USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 THR OG1 : rot 180:sc= 0.18 USER MOD Set 1.2: A 12 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= 0.349 (180deg=-0.0719) USER MOD Single : A 5 MET CE :methyl 159:sc= 0 (180deg=-0.373) USER MOD Single : A 6 SER OG : rot 180:sc= 0.132 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.167 USER MOD Single : A 17 SER OG : rot -37:sc= 0.157 USER MOD Single : A 20 GLN : amide:sc= -0.557 K(o=-0.56,f=-1.6) USER MOD Single : A 21 GLN : amide:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -32:sc= 0.656 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.024 K(o=-0.024,f=-1.3) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.674 K(o=0.67,f=-0.84) USER MOD Single : A 38 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-5!) USER MOD Single : A 39 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= 0.457 (180deg=0.0541) USER MOD Single : A 54 MET CE :methyl 154:sc= -1.52 (180deg=-2.2) USER MOD Single : A 56 SER OG : rot 169:sc= 1.18 USER MOD Single : A 59 SER OG : rot 81:sc= 0.024 USER MOD Single : A 63 SER OG : rot 88:sc= 1.23 USER MOD Single : A 64 MET CE :methyl -167:sc= -0.338 (180deg=-0.907) USER MOD Single : A 65 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.91) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 74 CYS SG : rot 6:sc= 0.46 USER MOD Single : A 77 MET CE :methyl 175:sc= 0 (180deg=-0.0386) USER MOD Single : A 80 ASN : amide:sc= 0.69 K(o=0.69,f=-0.18) USER MOD Single : A 83 THR OG1 : rot 13:sc= 1.06 USER MOD Single : A 85 GLN : amide:sc= -1.78! C(o=-1.8!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -17.097 -0.935 4.012 1.00 0.00 N ATOM 38 CA LYS A 4 -16.855 0.511 3.914 1.00 0.00 C ATOM 39 C LYS A 4 -16.540 0.994 2.500 1.00 0.00 C ATOM 40 O LYS A 4 -16.682 2.184 2.233 1.00 0.00 O ATOM 41 CB LYS A 4 -15.772 0.911 4.940 1.00 0.00 C ATOM 42 CG LYS A 4 -14.415 0.210 4.763 1.00 0.00 C ATOM 43 CD LYS A 4 -13.530 0.859 3.725 1.00 0.00 C ATOM 44 CE LYS A 4 -12.730 2.104 4.108 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.128 2.717 2.903 1.00 0.00 N ATOM 0 HA LYS A 4 -17.786 1.023 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.617 1.988 4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.146 0.698 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.893 0.201 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.586 -0.830 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.822 0.106 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.158 1.120 2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.380 2.824 4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.948 1.838 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.393 3.395 3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.703 1.975 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.864 3.212 2.361 1.00 0.00 H new ATOM 59 N MET A 5 -16.043 0.125 1.620 1.00 0.00 N ATOM 60 CA MET A 5 -15.629 0.446 0.259 1.00 0.00 C ATOM 61 C MET A 5 -16.077 -0.772 -0.552 1.00 0.00 C ATOM 62 O MET A 5 -15.327 -1.736 -0.697 1.00 0.00 O ATOM 63 CB MET A 5 -14.099 0.729 0.168 1.00 0.00 C ATOM 64 CG MET A 5 -13.703 1.842 -0.803 1.00 0.00 C ATOM 65 SD MET A 5 -14.562 3.424 -0.585 1.00 0.00 S ATOM 66 CE MET A 5 -13.584 4.473 -1.701 1.00 0.00 C ATOM 0 H MET A 5 -15.914 -0.861 1.847 1.00 0.00 H new ATOM 0 HA MET A 5 -16.075 1.365 -0.121 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.733 0.987 1.162 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.592 -0.189 -0.129 1.00 0.00 H new ATOM 0 HG2 MET A 5 -12.631 2.016 -0.708 1.00 0.00 H new ATOM 0 HG3 MET A 5 -13.880 1.491 -1.820 1.00 0.00 H new ATOM 0 HE1 MET A 5 -14.168 5.350 -1.981 1.00 0.00 H new ATOM 0 HE2 MET A 5 -12.672 4.790 -1.196 1.00 0.00 H new ATOM 0 HE3 MET A 5 -13.325 3.909 -2.597 1.00 0.00 H new ATOM 76 N SER A 6 -17.359 -0.821 -0.904 1.00 0.00 N ATOM 77 CA SER A 6 -18.004 -1.948 -1.570 1.00 0.00 C ATOM 78 C SER A 6 -17.474 -2.104 -2.991 1.00 0.00 C ATOM 79 O SER A 6 -16.599 -2.931 -3.246 1.00 0.00 O ATOM 80 CB SER A 6 -19.521 -1.791 -1.472 1.00 0.00 C ATOM 81 OG SER A 6 -19.887 -0.425 -1.520 1.00 0.00 O ATOM 0 H SER A 6 -18.000 -0.048 -0.726 1.00 0.00 H new ATOM 0 HA SER A 6 -17.758 -2.885 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.001 -2.330 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.878 -2.236 -0.543 1.00 0.00 H new ATOM 0 HG SER A 6 -20.862 -0.345 -1.458 1.00 0.00 H new ATOM 87 N ASP A 7 -17.985 -1.307 -3.921 1.00 0.00 N ATOM 88 CA ASP A 7 -17.372 -1.076 -5.214 1.00 0.00 C ATOM 89 C ASP A 7 -17.732 0.352 -5.583 1.00 0.00 C ATOM 90 O ASP A 7 -18.773 0.883 -5.199 1.00 0.00 O ATOM 91 CB ASP A 7 -17.821 -2.093 -6.263 1.00 0.00 C ATOM 92 CG ASP A 7 -17.119 -1.957 -7.617 1.00 0.00 C ATOM 93 OD1 ASP A 7 -16.152 -1.177 -7.756 1.00 0.00 O ATOM 94 OD2 ASP A 7 -17.553 -2.646 -8.569 1.00 0.00 O ATOM 0 H ASP A 7 -18.857 -0.794 -3.790 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.291 -1.207 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.646 -3.097 -5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.896 -1.992 -6.413 1.00 0.00 H new ATOM 99 N VAL A 8 -16.806 0.993 -6.259 1.00 0.00 N ATOM 100 CA VAL A 8 -16.601 2.420 -6.406 1.00 0.00 C ATOM 101 C VAL A 8 -16.060 2.630 -7.826 1.00 0.00 C ATOM 102 O VAL A 8 -15.556 3.697 -8.161 1.00 0.00 O ATOM 103 CB VAL A 8 -15.628 2.896 -5.292 1.00 0.00 C ATOM 104 CG1 VAL A 8 -15.697 4.419 -5.103 1.00 0.00 C ATOM 105 CG2 VAL A 8 -15.893 2.229 -3.922 1.00 0.00 C ATOM 0 H VAL A 8 -16.099 0.471 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.511 3.008 -6.289 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.637 2.598 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.005 4.720 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.425 4.914 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.711 4.705 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.179 2.606 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.906 2.462 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.781 1.149 -4.016 1.00 0.00 H new ATOM 115 N LYS A 9 -16.116 1.578 -8.655 1.00 0.00 N ATOM 116 CA LYS A 9 -15.665 1.431 -10.035 1.00 0.00 C ATOM 117 C LYS A 9 -14.150 1.346 -10.141 1.00 0.00 C ATOM 118 O LYS A 9 -13.658 0.734 -11.092 1.00 0.00 O ATOM 119 CB LYS A 9 -16.219 2.549 -10.913 1.00 0.00 C ATOM 120 CG LYS A 9 -17.756 2.596 -10.883 1.00 0.00 C ATOM 121 CD LYS A 9 -18.390 1.912 -12.104 1.00 0.00 C ATOM 122 CE LYS A 9 -18.872 0.491 -11.795 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.679 -0.059 -12.904 1.00 0.00 N ATOM 0 H LYS A 9 -16.531 0.706 -8.327 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.060 0.483 -10.401 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.820 3.506 -10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.880 2.406 -11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -18.113 2.113 -9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.084 3.635 -10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.231 2.509 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.663 1.877 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.013 -0.155 -11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.465 0.497 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.990 -1.022 -12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.511 0.544 -13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.105 -0.087 -13.771 1.00 0.00 H new ATOM 137 N CYS A 10 -13.436 1.925 -9.178 1.00 0.00 N ATOM 138 CA CYS A 10 -11.995 2.028 -9.143 1.00 0.00 C ATOM 139 C CYS A 10 -11.480 1.686 -7.741 1.00 0.00 C ATOM 140 O CYS A 10 -10.750 2.478 -7.150 1.00 0.00 O ATOM 141 CB CYS A 10 -11.592 3.452 -9.580 1.00 0.00 C ATOM 142 SG CYS A 10 -12.177 3.824 -11.260 1.00 0.00 S ATOM 0 H CYS A 10 -13.877 2.354 -8.364 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.542 1.315 -9.832 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.005 4.179 -8.881 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.507 3.552 -9.541 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.819 5.030 -11.587 1.00 0.00 H new ATOM 148 N THR A 11 -11.861 0.542 -7.169 1.00 0.00 N ATOM 149 CA THR A 11 -11.338 0.100 -5.876 1.00 0.00 C ATOM 150 C THR A 11 -9.934 -0.484 -6.067 1.00 0.00 C ATOM 151 O THR A 11 -8.929 0.227 -5.961 1.00 0.00 O ATOM 152 CB THR A 11 -12.309 -0.870 -5.172 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.660 -1.982 -5.973 1.00 0.00 O ATOM 154 CG2 THR A 11 -13.591 -0.174 -4.737 1.00 0.00 C ATOM 0 H THR A 11 -12.536 -0.099 -7.586 1.00 0.00 H new ATOM 0 HA THR A 11 -11.252 0.957 -5.208 1.00 0.00 H new ATOM 0 HB THR A 11 -11.763 -1.226 -4.298 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.274 -2.562 -5.476 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.247 -0.893 -4.246 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.350 0.631 -4.043 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.095 0.239 -5.611 1.00 0.00 H new ATOM 162 N SER A 12 -9.829 -1.774 -6.398 1.00 0.00 N ATOM 163 CA SER A 12 -8.549 -2.471 -6.515 1.00 0.00 C ATOM 164 C SER A 12 -7.951 -2.255 -7.903 1.00 0.00 C ATOM 165 O SER A 12 -7.235 -3.096 -8.424 1.00 0.00 O ATOM 166 CB SER A 12 -8.698 -3.957 -6.126 1.00 0.00 C ATOM 167 OG SER A 12 -10.035 -4.427 -6.151 1.00 0.00 O ATOM 0 H SER A 12 -10.636 -2.366 -6.593 1.00 0.00 H new ATOM 0 HA SER A 12 -7.837 -2.048 