USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 760 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 13 LYS NZ :NH3+ 147:sc= 0.239 (180deg=-1.07) USER MOD Set 1.2: A 17 MET CE :methyl -124:sc= -0.234 (180deg=-1.62) USER MOD Set 1.3: A 77 MET CE :methyl -116:sc= -3.03! (180deg=-4.75!) USER MOD Set 1.4: A 80 THR OG1 : rot -102:sc= 1.89 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 156:sc= -0.231 (180deg=-0.842) USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0839 (180deg=-0.221) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -2.26 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.115 F(o=-0.76,f=-0.12) USER MOD Single : A 15 ASN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -129:sc= 0.106 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.067) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 0.0544 (180deg=0.00851) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 46:sc= 0.777 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.1) USER MOD Single : A 59 SER OG : rot -90:sc= 0.374 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -5.51! C(o=-5.5!,f=-9.9!) USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.989 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00119 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= 0.745 (180deg=0.11) USER MOD Single : A 91 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.037) USER MOD Single : B 101 SER OG : rot 41:sc= 0.336 USER MOD Single : B 102 THR OG1 : rot 90:sc= -2.17! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.247 2.489 -19.667 1.00 0.00 N ATOM 2 CA MET A 1 -2.996 3.546 -20.405 1.00 0.00 C ATOM 3 C MET A 1 -4.262 3.961 -19.653 1.00 0.00 C ATOM 4 O MET A 1 -4.660 3.308 -18.685 1.00 0.00 O ATOM 5 CB MET A 1 -3.351 3.017 -21.801 1.00 0.00 C ATOM 6 CG MET A 1 -4.268 1.804 -21.786 1.00 0.00 C ATOM 7 SD MET A 1 -3.586 0.403 -22.694 1.00 0.00 S ATOM 8 CE MET A 1 -4.945 -0.760 -22.592 1.00 0.00 C ATOM 0 H1 MET A 1 -1.355 2.883 -19.306 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.822 2.148 -18.871 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.041 1.697 -20.309 1.00 0.00 H new ATOM 0 HA MET A 1 -2.366 4.431 -20.492 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.829 3.814 -22.370 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.431 2.758 -22.325 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.453 1.507 -20.754 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.231 2.077 -22.217 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.676 -1.681 -23.109 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.158 -0.980 -21.546 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.830 -0.327 -23.059 1.00 0.00 H new ATOM 20 N LYS A 2 -4.887 5.054 -20.101 1.00 0.00 N ATOM 21 CA LYS A 2 -6.107 5.569 -19.472 1.00 0.00 C ATOM 22 C LYS A 2 -5.843 5.990 -18.023 1.00 0.00 C ATOM 23 O LYS A 2 -4.700 5.976 -17.562 1.00 0.00 O ATOM 24 CB LYS A 2 -7.228 4.522 -19.518 1.00 0.00 C ATOM 25 CG LYS A 2 -7.475 3.941 -20.903 1.00 0.00 C ATOM 26 CD LYS A 2 -8.158 4.945 -21.819 1.00 0.00 C ATOM 27 CE LYS A 2 -7.886 4.640 -23.285 1.00 0.00 C ATOM 28 NZ LYS A 2 -9.144 4.445 -24.062 1.00 0.00 N ATOM 0 H LYS A 2 -4.567 5.601 -20.900 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.424 6.447 -20.035 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.982 3.710 -18.833 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.150 4.976 -19.156 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.527 3.633 -21.343 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.092 3.047 -20.818 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.233 4.932 -21.637 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.807 5.950 -21.584 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.313 5.456 -23.724 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.272 3.743 -23.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.911 4.240 -25.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.680 3.649 -23.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.720 5.310 -24.013 1.00 0.00 H new ATOM 42 N GLU A 3 -6.907 6.365 -17.313 1.00 0.00 N ATOM 43 CA GLU A 3 -6.793 6.789 -15.919 1.00 0.00 C ATOM 44 C GLU A 3 -7.054 5.620 -14.973 1.00 0.00 C ATOM 45 O GLU A 3 -8.043 4.898 -15.129 1.00 0.00 O ATOM 46 CB GLU A 3 -7.777 7.926 -15.629 1.00 0.00 C ATOM 47 CG GLU A 3 -7.395 9.246 -16.282 1.00 0.00 C ATOM 48 CD GLU A 3 -8.495 10.286 -16.183 1.00 0.00 C ATOM 49 OE1 GLU A 3 -8.881 10.639 -15.049 1.00 0.00 O ATOM 50 OE2 GLU A 3 -8.970 10.748 -17.242 1.00 0.00 O ATOM 0 H GLU A 3 -7.858 6.384 -17.681 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.777 7.146 -15.754 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.769 7.633 -15.974 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.845 8.070 -14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.491 9.632 -15.810 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.158 9.073 -17.332 1.00 0.00 H new ATOM 57 N PRO A 4 -6.163 5.409 -13.977 1.00 0.00 N ATOM 58 CA PRO A 4 -6.300 4.312 -13.004 1.00 0.00 C ATOM 59 C PRO A 4 -7.568 4.433 -12.151 1.00 0.00 C ATOM 60 O PRO A 4 -8.483 5.188 -12.484 1.00 0.00 O ATOM 61 CB PRO A 4 -5.046 4.446 -12.125 1.00 0.00 C ATOM 62 CG PRO A 4 -4.096 5.274 -12.920 1.00 0.00 C ATOM 63 CD PRO A 4 -4.949 6.208 -13.726 1.00 0.00 C ATOM 0 HA PRO A 4 -6.387 3.345 -13.500 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.282 4.922 -11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.620 3.469 -11.896 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.418 5.826 -12.269 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.479 4.650 -13.567 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.174 7.124 -13.179 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.460 6.503 -14.654 1.00 0.00 H new ATOM 71 N GLU A 5 -7.614 3.684 -11.047 1.00 0.00 N ATOM 72 CA GLU A 5 -8.764 3.708 -10.151 1.00 0.00 C ATOM 73 C GLU A 5 -8.320 3.853 -8.702 1.00 0.00 C ATOM 74 O GLU A 5 -7.884 2.889 -8.069 1.00 0.00 O ATOM 75 CB GLU A 5 -9.602 2.442 -10.321 1.00 0.00 C ATOM 76 CG GLU A 5 -11.058 2.616 -9.919 1.00 0.00 C ATOM 77 CD GLU A 5 -12.010 1.921 -10.871 1.00 0.00 C ATOM 78 OE1 GLU A 5 -12.286 2.484 -11.952 1.00 0.00 O ATOM 79 OE2 GLU A 5 -12.479 0.812 -10.538 1.00 0.00 O ATOM 0 H GLU A 5 -6.866 3.055 -10.755 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.376 4.571 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.557 2.124 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.162 1.643 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.203 2.222 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.297 3.679 -9.883 1.00 0.00 H new ATOM 86 N ILE A 6 -8.439 5.068 -8.189 1.00 0.00 N ATOM 87 CA ILE A 6 -8.058 5.370 -6.814 1.00 0.00 C ATOM 88 C ILE A 6 -9.240 5.182 -5.863 1.00 0.00 C ATOM 89 O ILE A 6 -10.318 5.738 -6.083 1.00 0.00 O ATOM 90 CB ILE A 6 -7.537 6.816 -6.688 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.426 7.086 -7.711 1.00 0.00 C ATOM 92 CG2 ILE A 6 -7.048 7.090 -5.271 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.291 6.083 -7.672 1.00 0.00 C ATOM 0 H ILE A 6 -8.800 5.869 -8.708 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.263 4.676 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.363 7.495 -6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.860 7.088 -8.711 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.021 8.083 -7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.685 8.115 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.870 6.949 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.239 6.402 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.548 6.345 -8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.828 6.096 -6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.680 5.086 -7.877 1.00 0.00 H new ATOM 105 N ILE A 7 -9.027 4.401 -4.805 1.00 0.00 N ATOM 106 CA ILE A 7 -10.073 4.143 -3.816 1.00 0.00 C ATOM 107 C ILE A 7 -9.486 4.010 -2.414 1.00 0.00 C ATOM 108 O ILE A 7 -8.447 3.376 -2.223 1.00 0.00 O ATOM 109 CB ILE A 7 -10.875 2.863 -4.144 1.00 0.00 C ATOM 110 CG1 ILE A 7 -9.934 1.671 -4.357 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.757 3.081 -5.365 1.00 0.00 C ATOM 112 CD1 ILE A 7 -9.780 0.798 -3.130 1.00 0.00 C ATOM 0 H ILE A 7 -8.140 3.936 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.746 4.999 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.519 2.637 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.310 1.064 -5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.953 2.041 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.313 2.169 -5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.456 3.894 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.135 3.337 -6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.101 -0.025 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.375 1.391 -2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.753 0.399 -2.843 1.00 0.00 H new ATOM 124 N THR A 8 -10.158 4.608 -1.433 1.00 0.00 N ATOM 125 CA THR A 8 -9.701 4.551 -0.047 1.00 0.00 C ATOM 126 C THR A 8 -10.333 3.373 0.688 1.00 0.00 C ATOM 127 O THR A 8 -11.519 3.083 0.516 1.00 0.00 O ATOM 128 CB THR A 8 -10.025 5.855 0.686 1.00 0.00 C ATOM 129 OG1 THR A 8 -9.849 6.977 -0.160 1.00 0.00 O ATOM 130 CG2 THR A 8 -9.183 6.070 1.929 1.00 0.00 C ATOM 0 H THR A 8 -11.019 5.137 -1.572 1.00 0.00 H new ATOM 0 HA THR A 8 -8.620 4.414 -0.060 1.00 0.00 H new ATOM 0 HB THR A 8 -11.068 5.759 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.064 7.796 0.334 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.464 7.012 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.350 5.251 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.129 6.102 1.653 1.00 0.00 H new ATOM 138 N VAL A 9 -9.531 2.700 1.508 1.00 0.00 N ATOM 139 CA VAL A 9 -10.000 1.552 2.275 1.00 0.00 C ATOM 140 C VAL A 9 -9.857 1.803 3.774 1.00 0.00 C ATOM 141 O VAL A 9 -8.748 1.990 4.276 1.00 0.00 O ATOM 142 CB VAL A 9 -9.227 0.270 1.903 1.00 0.00 C ATOM 143 CG1 VAL A 9 -9.854 -0.946 2.568 1.00 0.00 C ATOM 144 CG2 VAL A 9 -9.177 0.095 0.392 1.00 0.00 C ATOM 0 H VAL A 9 -8.549 2.932 1.658 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.053 1.413 2.028 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.205 0.367 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.294 -1.840 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.830 -0.821 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.888 -1.049 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.628 -0.815 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.192 0.022 0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.676 0.952 -0.057 1.00 0.00 H new ATOM 154 N THR A 10 -10.986 1.806 4.480 1.00 0.00 N ATOM 155 CA THR A 10 -10.990 2.034 5.922 1.00 0.00 C ATOM 156 C THR A 10 -11.376 0.761 6.673 1.00 0.00 C ATOM 157 O THR A 10 -12.552 0.396 6.732 1.00 0.00 O ATOM 158 CB THR A 10 -11.954 3.170 6.282 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.961 4.172 5.276 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.616 3.841 7.595 1.00 0.00 C ATOM 0 H THR A 10 -11.910 1.653 4.076 1.00 0.00 H new ATOM 0 