N ATOM 1244 CA SER A 90 9.826 8.593 2.501 1.00 0.00 C ATOM 1245 C SER A 90 9.018 9.789 2.992 1.00 0.00 C ATOM 1246 O SER A 90 9.291 10.931 2.621 1.00 0.00 O ATOM 1247 CB SER A 90 9.035 7.820 1.444 1.00 0.00 C ATOM 1248 OG SER A 90 9.789 6.733 0.937 1.00 0.00 O ATOM 0 H SER A 90 9.687 6.830 3.618 1.00 0.00 H new ATOM 0 HA SER A 90 10.748 8.960 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.106 7.451 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.762 8.489 0.628 1.00 0.00 H new ATOM 0 HG SER A 90 9.944 6.081 1.652 1.00 0.00 H new ATOM 1254 N MET A 91 8.032 9.515 3.836 1.00 0.00 N ATOM 1255 CA MET A 91 7.185 10.562 4.394 1.00 0.00 C ATOM 1256 C MET A 91 7.975 11.439 5.360 1.00 0.00 C ATOM 1257 O MET A 91 7.596 12.576 5.638 1.00 0.00 O ATOM 1258 CB MET A 91 5.989 9.948 5.130 1.00 0.00 C ATOM 1259 CG MET A 91 5.256 8.873 4.343 1.00 0.00 C ATOM 1260 SD MET A 91 4.863 9.374 2.658 1.00 0.00 S ATOM 1261 CE MET A 91 4.326 7.811 1.971 1.00 0.00 C ATOM 0 H MET A 91 7.798 8.573 4.150 1.00 0.00 H new ATOM 0 HA MET A 91 6.825 11.176 3.569 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.336 9.520 6.070 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.285 10.742 5.381 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.868 7.971 4.314 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.334 8.616 4.864 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.817 7.986 1.023 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.192 7.170 1.806 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.641 7.324 2.666 1.00 0.00 H new ATOM 1271 N SER A 92 9.068 10.890 5.885 1.00 0.00 N ATOM 1272 CA SER A 92 9.904 11.609 6.842 1.00 0.00 C ATOM 1273 C SER A 92 10.869 12.569 6.154 1.00 0.00 C ATOM 1274 O SER A 92 10.901 13.758 6.470 1.00 0.00 O ATOM 1275 CB SER A 92 10.687 10.619 7.704 1.00 0.00 C ATOM 1276 OG SER A 92 11.465 9.747 6.902 1.00 0.00 O ATOM 0 H SER A 92 9.395 9.950 5.664 1.00 0.00 H new ATOM 0 HA SER A 92 9.240 12.201 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.336 11.164 8.390 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.996 10.037 8.314 1.00 0.00 H new ATOM 0 HG SER A 92 12.198 9.378 7.437 1.00 0.00 H new ATOM 1282 N THR A 93 11.672 12.048 5.234 1.00 0.00 N ATOM 1283 CA THR A 93 12.653 12.872 4.532 1.00 0.00 C ATOM 1284 C THR A 93 13.384 12.083 3.448 1.00 0.00 C ATOM 1285 O THR A 93 14.579 11.808 3.568 1.00 0.00 O ATOM 1286 CB THR A 93 13.668 13.415 5.533 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.614 14.250 4.891 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.426 12.316 6.244 1.00 0.00 C ATOM 0 H THR A 93 11.665 11.066 4.957 1.00 0.00 H new ATOM 0 HA THR A 93 12.119 13.691 4.050 1.00 0.00 H new ATOM 0 HB THR A 93 13.091 13.979 6.265 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.124 13.725 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.135 12.757 6.945 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.725 11.683 6.788 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.966 11.714 5.513 1.00 0.00 H new ATOM 1296 N GLU A 94 12.668 11.736 2.389 1.00 0.00 N ATOM 1297 CA GLU A 94 13.240 10.991 1.275 1.00 0.00 C ATOM 1298 C GLU A 94 12.278 11.022 0.108 1.00 0.00 C ATOM 1299 O GLU A 94 12.665 11.274 -1.032 1.00 0.00 O ATOM 1300 CB GLU A 94 13.530 9.543 1.676 1.00 0.00 C ATOM 1301 CG GLU A 94 14.745 9.390 2.571 1.00 0.00 C ATOM 1302 CD GLU A 94 15.419 8.041 2.417 1.00 0.00 C ATOM 1303 OE1 GLU A 94 14.764 7.103 1.919 1.00 0.00 O ATOM 1304 OE2 GLU A 94 16.604 7.924 2.794 1.00 0.00 O ATOM 0 H GLU A 94 11.679 11.961 2.277 1.00 0.00 H new ATOM 0 HA GLU A 94 14.183 11.457 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.659 9.136 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.676 8.948 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.462 10.178 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.445 9.525 3.610 1.00 0.00 H new ATOM 1311 N GLY A 95 11.010 10.798 0.414 1.00 0.00 N ATOM 1312 CA GLY A 95 9.989 10.838 -0.602 1.00 0.00 C ATOM 1313 C GLY A 95 9.561 12.263 -0.860 1.00 0.00 C ATOM 1314 O GLY A 95 9.165 12.611 -1.970 1.00 0.00 O ATOM 0 H GLY A 95 10.672 10.589 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.365 10.392 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.130 10.245 -0.288 1.00 0.00 H new