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.098 -4.562 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.291 -4.103 -5.126 1.00 0.00 H new ATOM 0 HG SER A 12 -10.054 -5.373 -5.896 1.00 0.00 H new ATOM 173 N VAL A 13 -8.113 -1.047 -8.427 1.00 0.00 N ATOM 174 CA VAL A 13 -7.447 -0.564 -9.621 1.00 0.00 C ATOM 175 C VAL A 13 -6.368 0.442 -9.191 1.00 0.00 C ATOM 176 O VAL A 13 -5.394 0.640 -9.906 1.00 0.00 O ATOM 177 CB VAL A 13 -8.504 -0.003 -10.605 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.809 -0.826 -10.630 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.880 1.448 -10.293 1.00 0.00 C ATOM 0 H VAL A 13 -8.736 -0.354 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.936 -1.359 -10.165 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.020 -0.065 -11.579 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.507 -0.380 -11.339 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.588 -1.849 -10.933 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.255 -0.831 -9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.624 1.794 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.293 1.508 -9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.992 2.076 -10.359 1.00 0.00 H new ATOM 189 N VAL A 14 -6.533 1.052 -8.010 1.00 0.00 N ATOM 190 CA VAL A 14 -5.708 2.104 -7.446 1.00 0.00 C ATOM 191 C VAL A 14 -4.342 1.505 -7.084 1.00 0.00 C ATOM 192 O VAL A 14 -3.388 1.664 -7.843 1.00 0.00 O ATOM 193 CB VAL A 14 -6.542 2.737 -6.301 1.00 0.00 C ATOM 194 CG1 VAL A 14 -5.809 3.666 -5.341 1.00 0.00 C ATOM 195 CG2 VAL A 14 -7.709 3.540 -6.898 1.00 0.00 C ATOM 0 H VAL A 14 -7.301 0.799 -7.389 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.458 2.922 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.851 1.875 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.507 4.038 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.005 3.119 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.390 4.506 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.294 3.984 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.317 4.329 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.344 2.877 -7.485 1.00 0.00 H new ATOM 205 N LEU A 15 -4.239 0.738 -5.987 1.00 0.00 N ATOM 206 CA LEU A 15 -2.937 0.269 -5.490 1.00 0.00 C ATOM 207 C LEU A 15 -2.220 -0.639 -6.488 1.00 0.00 C ATOM 208 O LEU A 15 -0.987 -0.667 -6.519 1.00 0.00 O ATOM 209 CB LEU A 15 -3.094 -0.413 -4.116 1.00 0.00 C ATOM 210 CG LEU A 15 -1.776 -0.732 -3.386 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.885 0.500 -3.173 1.00 0.00 C ATOM 212 CD2 LEU A 15 -2.083 -1.334 -2.013 1.00 0.00 C ATOM 0 H LEU A 15 -5.037 0.431 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.303 1.147 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.698 0.230 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.650 -1.341 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.236 -1.431 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.027 0.204 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.628 0.934 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.421 1.237 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.149 -1.559 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.660 -0.621 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.659 -2.251 -2.138 1.00 0.00 H new ATOM 224 N LEU A 16 -2.991 -1.358 -7.308 1.00 0.00 N ATOM 225 CA LEU A 16 -2.459 -2.215 -8.363 1.00 0.00 C ATOM 226 C LEU A 16 -1.834 -1.416 -9.520 1.00 0.00 C ATOM 227 O LEU A 16 -1.024 -1.960 -10.266 1.00 0.00 O ATOM 228 CB LEU A 16 -3.527 -3.185 -8.903 1.00 0.00 C ATOM 229 CG LEU A 16 -4.125 -4.203 -7.907 1.00 0.00 C ATOM 230 CD1 LEU A 16 -4.926 -5.274 -8.656 1.00 0.00 C ATOM 231 CD2 LEU A 16 -3.108 -4.957 -7.044 1.00 0.00 C ATOM 0 H LEU A 16 -4.010 -1.360 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.663 -2.797 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.345 -2.593 -9.312 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.090 -3.741 -9.732 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.736 -3.588 -7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.341 -5.984 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.737 -4.801 -9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.270 -5.800 -9.350 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.633 -5.645 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.430 -5.518 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.537 -4.245 -6.449 1.00 0.00 H new ATOM 243 N SER A 17 -2.138 -0.127 -9.639 1.00 0.00 N ATOM 244 CA SER A 17 -1.547 0.760 -10.631 1.00 0.00 C ATOM 245 C SER A 17 -0.330 1.515 -10.077 1.00 0.00 C ATOM 246 O SER A 17 0.285 2.263 -10.836 1.00 0.00 O ATOM 247 CB SER A 17 -2.636 1.727 -11.110 1.00 0.00 C ATOM 248 OG SER A 17 -2.276 2.409 -12.296 1.00 0.00 O ATOM 0 H SER A 17 -2.816 0.338 -9.035 1.00 0.00 H new ATOM 0 HA SER A 17 -1.175 0.170 -11.469 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.559 1.173 -11.280 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.841 2.455 -10.325 1.00 0.00 H new ATOM 0 HG SER A 17 -1.319 2.621 -12.274 1.00 0.00 H new ATOM 254 N VAL A 18 0.007 1.383 -8.785 1.00 0.00 N ATOM 255 CA VAL A 18 1.106 2.125 -8.160 1.00 0.00 C ATOM 256 C VAL A 18 2.143 1.163 -7.584 1.00 0.00 C ATOM 257 O VAL A 18 3.269 1.112 -8.068 1.00 0.00 O ATOM 258 CB VAL A 18 0.564 3.171 -7.157 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.681 4.034 -6.533 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.424 4.112 -7.862 1.00 0.00 C ATOM 0 H VAL A 18 -0.479 0.755 -8.144 1.00 0.00 H new ATOM 0 HA VAL A 18 1.637 2.705 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 18 0.076 2.609 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.242 4.750 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.381 3.392 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.209 4.571 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.801 4.845 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.083 4.627 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.257 3.533 -8.261 1.00 0.00 H new ATOM 270 N LEU A 19 1.802 0.401 -6.540 1.00 0.00 N ATOM 271 CA LEU A 19 2.790 -0.401 -5.820 1.00 0.00 C ATOM 272 C LEU A 19 3.247 -1.551 -6.706 1.00 0.00 C ATOM 273 O LEU A 19 4.373 -1.568 -7.204 1.00 0.00 O ATOM 274 CB LEU A 19 2.226 -0.894 -4.473 1.00 0.00 C ATOM 275 CG LEU A 19 2.902 -0.289 -3.235 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.309 -0.857 -3.020 1.00 0.00 C ATOM 277 CD2 LEU A 19 2.941 1.237 -3.228 1.00 0.00 C ATOM 0 H LEU A 19 0.852 0.324 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 19 3.658 0.216 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.161 -0.667 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.323 -1.979 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 19 2.267 -0.585 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.753 -0.403 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.249 -1.937 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.928 -0.636 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.434 1.584 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.493 1.591 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.924 1.627 -3.260 1.00 0.00 H new ATOM 289 N GLN A 20 2.345 -2.507 -6.916 1.00 0.00 N ATOM 290 CA GLN A 20 2.582 -3.721 -7.659 1.00 0.00 C ATOM 291 C GLN A 20 3.045 -3.478 -9.093 1.00 0.00 C ATOM 292 O GLN A 20 3.703 -4.338 -9.653 1.00 0.00 O ATOM 293 CB GLN A 20 1.296 -4.542 -7.566 1.00 0.00 C ATOM 294 CG GLN A 20 0.306 -4.348 -8.691 1.00 0.00 C ATOM 295 CD GLN A 20 0.597 -5.126 -9.973 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.974 -6.290 -9.936 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.391 -4.495 -11.113 1.00 0.00 N ATOM 0 H GLN A 20 1.393 -2.445 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 20 3.417 -4.272 -7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.564 -5.598 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.800 -4.300 -6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.683 -4.632 -8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.264 -3.286 -8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.077 -3.525 -11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.546 -4.977 -11.998 1.00 0.00 H new ATOM 306 N GLN A 21 2.741 -2.299 -9.648 1.00 0.00 N ATOM 307 CA GLN A 21 3.009 -1.884 -11.020 1.00 0.00 C ATOM 308 C GLN A 21 4.426 -2.259 -11.461 1.00 0.00 C ATOM 309 O GLN A 21 4.624 -2.603 -12.626 1.00 0.00 O ATOM 310 CB GLN A 21 2.713 -0.376 -11.109 1.00 0.00 C ATOM 311 CG GLN A 21 2.929 0.296 -12.473 1.00 0.00 C ATOM 312 CD GLN A 21 4.312 0.935 -12.593 1.00 0.00 C ATOM 313 OE1 GLN A 21 4.571 2.018 -12.065 1.00 0.00 O ATOM 314 NE2 GLN A 21 5.233 0.317 -13.299 1.00 0.00 N ATOM 0 H GLN A 21 2.272 -1.568 -9.113 1.00 0.00 H new ATOM 0 HA GLN A 21 2.362 -2.413 -11.720 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.676 -0.216 -10.812 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.337 0.136 -10.376 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.803 -0.444 -13.264 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.165 1.058 -12.625 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.023 -0.580 -13.738 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.157 0.734 -13.408 1.00 0.00 H new ATOM 323 N LEU A 22 5.394 -2.241 -10.539 1.00 0.00 N ATOM 324 