HA THR A 10 -9.982 2.319 6.222 1.00 0.00 H new ATOM 0 HB THR A 10 -12.933 2.699 6.369 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.585 4.884 5.528 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.335 4.636 7.793 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.656 3.107 8.400 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.613 4.264 7.540 1.00 0.00 H new ATOM 168 N LEU A 11 -10.376 0.090 7.243 1.00 0.00 N ATOM 169 CA LEU A 11 -10.604 -1.146 7.991 1.00 0.00 C ATOM 170 C LEU A 11 -9.899 -1.105 9.345 1.00 0.00 C ATOM 171 O LEU A 11 -8.937 -0.358 9.531 1.00 0.00 O ATOM 172 CB LEU A 11 -10.108 -2.355 7.189 1.00 0.00 C ATOM 173 CG LEU A 11 -10.644 -2.452 5.758 1.00 0.00 C ATOM 174 CD1 LEU A 11 -9.708 -3.278 4.891 1.00 0.00 C ATOM 175 CD2 LEU A 11 -12.045 -3.046 5.751 1.00 0.00 C ATOM 0 H LEU A 11 -9.399 0.382 7.201 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.677 -1.241 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.019 -2.324 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.382 -3.264 7.725 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.696 -1.446 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.106 -3.335 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.724 -2.809 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.621 -4.283 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.409 -3.107 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.019 -4.045 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.712 -2.412 6.336 1.00 0.00 H new ATOM 187 N LYS A 12 -10.379 -1.919 10.283 1.00 0.00 N ATOM 188 CA LYS A 12 -9.788 -1.985 11.617 1.00 0.00 C ATOM 189 C LYS A 12 -8.593 -2.937 11.626 1.00 0.00 C ATOM 190 O LYS A 12 -8.654 -4.025 11.051 1.00 0.00 O ATOM 191 CB LYS A 12 -10.832 -2.442 12.641 1.00 0.00 C ATOM 192 CG LYS A 12 -11.770 -1.333 13.097 1.00 0.00 C ATOM 193 CD LYS A 12 -11.155 -0.498 14.212 1.00 0.00 C ATOM 194 CE LYS A 12 -11.901 0.814 14.406 1.00 0.00 C ATOM 195 NZ LYS A 12 -11.080 1.823 15.134 1.00 0.00 N ATOM 0 H LYS A 12 -11.175 -2.541 10.144 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.442 -0.988 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.422 -3.250 12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.319 -2.852 13.511 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.011 -0.689 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.707 -1.769 13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.168 -1.066 15.142 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.110 -0.292 13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.188 1.214 13.434 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.822 0.629 14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.419 2.779 14.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.164 1.665 16.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.084 1.730 14.850 1.00 0.00 H new ATOM 209 N LYS A 13 -7.505 -2.518 12.273 1.00 0.00 N ATOM 210 CA LYS A 13 -6.291 -3.330 12.349 1.00 0.00 C ATOM 211 C LYS A 13 -6.509 -4.578 13.206 1.00 0.00 C ATOM 212 O LYS A 13 -6.405 -4.526 14.433 1.00 0.00 O ATOM 213 CB LYS A 13 -5.133 -2.502 12.917 1.00 0.00 C ATOM 214 CG LYS A 13 -3.839 -3.286 13.081 1.00 0.00 C ATOM 215 CD LYS A 13 -2.649 -2.523 12.520 1.00 0.00 C ATOM 216 CE LYS A 13 -2.364 -2.918 11.078 1.00 0.00 C ATOM 217 NZ LYS A 13 -0.904 -3.059 10.812 1.00 0.00 N ATOM 0 H LYS A 13 -7.440 -1.620 12.752 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.041 -3.652 11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.951 -1.651 12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.428 -2.099 13.886 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.672 -3.497 14.137 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.928 -4.247 12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.844 -1.452 12.573 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.769 -2.718 13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.865 -3.860 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.783 -2.168 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.750 -3.806 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.528 -2.159 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.413 -3.311 11.694 1.00 0.00 H new ATOM 231 N GLN A 14 -6.802 -5.699 12.552 1.00 0.00 N ATOM 232 CA GLN A 14 -7.022 -6.961 13.252 1.00 0.00 C ATOM 233 C GLN A 14 -5.782 -7.853 13.148 1.00 0.00 C ATOM 234 O GLN A 14 -5.541 -8.497 12.126 1.00 0.00 O ATOM 235 CB GLN A 14 -8.279 -7.659 12.708 1.00 0.00 C ATOM 236 CG GLN A 14 -8.138 -8.231 11.304 1.00 0.00 C ATOM 237 CD GLN A 14 -8.292 -9.739 11.283 1.00 0.00 C ATOM 238 OE1 GLN A 14 -7.634 -10.414 12.219 1.00 0.00 O flip ATOM 239 NE2 GLN A 14 -8.994 -10.290 10.436 1.00 0.00 N flip ATOM 0 H GLN A 14 -6.893 -5.759 11.538 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.190 -6.759 14.310 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.551 -8.466 13.388 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.104 -6.946 12.713 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.888 -7.782 10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.162 -7.961 10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.481 -9.731 9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.089 -11.306 10.434 1.00 0.00 H new ATOM 248 N ASN A 15 -4.980 -7.863 14.218 1.00 0.00 N ATOM 249 CA ASN A 15 -3.743 -8.649 14.262 1.00 0.00 C ATOM 250 C ASN A 15 -2.831 -8.301 13.080 1.00 0.00 C ATOM 251 O ASN A 15 -2.136 -9.166 12.542 1.00 0.00 O ATOM 252 CB ASN A 15 -4.055 -10.152 14.274 1.00 0.00 C ATOM 253 CG ASN A 15 -4.382 -10.666 15.667 1.00 0.00 C ATOM 254 OD1 ASN A 15 -4.126 -9.994 16.667 1.00 0.00 O ATOM 255 ND2 ASN A 15 -4.950 -11.866 15.742 1.00 0.00 N ATOM 0 H ASN A 15 -5.167 -7.333 15.069 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.218 -8.398 15.184 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.896 -10.351 13.610 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.200 -10.701 13.879 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.190 -12.261 16.651 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.146 -12.392 14.890 1.00 0.00 H new ATOM 262 N GLY A 16 -2.841 -7.025 12.682 1.00 0.00 N ATOM 263 CA GLY A 16 -2.017 -6.584 11.570 1.00 0.00 C ATOM 264 C GLY A 16 -2.756 -6.636 10.247 1.00 0.00 C ATOM 265 O GLY A 16 -3.955 -6.922 10.209 1.00 0.00 O ATOM 0 H GLY A 16 -3.406 -6.293 13.112 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.678 -5.564 11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.127 -7.210 11.511 1.00 0.00 H new ATOM 269 N MET A 17 -2.042 -6.357 9.159 1.00 0.00 N ATOM 270 CA MET A 17 -2.639 -6.372 7.826 1.00 0.00 C ATOM 271 C MET A 17 -2.261 -7.645 7.068 1.00 0.00 C ATOM 272 O MET A 17 -3.076 -8.194 6.326 1.00 0.00 O ATOM 273 CB MET A 17 -2.209 -5.136 7.026 1.00 0.00 C ATOM 274 CG MET A 17 -2.611 -3.820 7.678 1.00 0.00 C ATOM 275 SD MET A 17 -2.517 -2.425 6.539 1.00 0.00 S ATOM 276 CE MET A 17 -0.865 -1.824 6.877 1.00 0.00 C ATOM 0 H MET A 17 -1.050 -6.118 9.174 1.00 0.00 H new ATOM 0 HA MET A 17 -3.722 -6.353 7.947 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.127 -5.154 6.899 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.648 -5.187 6.029 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.628 -3.904 8.061 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.963 -3.630 8.534 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.911 -0.772 7.159 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.428 -2.400 7.693 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.248 -1.933 5.985 1.00 0.00 H new ATOM 286 N GLY A 18 -1.023 -8.108 7.260 1.00 0.00 N ATOM 287 CA GLY A 18 -0.564 -9.312 6.590 1.00 0.00 C ATOM 288 C GLY A 18 -0.549 -9.169 5.079 1.00 0.00 C ATOM 289 O GLY A 18 -1.463 -9.637 4.400 1.00 0.00 O ATOM 0 H GLY A 18 -0.332 -7.668 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.439 -9.557 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.210 -10.146 6.866 1.00 0.00 H new ATOM 293 N LEU A 19 0.489 -8.520 4.552 1.00 0.00 N ATOM 294 CA LEU A 19 0.622 -8.318 3.107 1.00 0.00 C ATOM 295 C LEU A 19 2.070 -7.991 2.725 1.00 0.00 C ATOM 296 O LEU A 19 2.947 -7.926 3.586 1.00 0.00 O ATOM 297 CB LEU A 19 -0.324 -7.208 2.637 1.00 0.00 C ATOM 298 CG LEU A 19 -0.059 -5.832 3.244 1.00 0.00 C ATOM 299 CD1 LEU A 19 0.802 -4.999 2.305 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.367 -5.119 3.553 1.00 0.00 C ATOM 0 H LEU A 19 1.251 -8.125 5.103 1.00 0.00 H new ATOM 0 HA LEU A 19 0.347 -9.247 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.256 -7.129 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.347 -7.501 2.871 1.00 0.00 H new ATOM 0 HG LEU A 19 0.481 -5.965 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.983 -4.020 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.753 -5.504 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.286 -4.875 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.155 -4.141 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.939 -4.994 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.945 -5.711 4.262 1.00 0.00 H new ATOM 312 N SER A 20 2.312 -7.790 1.428 1.00 0.00 N ATOM 313 CA SER A 20 3.654 -7.476 0.930 1.00 0.00 C ATOM 314 C SER A 20 3.627 -6.284 -0.029 1.00 0.00 C ATOM 315 O SER A 20 2.593 -5.984 -0.629 1.00 0.00 O ATOM 316 CB SER A 20 4.248 -8.696 0.224 1.00 0.00 C ATOM 317 OG SER A 20 4.528 -9.735 1.146 1.00 0.00 O ATOM 0 H SER A 20 1.596 -7.839 0.703 1.00 0.00 H new ATOM 0 HA SER A 20 4.276 -7.210 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.552 -9.056 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.163 -8.410 -0.295 1.00 0.00 H new ATOM 0 HG SER A 20 4.905 -10.503 0.669 1.00 0.00 H new ATOM 323 N ILE A 21 4.773 -5.609 -0.174 1.00 0.00 N ATOM 324 CA ILE A 21 4.873 -4.451 -1.066 1.00 0.00 C ATOM 325 C ILE A 21 6.228 -4.384 -1.771 1.00 0.00 C ATOM 326 O ILE A 21 7.254 -4.772 -1.208 1.00 0.00 O ATOM 327 CB ILE A 21 4.637 -3.123 -0.313 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.551 -3.022 0.913 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.177 -2.999 0.094 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.898 -2.402 0.613 1.00 0.00 C ATOM 0 H ILE A 21 5.639 -5.844 0.312 1.00 0.00 H new ATOM 0 HA ILE A 21 4.091 -4.584 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 21 4.881 -2.299 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.051 -2.432 1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.703 -4.019 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.026 -2.058 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.548 -3.020 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.909 -3.830 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.492 -2.362 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.418 -3.004 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.756 -1.392 0.228 1.00 0.00 H new ATOM 342 N VAL A 22 6.217 -3.881 -3.009 1.00 0.00 N ATOM 343 CA VAL A 22 7.436 -3.752 -3.807 1.00 0.00 C ATOM 344 C VAL A 22 7.522 -2.376 -4.470 1.00 0.00 C ATOM 345 O VAL A 22 6.546 -1.892 -5.046 1.00 0.00 O ATOM 346 CB VAL A 22 7.510 -4.836 -4.906 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.837 -4.769 -5.653 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.296 -6.221 -4.313 1.00 0.00 C ATOM 0 H VAL A 22 5.373 -3.556 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 22 8.273 -3.878 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 22 6.711 -4.643 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.862 -5.543 -6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.942 -3.790 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.657 -4.926 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.352 -6.968 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.067 -6.421 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.315 -6.267 -3.840 1.00 0.00 H new ATOM 358 N ALA A 23 8.702 -1.763 -4.398 1.00 0.00 N ATOM 359 CA ALA A 23 8.929 -0.452 -5.003 1.00 0.00 C ATOM 360 C ALA A 23 9.472 -0.600 -6.423 1.00 0.00 C ATOM 361 O ALA A 23 10.515 -1.223 -6.634 1.00 0.00 O ATOM 362 CB ALA A 23 9.887 0.368 -4.150 1.00 0.00 C ATOM 0 H ALA A 23 9.517 -2.154 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 23 7.975 0.072 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.046 1.341 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.462 0.505 -3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.840 -0.155 -4.069 1.00 0.00 H new ATOM 368 N ALA A 24 8.758 -0.028 -7.393 1.00 0.00 N ATOM 369 CA ALA A 24 9.167 -0.101 -8.795 1.00 0.00 C ATOM 370 C ALA A 24 9.024 1.253 -9.490 1.00 0.00 C ATOM 371 O ALA A 24 8.152 2.051 -9.142 1.00 0.00 O ATOM 372 CB ALA A 24 8.350 -1.158 -9.525 1.00 0.00 C ATOM 0 H ALA A 24 7.894 0.491 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 24 10.220 -0.380 -8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.663 -1.204 -10.568 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.509 -2.129 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.292 -0.899 -9.475 1.00 0.00 H new ATOM 378 N LYS A 25 9.888 1.501 -10.476 1.00 0.00 N ATOM 379 CA LYS A 25 9.865 2.757 -11.226 1.00 0.00 C ATOM 380 C LYS A 25 9.444 2.528 -12.679 1.00 0.00 C ATOM 381 O LYS A 25 9.175 1.396 -13.088 1.00 0.00 O ATOM 382 CB LYS A 25 11.245 3.425 -11.179 1.00 0.00 C ATOM 383 CG LYS A 25 11.207 4.877 -10.729 1.00 0.00 C ATOM 384 CD LYS A 25 12.598 5.398 -10.406 1.00 0.00 C ATOM 385 CE LYS A 25 12.587 6.897 -10.143 1.00 0.00 C ATOM 386 NZ LYS A 25 12.991 7.681 -11.345 1.00 0.00 N ATOM 0 H LYS A 25 10.613 0.848 -10.774 1.00 0.00 H new ATOM 0 HA LYS A 25 9.131 3.414 -10.760 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.889 2.861 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.698 3.373 -12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.761 5.490 -11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.570 4.970 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.988 4.877 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.271 5.178 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.588 7.202 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.263 7.125 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.740 8.354 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.346 7.034 -12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.169 8.203 -11.712 1.00 0.00 H new ATOM 400 N GLY A 26 9.394 3.612 -13.456 1.00 0.00 N ATOM 401 CA GLY A 26 9.012 3.521 -14.852 1.00 0.00 C ATOM 402 C GLY A 26 9.393 4.766 -15.619 1.00 0.00 C ATOM 403 O GLY A 26 10.464 5.337 -15.393 1.00 0.00 O ATOM 0 H GLY A 26 9.614 4.556 -13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.492 2.654 -15.305 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.936 3.364 -14.925 1.00 0.00 H new ATOM 407 N ALA A 27 8.516 5.199 -16.513 1.00 0.00 N ATOM 408 CA ALA A 27 8.770 6.397 -17.299 1.00 0.00 C ATOM 409 C ALA A 27 7.872 7.543 -16.844 1.00 0.00 C ATOM 410 O ALA A 27 6.734 7.323 -16.425 1.00 0.00 O ATOM 411 CB ALA A 27 8.575 6.122 -18.784 1.00 0.00 C ATOM 0 H ALA A 27 7.626 4.741 -16.711 1.00 0.00 H new ATOM 0 HA ALA A 27 9.807 6.691 -17.140 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.770 7.032 -19.351 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.265 5.340 -19.103 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.550 5.796 -18.962 1.00 0.00 H new ATOM 417 N GLY A 28 8.398 8.766 -16.914 1.00 0.00 N ATOM 418 CA GLY A 28 7.636 9.928 -16.488 1.00 0.00 C ATOM 419 C GLY A 28 7.247 9.835 -15.026 1.00 0.00 C ATOM 420 O GLY A 28 6.121 10.166 -14.650 1.00 0.00 O ATOM 0 H GLY A 28 9.336 8.971 -17.258 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.225 10.830 -16.652 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.738 10.019 -17.099 1.00 0.00 H new ATOM 424 N GLN A 29 8.185 9.364 -14.204 1.00 0.00 N ATOM 425 CA GLN A 29 7.948 9.203 -12.779 1.00 0.00 C ATOM 426 C GLN A 29 9.118 9.745 -11.966 1.00 0.00 C ATOM 427 O GLN A 29 10.187 9.131 -11.915 1.00 0.00 O ATOM 428 CB GLN A 29 7.731 7.727 -12.450 1.00 0.00 C ATOM 429 CG GLN A 29 6.876 7.496 -11.215 1.00 0.00 C ATOM 430 CD GLN A 29 5.573 6.792 -11.534 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.502 7.219 -11.103 1.00 0.00 O ATOM 432 NE2 GLN A 29 5.656 5.705 -12.296 1.00 0.00 N ATOM 0 H GLN A 29 9.119 9.088 -14.508 1.00 0.00 H new ATOM 0 HA GLN A 29 7.054 9.769 -12.516 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.260 7.239 -13.303 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.700 7.250 -12.305 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.438 6.903 -10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.661 8.454 -10.742 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.565 5.386 -12.632 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.811 5.191 -12.544 1.00 0.00 H new ATOM 441 N ASP A 30 8.908 10.892 -11.325 1.00 0.00 N ATOM 442 CA ASP A 30 9.946 11.509 -10.504 1.00 0.00 C ATOM 443 C ASP A 30 9.849 11.047 -9.046 1.00 0.00 C ATOM 444 O ASP A 30 10.381 11.697 -8.143 1.00 0.00 O ATOM 445 CB ASP A 30 9.845 13.035 -10.586 1.00 0.00 C ATOM 446 CG ASP A 30 11.205 13.704 -10.584 1.00 0.00 C ATOM 447 OD1 ASP A 30 11.819 13.793 -9.500 1.00 0.00 O ATOM 448 OD2 ASP A 30 11.655 14.138 -11.664 1.00 0.00 O ATOM 0 H ASP A 30 8.031 11.412 -11.358 1.00 0.00 H new ATOM 0 HA ASP A 30 10.915 11.195 -10.891 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.308 13.313 -11.493 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.260 13.404 -9.743 1.00 0.00 H new ATOM 453 N LYS A 31 9.172 9.918 -8.828 1.00 0.00 N ATOM 454 CA LYS A 31 9.003 9.358 -7.490 1.00 0.00 C ATOM 455 C LYS A 31 8.966 7.829 -7.549 1.00 0.00 C ATOM 456 O LYS A 31 9.224 7.234 -8.598 1.00 0.00 O ATOM 457 CB LYS A 31 7.712 9.890 -6.851 1.00 0.00 C ATOM 458 CG LYS A 31 7.610 11.408 -6.837 1.00 0.00 C ATOM 459 CD LYS A 31 8.503 12.018 -5.767 1.00 0.00 C ATOM 460 CE LYS A 31 8.227 13.503 -5.586 1.00 0.00 C ATOM 461 NZ LYS A 31 8.265 13.905 -4.151 1.00 0.00 N ATOM 0 H LYS A 31 8.730 9.372 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 31 9.853 9.663 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.857 9.483 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.647 9.522 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.891 11.801 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.576 11.702 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.344 11.500 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.549 11.872 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.964 14.080 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.250 13.744 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.756 14.804 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.812 13.169 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.253 14.023 -3.850 1.00 0.00 H new ATOM 475 N LEU A 32 8.643 7.196 -6.420 1.00 0.00 N ATOM 476 CA LEU A 32 8.570 5.740 -6.351 1.00 0.00 C ATOM 477 C LEU A 32 7.190 5.286 -5.884 1.00 0.00 C ATOM 478 O LEU A 32 6.617 5.863 -4.956 1.00 0.00 O ATOM 479 CB LEU A 32 9.650 5.188 -5.414 1.00 0.00 C ATOM 480 CG LEU A 32 10.589 4.153 -6.046 1.00 0.00 C ATOM 481 CD1 LEU A 32 9.796 3.015 -6.673 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.491 4.811 -7.083 1.00 0.00 C ATOM 0 H LEU A 32 8.428 7.670 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 32 8.742 5.348 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.248 6.020 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.163 4.735 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 32 11.216 3.737 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.483 2.293 -7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.197 2.523 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.140 3.412 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.150 4.061 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.879 5.258 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.090 5.586 -6.605 1.00 0.00 H new ATOM 494 N GLY A 33 6.661 4.250 -6.534 1.00 0.00 N ATOM 495 CA GLY A 33 5.352 3.735 -6.175 1.00 0.00 C ATOM 496 C GLY A 33 5.431 2.470 -5.342 1.00 0.00 C ATOM 497 O GLY A 33 6.065 1.493 -5.748 1.00 0.00 O ATOM 0 H GLY A 33 7.117 3.759 -7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.805 4.497 -5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.784 3.533 -7.083 1.00 0.00 H new ATOM 501 N ILE A 34 4.786 2.485 -4.177 1.00 0.00 N ATOM 502 CA ILE A 34 4.783 1.327 -3.284 1.00 0.00 C ATOM 503 C ILE A 34 3.692 0.337 -3.686 1.00 0.00 C ATOM 504 O ILE A 34 2.583 0.363 -3.152 1.00 0.00 O ATOM 505 CB ILE A 34 4.580 1.742 -1.811 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.463 2.944 -1.465 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.876 0.574 -0.879 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.942 2.705 -1.699 1.00 0.00 C ATOM 0 H ILE A 34 4.259 3.286 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 34 5.759 0.850 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 34 3.538 2.031 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.144 3.800 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.308 3.207 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.727 0.887 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.205 -0.254 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.908 0.252 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.502 3.601 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.277 1.870 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.111 2.472 -2.750 1.00 0.00 H new ATOM 520 N TYR A 35 4.017 -0.528 -4.640 1.00 0.00 N ATOM 521 CA TYR A 35 3.075 -1.529 -5.135 1.00 0.00 C ATOM 522 C TYR A 35 2.948 -2.707 -4.167 1.00 0.00 C ATOM 523 O TYR A 35 3.732 -2.834 -3.227 1.00 0.00 O ATOM 524 CB TYR A 35 3.524 -2.021 -6.512 1.00 0.00 C ATOM 525 CG TYR A 35 3.713 -0.903 -7.512 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.625 -0.181 -7.985 1.00 0.00 C ATOM 527 CD2 TYR A 35 4.978 -0.565 -7.978 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.790 0.842 -8.896 1.00 0.00 C ATOM 529 CE2 TYR A 35 5.151 0.459 -8.890 1.00 0.00 C ATOM 530 CZ TYR A 35 4.055 1.159 -9.346 1.00 0.00 C ATOM 531 OH TYR A 35 4.222 2.178 -10.255 1.00 0.00 O ATOM 0 H TYR A 35 4.932 -0.557 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 35 2.093 -1.063 -5.217 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.461 -2.568 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.786 -2.724 -6.898 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.633 -0.424 -7.634 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.839 -1.111 -7.622 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.933 1.392 -9.255 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.140 0.709 -9.244 1.00 0.00 H new ATOM 0 HH TYR A 35 5.174 2.274 -10.468 1.00 0.00 H new ATOM 541 N VAL A 36 1.952 -3.561 -4.403 1.00 0.00 N ATOM 542 CA VAL A 36 1.714 -4.727 -3.551 1.00 0.00 C ATOM 543 C VAL A 36 2.186 -6.015 -4.224 1.00 0.00 C ATOM 544 O VAL A 36 1.825 -6.298 -5.367 1.00 0.00 O ATOM 545 CB VAL A 36 0.217 -4.869 -3.195 1.00 0.00 C ATOM 546 CG1 VAL A 36 0.003 -5.987 -2.184 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.343 -3.555 -2.667 1.00 0.00 C ATOM 0 H VAL A 36 1.296 -3.467 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 36 2.287 -4.568 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.321 -5.127 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.058 -6.067 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.354 -6.930 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.560 -5.766 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.398 -3.681 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.204 -3.260 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.236 -2.782 -3.428 1.00 0.00 H new ATOM 557 N LYS A 37 2.984 -6.797 -3.498 1.00 0.00 N ATOM 558 CA LYS A 37 3.499 -8.066 -4.011 1.00 0.00 C ATOM 559 C LYS A 37 2.473 -9.180 -3.817 1.00 0.00 C ATOM 560 O LYS A 37 2.225 -9.969 -4.728 1.00 0.00 O ATOM 561 CB LYS A 37 4.808 -8.436 -3.305 1.00 0.00 C ATOM 562 CG LYS A 37 5.491 -9.669 -3.884 1.00 0.00 C ATOM 563 CD LYS A 37 6.890 -9.354 -4.392 1.00 0.00 C ATOM 564 CE LYS A 37 7.724 -10.615 -4.570 1.00 0.00 C ATOM 565 NZ LYS A 37 8.706 -10.486 -5.685 1.00 0.00 N ATOM 0 H LYS A 37 3.288 -6.573 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 37 3.692 -7.949 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.494 -7.591 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.604 -8.608 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.548 -10.445 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.889 -10.068 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.821 -8.827 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.389 -8.684 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.255 -10.832 -3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.064 -11.461 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.252 -11.367 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.199 -10.305 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.353 -9.696 -5.488 1.00 0.00 H new ATOM 579 N SER A 38 1.881 -9.236 -2.621 1.00 0.00 N ATOM 580 CA SER A 38 0.878 -10.252 -2.301 1.00 0.00 C ATOM 581 C SER A 38 0.195 -9.949 -0.965 1.00 0.00 C ATOM 582 O SER A 38 0.553 -8.990 -0.280 1.00 0.00 O ATOM 583 CB SER A 38 1.518 -11.644 -2.257 1.00 0.00 C ATOM 584 OG SER A 38 1.365 -12.316 -3.495 1.00 0.00 O ATOM 0 H SER A 38 2.080 -8.588 -1.858 1.00 0.00 H new ATOM 0 HA SER A 38 0.122 -10.234 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.578 -11.553 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.061 -12.233 -1.461 1.00 0.00 H new ATOM 0 HG SER A 38 1.593 -11.707 -4.228 1.00 0.00 H new ATOM 590 N VAL A 39 -0.786 -10.777 -0.600 1.00 0.00 N ATOM 591 CA VAL A 39 -1.514 -10.601 0.655 1.00 0.00 C ATOM 592 C VAL A 39 -1.381 -11.842 1.537 1.00 0.00 C ATOM 593 O VAL A 39 -1.639 -12.962 1.092 1.00 0.00 O ATOM 594 CB VAL A 39 -3.013 -10.306 0.416 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.694 -9.894 1.715 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.193 -9.226 -0.644 1.00 0.00 C ATOM 0 H VAL A 39 -1.093 -11.575 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.070 -9.743 1.160 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.482 -11.221 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.748 -9.691 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.605 -10.700 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.217 -8.996 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.256 -9.037 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.704 -8.309 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.748 -9.559 -1.582 1.00 0.00 H new ATOM 606 N VAL A 40 -0.973 -11.632 2.786 1.00 0.00 N ATOM 607 CA VAL A 40 -0.797 -12.728 3.735 1.00 0.00 C ATOM 608 C VAL A 40 -2.116 -13.081 4.422 1.00 0.00 C ATOM 609 O VAL A 40 -2.773 -12.219 5.008 1.00 0.00 O ATOM 610 CB VAL A 40 0.256 -12.380 4.812 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.587 -13.603 5.654 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.516 -11.810 4.174 1.00 0.00 C ATOM 0 H VAL A 40 -0.758 -10.710 3.165 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.448 -13.587 3.162 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.167 -11.618 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.330 -13.337 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.317 -13.960 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.985 -14.389 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.242 -11.573 4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.942 -12.545 3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.266 -10.904 3.622 1.00 0.00 H new ATOM 622 N LYS A 41 -2.493 -14.358 4.346 1.00 0.00 N ATOM 623 CA LYS A 41 -3.729 -14.838 4.960 1.00 0.00 C ATOM 624 C LYS A 41 -3.691 -14.663 6.475 1.00 0.00 C ATOM 625 O LYS A 41 -2.642 -14.823 7.101 1.00 0.00 O ATOM 626 CB LYS A 41 -3.955 -16.314 4.616 1.00 0.00 C ATOM 627 CG LYS A 41 -4.851 -16.534 3.406 1.00 0.00 C ATOM 628 CD LYS A 41 -4.263 -15.907 2.149 1.00 0.00 C ATOM 629 CE LYS A 41 -4.343 -16.850 0.958 1.00 0.00 C ATOM 630 NZ LYS A 41 -5.749 -17.092 0.526 1.00 0.00 N ATOM 0 H LYS A 41 -1.957 -15.080 3.863 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.553 -14.245 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.990 -16.786 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.396 -16.815 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.993 -17.603 3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.835 -16.107 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.796 -14.985 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.223 -15.637 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.776 -16.432 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.875 -17.800 1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.756 -17.740 -0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.285 -17.516 1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.189 -16.190 0.254 1.00 0.00 H new ATOM 644 N GLY A 42 -4.842 -14.336 7.056 1.00 0.00 N ATOM 645 CA GLY A 42 -4.921 -14.144 8.495 1.00 0.00 C ATOM 646 C GLY A 42 -4.862 -12.682 8.906 1.00 0.00 C ATOM 647 O GLY A 42 -5.208 -12.341 10.039 1.00 0.00 O ATOM 0 H GLY A 42 -5.721 -14.200 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.849 -14.582 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.103 -14.683 8.973 1.00 0.00 H new ATOM 651 N GLY A 43 -4.430 -11.814 7.989 1.00 0.00 N ATOM 652 CA GLY A 43 -4.345 -10.399 8.293 1.00 0.00 C ATOM 653 C GLY A 43 -5.703 -9.718 8.311 1.00 0.00 C ATOM 654 O GLY A 43 -6.721 -10.352 8.595 1.00 0.00 O ATOM 0 H GLY A 43 -4.139 -12.068 7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.865 -10.269 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.709 -9.911 7.555 1.00 0.00 H new ATOM 658 N ALA A 44 -5.716 -8.422 8.011 1.00 0.00 N ATOM 659 CA ALA A 44 -6.953 -7.644 7.997 1.00 0.00 C ATOM 660 C ALA A 44 -7.546 -7.557 6.592 1.00 0.00 C ATOM 661 O ALA A 44 -8.672 -7.999 6.359 1.00 0.00 O ATOM 662 CB ALA A 44 -6.705 -6.249 8.555 1.00 0.00 C ATOM 0 H ALA A 44 -4.881 -7.886 7.773 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.676 -8.157 8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.635 -5.680 8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.345 -6.326 9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.958 -5.741 7.945 1.00 0.00 H new ATOM 668 N ALA A 45 -6.784 -6.981 5.661 1.00 0.00 N ATOM 669 CA ALA A 45 -7.239 -6.833 4.278 1.00 0.00 C ATOM 670 C ALA A 45 -7.503 -8.186 3.618 1.00 0.00 C ATOM 671 O ALA A 45 -8.311 -8.281 2.693 1.00 0.00 O ATOM 672 CB ALA A 45 -6.222 -6.046 3.467 1.00 0.00 C ATOM 0 H ALA A 45 -5.851 -6.610 5.839 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.181 -6.286 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.575 -5.945 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.094 -5.057 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.267 -6.572 3.472 1.00 0.00 H new ATOM 678 N ASP A 46 -6.821 -9.231 4.091 1.00 0.00 N ATOM 679 CA ASP A 46 -6.998 -10.569 3.535 1.00 0.00 C ATOM 680 C ASP A 46 -8.346 -11.150 3.949 1.00 0.00 C ATOM 681 O ASP A 46 -9.087 -11.675 3.118 1.00 0.00 O ATOM 682 CB ASP A 46 -5.868 -11.499 3.987 1.00 0.00 C ATOM 683 CG ASP A 46 -5.641 -12.645 3.020 1.00 0.00 C ATOM 684 OD1 ASP A 46 -6.552 -13.489 2.871 1.00 0.00 O ATOM 685 OD2 ASP A 46 -4.552 -12.702 2.412 1.00 0.00 O ATOM 0 H ASP A 46 -6.145 -9.175 4.853 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.970 -10.487 2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.947 -10.925 4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.104 -11.900 4.973 1.00 0.00 H new ATOM 690 N VAL A 47 -8.658 -11.052 5.240 1.00 0.00 N ATOM 691 CA VAL A 47 -9.919 -11.569 5.766 1.00 0.00 C ATOM 692 C VAL A 47 -11.096 -10.682 5.357 1.00 0.00 C ATOM 693 O VAL A 47 -12.181 -11.180 5.057 1.00 0.00 O ATOM 694 CB VAL A 47 -9.880 -11.696 7.304 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.136 -12.384 7.823 1.00 0.00 C ATOM 696 CG2 VAL A 47 -8.633 -12.449 7.747 1.00 0.00 C ATOM 0 H VAL A 47 -8.055 -10.620 5.940 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.058 -12.561 5.336 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.844 -10.692 7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.086 -12.462 8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.013 -11.801 7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.209 -13.382 7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.623 -12.529 8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.637 -13.448 7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.746 -11.911 7.414 1.00 0.00 H new ATOM 706 N ASP A 48 -10.875 -9.368 5.342 1.00 0.00 N ATOM 707 CA ASP A 48 -11.921 -8.422 4.964 1.00 0.00 C ATOM 708 C ASP A 48 -12.149 -8.429 3.453 1.00 0.00 C ATOM 709 O ASP A 48 -13.290 -8.443 2.990 1.00 0.00 O ATOM 710 CB ASP A 48 -11.557 -7.010 5.429 1.00 0.00 C ATOM 711 CG ASP A 48 -12.093 -6.701 6.813 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.253 -6.249 6.913 1.00 0.00 O ATOM 713 OD2 ASP A 48 -11.353 -6.912 7.797 1.00 0.00 O ATOM 0 H ASP A 48 -9.984 -8.937 5.587 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.845 -8.732 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.473 -6.899 5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.952 -6.283 4.719 1.00 0.00 H new ATOM 718 N GLY A 49 -11.055 -8.415 2.691 1.00 0.00 N ATOM 719 CA GLY A 49 -11.153 -8.417 1.241 1.00 0.00 C ATOM 720 C GLY A 49 -11.088 -7.019 0.653 1.00 0.00 C ATOM 721 O GLY A 49 -12.065 -6.538 0.074 1.00 0.00 O ATOM 0 H GLY A 49 -10.102 -8.402 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.345 -9.020 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.089 -8.890 0.944 1.00 0.00 H new ATOM 725 N ARG A 50 -9.935 -6.363 0.801 1.00 0.00 N ATOM 726 CA ARG A 50 -9.751 -5.010 0.277 1.00 0.00 C ATOM 727 C ARG A 50 -8.349 -4.825 -0.311 1.00 0.00 C ATOM 728 O ARG A 50 -7.800 -3.721 -0.288 1.00 0.00 O ATOM 729 CB ARG A 50 -10.001 -3.977 1.381 1.00 0.00 C ATOM 730 CG ARG A 50 -11.475 -3.714 1.649 1.00 0.00 C ATOM 731 CD ARG A 50 -12.101 -2.860 0.556 1.00 0.00 C ATOM 732 NE ARG A 50 -12.820 -3.667 -0.431 1.00 0.00 N ATOM 733 CZ ARG A 50 -13.640 -3.163 -1.356 1.00 0.00 C ATOM 734 NH1 ARG A 50 -13.852 -1.852 -1.431 1.00 0.00 N ATOM 735 NH2 ARG A 50 -14.251 -3.973 -2.215 1.00 0.00 N ATOM 0 H ARG A 50 -9.118 -6.746 1.278 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.474 -4.860 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.529 -4.320 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.518 -3.040 1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.007 -4.663 1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.587 -3.214 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.787 -2.143 1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.322 -2.285 0.055 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.686 -4.678 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.386 -1.222 -0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.480 -1.477 -2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.093 -4.980 -2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.878 -3.588 -2.922 1.00 0.00 H new ATOM 749 N LEU A 51 -7.778 -5.908 -0.846 1.00 0.00 N ATOM 750 CA LEU A 51 -6.445 -5.859 -1.445 1.00 0.00 C ATOM 751 C LEU A 51 -6.266 -6.952 -2.495 1.00 0.00 C ATOM 752 O LEU A 51 -7.108 -7.842 -2.632 1.00 0.00 O ATOM 753 CB LEU A 51 -5.364 -6.006 -0.370 1.00 0.00 C ATOM 754 CG LEU A 51 -4.798 -4.691 0.166 1.00 0.00 C ATOM 755 CD1 LEU A 51 -3.787 -4.958 1.270 1.00 0.00 C ATOM 756 CD2 LEU A 51 -4.160 -3.883 -0.958 1.00 0.00 C ATOM 0 H LEU A 51 -8.219 -6.827 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.343 -4.889 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.778 -6.572 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.544 -6.596 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.620 -4.108 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.394 -4.011 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.272 -5.493 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.969 -5.561 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.763 -2.951 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.350 -4.459 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.910 -3.661 -1.717 1.00 0.00 H new ATOM 768 N ALA A 52 -5.154 -6.877 -3.229 1.00 0.00 N ATOM 769 CA ALA A 52 -4.845 -7.858 -4.265 1.00 0.00 C ATOM 770 C ALA A 52 -3.401 -7.721 -4.739 1.00 0.00 C ATOM 771 O ALA A 52 -2.882 -6.610 -4.862 1.00 0.00 O ATOM 772 CB ALA A 52 -5.801 -7.712 -5.439 1.00 0.00 C ATOM 0 H ALA A 52 -4.452 -6.144 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.968 -8.851 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.556 -8.451 -6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.824 -7.869 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.709 -6.711 -5.861 1.00 0.00 H new ATOM 778 N ALA A 53 -2.758 -8.857 -5.004 1.00 0.00 N ATOM 779 CA ALA A 53 -1.373 -8.864 -5.466 1.00 0.00 C ATOM 780 C ALA A 53 -1.241 -8.130 -6.800 1.00 0.00 C ATOM 781 O ALA A 53 -1.823 -8.544 -7.804 1.00 0.00 O ATOM 782 CB ALA A 53 -0.862 -10.292 -5.593 1.00 0.00 C ATOM 0 H ALA A 53 -3.174 -9.783 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.765 -8.341 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.172 -10.279 -5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.914 -10.785 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.477 -10.836 -6.310 1.00 0.00 H new ATOM 788 N GLY A 54 -0.478 -7.038 -6.799 1.00 0.00 N ATOM 789 CA GLY A 54 -0.288 -6.257 -8.011 1.00 0.00 C ATOM 790 C GLY A 54 -1.028 -4.929 -7.973 1.00 0.00 C ATOM 791 O GLY A 54 -1.463 -4.426 -9.011 1.00 0.00 O ATOM 0 H GLY A 54 0.012 -6.680 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.776 -6.072 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.631 -6.835 -8.869 1.00 0.00 H new ATOM 795 N ASP A 55 -1.169 -4.360 -6.775 1.00 0.00 N ATOM 796 CA ASP A 55 -1.859 -3.085 -6.606 1.00 0.00 C ATOM 797 C ASP A 55 -0.867 -1.961 -6.301 1.00 0.00 C ATOM 798 O ASP A 55 0.344 -2.186 -6.263 1.00 0.00 O ATOM 799 CB ASP A 55 -2.897 -3.193 -5.485 1.00 0.00 C ATOM 800 CG ASP A 55 -4.312 -3.319 -6.016 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.740 -2.434 -6.787 1.00 0.00 O ATOM 802 OD2 ASP A 55 -4.994 -4.304 -5.661 1.00 0.00 O ATOM 0 H ASP A 55 -0.814 -4.764 -5.908 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.367 -2.845 -7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.667 -4.058 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.829 -2.313 -4.845 1.00 0.00 H new ATOM 807 N GLN A 56 -1.390 -0.750 -6.089 1.00 0.00 N ATOM 808 CA GLN A 56 -0.553 0.415 -5.792 1.00 0.00 C ATOM 809 C GLN A 56 -0.979 1.084 -4.483 1.00 0.00 C ATOM 810 O GLN A 56 -2.111 0.910 -4.029 1.00 0.00 O ATOM 811 CB GLN A 56 -0.640 1.427 -6.937 1.00 0.00 C ATOM 812 CG GLN A 56 0.552 2.367 -7.017 1.00 0.00 C ATOM 813 CD GLN A 56 0.233 3.763 -6.514 1.00 0.00 C ATOM 814 OE1 GLN A 56 -0.814 4.326 -6.834 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.135 4.329 -5.721 1.00 0.00 N ATOM 0 H GLN A 56 -2.390 -0.551 -6.118 1.00 0.00 H new ATOM 0 HA GLN A 56 0.476 0.071 -5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.730 0.888 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.549 2.017 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.375 1.954 -6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.893 2.427 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.990 3.827 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.973 5.266 -5.352 1.00 0.00 H new ATOM 824 N LEU A 57 -0.068 1.856 -3.886 1.00 0.00 N ATOM 825 CA LEU A 57 -0.355 2.557 -2.634 1.00 0.00 C ATOM 826 C LEU A 57 -0.114 4.061 -2.781 1.00 0.00 C ATOM 827 O LEU A 57 1.032 4.510 -2.855 1.00 0.00 O ATOM 828 CB LEU A 57 0.506 1.996 -1.494 1.00 0.00 C ATOM 829 CG LEU A 57 0.347 0.496 -1.225 1.00 0.00 C ATOM 830 CD1 LEU A 57 1.399 0.018 -0.233 1.00 0.00 C ATOM 831 CD2 LEU A 57 -1.053 0.187 -0.710 1.00 0.00 C ATOM 0 H LEU A 57 0.873 2.011 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.406 2.398 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.553 2.198 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.266 2.539 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 57 0.491 -0.038 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.271 -1.050 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.393 0.201 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.286 0.560 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.145 -0.883 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.228 0.732 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.790 0.491 -1.454 1.00 0.00 H new ATOM 843 N LEU A 58 -1.203 4.832 -2.825 1.00 0.00 N ATOM 844 CA LEU A 58 -1.119 6.288 -2.965 1.00 0.00 C ATOM 845 C LEU A 58 -0.685 6.945 -1.654 1.00 0.00 C ATOM 846 O LEU A 58 0.386 7.551 -1.581 1.00 0.00 O ATOM 847 CB LEU A 58 -2.473 6.859 -3.413 1.00 0.00 C ATOM 848 CG LEU A 58 -2.411 7.910 -4.527 1.00 0.00 C ATOM 849 CD1 LEU A 58 -3.705 7.914 -5.328 1.00 0.00 C ATOM 850 CD2 LEU A 58 -2.139 9.292 -3.948 1.00 0.00 C ATOM 0 H LEU A 58 -2.155 4.471 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.368 6.509 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.101 6.035 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.965 7.302 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.590 7.651 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.644 8.666 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.859 6.932 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.541 8.147 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.099 10.023 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.937 9.560 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.186 9.284 -3.418 1.00 0.00 H new ATOM 862 N SER A 59 -1.524 6.825 -0.622 1.00 0.00 N ATOM 863 CA SER A 59 -1.225 7.412 0.683 1.00 0.00 C ATOM 864 C SER A 59 -1.799 6.569 1.819 1.00 0.00 C ATOM 865 O SER A 59 -2.724 5.777 1.617 1.00 0.00 O ATOM 866 CB SER A 59 -1.782 8.837 0.767 1.00 0.00 C ATOM 867 OG SER A 59 -1.031 9.728 -0.040 1.00 0.00 O ATOM 0 H SER A 59 -2.413 6.327 -0.666 1.00 0.00 H new ATOM 0 HA SER A 59 -0.141 7.439 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.824 8.843 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.764 9.177 1.802 1.00 0.00 H new ATOM 0 HG SER A 59 -0.299 10.110 0.488 1.00 0.00 H new ATOM 873 N VAL A 60 -1.242 6.750 3.017 1.00 0.00 N ATOM 874 CA VAL A 60 -1.689 6.015 4.196 1.00 0.00 C ATOM 875 C VAL A 60 -2.003 6.971 5.345 1.00 0.00 C ATOM 876 O VAL A 60 -1.162 7.787 5.730 1.00 0.00 O ATOM 877 CB VAL A 60 -0.628 4.994 4.658 1.00 0.00 C ATOM 878 CG1 VAL A 60 -1.155 4.145 5.806 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.191 4.117 3.492 1.00 0.00 C ATOM 0 H VAL A 60 -0.478 7.402 3.195 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.595 5.477 3.916 1.00 0.00 H new ATOM 0 HB VAL A 60 0.241 5.543 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.389 3.433 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.411 4.789 6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.043 3.604 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.557 3.402 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.053 3.579 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.236 4.741 2.707 1.00 0.00 H new ATOM 889 N ASP A 61 -3.220 6.868 5.881 1.00 0.00 N ATOM 890 CA ASP A 61 -3.661 7.725 6.983 1.00 0.00 C ATOM 891 C ASP A 61 -3.523 9.208 6.619 1.00 0.00 C ATOM 892 O ASP A 61 -3.232 10.044 7.477 1.00 0.00 O ATOM 893 CB ASP A 61 -2.865 7.413 8.258 1.00 0.00 C ATOM 894 CG ASP A 61 -3.098 5.999 8.760 1.00 0.00 C ATOM 895 OD1 ASP A 61 -4.226 5.707 9.212 1.00 0.00 O ATOM 896 OD2 ASP A 61 -2.153 5.185 8.704 1.00 0.00 O ATOM 0 H ASP A 61 -3.921 6.196 5.568 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.715 7.518 7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.802 7.555 8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.143 8.122 9.038 1.00 0.00 H new ATOM 901 N GLY A 62 -3.734 9.525 5.339 1.00 0.00 N ATOM 902 CA GLY A 62 -3.630 10.900 4.879 1.00 0.00 C ATOM 903 C GLY A 62 -2.207 11.436 4.920 1.00 0.00 C ATOM 904 O GLY A 62 -1.991 12.609 5.222 1.00 0.00 O ATOM 0 H GLY A 62 -3.975 8.850 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.007 10.965 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.268 11.533 5.496 1.00 0.00 H new ATOM 908 N ARG A 63 -1.233 10.577 4.612 1.00 0.00 N ATOM 909 CA ARG A 63 0.173 10.979 4.613 1.00 0.00 C ATOM 910 C ARG A 63 0.794 