ATOM 1318 N ASN A 96 9.666 13.092 0.176 1.00 0.00 N ATOM 1319 CA ASN A 96 9.310 14.499 0.074 1.00 0.00 C ATOM 1320 C ASN A 96 10.475 15.280 -0.535 1.00 0.00 C ATOM 1321 O ASN A 96 10.658 15.275 -1.750 1.00 0.00 O ATOM 1322 CB ASN A 96 8.935 15.050 1.459 1.00 0.00 C ATOM 1323 CG ASN A 96 8.720 16.553 1.460 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.139 17.072 0.385 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.072 17.239 2.419 1.00 0.00 N flip ATOM 0 H ASN A 96 9.997 12.809 1.098 1.00 0.00 H new ATOM 0 HA ASN A 96 8.443 14.610 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.026 14.558 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.723 14.801 2.169 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.515 16.799 3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.921 18.248 2.407 1.00 0.00 H new ATOM 1332 N LYS A 97 11.271 15.935 0.313 1.00 0.00 N ATOM 1333 CA LYS A 97 12.434 16.702 -0.135 1.00 0.00 C ATOM 1334 C LYS A 97 12.133 17.573 -1.365 1.00 0.00 C ATOM 1335 O LYS A 97 13.055 18.036 -2.036 1.00 0.00 O ATOM 1336 CB LYS A 97 13.585 15.743 -0.446 1.00 0.00 C ATOM 1337 CG LYS A 97 13.321 14.862 -1.652 1.00 0.00 C ATOM 1338 CD LYS A 97 14.550 14.066 -2.047 1.00 0.00 C ATOM 1339 CE LYS A 97 14.205 13.046 -3.115 1.00 0.00 C ATOM 1340 NZ LYS A 97 15.413 12.340 -3.624 1.00 0.00 N ATOM 0 H LYS A 97 11.129 15.949 1.323 1.00 0.00 H new ATOM 0 HA LYS A 97 12.710 17.379 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.494 16.320 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.768 15.112 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.501 14.179 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.003 15.480 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.323 14.740 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.959 13.560 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.504 12.317 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.701 13.545 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.132 11.652 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.071 13.032 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.881 11.842 -2.840 1.00 0.00 H new ATOM 1354 N ARG A 98 10.853 17.796 -1.661 1.00 0.00 N ATOM 1355 CA ARG A 98 10.472 18.610 -2.808 1.00 0.00 C ATOM 1356 C ARG A 98 9.011 19.050 -2.731 1.00 0.00 C ATOM 1357 O ARG A 98 8.663 20.149 -3.165 1.00 0.00 O ATOM 1358 CB ARG A 98 10.725 17.837 -4.101 1.00 0.00 C ATOM 1359 CG ARG A 98 9.840 16.611 -4.269 1.00 0.00 C ATOM 1360 CD ARG A 98 10.663 15.341 -4.438 1.00 0.00 C ATOM 1361 NE ARG A 98 11.090 15.145 -5.823 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.310 15.431 -6.278 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.238 15.926 -5.466 1.00 0.00 N ATOM 1364 NH2 ARG A 98 12.605 15.221 -7.554 1.00 0.00 N ATOM 0 H ARG A 98 10.069 17.426 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 98 11.086 19.511 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.569 18.505 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.769 17.526 -4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.189 16.510 -3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.194 16.744 -5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.539 15.388 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.075 14.482 -4.115 1.00 0.00 H new ATOM 0 HE ARG A 98 10.411 14.765 -6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.020 16.091 -4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.168 16.141 -5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.899 14.841 -8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.538 15.439 -7.904 1.00 0.00 H new ATOM 1378 N GLY A 99 8.162 18.189 -2.184 1.00 0.00 N ATOM 1379 CA GLY A 99 6.750 18.509 -2.066 1.00 0.00 C ATOM 1380 C GLY A 99 5.859 17.417 -2.627 1.00 0.00 C ATOM 1381 O GLY A 99 4.676 17.641 -2.881 1.00 0.00 O ATOM 0 H GLY A 99 8.425 17.274 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.504 18.671 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.547 19.444 -2.589 1.00 0.00 H new ATOM 1385 N MET A 100 6.431 16.231 -2.823 1.00 0.00 N ATOM 1386 CA MET A 100 5.692 15.100 -3.354 1.00 0.00 C ATOM 1387 C MET A 100 6.554 13.843 -3.358 1.00 0.00 C ATOM 1388 O MET A 100 7.780 13.925 -3.336 1.00 0.00 O ATOM 1389 CB MET A 100 