CA LEU A 22 6.677 -2.915 -10.731 1.00 0.00 C ATOM 325 C LEU A 22 7.267 -3.427 -9.414 1.00 0.00 C ATOM 326 O LEU A 22 7.989 -4.423 -9.419 1.00 0.00 O ATOM 327 CB LEU A 22 7.576 -2.032 -11.618 1.00 0.00 C ATOM 328 CG LEU A 22 8.855 -1.372 -11.095 1.00 0.00 C ATOM 329 CD1 LEU A 22 8.602 -0.393 -9.946 1.00 0.00 C ATOM 330 CD2 LEU A 22 9.911 -2.421 -10.757 1.00 0.00 C ATOM 0 H LEU A 22 5.309 -1.760 -9.643 1.00 0.00 H new ATOM 0 HA LEU A 22 6.556 -3.846 -11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.867 -2.643 -12.472 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.945 -1.230 -12.000 1.00 0.00 H new ATOM 0 HG LEU A 22 9.251 -0.758 -11.904 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.548 0.040 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.937 0.401 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.140 -0.922 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.810 -1.927 -10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.525 -3.092 -9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.154 -2.994 -11.652 1.00 0.00 H new ATOM 342 N ARG A 23 6.960 -2.789 -8.277 1.00 0.00 N ATOM 343 CA ARG A 23 7.710 -2.984 -7.032 1.00 0.00 C ATOM 344 C ARG A 23 7.398 -4.324 -6.378 1.00 0.00 C ATOM 345 O ARG A 23 8.281 -4.927 -5.779 1.00 0.00 O ATOM 346 CB ARG A 23 7.363 -1.874 -6.031 1.00 0.00 C ATOM 347 CG ARG A 23 7.491 -0.441 -6.574 1.00 0.00 C ATOM 348 CD ARG A 23 6.746 0.491 -5.633 1.00 0.00 C ATOM 349 NE ARG A 23 7.117 1.907 -5.797 1.00 0.00 N ATOM 350 CZ ARG A 23 6.601 2.767 -6.687 1.00 0.00 C ATOM 351 NH1 ARG A 23 5.690 2.376 -7.570 1.00 0.00 N ATOM 352 NH2 ARG A 23 6.969 4.043 -6.703 1.00 0.00 N ATOM 0 H ARG A 23 6.189 -2.127 -8.195 1.00 0.00 H new ATOM 0 HA ARG A 23 8.768 -2.958 -7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.340 -2.025 -5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.012 -1.975 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.540 -0.153 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.076 -0.377 -7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.674 0.382 -5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.941 0.189 -4.604 1.00 0.00 H new ATOM 0 HE ARG A 23 7.837 2.269 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.371 1.407 -7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.309 3.044 -8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.656 4.384 -6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.565 4.682 -7.388 1.00 0.00 H new ATOM 366 N VAL A 24 6.132 -4.721 -6.453 1.00 0.00 N ATOM 367 CA VAL A 24 5.584 -5.933 -5.835 1.00 0.00 C ATOM 368 C VAL A 24 4.607 -6.568 -6.824 1.00 0.00 C ATOM 369 O VAL A 24 3.404 -6.621 -6.588 1.00 0.00 O ATOM 370 CB VAL A 24 5.007 -5.640 -4.428 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.979 -4.506 -4.407 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.451 -6.891 -3.730 1.00 0.00 C ATOM 0 H VAL A 24 5.428 -4.189 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 24 6.365 -6.668 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 24 5.868 -5.298 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.620 -4.359 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.444 -3.587 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.140 -4.763 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.062 -6.618 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.649 -7.318 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.247 -7.626 -3.613 1.00 0.00 H new ATOM 382 N GLU A 25 5.120 -6.940 -7.990 1.00 0.00 N ATOM 383 CA GLU A 25 4.316 -7.474 -9.086 1.00 0.00 C ATOM 384 C GLU A 25 3.504 -8.712 -8.664 1.00 0.00 C ATOM 385 O GLU A 25 3.840 -9.391 -7.686 1.00 0.00 O ATOM 386 CB GLU A 25 5.200 -7.730 -10.310 1.00 0.00 C ATOM 387 CG GLU A 25 4.991 -6.706 -11.430 1.00 0.00 C ATOM 388 CD GLU A 25 5.715 -7.116 -12.712 1.00 0.00 C ATOM 389 OE1 GLU A 25 5.211 -7.982 -13.465 1.00 0.00 O ATOM 390 OE2 GLU A 25 6.775 -6.518 -13.011 1.00 0.00 O ATOM 0 H GLU A 25 6.115 -6.880 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 25 3.574 -6.726 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.246 -7.716 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.994 -8.728 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.925 -6.600 -11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.352 -5.731 -11.104 1.00 0.00 H new ATOM 397 N SER A 26 2.437 -8.982 -9.428 1.00 0.00 N ATOM 398 CA SER A 26 1.183 -9.658 -9.075 1.00 0.00 C ATOM 399 C SER A 26 1.252 -11.102 -8.534 1.00 0.00 C ATOM 400 O SER A 26 0.226 -11.762 -8.345 1.00 0.00 O ATOM 401 CB SER A 26 0.256 -9.582 -10.302 1.00 0.00 C ATOM 402 OG SER A 26 0.825 -10.204 -11.444 1.00 0.00 O ATOM 0 H SER A 26 2.431 -8.703 -10.409 1.00 0.00 H new ATOM 0 HA SER A 26 0.807 -9.119 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.695 -10.059 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.041 -8.538 -10.529 1.00 0.00 H new ATOM 0 HG SER A 26 0.203 -10.134 -12.198 1.00 0.00 H new ATOM 408 N SER A 27 2.440 -11.647 -8.327 1.00 0.00 N ATOM 409 CA SER A 27 2.714 -13.064 -8.420 1.00 0.00 C ATOM 410 C SER A 27 2.429 -13.891 -7.154 1.00 0.00 C ATOM 411 O SER A 27 2.696 -15.094 -7.210 1.00 0.00 O ATOM 412 CB SER A 27 4.190 -13.163 -8.815 1.00 0.00 C ATOM 413 OG SER A 27 4.565 -14.484 -9.146 1.00 0.00 O ATOM 0 H SER A 27 3.262 -11.095 -8.082 1.00 0.00 H new ATOM 0 HA SER A 27 2.031 -13.501 -9.149 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.382 -12.509 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.810 -12.806 -7.992 1.00 0.00 H new ATOM 0 HG SER A 27 4.044 -15.116 -8.609 1.00 0.00 H new ATOM 419 N SER A 28 1.992 -13.341 -6.012 1.00 0.00 N ATOM 420 CA SER A 28 1.954 -14.142 -4.783 1.00 0.00 C ATOM 421 C SER A 28 0.939 -13.623 -3.751 1.00 0.00 C ATOM 422 O SER A 28 0.900 -12.436 -3.432 1.00 0.00 O ATOM 423 CB SER A 28 3.391 -14.226 -4.242 1.00 0.00 C ATOM 424 OG SER A 28 3.460 -14.888 -2.995 1.00 0.00 O ATOM 0 H SER A 28 1.670 -12.378 -5.914 1.00 0.00 H new ATOM 0 HA SER A 28 1.591 -15.145 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.018 -14.750 -4.964 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.797 -13.220 -4.139 1.00 0.00 H new ATOM 0 HG SER A 28 4.391 -14.919 -2.692 1.00 0.00 H new ATOM 430 N LYS A 29 0.149 -14.542 -3.190 1.00 0.00 N ATOM 431 CA LYS A 29 -1.052 -14.297 -2.388 1.00 0.00 C ATOM 432 C LYS A 29 -0.815 -13.510 -1.105 1.00 0.00 C ATOM 433 O LYS A 29 -1.680 -12.725 -0.726 1.00 0.00 O ATOM 434 CB LYS A 29 -1.689 -15.658 -2.054 1.00 0.00 C ATOM 435 CG LYS A 29 -3.192 -15.761 -2.332 1.00 0.00 C ATOM 436 CD LYS A 29 -4.062 -15.126 -1.244 1.00 0.00 C ATOM 437 CE LYS A 29 -5.505 -15.582 -1.483 1.00 0.00 C ATOM 438 NZ LYS A 29 -6.343 -15.443 -0.279 1.00 0.00 N ATOM 0 H LYS A 29 0.343 -15.538 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.711 -13.669 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.176 -16.431 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.515 -15.873 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.410 -15.281 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.463 -16.812 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.722 -15.432 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.992 -14.039 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.939 -14.997 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.506 -16.623 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.310 -15.764 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.946 -16.021 0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.366 -14.446 0.015 1.00 0.00 H new ATOM 452 N LEU A 30 0.303 -13.711 -0.407 1.00 0.00 N ATOM 453 CA LEU A 30 0.614 -13.015 0.839 1.00 0.00 C ATOM 454 C LEU A 30 0.543 -11.499 0.646 1.00 0.00 C ATOM 455 O LEU A 30 -0.108 -10.806 1.429 1.00 0.00 O ATOM 456 CB LEU A 30 1.952 -13.567 1.359 1.00 0.00 C ATOM 457 CG LEU A 30 2.855 -12.729 2.277 1.00 0.00 C ATOM 458 CD1 LEU A 30 3.760 -11.753 1.525 1.00 0.00 C ATOM 459 CD2 LEU A 30 2.165 -12.022 3.440 1.00 0.00 C ATOM 0 H LEU A 30 1.026 -14.370 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.126 -13.204 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.730 -14.493 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.547 -13.835 0.486 1.00 0.00 H new ATOM 0 HG LEU A 30 3.476 -13.501 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.368 -11.197 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.411 -12.307 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.148 -11.058 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.903 -11.463 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.411 -11.336 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.687 -12.761 4.083 1.00 0.00 H new ATOM 471 N TRP A 31 1.117 -10.975 -0.434 1.00 0.00 N ATOM 472 CA TRP A 31 1.062 -9.549 -0.731 1.00 0.00 C ATOM 473 C TRP A 31 -0.406 -9.103 -0.851 1.00 0.00 C ATOM 474 O TRP A 31 -0.813 -8.076 -0.303 1.00 0.00 O ATOM 475 CB TRP A 31 1.857 -9.251 -2.011 1.00 0.00 C ATOM 476 CG TRP A 31 1.283 -8.208 -2.919 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.350 -6.872 -2.743 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.526 -8.399 -4.150 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.759 -6.241 -3.816 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.245 -7.131 -4.720 1.00 0.00 C ATOM 481 CE3 TRP A 31 0.028 -9.517 -4.836 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.453 -6.980 -5.923 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.646 -9.390 -6.062 1.00 0.00 C ATOM 484 CH2 TRP A 31 -0.868 -8.120 -6.620 1.00 0.00 C ATOM 0 H TRP A 31 1.630 -11.524 -1.123 1.00 0.00 H new ATOM 0 HA TRP A 31 1.519 -8.982 0.080 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.862 -8.941 -1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.958 -10.178 -2.575 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.797 -6.375 -1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.710 -5.228 -3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.166 -10.500 -4.