10.807 3.230 1.00 0.00 C ATOM 911 O ARG A 63 0.359 9.963 2.443 1.00 0.00 O ATOM 912 CB ARG A 63 0.967 10.174 5.647 1.00 0.00 C ATOM 913 CG ARG A 63 0.849 10.722 7.061 1.00 0.00 C ATOM 914 CD ARG A 63 1.202 9.673 8.106 1.00 0.00 C ATOM 915 NE ARG A 63 1.586 10.277 9.383 1.00 0.00 N ATOM 916 CZ ARG A 63 2.756 10.888 9.604 1.00 0.00 C ATOM 917 NH1 ARG A 63 3.654 10.999 8.629 1.00 0.00 N ATOM 918 NH2 ARG A 63 3.024 11.392 10.805 1.00 0.00 N ATOM 0 H ARG A 63 -1.392 9.602 4.360 1.00 0.00 H new ATOM 0 HA ARG A 63 0.215 12.035 4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.620 9.141 5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.018 10.161 5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.508 11.583 7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.168 11.075 7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.348 9.013 8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.020 9.055 7.737 1.00 0.00 H new ATOM 0 HE ARG A 63 0.919 10.229 10.153 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.453 10.617 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.543 11.466 8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.338 11.313 11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.915 11.858 10.975 1.00 0.00 H new ATOM 932 N SER A 64 1.815 11.613 2.944 1.00 0.00 N ATOM 933 CA SER A 64 2.504 11.558 1.657 1.00 0.00 C ATOM 934 C SER A 64 3.490 10.394 1.608 1.00 0.00 C ATOM 935 O SER A 64 4.445 10.344 2.385 1.00 0.00 O ATOM 936 CB SER A 64 3.243 12.872 1.388 1.00 0.00 C ATOM 937 OG SER A 64 2.344 13.967 1.342 1.00 0.00 O ATOM 0 H SER A 64 2.184 12.313 3.588 1.00 0.00 H new ATOM 0 HA SER A 64 1.750 11.405 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.986 13.041 2.168 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.783 12.802 0.444 1.00 0.00 H new ATOM 0 HG SER A 64 2.843 14.793 1.171 1.00 0.00 H new ATOM 943 N LEU A 65 3.257 9.465 0.685 1.00 0.00 N ATOM 944 CA LEU A 65 4.130 8.304 0.526 1.00 0.00 C ATOM 945 C LEU A 65 4.619 8.178 -0.918 1.00 0.00 C ATOM 946 O LEU A 65 4.852 7.071 -1.410 1.00 0.00 O ATOM 947 CB LEU A 65 3.401 7.026 0.948 1.00 0.00 C ATOM 948 CG LEU A 65 3.398 6.744 2.451 1.00 0.00 C ATOM 949 CD1 LEU A 65 2.363 5.683 2.786 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.780 6.310 2.920 1.00 0.00 C ATOM 0 H LEU A 65 2.471 9.493 0.035 1.00 0.00 H new ATOM 0 HA LEU A 65 4.998 8.445 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.369 7.085 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.860 6.180 0.437 1.00 0.00 H new ATOM 0 HG LEU A 65 3.135 7.663 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.372 5.492 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.374 6.032 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.599 4.763 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.756 6.114 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.075 5.403 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.500 7.101 2.712 1.00 0.00 H new ATOM 962 N VAL A 66 4.776 9.317 -1.594 1.00 0.00 N ATOM 963 CA VAL A 66 5.238 9.333 -2.975 1.00 0.00 C ATOM 964 C VAL A 66 6.597 10.017 -3.087 1.00 0.00 C ATOM 965 O VAL A 66 6.694 11.247 -3.086 1.00 0.00 O ATOM 966 CB VAL A 66 4.215 10.029 -3.896 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.785 10.240 -5.293 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.935 9.211 -3.953 1.00 0.00 C ATOM 0 H VAL A 66 4.588 10.240 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 66 5.342 8.297 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 66 3.989 11.012 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.041 10.732 -5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.677 10.863 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.045 9.276 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.215 9.706 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.155 8.218 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.515 9.121 -2.951 1.00 0.00 H new ATOM 978 N GLY A 67 7.641 9.200 -3.174 1.00 0.00 N ATOM 979 CA GLY A 67 8.997 9.715 -3.276 1.00 0.00 C ATOM 980 C GLY A 67 9.954 9.027 -2.319 1.00 0.00 C ATOM 981 O GLY A 67 11.134 8.865 -2.629 1.00 0.00 O ATOM 0 H GLY A 67 7.573 8.182 -3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.355 9.587 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.992 10.786 -3.072 1.00 0.00 H new ATOM 985 N LEU A 68 9.444 8.616 -1.157 1.00 0.00 N ATOM 986 CA LEU A 68 10.262 7.932 -0.157 1.00 0.00 C ATOM 987 C LEU A 68 10.717 6.568 -0.664 1.00 0.00 C ATOM 988 O LEU A 68 10.259 6.093 -1.707 1.00 0.00 O ATOM 989 CB LEU A 68 9.480 7.730 1.146 1.00 0.00 C ATOM 990 CG LEU A 68 8.920 8.996 1.793 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.978 8.628 2.931 1.00 0.00 C ATOM 992 CD2 LEU A 68 10.049 9.884 2.295 1.00 0.00 C ATOM 0 H LEU A 68 8.469 8.745 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 68 11.132 8.562 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.652 7.050 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.133 7.236 1.866 1.00 0.00 H new ATOM 0 HG LEU A 68 8.359 9.554 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.584 9.537 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.154 8.030 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.521 8.053 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.631 10.781 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.638 9.341 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.688 10.168 1.459 1.00 0.00 H new ATOM 1004 N SER A 69 11.600 5.931 0.097 1.00 0.00 N ATOM 1005 CA SER A 69 12.096 4.609 -0.253 1.00 0.00 C ATOM 1006 C SER A 69 11.125 3.539 0.236 1.00 0.00 C ATOM 1007 O SER A 69 10.308 3.791 1.126 1.00 0.00 O ATOM 1008 CB SER A 69 13.485 4.378 0.351 1.00 0.00 C ATOM 1009 OG SER A 69 14.504 4.777 -0.550 1.00 0.00 O ATOM 0 H SER A 69 11.986 6.311 0.961 1.00 0.00 H new ATOM 0 HA SER A 69 12.177 4.545 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.578 4.937 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.607 3.324 0.599 1.00 0.00 H new ATOM 0 HG SER A 69 15.381 4.622 -0.141 1.00 0.00 H new ATOM 1015 N GLN A 70 11.217 2.348 -0.347 1.00 0.00 N ATOM 1016 CA GLN A 70 10.348 1.233 0.028 1.00 0.00 C ATOM 1017 C GLN A 70 10.368 1.000 1.541 1.00 0.00 C ATOM 1018 O GLN A 70 9.360 0.603 2.128 1.00 0.00 O ATOM 1019 CB GLN A 70 10.784 -0.036 -0.704 1.00 0.00 C ATOM 1020 CG GLN A 70 9.851 -1.215 -0.494 1.00 0.00 C ATOM 1021 CD GLN A 70 10.471 -2.528 -0.926 1.00 0.00 C ATOM 1022 OE1 GLN A 70 11.266 -2.576 -1.867 1.00 0.00 O ATOM 1023 NE2 GLN A 70 10.111 -3.604 -0.240 1.00 0.00 N ATOM 0 H GLN A 70 11.887 2.128 -1.084 1.00 0.00 H new ATOM 0 HA GLN A 70 9.328 1.485 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.852 0.176 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.784 -0.312 -0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.578 -1.275 0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.930 -1.050 -1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.450 -3.519 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.495 -4.517 -0.484 1.00 0.00 H new ATOM 1032 N GLU A 71 11.522 1.250 2.164 1.00 0.00 N ATOM 1033 CA GLU A 71 11.676 1.069 3.605 1.00 0.00 C ATOM 1034 C GLU A 71 10.706 1.964 4.377 1.00 0.00 C ATOM 1035 O GLU A 71 9.925 1.479 5.198 1.00 0.00 O ATOM 1036 CB GLU A 71 13.117 1.371 4.027 1.00 0.00 C ATOM 1037 CG GLU A 71 13.413 1.033 5.480 1.00 0.00 C ATOM 1038 CD GLU A 71 14.810 1.443 5.906 1.00 0.00 C ATOM 1039 OE1 GLU A 71 15.079 2.662 5.972 1.00 0.00 O ATOM 1040 OE2 GLU A 71 15.635 0.545 6.175 1.00 0.00 O ATOM 0 H GLU A 71 12.363 1.579 1.690 1.00 0.00 H new ATOM 0 HA GLU A 71 11.446 0.030 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.798 0.811 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.321 2.429 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.683 1.529 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.292 -0.040 5.631 1.00 0.00 H new ATOM 1047 N ARG A 72 10.754 3.270 4.101 1.00 0.00 N ATOM 1048 CA ARG A 72 9.874 4.228 4.769 1.00 0.00 C ATOM 1049 C ARG A 72 8.407 3.900 4.496 1.00 0.00 C ATOM 1050 O ARG A 72 7.563 4.030 5.381 1.00 0.00 O ATOM 1051 CB ARG A 72 10.181 5.660 4.310 1.00 0.00 C ATOM 1052 CG ARG A 72 11.547 6.168 4.746 1.00 0.00 C ATOM 1053 CD ARG A 72 11.586 6.448 6.241 1.00 0.00 C ATOM 1054 NE ARG A 72 12.317 7.675 6.552 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.252 8.310 7.725 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.491 7.837 8.709 1.00 0.00 N ATOM 1057 NH2 ARG A 72 12.950 9.422 7.913 1.00 0.00 N ATOM 0 H ARG A 72 11.391 3.686 3.422 1.00 0.00 H new ATOM 0 HA ARG A 72 10.056 4.155 5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.118 5.704 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.414 6.329 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.309 5.430 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.790 7.078 4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.568 6.527 6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.054 5.608 6.755 1.00 0.00 H new ATOM 0 HE ARG A 72 12.915 8.071 5.827 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.951 6.983 8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.448 8.329 9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.535 9.790 7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.902 9.909 8.808 1.00 0.00 H new ATOM 1071 N ALA A 73 8.116 3.471 3.267 1.00 0.00 N ATOM 1072 CA ALA A 73 6.753 3.117 2.877 1.00 0.00 C ATOM 1073 C ALA A 73 6.143 2.113 3.850 1.00 0.00 C ATOM 1074 O ALA A 73 5.154 2.412 4.520 1.00 0.00 O ATOM 1075 CB ALA A 73 6.735 2.560 1.463 1.00 0.00 C ATOM 0 H ALA A 73 8.807 3.361 2.525 1.00 0.00 H new ATOM 0 HA ALA A 73 6.149 4.024 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.713 2.301 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.119 3.310 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.361 1.669 1.415 1.00 0.00 H new ATOM 1081 N ALA A 74 6.747 0.926 3.938 1.00 0.00 N ATOM 1082 CA ALA A 74 6.260 -0.102 4.852 1.00 0.00 C ATOM 1083 C ALA A 74 6.300 0.416 6.286 1.00 0.00 C ATOM 1084 O ALA A 74 5.260 0.568 6.922 1.00 0.00 O ATOM 1085 CB ALA A 74 7.077 -1.384 4.723 1.00 0.00 C ATOM 0 H ALA A 74 7.566 0.657 3.392 1.00 0.00 H new ATOM 0 HA ALA A 74 5.229 -0.337 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.692 -2.132 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.003 -1.761 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.121 -1.175 4.958 1.00 0.00 H new ATOM 1091 N GLU A 75 7.515 0.696 6.775 1.00 0.00 N ATOM 1092 CA GLU A 75 7.731 1.215 8.129 1.00 0.00 C ATOM 1093 C GLU A 75 6.617 2.181 8.561 1.00 0.00 C ATOM 1094 O GLU A 75 6.166 2.140 9.705 1.00 0.00 O ATOM 1095 CB GLU A 75 9.085 1.926 8.215 1.00 0.00 C ATOM 1096 CG GLU A 75 9.621 2.039 9.635 1.00 0.00 C ATOM 1097 CD GLU A 75 10.698 1.015 9.948 1.00 0.00 C ATOM 1098 OE1 GLU A 75 10.550 -0.153 9.531 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.687 1.382 10.618 1.00 0.00 O ATOM 0 H GLU A 75 8.375 0.569 6.242 1.00 0.00 H new ATOM 0 HA GLU A 75 7.718 0.361 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.809 1.388 7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.990 2.925 