5.200 15.413 -4.768 1.00 0.00 C ATOM 1390 CG MET A 100 6.262 15.266 -5.851 1.00 0.00 C ATOM 1391 SD MET A 100 5.623 14.495 -7.350 1.00 0.00 S ATOM 1392 CE MET A 100 4.971 12.965 -6.685 1.00 0.00 C ATOM 0 H MET A 100 7.411 16.033 -2.619 1.00 0.00 H new ATOM 0 HA MET A 100 4.830 14.918 -2.712 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.365 14.753 -5.003 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.816 16.433 -4.789 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.664 16.249 -6.096 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.089 14.670 -5.465 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.033 12.183 -7.442 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.553 12.671 -5.811 1.00 0.00 H new ATOM 0 HE3 MET A 100 3.930 13.108 -6.396 1.00 0.00 H new ATOM 1402 N ILE A 101 5.908 12.683 -3.389 1.00 0.00 N ATOM 1403 CA ILE A 101 6.624 11.412 -3.393 1.00 0.00 C ATOM 1404 C ILE A 101 5.932 10.395 -4.297 1.00 0.00 C ATOM 1405 O ILE A 101 4.705 10.376 -4.404 1.00 0.00 O ATOM 1406 CB ILE A 101 6.785 10.842 -1.955 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.244 9.415 -1.836 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.106 11.746 -0.936 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.374 8.846 -0.441 1.00 0.00 C ATOM 0 H ILE A 101 4.892 12.596 -3.412 1.00 0.00 H new ATOM 0 HA ILE A 101 7.621 11.603 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 101 7.854 10.809 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.194 9.405 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.777 8.771 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.232 11.327 0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.556 12.738 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.043 11.821 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.973 7.833 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.425 8.826 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.818 9.469 0.259 1.00 0.00 H new ATOM 1421 N GLN A 102 6.729 9.551 -4.946 1.00 0.00 N ATOM 1422 CA GLN A 102 6.199 8.532 -5.842 1.00 0.00 C ATOM 1423 C GLN A 102 6.202 7.167 -5.168 1.00 0.00 C ATOM 1424 O GLN A 102 7.200 6.762 -4.571 1.00 0.00 O ATOM 1425 CB GLN A 102 7.023 8.481 -7.129 1.00 0.00 C ATOM 1426 CG GLN A 102 6.444 7.551 -8.183 1.00 0.00 C ATOM 1427 CD GLN A 102 7.200 7.615 -9.496 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.775 8.283 -10.438 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.330 6.920 -9.564 1.00 0.00 N ATOM 0 H GLN A 102 7.746 9.554 -4.867 1.00 0.00 H new ATOM 0 HA GLN A 102 5.170 8.794 -6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.097 9.486 -7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.037 8.160 -6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.461 6.528 -7.808 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.400 7.810 -8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.646 6.380 -8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.882 6.927 -10.422 1.00 0.00 H new ATOM 1438 N LEU A 103 5.082 6.460 -5.264 1.00 0.00 N ATOM 1439 CA LEU A 103 4.965 5.141 -4.657 1.00 0.00 C ATOM 1440 C LEU A 103 4.221 4.176 -5.570 1.00 0.00 C ATOM 1441 O LEU A 103 3.030 4.343 -5.832 1.00 0.00 O ATOM 1442 CB LEU A 103 4.245 5.233 -3.311 1.00 0.00 C ATOM 1443 CG LEU A 103 4.570 6.474 -2.482 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.680 7.636 -2.896 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.413 6.179 -0.998 1.00 0.00 C ATOM 0 H LEU A 103 4.246 6.777 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 103 5.974 4.760 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.170 5.207 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.492 4.349 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 103 5.607 6.753 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.924 8.513 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.842 7.861 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.635 7.368 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.648 7.074 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.386 5.876 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.092 5.375 -0.713 1.00 0.00 H new ATOM 1457 N ILE A 104 4.927 3.156 -6.040 1.00 0.00 N ATOM 1458 CA ILE A 104 4.329 2.154 -6.908 