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.669 -5.995 -6.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.995 -10.272 -6.578 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.355 -8.024 -7.579 1.00 0.00 H new ATOM 495 N ALA A 32 -1.217 -9.901 -1.549 1.00 0.00 N ATOM 496 CA ALA A 32 -2.634 -9.665 -1.799 1.00 0.00 C ATOM 497 C ALA A 32 -3.471 -9.689 -0.513 1.00 0.00 C ATOM 498 O ALA A 32 -4.475 -8.974 -0.418 1.00 0.00 O ATOM 499 CB ALA A 32 -3.182 -10.684 -2.802 1.00 0.00 C ATOM 0 H ALA A 32 -0.885 -10.767 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.715 -8.663 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.241 -10.491 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.639 -10.597 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.057 -11.691 -2.403 1.00 0.00 H new ATOM 505 N GLN A 33 -3.055 -10.457 0.497 1.00 0.00 N ATOM 506 CA GLN A 33 -3.644 -10.438 1.835 1.00 0.00 C ATOM 507 C GLN A 33 -3.413 -9.081 2.531 1.00 0.00 C ATOM 508 O GLN A 33 -4.123 -8.784 3.492 1.00 0.00 O ATOM 509 CB GLN A 33 -3.126 -11.621 2.682 1.00 0.00 C ATOM 510 CG GLN A 33 -3.618 -12.980 2.150 1.00 0.00 C ATOM 511 CD GLN A 33 -2.970 -14.183 2.844 1.00 0.00 C ATOM 512 OE1 GLN A 33 -1.801 -14.173 3.227 1.00 0.00 O ATOM 513 NE2 GLN A 33 -3.704 -15.271 3.005 1.00 0.00 N ATOM 0 H GLN A 33 -2.286 -11.121 0.405 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.722 -10.560 1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.036 -11.609 2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.454 -11.497 3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.699 -13.039 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.416 -13.036 1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.674 -15.283 2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.301 -16.098 3.445 1.00 0.00 H new ATOM 522 N CYS A 34 -2.517 -8.227 2.019 1.00 0.00 N ATOM 523 CA CYS A 34 -2.365 -6.826 2.406 1.00 0.00 C ATOM 524 C CYS A 34 -3.004 -5.881 1.409 1.00 0.00 C ATOM 525 O CYS A 34 -3.476 -4.808 1.798 1.00 0.00 O ATOM 526 CB CYS A 34 -0.877 -6.515 2.568 1.00 0.00 C ATOM 527 SG CYS A 34 -0.598 -5.482 4.030 1.00 0.00 S ATOM 0 H CYS A 34 -1.854 -8.508 1.296 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.884 -6.674 3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.314 -7.444 2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.508 -6.004 1.679 1.00 0.00 H new ATOM 0 HG CYS A 34 0.672 -5.232 4.149 1.00 0.00 H new ATOM 533 N VAL A 35 -3.092 -6.272 0.138 1.00 0.00 N ATOM 534 CA VAL A 35 -3.802 -5.445 -0.810 1.00 0.00 C ATOM 535 C VAL A 35 -5.262 -5.297 -0.352 1.00 0.00 C ATOM 536 O VAL A 35 -5.782 -4.189 -0.426 1.00 0.00 O ATOM 537 CB VAL A 35 -3.670 -5.965 -2.251 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.525 -5.156 -3.229 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.228 -5.822 -2.728 1.00 0.00 C ATOM 0 H VAL A 35 -2.691 -7.130 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.349 -4.454 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.996 -7.005 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.403 -5.556 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.573 -5.222 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.209 -4.113 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.144 -6.193 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.937 -4.772 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.571 -6.399 -2.078 1.00 0.00 H new ATOM 549 N GLN A 36 -5.914 -6.340 0.166 1.00 0.00 N ATOM 550 CA GLN A 36 -7.297 -6.237 0.654 1.00 0.00 C ATOM 551 C GLN A 36 -7.463 -5.086 1.665 1.00 0.00 C ATOM 552 O GLN A 36 -8.417 -4.308 1.583 1.00 0.00 O ATOM 553 CB GLN A 36 -7.807 -7.569 1.238 1.00 0.00 C ATOM 554 CG GLN A 36 -6.883 -8.215 2.283 1.00 0.00 C ATOM 555 CD GLN A 36 -7.529 -9.326 3.108 1.00 0.00 C ATOM 556 OE1 GLN A 36 -8.740 -9.550 3.063 1.00 0.00 O ATOM 557 NE2 GLN A 36 -6.730 -9.992 3.928 1.00 0.00 N ATOM 0 H GLN A 36 -5.507 -7.271 0.260 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.916 -6.006 -0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.783 -7.399 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.955 -8.274 0.420 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.009 -8.621 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.525 -7.440 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.731 -9.787 3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.114 -10.710 4.542 1.00 0.00 H new ATOM 566 N LEU A 37 -6.523 -4.948 2.605 1.00 0.00 N ATOM 567 CA LEU A 37 -6.532 -3.935 3.638 1.00 0.00 C ATOM 568 C LEU A 37 -6.402 -2.549 3.033 1.00 0.00 C ATOM 569 O LEU A 37 -7.104 -1.649 3.481 1.00 0.00 O ATOM 570 CB LEU A 37 -5.418 -4.194 4.674 1.00 0.00 C ATOM 571 CG LEU A 37 -5.942 -4.356 6.112 1.00 0.00 C ATOM 572 CD1 LEU A 37 -6.675 -3.102 6.607 1.00 0.00 C ATOM 573 CD2 LEU A 37 -6.844 -5.594 6.235 1.00 0.00 C ATOM 0 H LEU A 37 -5.712 -5.564 2.660 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.489 -3.988 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.872 -5.094 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.707 -3.368 4.646 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.071 -4.497 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.026 -3.264 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.994 -2.251 6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.527 -2.898 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.200 -5.684 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.696 -5.492 5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.277 -6.486 5.968 1.00 0.00 H new ATOM 585 N HIS A 38 -5.586 -2.351 1.988 1.00 0.00 N ATOM 586 CA HIS A 38 -5.479 -1.036 1.356 1.00 0.00 C ATOM 587 C HIS A 38 -6.845 -0.445 0.972 1.00 0.00 C ATOM 588 O HIS A 38 -6.988 0.774 1.011 1.00 0.00 O ATOM 589 CB HIS A 38 -4.535 -1.045 0.152 1.00 0.00 C ATOM 590 CG HIS A 38 -5.212 -0.975 -1.212 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.576 -2.068 -1.957 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.667 0.134 -1.880 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.255 -1.657 -3.031 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.352 -0.313 -3.001 1.00 0.00 N ATOM 0 H HIS A 38 -5.000 -3.074 1.570 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.047 -0.383 2.114 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.851 -0.201 0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.931 -1.951 0.193 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.362 -3.039 -1.727 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.519 1.163 -1.588 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.661 -2.298 -3.800 1.00 0.00 H new ATOM 603 N ASN A 39 -7.823 -1.275 0.574 1.00 0.00 N ATOM 604 CA ASN A 39 -9.161 -0.817 0.172 1.00 0.00 C ATOM 605 C ASN A 39 -9.900 -0.181 1.352 1.00 0.00 C ATOM 606 O ASN A 39 -10.738 0.715 1.228 1.00 0.00 O ATOM 607 CB ASN A 39 -9.996 -2.001 -0.346 1.00 0.00 C ATOM 608 CG ASN A 39 -11.214 -1.527 -1.135 1.00 0.00 C ATOM 609 OD1 ASN A 39 -11.129 -0.531 -1.848 1.00 0.00 O ATOM 610 ND2 ASN A 39 -12.319 -2.247 -1.101 1.00 0.00 N ATOM 0 H ASN A 39 -7.706 -2.287 0.522 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.032 -0.075 -0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.376 -2.635 -0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.322 -2.613 0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.120 -1.979 -1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.372 -3.072 -0.503 1.00 0.00 H new ATOM 617 N ASP A 40 -9.562 -0.634 2.550 1.00 0.00 N ATOM 618 CA ASP A 40 -10.106 -0.140 3.790 1.00 0.00 C ATOM 619 C ASP A 40 -9.283 1.040 4.309 1.00 0.00 C ATOM 620 O ASP A 40 -9.846 2.015 4.800 1.00 0.00 O ATOM 621 CB ASP A 40 -10.197 -1.302 4.788 1.00 0.00 C ATOM 622 CG ASP A 40 -11.480 -2.125 4.743 1.00 0.00 C ATOM 623 OD1 ASP A 40 -11.582 -3.017 3.871 1.00 0.00 O ATOM 624 OD2 ASP A 40 -12.331 -1.990 5.647 1.00 0.00 O ATOM 0 H ASP A 40 -8.879 -1.380 2.682 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.114 0.247 3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.354 -1.971 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.082 -0.900 5.795 1.00 0.00 H new ATOM 629 N ILE A 41 -7.968 1.035 4.107 1.00 0.00 N ATOM 630 CA ILE A 41 -7.054 2.106 4.474 1.00 0.00 C ATOM 631 C ILE A 41 -7.439 3.449 3.838 1.00 0.00 C ATOM 632 O ILE A 41 -7.058 4.461 4.404 1.00 0.00 O ATOM 633 CB ILE A 41 -5.607 1.659 4.159 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.191 0.457 5.049 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.554 2.759 4.278 1.00 0.00 C ATOM 636 CD1 ILE A 41 -4.789 0.795 6.493 1.00 0.00 C ATOM 0 H ILE A 41 -7.493 0.249 3.664 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.124 