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.025 3.040 9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.797 1.918 10.339 1.00 0.00 H new ATOM 1106 N LEU A 76 6.183 3.047 7.642 1.00 0.00 N ATOM 1107 CA LEU A 76 5.129 4.019 7.939 1.00 0.00 C ATOM 1108 C LEU A 76 3.785 3.331 8.203 1.00 0.00 C ATOM 1109 O LEU A 76 3.099 3.649 9.176 1.00 0.00 O ATOM 1110 CB LEU A 76 4.996 5.026 6.788 1.00 0.00 C ATOM 1111 CG LEU A 76 5.710 6.367 7.002 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.451 7.301 5.830 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.263 7.015 8.306 1.00 0.00 C ATOM 0 H LEU A 76 6.544 3.095 6.689 1.00 0.00 H new ATOM 0 HA LEU A 76 5.413 4.551 8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.386 4.567 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.937 5.220 6.618 1.00 0.00 H new ATOM 0 HG LEU A 76 6.781 6.176 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.965 8.247 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.822 6.845 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.380 7.481 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.782 7.964 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.188 7.191 8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.499 6.354 9.140 1.00 0.00 H new ATOM 1125 N MET A 77 3.413 2.391 7.335 1.00 0.00 N ATOM 1126 CA MET A 77 2.149 1.664 7.478 1.00 0.00 C ATOM 1127 C MET A 77 2.214 0.615 8.588 1.00 0.00 C ATOM 1128 O MET A 77 1.201 0.316 9.217 1.00 0.00 O ATOM 1129 CB MET A 77 1.773 0.987 6.160 1.00 0.00 C ATOM 1130 CG MET A 77 1.435 1.965 5.046 1.00 0.00 C ATOM 1131 SD MET A 77 2.026 1.418 3.433 1.00 0.00 S ATOM 1132 CE MET A 77 1.457 -0.279 3.421 1.00 0.00 C ATOM 0 H MET A 77 3.968 2.114 6.525 1.00 0.00 H new ATOM 0 HA MET A 77 1.387 2.395 7.748 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.600 0.354 5.838 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.918 0.332 6.329 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.354 2.102 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.871 2.937 5.277 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.315 -0.950 3.392 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.874 -0.474 4.321 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.834 -0.448 2.542 1.00 0.00 H new ATOM 1142 N THR A 78 3.399 0.054 8.823 1.00 0.00 N ATOM 1143 CA THR A 78 3.570 -0.961 9.860 1.00 0.00 C ATOM 1144 C THR A 78 3.167 -0.406 11.227 1.00 0.00 C ATOM 1145 O THR A 78 2.663 -1.140 12.079 1.00 0.00 O ATOM 1146 CB THR A 78 5.021 -1.453 9.897 1.00 0.00 C ATOM 1147 OG1 THR A 78 5.691 -1.146 8.695 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.156 -2.940 10.095 1.00 0.00 C ATOM 0 H THR A 78 4.251 0.284 8.312 1.00 0.00 H new ATOM 0 HA THR A 78 2.922 -1.804 9.622 1.00 0.00 H new ATOM 0 HB THR A 78 5.459 -0.938 10.752 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.558 -1.603 8.677 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.212 -3.211 10.110 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.695 -3.224 11.041 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.659 -3.462 9.278 1.00 0.00 H new ATOM 1156 N ARG A 79 3.380 0.897 11.422 1.00 0.00 N ATOM 1157 CA ARG A 79 3.032 1.558 12.676 1.00 0.00 C ATOM 1158 C ARG A 79 1.617 2.149 12.609 1.00 0.00 C ATOM 1159 O ARG A 79 1.389 3.285 13.031 1.00 0.00 O ATOM 1160 CB ARG A 79 4.050 2.662 12.987 1.00 0.00 C ATOM 1161 CG ARG A 79 5.489 2.175 13.002 1.00 0.00 C ATOM 1162 CD ARG A 79 6.379 3.068 13.853 1.00 0.00 C ATOM 1163 NE ARG A 79 7.781 2.654 13.791 1.00 0.00 N ATOM 1164 CZ ARG A 79 8.783 3.302 14.391 1.00 0.00 C ATOM 1165 NH1 ARG A 79 8.548 4.403 15.100 1.00 0.00 N ATOM 1166 NH2 ARG A 79 10.027 2.850 14.279 1.00 0.00 N ATOM 0 H ARG A 79 3.793 1.515 10.723 1.00 0.00 H new ATOM 0 HA ARG A 79 3.054 0.815 13.473 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.951 3.455 12.246 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.813 3.100 13.956 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.524 1.155 13.386 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.873 2.145 11.982 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.289 4.100 13.514 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.037 3.042 14.888 1.00 0.00 H new ATOM 0 HE ARG A 79 8.008 1.816 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.596 4.759 15.189 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.320 4.891 15.555 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.217 2.008 13.735 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.792 3.345 14.737 1.00 0.00 H new ATOM 1180 N THR A 80 0.670 1.372 12.076 1.00 0.00 N ATOM 1181 CA THR A 80 -0.717 1.824 11.956 1.00 0.00 C ATOM 1182 C THR A 80 -1.465 1.659 13.279 1.00 0.00 C ATOM 1183 O THR A 80 -1.041 0.897 14.150 1.00 0.00 O ATOM 1184 CB THR A 80 -1.452 1.057 10.849 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.866 -0.218 10.630 1.00 0.00 O ATOM 1186 CG2 THR A 80 -1.475 1.794 9.525 1.00 0.00 C ATOM 0 H THR A 80 0.838 0.430 11.722 1.00 0.00 H new ATOM 0 HA THR A 80 -0.693 2.882 11.695 1.00 0.00 H new ATOM 0 HB THR A 80 -2.476 0.954 11.207 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.305 -0.187 9.827 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.009 1.197 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.979 2.752 9.651 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.453 1.963 9.185 1.00 0.00 H new ATOM 1194 N SER A 81 -2.580 2.376 13.419 1.00 0.00 N ATOM 1195 CA SER A 81 -3.391 2.310 14.634 1.00 0.00 C ATOM 1196 C SER A 81 -4.641 1.457 14.414 1.00 0.00 C ATOM 1197 O SER A 81 -4.726 0.708 13.439 1.00 0.00 O ATOM 1198 CB SER A 81 -3.784 3.722 15.082 1.00 0.00 C ATOM 1199 OG SER A 81 -3.836 3.808 16.496 1.00 0.00 O ATOM 0 H SER A 81 -2.942 3.009 12.706 1.00 0.00 H new ATOM 0 HA SER A 81 -2.795 1.841 15.417 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.064 4.444 14.696 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.755 3.984 14.662 1.00 0.00 H new ATOM 0 HG SER A 81 -4.087 4.718 16.759 1.00 0.00 H new ATOM 1205 N SER A 82 -5.610 1.574 15.327 1.00 0.00 N ATOM 1206 CA SER A 82 -6.855 0.813 15.230 1.00 0.00 C ATOM 1207 C SER A 82 -7.479 0.951 13.840 1.00 0.00 C ATOM 1208 O SER A 82 -7.942 -0.031 13.262 1.00 0.00 O ATOM 1209 CB SER A 82 -7.847 1.275 16.302 1.00 0.00 C ATOM 1210 OG SER A 82 -8.323 2.582 16.031 1.00 0.00 O ATOM 0 H SER A 82 -5.555 2.188 16.140 1.00 0.00 H new ATOM 0 HA SER A 82 -6.620 -0.239 15.394 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.687 0.581 16.347 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.365 1.256 17.279 1.00 0.00 H new ATOM 0 HG SER A 82 -8.955 2.851 16.730 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.480 2.173 13.306 1.00 0.00 N ATOM 1217 CA VAL A 83 -8.037 2.426 11.981 1.00 0.00 C ATOM 1218 C VAL A 83 -6.941 2.412 10.921 1.00 0.00 C ATOM 1219 O VAL A 83 -5.845 2.932 11.141 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.780 3.777 11.912 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.489 3.927 10.574 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.768 3.911 13.060 1.00 0.00 C ATOM 0 H VAL A 83 -7.102 2.999 13.770 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.752 1.626 11.787 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.044 4.576 12.004 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.008 4.885 10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.757 3.884 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.211 3.119 10.452 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.279 4.871 12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.500 3.105 13.006 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.234 3.853 14.008 1.00 0.00 H new ATOM 1232 N VAL A 84 -7.247 1.816 9.774 1.00 0.00 N ATOM 1233 CA VAL A 84 -6.295 1.733 8.674 1.00 0.00 C ATOM 1234 C VAL A 84 -6.882 2.339 7.402 1.00 0.00 C ATOM 1235 O VAL A 84 -7.613 1.672 6.668 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.876 0.274 8.396 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.739 0.231 7.386 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -5.479 -0.430 9.688 1.00 0.00 C ATOM 0 H VAL A 84 -8.150 1.382 9.582 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.412 2.299 8.972 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.731 -0.254 7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.456 -0.805 7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.064 0.690 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.882 0.777 7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.187 -1.457 9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.641 0.095 10.146 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.325 -0.432 10.376 1.00 0.00 H new ATOM 1248 N THR A 85 -6.557 3.606 7.151 1.00 0.00 N ATOM 1249 CA THR A 85 -7.052 4.306 5.967 1.00 0.00 C ATOM 1250 C THR A 85 -6.005 4.294 4.855 1.00 0.00 C ATOM 1251 O THR A 85 -5.165 5.192 4.768 1.00 0.00 O ATOM 1252 CB THR A 85 -7.439 5.748 6.316 1.00 0.00 C ATOM 1253 OG1 THR A 85 -6.706 6.216 7.436 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.911 5.907 6.630 1.00 0.00 C ATOM 0 H THR A 85 -5.954 4.168 7.751 1.00 0.00 H new ATOM 0 HA THR A 85 -7.940 3.784 5.611 1.00 0.00 H new ATOM 0 HB THR A 85 -7.204 6.332 5.426 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.970 7.138 7.637 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.122 6.949 6.869 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.502 5.607 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.171 5.280 7.483 1.00 0.00 H new ATOM 1262 N LEU A 86 -6.063 3.267 4.010 1.00 0.00 N ATOM 1263 CA LEU A 86 -5.124 3.126 2.902 1.00 0.00 C ATOM 1264 C LEU A 86 -5.846 3.214 1.560 1.00 0.00 C ATOM 1265 O LEU A 86 -6.829 2.507 1.329 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.384 1.789 3.005 1.00 0.00 C ATOM 1267 CG LEU A 86 -2.975 1.867 3.600 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -2.942 1.238 4.986 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -1.972 1.189 2.678 1.00 0.00 C ATOM 0 H LEU A 86 -6.753 2.519 4.073 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.404 3.943 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.980 1.108 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.317 1.352 2.009 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.699 2.917 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.932 1.304 5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.632 1.768 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.238 0.191 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.975 1.253 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.246 0.142 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.976 1.686 1.708 1.00 0.00 H new ATOM 1281 N GLU A 87 -5.348 4.075 0.674 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.941 4.243 -0.651 1.00 0.00 C ATOM 1283 C GLU A 87 -5.157 3.445 -1.693 1.00 0.00 C ATOM 1284 O GLU A 87 -4.005 3.767 -1.995 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.977 5.724 -1.041 1.00 0.00 C ATOM 1286 CG GLU A 87 -7.269 6.426 -0.681 1.00 0.00 C ATOM 1287 CD GLU A 87 -7.207 7.923 -0.923 