1.00 0.00 C ATOM 1459 C ILE A 104 3.433 1.231 -6.100 1.00 0.00 C ATOM 1460 O ILE A 104 3.735 0.903 -4.954 1.00 0.00 O ATOM 1461 CB ILE A 104 5.388 1.313 -7.641 1.00 0.00 C ATOM 1462 CG1 ILE A 104 6.347 2.219 -8.406 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.722 0.323 -8.587 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.655 3.194 -9.334 1.00 0.00 C ATOM 0 H ILE A 104 5.914 3.002 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 104 3.744 2.688 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 104 5.957 0.751 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.952 2.778 -7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 104 7.031 1.601 -8.988 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.486 -0.263 -9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.073 -0.343 -8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.130 0.866 -9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.401 3.804 -9.843 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.072 2.643 -10.072 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.992 3.838 -8.756 1.00 0.00 H new ATOM 1476 N VAL A 105 2.328 0.821 -6.699 1.00 0.00 N ATOM 1477 CA VAL A 105 1.386 -0.058 -6.021 1.00 0.00 C ATOM 1478 C VAL A 105 0.862 -1.151 -6.944 1.00 0.00 C ATOM 1479 O VAL A 105 1.180 -1.189 -8.132 1.00 0.00 O ATOM 1480 CB VAL A 105 0.186 0.726 -5.458 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.643 1.716 -4.397 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.562 1.439 -6.575 1.00 0.00 C ATOM 0 H VAL A 105 2.060 1.080 -7.649 1.00 0.00 H new ATOM 0 HA VAL A 105 1.939 -0.517 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.497 0.017 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.219 2.260 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.127 1.178 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.349 2.420 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.406 1.987 -6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.110 2.136 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.927 0.706 -7.294 1.00 0.00 H new ATOM 1492 N ALA A 106 0.048 -2.035 -6.379 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.541 -3.133 -7.130 1.00 0.00 C ATOM 1494 C ALA A 106 -2.059 -3.119 -6.994 1.00 0.00 C ATOM 1495 O ALA A 106 -2.591 -3.032 -5.883 1.00 0.00 O ATOM 1496 CB ALA A 106 0.024 -4.464 -6.655 1.00 0.00 C ATOM 0 H ALA A 106 -0.220 -2.010 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.289 -3.006 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.427 -5.275 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.104 -4.474 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.200 -4.598 -5.597 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.750 -3.198 -8.125 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.208 -3.187 -8.136 1.00 0.00 C ATOM 1504 C ARG A 107 -4.759 -4.557 -8.515 1.00 0.00 C ATOM 1505 O ARG A 107 -4.372 -5.133 -9.532 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.721 -2.126 -9.114 1.00 0.00 C ATOM 1507 CG ARG A 107 -5.808 -1.236 -8.532 1.00 0.00 C ATOM 1508 CD ARG A 107 -7.047 -2.038 -8.161 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.497 -1.749 -6.801 1.00 0.00 N ATOM 1510 CZ ARG A 107 -8.715 -2.032 -6.348 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -9.608 -2.610 -7.143 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -9.044 -1.737 -5.098 1.00 0.00 N ATOM 0 H ARG A 107 -2.323 -3.271 -9.048 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.555 -2.943 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.885 -1.503 -9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.107 -2.621 -10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.426 -0.725 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.075 -0.466 -9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.849 -1.813 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.831 -3.102 -8.253 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.838 -1.304 -6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.361 -2.839 -8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.541 -2.825 -6.791 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.363 -1.293 -4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.978 -1.954 -4.752 1.00 0.00 H new