2.291 5.546 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.634 1.370 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.020 -0.251 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.355 -0.052 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.572 2.350 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.790 3.566 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.547 3.147 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.519 -0.120 7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.936 1.474 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.627 1.272 7.002 1.00 0.00 H new ATOM 648 N LEU A 42 -8.269 3.528 2.781 1.00 0.00 N ATOM 649 CA LEU A 42 -8.793 4.816 2.300 1.00 0.00 C ATOM 650 C LEU A 42 -9.517 5.623 3.395 1.00 0.00 C ATOM 651 O LEU A 42 -9.652 6.832 3.233 1.00 0.00 O ATOM 652 CB LEU A 42 -9.739 4.669 1.098 1.00 0.00 C ATOM 653 CG LEU A 42 -9.163 4.281 -0.269 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.714 4.710 -0.477 1.00 0.00 C ATOM 655 CD2 LEU A 42 -9.285 2.777 -0.480 1.00 0.00 C ATOM 0 H LEU A 42 -8.588 2.719 2.248 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.903 5.362 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.489 3.923 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.262 5.617 0.975 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.754 4.823 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.381 4.399 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.640 5.794 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.084 4.244 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.873 2.512 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.734 2.254 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.335 2.488 -0.439 1.00 0.00 H new ATOM 667 N LEU A 43 -9.960 4.988 4.491 1.00 0.00 N ATOM 668 CA LEU A 43 -10.548 5.583 5.700 1.00 0.00 C ATOM 669 C LEU A 43 -9.714 5.272 6.928 1.00 0.00 C ATOM 670 O LEU A 43 -10.244 4.937 7.990 1.00 0.00 O ATOM 671 CB LEU A 43 -12.013 5.155 5.873 1.00 0.00 C ATOM 672 CG LEU A 43 -12.883 5.648 4.719 1.00 0.00 C ATOM 673 CD1 LEU A 43 -14.351 5.342 4.942 1.00 0.00 C ATOM 674 CD2 LEU A 43 -12.723 7.143 4.506 1.00 0.00 C ATOM 0 H LEU A 43 -9.913 3.971 4.560 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.543 6.666 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.070 4.068 5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.399 5.548 6.814 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.542 5.113 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.932 5.710 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.488 4.265 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.690 5.831 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.355 7.462 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.017 7.673 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.682 7.368 4.275 1.00 0.00 H new ATOM 686 N ALA A 44 -8.397 5.393 6.776 1.00 0.00 N ATOM 687 CA ALA A 44 -7.502 5.107 7.905 1.00 0.00 C ATOM 688 C ALA A 44 -7.413 6.272 8.892 1.00 0.00 C ATOM 689 O ALA A 44 -6.894 6.106 9.994 1.00 0.00 O ATOM 690 CB ALA A 44 -6.094 4.776 7.433 1.00 0.00 C ATOM 0 H ALA A 44 -7.933 5.677 5.913 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.938 4.246 8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.460 4.570 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.124 3.899 6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.688 5.622 6.878 1.00 0.00 H new ATOM 696 N LYS A 45 -7.859 7.456 8.467 1.00 0.00 N ATOM 697 CA LYS A 45 -8.039 8.655 9.271 1.00 0.00 C ATOM 698 C LYS A 45 -8.848 9.611 8.401 1.00 0.00 C ATOM 699 O LYS A 45 -10.027 9.866 8.657 1.00 0.00 O ATOM 700 CB LYS A 45 -6.675 9.247 9.680 1.00 0.00 C ATOM 701 CG LYS A 45 -6.693 10.097 10.957 1.00 0.00 C ATOM 702 CD LYS A 45 -6.476 9.305 12.248 1.00 0.00 C ATOM 703 CE LYS A 45 -5.093 8.634 12.277 1.00 0.00 C ATOM 704 NZ LYS A 45 -4.767 8.078 13.604 1.00 0.00 N ATOM 0 H LYS A 45 -8.118 7.607 7.492 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.560 8.451 10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.967 8.429 9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.301 9.859 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.920 10.862 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.650 10.616 11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.575 9.971 13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.251 8.545 12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.063 7.837 11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.333 9.362 11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.826 7.636 13.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.769 8.841 14.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.476 7.364 13.865 1.00 0.00 H new ATOM 718 N ASP A 46 -8.224 10.038 7.309 1.00 0.00 N ATOM 719 CA ASP A 46 -8.684 11.005 6.310 1.00 0.00 C ATOM 720 C ASP A 46 -7.936 10.710 5.027 1.00 0.00 C ATOM 721 O ASP A 46 -6.933 10.006 5.081 1.00 0.00 O ATOM 722 CB ASP A 46 -8.295 12.442 6.661 1.00 0.00 C ATOM 723 CG ASP A 46 -9.103 12.993 7.824 1.00 0.00 C ATOM 724 OD1 ASP A 46 -10.233 13.485 7.597 1.00 0.00 O ATOM 725 OD2 ASP A 46 -8.619 12.873 8.970 1.00 0.00 O ATOM 0 H ASP A 46 -7.296 9.685 7.076 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.769 10.919 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.234 12.478 6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.440 13.078 5.788 1.00 0.00 H new ATOM 730 N THR A 47 -8.350 11.315 3.917 1.00 0.00 N ATOM 731 CA THR A 47 -7.899 11.030 2.568 1.00 0.00 C ATOM 732 C THR A 47 -6.381 10.972 2.426 1.00 0.00 C ATOM 733 O THR A 47 -5.877 10.040 1.788 1.00 0.00 O ATOM 734 CB THR A 47 -8.498 12.074 1.621 1.00 0.00 C ATOM 735 OG1 THR A 47 -8.138 13.393 1.980 1.00 0.00 O ATOM 736 CG2 THR A 47 -10.015 11.987 1.571 1.00 0.00 C ATOM 0 H THR A 47 -9.048 12.058 3.942 1.00 0.00 H new ATOM 0 HA THR A 47 -8.248 10.030 2.308 1.00 0.00 H new ATOM 0 HB THR A 47 -8.086 11.847 0.638 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.540 14.025 1.348 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.401 12.744 0.888 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.311 10.998 1.221 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.422 12.156 2.568 1.00 0.00 H new ATOM 744 N THR A 48 -5.668 11.960 2.972 1.00 0.00 N ATOM 745 CA THR A 48 -4.221 12.002 2.969 1.00 0.00 C ATOM 746 C THR A 48 -3.687 10.839 3.795 1.00 0.00 C ATOM 747 O THR A 48 -3.146 9.915 3.203 1.00 0.00 O ATOM 748 CB THR A 48 -3.746 13.395 3.411 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.065 14.306 2.377 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.241 13.477 3.642 1.00 0.00 C ATOM 0 H THR A 48 -6.096 12.762 3.434 1.00 0.00 H new ATOM 0 HA THR A 48 -3.812 11.865 1.968 1.00 0.00 H new ATOM 0 HB THR A 48 -4.239 13.622 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.774 15.206 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.975 14.488 3.952 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.954 12.771 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.717 13.231 2.718 1.00 0.00 H new ATOM 758 N GLU A 49 -3.892 10.850 5.115 1.00 0.00 N ATOM 759 CA GLU A 49 -3.362 9.873 6.076 1.00 0.00 C ATOM 760 C GLU A 49 -3.558 8.430 5.599 1.00 0.00 C ATOM 761 O GLU A 49 -2.708 7.554 5.729 1.00 0.00 O ATOM 762 CB GLU A 49 -4.133 10.072 7.397 1.00 0.00 C ATOM 763 CG GLU A 49 -3.274 10.334 8.629 1.00 0.00 C ATOM 764 CD GLU A 49 -2.276 9.205 8.847 1.00 0.00 C ATOM 765 OE1 GLU A 49 -2.667 8.165 9.430 1.00 0.00 O ATOM 766 OE2 GLU A 49 -1.114 9.374 8.412 1.00 0.00 O ATOM 0 H GLU A 49 -4.456 11.571 5.565 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.290 10.033 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.822 10.908 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.738 9.184 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.741 11.278 8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.912 10.435 9.507 1.00 0.00 H new ATOM 773 N ALA A 50 -4.736 8.222 5.033 1.00 0.00 N ATOM 774 CA ALA A 50 -5.247 7.012 4.461 1.00 0.00 C ATOM 775 C ALA A 50 -4.339 6.519 3.354 1.00 0.00 C ATOM 776 O ALA A 50 -3.561 5.584 3.525 1.00 0.00 O ATOM 777 CB ALA A 50 -6.660 7.335 3.968 1.00 0.00 C ATOM 0 H ALA A 50 -5.416 8.979 4.962 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.284 6.201 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.101 6.445 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.273 7.660 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.613 8.130 3.224 1.00 0.00 H new ATOM 783 N PHE A 51 -4.471 7.133 2.188 1.00 0.00 N ATOM 784 CA PHE A 51 -3.702 6.737 1.020 1.00 0.00 C ATOM 785 C PHE A 51 -2.179 6.835 1.286 1.00 0.00 C ATOM 786 O PHE A 51 -1.391 6.095 0.697 1.00 0.00 O ATOM 787 CB PHE A 51 -4.166 7.520 -0.219 1.00 0.00 C ATOM 788 CG PHE A 51 -2.981 8.024 -1.032 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.383 7.155 -1.967 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.301 9.201 -0.652 1.00 0.00 C ATOM 791 CE1 PHE A 51 -1.142 7.478 -2.537 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.026 9.485 -1.180 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.449 8.623 -2.130 1.00 0.00 C ATOM 0 H PHE A 51 -5.108 7.913 2.026 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.892 5.685 