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -6.743 8.650 -0.019 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.620 8.365 -2.015 1.00 0.00 O ATOM 0 H GLU A 87 -4.536 4.667 0.850 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.963 3.866 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.149 6.238 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.816 5.810 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.084 6.001 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.499 6.241 0.368 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.785 2.400 -2.231 1.00 0.00 N ATOM 1297 CA VAL A 88 -5.147 1.546 -3.233 1.00 0.00 C ATOM 1298 C VAL A 88 -5.539 1.957 -4.654 1.00 0.00 C ATOM 1299 O VAL A 88 -6.688 2.322 -4.908 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.521 0.060 -3.024 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -4.710 -0.838 -3.946 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -5.326 -0.353 -1.572 1.00 0.00 C ATOM 0 H VAL A 88 -6.737 2.124 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.071 1.671 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.576 -0.056 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.991 -1.878 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.909 -0.569 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.648 -0.711 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.596 -1.402 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.282 -0.213 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.960 0.260 -0.931 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.580 1.877 -5.578 1.00 0.00 N ATOM 1313 CA ALA A 89 -4.825 2.223 -6.977 1.00 0.00 C ATOM 1314 C ALA A 89 -4.920 0.962 -7.835 1.00 0.00 C ATOM 1315 O ALA A 89 -3.916 0.287 -8.071 1.00 0.00 O ATOM 1316 CB ALA A 89 -3.729 3.141 -7.504 1.00 0.00 C ATOM 0 H ALA A 89 -3.626 1.575 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.776 2.753 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.930 3.387 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.706 4.057 -6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.765 2.637 -7.429 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.131 0.648 -8.294 1.00 0.00 N ATOM 1323 CA LYS A 90 -6.359 -0.537 -9.120 1.00 0.00 C ATOM 1324 C LYS A 90 -5.763 -0.360 -10.514 1.00 0.00 C ATOM 1325 O LYS A 90 -5.942 0.680 -11.150 1.00 0.00 O ATOM 1326 CB LYS A 90 -7.857 -0.842 -9.223 1.00 0.00 C ATOM 1327 CG LYS A 90 -8.540 -0.977 -7.870 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.796 -1.831 -7.952 1.00 0.00 C ATOM 1329 CE LYS A 90 -11.013 -0.997 -8.317 1.00 0.00 C ATOM 1330 NZ LYS A 90 -11.898 -1.695 -9.289 1.00 0.00 N ATOM 0 H LYS A 90 -6.970 1.198 -8.108 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.860 -1.378 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.344 -0.048 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.994 -1.766 -9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.846 -1.420 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.798 0.013 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.656 -2.616 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.965 -2.324 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.578 -0.766 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.687 -0.047 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.358 -0.994 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.331 -2.346 -9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.624 -2.233 -8.774 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.051 -1.385 -10.977 1.00 0.00 N ATOM 1345 CA GLN A 91 -4.419 -1.355 -12.292 1.00 0.00 C ATOM 1346 C GLN A 91 -5.317 -1.992 -13.352 1.00 0.00 C ATOM 1347 O GLN A 91 -6.379 -2.535 -13.039 1.00 0.00 O ATOM 1348 CB GLN A 91 -3.070 -2.079 -12.241 1.00 0.00 C ATOM 1349 CG GLN A 91 -1.897 -1.150 -11.972 1.00 0.00 C ATOM 1350 CD GLN A 91 -2.040 -0.401 -10.659 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -2.443 0.763 -10.634 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -1.714 -1.069 -9.559 1.00 0.00 N ATOM 0 H GLN A 91 -4.897 -2.249 -10.458 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.259 -0.313 -12.568 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.105 -2.843 -11.464 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.906 -2.594 -13.187 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.974 -1.730 -11.958 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.810 -0.433 -12.788 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.385 -2.032 -9.626 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.793 -0.619 -8.647 1.00 0.00 H new ATOM 1361 N GLY A 92 -4.879 -1.917 -14.609 1.00 0.00 N ATOM 1362 CA GLY A 92 -5.644 -2.487 -15.708 1.00 0.00 C ATOM 1363 C GLY A 92 -5.180 -3.865 -16.125 1.00 0.00 C ATOM 1364 O GLY A 92 -5.718 -4.461 -17.058 1.00 0.00 O ATOM 0 H GLY A 92 -4.005 -1.470 -14.886 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.694 -2.539 -15.419 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.583 -1.818 -16.566 1.00 0.00 H new ATOM 1368 N ALA A 93 -4.186 -4.357 -15.426 1.00 0.00 N ATOM 1369 CA ALA A 93 -3.620 -5.678 -15.690 1.00 0.00 C ATOM 1370 C ALA A 93 -4.355 -6.762 -14.903 1.00 0.00 C ATOM 1371 O ALA A 93 -4.811 -6.472 -13.775 1.00 0.00 O ATOM 1372 CB ALA A 93 -2.135 -5.699 -15.356 1.00 0.00 C ATOM 1373 OXT ALA A 93 -4.466 -7.894 -15.419 1.00 0.00 O ATOM 0 H ALA A 93 -3.739 -3.860 -14.655 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.744 -5.888 -16.752 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.730 -6.691 -15.559 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.614 -4.962 -15.968 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.996 -5.459 -14.302 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 13.373 -2.315 -5.453 1.00 0.00 N ATOM 1381 CA LEU B 99 12.620 -3.498 -5.955 1.00 0.00 C ATOM 1382 C LEU B 99 12.729 -4.687 -4.994 1.00 0.00 C ATOM 1383 O LEU B 99 13.285 -5.731 -5.339 1.00 0.00 O ATOM 1384 CB LEU B 99 13.162 -3.873 -7.341 1.00 0.00 C ATOM 1385 CG LEU B 99 12.657 -2.999 -8.493 1.00 0.00 C ATOM 1386 CD1 LEU B 99 13.523 -3.189 -9.731 1.00 0.00 C ATOM 1387 CD2 LEU B 99 11.200 -3.316 -8.803 1.00 0.00 C ATOM 0 HA LEU B 99 11.563 -3.241 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU B 99 14.250 -3.820 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU B 99 12.898 -4.910 -7.549 1.00 0.00 H new ATOM 0 HG LEU B 99 12.724 -1.955 -8.187 1.00 0.00 H new ATOM 0 HD11 LEU B 99 13.148 -2.559 -10.538 1.00 0.00 H new ATOM 0 HD12 LEU B 99 14.552 -2.910 -9.502 1.00 0.00 H new ATOM 0 HD13 LEU B 99 13.491 -4.234 -10.041 1.00 0.00 H new ATOM 0 HD21 LEU B 99 10.857 -2.686 -9.624 1.00 0.00 H new ATOM 0 HD22 LEU B 99 11.108 -4.364 -9.087 1.00 0.00 H new ATOM 0 HD23 LEU B 99 10.590 -3.125 -7.920 1.00 0.00 H new ATOM 1401 N PHE B 100 12.188 -4.517 -3.789 1.00 0.00 N ATOM 1402 CA PHE B 100 12.210 -5.566 -2.771 1.00 0.00 C ATOM 1403 C PHE B 100 10.784 -5.920 -2.342 1.00 0.00 C ATOM 1404 O PHE B 100 9.819 -5.409 -2.910 1.00 0.00 O ATOM 1405 CB PHE B 100 13.032 -5.105 -1.561 1.00 0.00 C ATOM 1406 CG PHE B 100 14.314 -5.868 -1.368 1.00 0.00 C ATOM 1407 CD1 PHE B 100 15.279 -5.901 -2.365 1.00 0.00 C ATOM 1408 CD2 PHE B 100 14.557 -6.546 -0.185 1.00 0.00 C ATOM 1409 CE1 PHE B 100 16.459 -6.598 -2.183 1.00 0.00 C ATOM 1410 CE2 PHE B 100 15.735 -7.243 0.003 1.00 0.00 C ATOM 1411 CZ PHE B 100 16.687 -7.269 -0.997 1.00 0.00 C ATOM 0 H PHE B 100 11.726 -3.657 -3.492 1.00 0.00 H new ATOM 0 HA PHE B 100 12.675 -6.457 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE B 100 13.265 -4.046 -1.674 1.00 0.00 H new ATOM 0 HB3 PHE B 100 12.423 -5.203 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE B 100 15.106 -5.376 -3.293 1.00 0.00 H new ATOM 0 HD2 PHE B 100 13.816 -6.530 0.601 1.00 0.00 H new ATOM 0 HE1 PHE B 100 17.202 -6.618 -2.967 1.00 0.00 H new ATOM 0 HE2 PHE B 100 15.911 -7.767 0.931 1.00 0.00 H new ATOM 0 HZ PHE B 100 17.609 -7.813 -0.852 1.00 0.00 H new ATOM 1421 N SER B 101 10.648 -6.792 -1.341 1.00 0.00 N ATOM 1422 CA SER B 101 9.325 -7.193 -0.862 1.00 0.00 C ATOM 1423 C SER B 101 9.274 -7.281 0.664 1.00 0.00 C ATOM 1424 O SER B 101 9.750 -8.252 1.257 1.00 0.00 O ATOM 1425 CB SER B 101 8.921 -8.534 -1.479 1.00 0.00 C ATOM 1426 OG SER B 101 9.919 -9.518 -1.272 1.00 0.00 O ATOM 0 H SER B 101 11.429 -7.230 -0.851 1.00 0.00 H new ATOM 0 HA SER B 101 8.618 -6.424 -1.173 1.00 0.00 H new ATOM 0 HB2 SER B 101 7.981 -8.869 -1.042 1.00 0.00 H new ATOM 0 HB3 SER B 101 8.748 -8.408 -2.548 1.00 0.00 H new ATOM 0 HG SER B 101 10.276 -9.436 -0.363 1.00 0.00 H new ATOM 1432 N THR B 102 8.678 -6.266 1.292 1.00 0.00 N ATOM 1433 CA THR B 102 8.545 -6.235 2.748 1.00 0.00 C ATOM 1434 C THR B 102 7.188 -6.798 3.169 1.00 0.00 C ATOM 1435 O THR B 102 6.433 -7.307 2.338 1.00 0.00 O ATOM 1436 CB THR B 102 8.702 -4.805 3.282 1.00 0.00 C ATOM 1437 OG1 THR B 102 7.612 -3.995 2.880 1.00 0.00 O ATOM 1438 CG2 THR B 102 9.974 -4.119 2.828 1.00 0.00 C ATOM 0 H THR B 102 8.281 -5.456 0.816 1.00 0.00 H new ATOM 0 HA THR B 102 9.337 -6.853 3.172 1.00 0.00 H new ATOM 0 HB THR B 102 8.740 -4.913 4.366 1.00 0.00 H new ATOM 0 HG1 THR B 102 6.901 -4.045 3.553 1.00 0.00 H new ATOM 0 HG21 THR B 102 10.014 -3.113 3.246 1.00 0.00 H new ATOM 0 HG22 THR B 102 10.837 -4.689 3.172 1.00 0.00 H new ATOM 0 HG23 THR B 102 9.987 -4.061 1.740 1.00 0.00 H new ATOM 1446 N GLU B 103 6.880 -6.697 4.460 1.00 0.00 N ATOM 1447 CA GLU B 103 5.611 -7.190 4.985 1.00 0.00 C ATOM 1448 C GLU B 103 5.060 -6.243 6.052 1.00 0.00 C ATOM 1449 O GLU B 103 5.513 -6.250 7.200 1.00 0.00 O ATOM 1450 CB GLU B 103 5.775 -8.604 5.554 1.00 0.00 C ATOM 1451 CG GLU B 103 7.038 -8.796 6.382 1.00 0.00 C ATOM 1452 CD GLU B 103 6.973 -10.022 7.274 1.00 0.00 C ATOM 1453 OE1 GLU B 103 6.090 -10.071 8.157 1.00 0.00 O ATOM 1454 OE2 GLU B 103 7.807 -10.933 7.091 1.00 0.00 O ATOM 0 H GLU B 103 7.492 -6.278 5.161 1.00 0.00 H new ATOM 0 HA GLU B 103 4.896 -7.230 4.163 1.00 0.00 H new ATOM 0 HB2 GLU B 103 4.908 -8.838 6.172 1.00 0.00 H new ATOM 0 HB3 GLU B 103 5.781 -9.318 4.730 1.00 0.00 H new ATOM 0 HG2 GLU B 103 7.895 -8.882 5.715 1.00 0.00 H new ATOM 0 HG3 GLU B 103 7.202 -7.912 6.998 1.00 0.00 H new ATOM 1461 N VAL B 104 4.082 -5.425 5.660 1.00 0.00 N ATOM 1462 CA VAL B 104 3.464 -4.465 6.573 1.00 0.00 C ATOM 1463 C VAL B 104 2.253 -5.072 7.287 1.00 0.00 C ATOM 1464 O VAL B 104 2.047 -4.748 8.475 1.00 0.00 O ATOM 1465 CB VAL B 104 3.038 -3.177 5.827 1.00 0.00 C ATOM 1466 CG1 VAL B 104 1.896 -3.463 4.861 1.00 0.00 C ATOM 1467 CG2 VAL B 104 2.648 -2.084 6.812 1.00 0.00 C ATOM 1468 OXT VAL B 104 1.521 -5.867 6.653 1.00 0.00 O ATOM 0 H VAL B 104 3.701 -5.409 4.714 1.00 0.00 H new ATOM 0 HA VAL B 104 4.215 -4.207 7.320 1.00 0.00 H new ATOM 0 HB VAL B 104 3.892 -2.824 5.249 1.00 0.00 H new ATOM 0 HG11 VAL B 104 1.614 -2.543 4.349 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.216 -4.203 4.128 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.039 -3.848 5.414 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.353 -1.189 6.264 1.00 0.00 H new ATOM 0 HG22 VAL B 104 1.814 -2.427 7.424 1.00 0.00 H new ATOM 0 HG23 VAL B 104 3.498 -1.852 7.454 1.00 0.00 H new TER 1478 VAL B 104