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.792 6.881 -0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.782 8.364 0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.881 6.238 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.759 9.886 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.718 6.837 -3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.491 10.365 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.524 8.844 -2.543 1.00 0.00 H new ATOM 803 N GLU A 52 -1.728 7.706 2.181 1.00 0.00 N ATOM 804 CA GLU A 52 -0.349 7.725 2.609 1.00 0.00 C ATOM 805 C GLU A 52 0.044 6.368 3.184 1.00 0.00 C ATOM 806 O GLU A 52 0.993 5.754 2.692 1.00 0.00 O ATOM 807 CB GLU A 52 -0.147 8.900 3.571 1.00 0.00 C ATOM 808 CG GLU A 52 0.000 10.144 2.679 1.00 0.00 C ATOM 809 CD GLU A 52 0.417 11.425 3.392 1.00 0.00 C ATOM 810 OE1 GLU A 52 0.346 11.506 4.639 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.772 12.383 2.659 1.00 0.00 O ATOM 0 H GLU A 52 -2.312 8.414 2.625 1.00 0.00 H new ATOM 0 HA GLU A 52 0.323 7.887 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.994 9.002 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.739 8.753 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.734 9.927 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.951 10.323 2.177 1.00 0.00 H new ATOM 818 N LYS A 53 -0.728 5.836 4.133 1.00 0.00 N ATOM 819 CA LYS A 53 -0.374 4.576 4.769 1.00 0.00 C ATOM 820 C LYS A 53 -0.695 3.398 3.854 1.00 0.00 C ATOM 821 O LYS A 53 -0.048 2.366 3.980 1.00 0.00 O ATOM 822 CB LYS A 53 -1.021 4.477 6.160 1.00 0.00 C ATOM 823 CG LYS A 53 -0.304 5.426 7.142 1.00 0.00 C ATOM 824 CD LYS A 53 -0.800 5.266 8.586 1.00 0.00 C ATOM 825 CE LYS A 53 0.187 5.881 9.589 1.00 0.00 C ATOM 826 NZ LYS A 53 0.062 7.341 9.746 1.00 0.00 N ATOM 0 H LYS A 53 -1.593 6.257 4.472 1.00 0.00 H new ATOM 0 HA LYS A 53 0.703 4.540 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.078 4.735 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.964 3.451 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.769 5.236 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.456 6.457 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.774 5.743 8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.937 4.208 8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.041 5.409 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.203 5.647 9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.995 7.749 9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.306 7.755 8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.592 7.551 10.527 1.00 0.00 H new ATOM 840 N MET A 54 -1.608 3.550 2.886 1.00 0.00 N ATOM 841 CA MET A 54 -1.928 2.574 1.836 1.00 0.00 C ATOM 842 C MET A 54 -0.673 2.115 1.104 1.00 0.00 C ATOM 843 O MET A 54 -0.510 0.944 0.762 1.00 0.00 O ATOM 844 CB MET A 54 -2.864 3.238 0.821 1.00 0.00 C ATOM 845 CG MET A 54 -3.204 2.366 -0.392 1.00 0.00 C ATOM 846 SD MET A 54 -3.302 3.218 -1.988 1.00 0.00 S ATOM 847 CE MET A 54 -4.863 4.090 -1.826 1.00 0.00 C ATOM 0 H MET A 54 -2.171 4.397 2.810 1.00 0.00 H new ATOM 0 HA MET A 54 -2.397 1.707 2.302 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.790 3.514 1.326 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.404 4.162 0.471 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.454 1.579 -0.469 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.160 1.877 -0.205 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.854 4.974 -2.464 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.679 3.434 -2.127 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.005 4.393 -0.788 1.00 0.00 H new ATOM 857 N VAL A 55 0.152 3.082 0.753 1.00 0.00 N ATOM 858 CA VAL A 55 1.405 2.868 0.072 1.00 0.00 C ATOM 859 C VAL A 55 2.407 2.304 1.080 1.00 0.00 C ATOM 860 O VAL A 55 3.160 1.401 0.713 1.00 0.00 O ATOM 861 CB VAL A 55 1.766 4.222 -0.557 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.136 4.283 -1.220 1.00 0.00 C ATOM 863 CG2 VAL A 55 0.746 4.582 -1.646 1.00 0.00 C ATOM 0 H VAL A 55 -0.041 4.066 0.941 1.00 0.00 H new ATOM 0 HA VAL A 55 1.381 2.132 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 55 1.766 4.916 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.296 5.279 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.908 4.068 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.186 3.545 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.009 5.543 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.753 3.814 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.249 4.645 -1.206 1.00 0.00 H new ATOM 873 N SER A 56 2.361 2.750 2.341 1.00 0.00 N ATOM 874 CA SER A 56 3.332 2.367 3.342 1.00 0.00 C ATOM 875 C SER A 56 3.299 0.881 3.628 1.00 0.00 C ATOM 876 O SER A 56 4.331 0.246 3.423 1.00 0.00 O ATOM 877 CB SER A 56 3.233 3.239 4.597 1.00 0.00 C ATOM 878 OG SER A 56 3.315 4.595 4.203 1.00 0.00 O ATOM 0 H SER A 56 1.643 3.388 2.685 1.00 0.00 H new ATOM 0 HA SER A 56 4.322 2.560 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.294 3.051 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.037 2.996 5.292 1.00 0.00 H new ATOM 0 HG SER A 56 3.082 5.171 4.961 1.00 0.00 H new ATOM 884 N LEU A 57 2.137 0.315 3.985 1.00 0.00 N ATOM 885 CA LEU A 57 1.950 -1.117 4.230 1.00 0.00 C ATOM 886 C LEU A 57 2.696 -1.925 3.200 1.00 0.00 C ATOM 887 O LEU A 57 3.586 -2.683 3.559 1.00 0.00 O ATOM 888 CB LEU A 57 0.481 -1.599 4.256 1.00 0.00 C ATOM 889 CG LEU A 57 -0.542 -0.756 3.471 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.311 -1.565 2.415 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.590 -0.199 4.431 1.00 0.00 C ATOM 0 H LEU A 57 1.282 0.856 4.114 1.00 0.00 H new ATOM 0 HA LEU A 57 2.344 -1.273 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.451 -2.617 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.157 -1.644 5.296 1.00 0.00 H new ATOM 0 HG LEU A 57 0.034 0.025 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.015 -0.913 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.608 -1.984 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.856 -2.374 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.313 0.397 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.104 -1.023 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.103 0.427 5.179 1.00 0.00 H new ATOM 903 N LEU A 58 2.342 -1.764 1.926 1.00 0.00 N ATOM 904 CA LEU A 58 2.875 -2.632 0.895 1.00 0.00 C ATOM 905 C LEU A 58 4.373 -2.465 0.683 1.00 0.00 C ATOM 906 O LEU A 58 4.984 -3.394 0.167 1.00 0.00 O ATOM 907 CB LEU A 58 2.116 -2.451 -0.422 1.00 0.00 C ATOM 908 CG LEU A 58 1.352 -3.716 -0.803 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.173 -4.038 0.122 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.855 -3.544 -2.239 1.00 0.00 C ATOM 0 H LEU A 58 1.696 -1.048 1.593 1.00 0.00 H new ATOM 0 HA LEU A 58 2.726 -3.652 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.420 -1.617 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.818 -2.195 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 58 2.036 -4.559 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.317 -4.951 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.537 -4.178 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.541 -3.214 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.303 -4.434 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.200 -2.674 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.707 -3.401 -2.904 1.00 0.00 H new ATOM 922 N SER A 59 4.961 -1.333 1.064 1.00 0.00 N ATOM 923 CA SER A 59 6.402 -1.175 1.085 1.00 0.00 C ATOM 924 C SER A 59 7.034 -2.000 2.203 1.00 0.00 C ATOM 925 O SER A 59 7.952 -2.772 1.960 1.00 0.00 O ATOM 926 CB SER A 59 6.754 0.312 1.151 1.00 0.00 C ATOM 927 OG SER A 59 6.324 0.991 -0.022 1.00 0.00 O ATOM 0 H SER A 59 4.448 -0.505 1.365 1.00 0.00 H new ATOM 0 HA SER A 59 6.827 -1.567 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.287 0.761 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.831 0.429 1.269 1.00 0.00 H new ATOM 0 HG SER A 59 5.367 1.188 0.047 1.00 0.00 H new ATOM 933 N VAL A 60 6.508 -1.917 3.416 1.00 0.00 N ATOM 934 CA VAL A 60 7.080 -2.626 4.562 1.00 0.00 C ATOM 935 C VAL A 60 6.891 -4.133 4.361 1.00 0.00 C ATOM 936 O VAL A 60 7.828 -4.910 4.528 1.00 0.00 O ATOM 937 CB VAL A 60 6.464 -2.189 5.907 1.00 0.00 C ATOM 938 CG1 VAL A 60 7.510 -2.241 7.029 1.00 0.00 C ATOM 939 CG2 VAL A 60 5.758 -0.837 5.904 1.00 0.00 C ATOM 0 H VAL A 60 5.681 -1.363 3.638 1.00 0.00 H new ATOM 0 HA VAL A 60 8.140 -2.375 4.611 1.00 0.00 H new ATOM 0 HB VAL A 60 5.674 -2.917 6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.052 -1.929 7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.885 -3.259 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.336 -1.572 6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.363 -0.630 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.467 -0.057 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.939 -0.856 5.185 1.00 0.00 H new ATOM 949 N LEU A 61 5.696 -4.546 3.935 1.00 0.00 N ATOM 950 CA LEU A 61 5.293 -5.909 3.612 1.00 0.00 C ATOM 951 C LEU A 61 6.187 -6.499 2.520 1.00 0.00 C ATOM 952 O LEU A 61 6.397 -7.710 2.503 1.00 0.00 O ATOM 953 CB LEU A 61 3.796 -5.830 3.244 1.00 0.00 C ATOM 954 CG LEU A 61 3.111 -6.876 2.346 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.610 -6.836 0.895 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.111 -8.292 2.922 1.00 0.00 C ATOM 0 H LEU A 61 4.931 -3.885 3.798 1.00 0.00 H new ATOM 0 HA LEU A 61 5.418 -6.597 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.244 -5.815 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.642 -4.861 2.769 1.00 0.00 H new ATOM 0 HG LEU A 61 2.063 -6.576 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.091 -7.596 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.412 -5.852 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.682 -7.031 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.610 -8.967 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.138 -8.624 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.585 -8.296 3.877 1.00 0.00 H new ATOM 968 N LEU A 62 6.779 -5.683 1.640 1.00 0.00 N ATOM 969 CA LEU A 62 7.705 -6.159 0.625 1.00 0.00 C ATOM 970 C LEU A 62 8.918 -6.818 1.300 1.00 0.00 C ATOM 971 O LEU A 62 9.502 -7.727 0.723 1.00 0.00 O ATOM 972 CB LEU A 62 8.030 -4.983 -0.314 1.00 0.00 C ATOM 973 CG LEU A 62 8.695 -5.256 -1.674 1.00 0.00 C ATOM 974 CD1 LEU A 62 8.112 -6.464 -2.408 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.549 -3.988 -2.527 1.00 0.00 C ATOM 0 H LEU A 62 6.625 -4.675 1.618 1.00 0.00 H new ATOM 0 HA LEU A 62 7.275 -6.942 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.097 -4.454 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.677 -4.298 0.234 1.00 0.00 H new ATOM 0 HG LEU A 62 9.742 -5.502 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.629 -6.596 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.241 -7.358 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.050 -6.300 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.012 -4.149 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.492 -3.759 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.040 -3.154 -2.026 1.00 0.00 H new ATOM 987 N SER A 63 9.211 -6.482 2.565 1.00 0.00 N ATOM 988 CA SER A 63 10.274 -7.090 3.361 1.00 0.00 C ATOM 989 C SER A 63 10.086 -8.599 3.438 1.00 0.00 C ATOM 990 O SER A 63 10.969 -9.356 3.025 1.00 0.00 O ATOM 991 CB SER A 63 10.396 -6.475 4.765 1.00 0.00 C ATOM 992 OG SER A 63 10.484 -5.058 4.734 1.00 0.00 O ATOM 0 H SER A 63 8.698 -5.760 3.071 1.00 0.00 H new ATOM 0 HA SER A 63 11.214 -6.877 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.533 -6.769 5.363 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.279 -6.880 5.260 1.00 0.00 H new ATOM 0 HG SER A 63 9.583 -4.674 4.750 1.00 0.00 H new ATOM 998 N MET A 64 8.922 -9.033 3.919 1.00 0.00 N ATOM 999 CA MET A 64 8.601 -10.448 3.998 1.00 0.00 C ATOM 1000 C MET A 64 8.306 -11.039 2.632 1.00 0.00 C ATOM 1001 O MET A 64 8.462 -12.249 2.462 1.00 0.00 O ATOM 1002 CB MET A 64 7.419 -10.711 4.921 1.00 0.00 C ATOM 1003 CG MET A 64 6.077 -10.097 4.488 1.00 0.00 C ATOM 1004 SD MET A 64 4.725 -10.418 5.662 1.00 0.00 S ATOM 1005 CE MET A 64 4.936 -12.191 5.973 1.00 0.00 C ATOM 0 H MET A 64 8.185 -8.417 4.261 1.00 0.00 H new ATOM 0 HA MET A 64 9.486 -10.934 4.409 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.289 -11.789 5.015 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.666 -10.332 5.913 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.199 -9.020 4.371 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.802 -10.494 3.511 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.054 -12.578 6.484 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.065 -12.714 5.025 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.815 -12.349 6.597 1.00 0.00 H new ATOM 1015 N GLN A 65 7.865 -10.208 1.682 1.00 0.00 N ATOM 1016 CA GLN A 65 7.554 -10.687 0.352 1.00 0.00 C ATOM 1017 C GLN A 65 8.858 -11.118 -0.363 1.00 0.00 C ATOM 1018 O GLN A 65 8.807 -11.923 -1.295 1.00 0.00 O ATOM 1019 CB GLN A 65 6.809 -9.607 -0.464 1.00 0.00 C ATOM 1020 CG GLN A 65 5.644 -10.097 -1.339 1.00 0.00 C ATOM 1021 CD GLN A 65 5.975 -11.341 -2.166 1.00 0.00 C ATOM 1022 OE1 GLN A 65 5.820 -12.459 -1.678 1.00 0.00 O ATOM 1023 NE2 GLN A 65 6.330 -11.225 -3.429 1.00 0.00 N ATOM 0 H GLN A 65 7.719 -9.208 1.818 1.00 0.00 H new ATOM 0 HA GLN A 65 6.894 -11.550 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.425 -8.859 0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.532 -9.105 -1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.788 -10.314 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.344 -9.294 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.460 -10.300 -3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.475 -12.060 -3.997 1.00 0.00 H new ATOM 1032 N GLY A 66 10.015 -10.569 0.038 1.00 0.00 N ATOM 1033 CA GLY A 66 11.325 -10.868 -0.539 1.00 0.00 C ATOM 1034 C GLY A 66 12.231 -9.646 -0.719 1.00 0.00 C ATOM 1035 O GLY A 66 13.019 -9.613 -1.667 1.00 0.00 O ATOM 0 H GLY A 66 10.061 -9.886 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.833 -11.591 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.181 -11.344 -1.509 1.00 0.00 H new ATOM 1039 N ALA A 67 12.125 -8.627 0.137 1.00 0.00 N ATOM 1040 CA ALA A 67 12.900 -7.392 0.048 1.00 0.00 C ATOM 1041 C ALA A 67 13.274 -6.927 1.452 1.00 0.00 C ATOM 1042 O ALA A 67 12.918 -5.826 1.865 1.00 0.00 O ATOM 1043 CB ALA A 67 12.078 -6.322 -0.674 1.00 0.00 C ATOM 0 H ALA A 67 11.482 -8.640 0.929 1.00 0.00 H new ATOM 0 HA ALA A 67 13.814 -7.568 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.657 -5.401 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.832 -6.668 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.159 -6.134 -0.119 1.00 0.00 H new ATOM 1049 N VAL A 68 13.914 -7.786 2.243 1.00 0.00 N ATOM 1050 CA VAL A 68 14.093 -7.579 3.678 1.00 0.00 C ATOM 1051 C VAL A 68 14.785 -6.251 4.013 1.00 0.00 C ATOM 1052 O VAL A 68 14.591 -5.736 5.120 1.00 0.00 O ATOM 1053 CB VAL A 68 14.758 -8.824 4.290 1.00 0.00 C ATOM 1054 CG1 VAL A 68 16.285 -8.870 4.150 1.00 0.00 C ATOM 1055 CG2 VAL A 68 14.363 -8.997 5.757 1.00 0.00 C ATOM 0 H VAL A 68 14.327 -8.654 1.902 1.00 0.00 H new ATOM 0 HA VAL A 68 13.116 -7.469 4.148 1.00 0.00 H new ATOM 0 HB VAL A 68 14.376 -9.658 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.665 -9.782 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.554 -8.857 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.722 -8.004 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.848 -9.885 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.677 -8.121 6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.281 -9.109 5.832 1.00 0.00 H new ATOM 1065 N ASP A 69 15.474 -5.639 3.045 1.00 0.00 N ATOM 1066 CA ASP A 69 15.995 -4.287 3.107 1.00 0.00 C ATOM 1067 C ASP A 69 15.289 -3.458 2.034 1.00 0.00 C ATOM 1068 O ASP A 69 15.750 -3.381 0.894 1.00 0.00 O ATOM 1069 CB ASP A 69 17.528 -4.244 2.968 1.00 0.00 C ATOM 1070 CG ASP A 69 18.253 -5.412 3.621 1.00 0.00 C ATOM 1071 OD1 ASP A 69 18.204 -5.502 4.874 1.00 0.00 O ATOM 1072 OD2 ASP A 69 18.841 -6.229 2.875 1.00 0.00 O ATOM 0 H ASP A 69 15.689 -6.101 2.161 1.00 0.00 H new ATOM 0 HA ASP A 69 15.790 -3.861 4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.784 -4.220 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.894 -3.315 3.405 1.00 0.00 H new ATOM 1077 N ILE A 70 14.129 -2.886 2.362 1.00 0.00 N ATOM 1078 CA ILE A 70 13.354 -1.996 1.502 1.00 0.00 C ATOM 1079 C ILE A 70 12.651 -0.898 2.310 1.00 0.00 C ATOM 1080 O ILE A 70 11.680 -0.312 1.842 1.00 0.00 O ATOM 1081 CB ILE A 70 12.379 -2.855 0.675 1.00 0.00 C ATOM 1082 CG1 ILE A 70 11.895 -2.208 -0.638 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.187 -3.349 1.511 1.00 0.00 C ATOM 1084 CD1 ILE A 70 13.038 -2.017 -1.638 1.00 0.00 C ATOM 0 H ILE A 70 13.689 -3.037 3.269 1.00 0.00 H new ATOM 0 HA ILE A 70 14.016 -1.463 0.819 1.00 0.00 H new ATOM 0 HB ILE A 70 12.977 -3.715 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.122 -2.832 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.439 -1.242 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.528 -3.950 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.551 -3.955 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.636 -2.493 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.652 -1.558 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.800 -1.371 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.477 -2.985 -1.878 1.00 0.00 H new ATOM 1096 N ASN A 71 13.104 -0.615 3.532 1.00 0.00 N ATOM 1097 CA ASN A 71 12.478 0.385 4.394 1.00 0.00 C ATOM 1098 C ASN A 71 13.481 1.477 4.732 1.00 0.00 C ATOM 1099 O ASN A 71 13.174 2.656 4.588 1.00 0.00 O ATOM 1100 CB ASN A 71 11.879 -0.287 5.639 1.00 0.00 C ATOM 1101 CG ASN A 71 10.651 0.473 6.117 1.00 0.00 C ATOM 1102 OD1 ASN A 71 9.611 0.436 5.470 1.00 0.00 O ATOM 1103 ND2 ASN A 71 10.717 1.135 7.257 1.00 0.00 N ATOM 0 H ASN A 71 13.914 -1.072 3.950 1.00 0.00 H new ATOM 0 HA ASN A 71 11.651 0.863 3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.609 -1.318 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.624 -0.323 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.895 1.625 7.611 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.590 1.157 7.784 1.00 0.00 H new ATOM 1110 N ARG A 72 14.701 1.104 5.134 1.00 0.00 N ATOM 1111 CA ARG A 72 15.761 2.045 5.490 1.00 0.00 C ATOM 1112 C ARG A 72 16.319 2.727 4.253 1.00 0.00 C ATOM 1113 O ARG A 72 16.130 3.919 4.068 1.00 0.00 O ATOM 1114 CB ARG A 72 16.840 1.353 6.300 1.00 0.00 C ATOM 1115 CG ARG A 72 16.265 0.668 7.540 1.00 0.00 C ATOM 1116 CD ARG A 72 15.062 1.296 8.251 1.00 0.00 C ATOM 1117 NE ARG A 72 14.459 0.372 9.218 1.00 0.00 N ATOM 1118 CZ ARG A 72 13.366 0.638 9.938 1.00 0.00 C ATOM 1119 NH1 ARG A 72 12.868 1.865 10.023 1.00 0.00 N ATOM 1120 NH2 ARG A 72 12.746 -0.354 10.548 1.00 0.00 N ATOM 0 H ARG A 72 14.980 0.127 5.221 1.00 0.00 H new ATOM 0 HA ARG A 72 15.336 2.827 6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.345 0.614 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.592 2.082 6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.985 -0.346 7.254 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.070 0.582 8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.376 2.205 8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.315 1.588 7.513 1.00 0.00 H new ATOM 0 HE ARG A 72 14.905 -0.536 9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.322 2.635 9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.032 2.038 10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.103 -1.306 10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.910 -0.169 11.102 1.00 0.00 H new ATOM 1134 N LEU A 73 16.954 1.987 3.348 1.00 0.00 N ATOM 1135 CA LEU A 73 17.405 2.504 2.058 1.00 0.00 C ATOM 1136 C LEU A 73 16.271 2.866 1.098 1.00 0.00 C ATOM 1137 O LEU A 73 16.539 3.233 -0.044 1.00 0.00 O ATOM 1138 CB LEU A 73 18.410 1.550 1.413 1.00 0.00 C ATOM 1139 CG LEU A 73 17.959 0.104 1.191 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.912 -0.729 2.468 1.00 0.00 C ATOM 1141 CD2 LEU A 73 16.647 -0.125 0.432 1.00 0.00 C ATOM 0 H LEU A 73 17.172 1.001 3.491 1.00 0.00 H new ATOM 0 HA LEU A 73 17.905 3.449 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.699 1.966 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.306 1.533 2.034 1.00 0.00 H new ATOM 0 HG LEU A 73 18.760 -0.233 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.584 -1.741 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.905 -0.765 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.213 -0.277 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.456 -1.195 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.827 0.350 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.724 0.307 -0.566 1.00 0.00 H new ATOM 1153 N CYS A 74 15.013 2.696 1.506 1.00 0.00 N ATOM 1154 CA CYS A 74 13.874 3.174 0.758 1.00 0.00 C ATOM 1155 C CYS A 74 13.308 4.421 1.428 1.00 0.00 C ATOM 1156 O CYS A 74 12.445 5.015 0.808 1.00 0.00 O ATOM 1157 CB CYS A 74 12.845 2.045 0.596 1.00 0.00 C ATOM 1158 SG CYS A 74 11.887 2.187 -0.948 1.00 0.00 S ATOM 0 H CYS A 74 14.765 2.218 2.372 1.00 0.00 H new ATOM 0 HA CYS A 74 14.172 3.467 -0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 74 13.359 1.084 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 74 12.162 2.056 1.445 1.00 0.00 H new ATOM 0 HG CYS A 74 12.363 3.160 -1.666 1.00 0.00 H new ATOM 1164 N GLU A 75 13.758 4.865 2.618 1.00 0.00 N ATOM 1165 CA GLU A 75 13.124 5.957 3.373 1.00 0.00 C ATOM 1166 C GLU A 75 12.994 7.228 2.522 1.00 0.00 C ATOM 1167 O GLU A 75 12.030 7.981 2.631 1.00 0.00 O ATOM 1168 CB GLU A 75 13.890 6.194 4.691 1.00 0.00 C ATOM 1169 CG GLU A 75 15.293 6.807 4.528 1.00 0.00 C ATOM 1170 CD GLU A 75 15.489 8.193 5.159 1.00 0.00 C ATOM 1171 OE1 GLU A 75 14.652 9.105 4.982 1.00 0.00 O ATOM 1172 OE2 GLU A 75 16.505 8.389 5.872 1.00 0.00 O ATOM 0 H GLU A 75 14.577 4.472 3.083 1.00 0.00 H new ATOM 0 HA GLU A 75 12.105 5.668 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.295 6.850 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.984 5.243 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 75 16.022 6.123 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 75 15.518 6.877 3.464 1.00 0.00 H new ATOM 1179 N GLU A 76 13.882 7.377 1.545 1.00 0.00 N ATOM 1180 CA GLU A 76 13.866 8.413 0.529 1.00 0.00 C ATOM 1181 C GLU A 76 12.565 8.421 -0.304 1.00 0.00 C ATOM 1182 O GLU A 76 12.355 9.356 -1.084 1.00 0.00 O ATOM 1183 CB GLU A 76 15.070 8.177 -0.402 1.00 0.00 C ATOM 1184 CG GLU A 76 16.440 8.227 0.309 1.00 0.00 C ATOM 1185 CD GLU A 76 17.307 6.979 0.059 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.479 6.565 -1.112 1.00 0.00 O ATOM 1187 OE2 GLU A 76 17.846 6.409 1.038 1.00 0.00 O ATOM 0 H GLU A 76 14.673 6.742 1.439 1.00 0.00 H new ATOM 0 HA GLU A 76 13.921 9.381 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.958 7.205 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.056 8.927 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.983 9.110 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.280 8.340 1.381 1.00 0.00 H new ATOM 1194 N MET A 77 11.712 7.390 -0.218 1.00 0.00 N ATOM 1195 CA MET A 77 10.515 7.186 -1.013 1.00 0.00 C ATOM 1196 C MET A 77 9.277 7.081 -0.123 1.00 0.00 C ATOM 1197 O MET A 77 8.181 6.984 -0.677 1.00 0.00 O ATOM 1198 CB MET A 77 10.716 5.942 -1.899 1.00 0.00 C ATOM 1199 CG MET A 77 11.783 6.143 -2.989 1.00 0.00 C ATOM 1200 SD MET A 77 12.538 4.617 -3.623 1.00 0.00 S ATOM 1201 CE MET A 77 11.074 3.675 -4.125 1.00 0.00 C ATOM 0 H MET A 77 11.858 6.636 0.453 1.00 0.00 H new ATOM 0 HA MET A 77 10.345 8.046 -1.661 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.002 5.098 -1.271 1.00 0.00 H new ATOM 0 HB3 MET A 77 9.768 5.682 -2.370 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.331 6.679 -3.823 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.572 6.781 -2.590 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.385 2.752 -4.615 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.476 3.435 -3.246 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.478 4.270 -4.817 1.00 0.00 H new ATOM 1211 N LEU A 78 9.427 7.091 1.208 1.00 0.00 N ATOM 1212 CA LEU A 78 8.374 7.030 2.201 1.00 0.00 C ATOM 1213 C LEU A 78 8.494 8.239 3.119 1.00 0.00 C ATOM 1214 O LEU A 78 7.650 9.122 3.089 1.00 0.00 O ATOM 1215 CB LEU A 78 8.537 5.747 3.031 1.00 0.00 C ATOM 1216 CG LEU A 78 8.607 4.396 2.325 1.00 0.00 C ATOM 1217 CD1 LEU A 78 7.270 4.031 1.678 1.00 0.00 C ATOM 1218 CD2 LEU A 78 9.790 4.007 1.450 1.00 0.00 C ATOM 0 H LEU A 78 10.351 7.146 1.636 1.00 0.00 H new ATOM 0 HA LEU A 78 7.400 7.029 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.447 5.854 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.705 5.705 3.733 1.00 0.00 H new ATOM 0 HG LEU A 78 8.836 3.767 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.357 3.063 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.497 3.979 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.002 4.790 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.632 3.006 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.884 4.717 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.703 4.019 2.046 1.00 0.00 H new ATOM 1230 N ASP A 79 9.555 8.305 3.910 1.00 0.00 N ATOM 1231 CA ASP A 79 9.806 9.344 4.890 1.00 0.00 C ATOM 1232 C ASP A 79 9.870 10.672 4.166 1.00 0.00 C ATOM 1233 O ASP A 79 9.065 11.555 4.407 1.00 0.00 O ATOM 1234 CB ASP A 79 11.132 9.088 5.601 1.00 0.00 C ATOM 1235 CG ASP A 79 11.104 7.875 6.523 1.00 0.00 C ATOM 1236 OD1 ASP A 79 10.818 6.737 6.086 1.00 0.00 O ATOM 1237 OD2 ASP A 79 11.445 8.082 7.710 1.00 0.00 O ATOM 0 H ASP A 79 10.295 7.604 3.883 1.00 0.00 H new ATOM 0 HA ASP A 79 9.009 9.352 5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.914 8.949 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.399 9.970 6.183 1.00 0.00 H new ATOM 1242 N ASN A 80 10.773 10.791 3.201 1.00 0.00 N ATOM 1243 CA ASN A 80 10.936 11.966 2.346 1.00 0.00 C ATOM 1244 C ASN A 80 9.731 12.222 1.423 1.00 0.00 C ATOM 1245 O ASN A 80 9.692 13.223 0.706 1.00 0.00 O ATOM 1246 CB ASN A 80 12.204 11.695 1.549 1.00 0.00 C ATOM 1247 CG ASN A 80 12.496 12.688 0.435 1.00 0.00 C ATOM 1248 OD1 ASN A 80 12.693 13.875 0.669 1.00 0.00 O ATOM 1249 ND2 ASN A 80 12.587 12.226 -0.800 1.00 0.00 N ATOM 0 H ASN A 80 11.436 10.048 2.982 1.00 0.00 H new ATOM 0 HA ASN A 80 11.004 12.874 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.050 11.686 2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.135 10.697 1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.822 12.858 -1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.422 11.237 -0.988 1.00 0.00 H new ATOM 1256 N ARG A 81 8.743 11.320 1.396 1.00 0.00 N ATOM 1257 CA ARG A 81 7.553 11.483 0.574 1.00 0.00 C ATOM 1258 C ARG A 81 6.694 12.624 1.099 1.00 0.00 C ATOM 1259 O ARG A 81 6.174 13.371 0.269 1.00 0.00 O ATOM 1260 CB ARG A 81 6.770 10.185 0.516 1.00 0.00 C ATOM 1261 CG ARG A 81 5.781 10.179 -0.646 1.00 0.00 C ATOM 1262 CD ARG A 81 5.519 8.716 -0.947 1.00 0.00 C ATOM 1263 NE ARG A 81 4.569 8.523 -2.047 1.00 0.00 N ATOM 1264 CZ ARG A 81 4.630 7.568 -2.979 1.00 0.00 C ATOM 1265 NH1 ARG A 81 5.549 6.606 -2.907 1.00 0.00 N ATOM 1266 NH2 ARG A 81 3.760 7.590 -3.981 1.00 0.00 N ATOM 0 H ARG A 81 8.752 10.460 1.945 1.00 0.00 H new ATOM 0 HA ARG A 81 7.859 11.737 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.460 9.347 0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.232 10.041 1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.859 10.696 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.194 10.691 -1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.461 8.227 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.134 8.229 -0.051 1.00 0.00 H new ATOM 0 HE ARG A 81 3.790 9.178 -2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.215 6.594 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.586 5.882 -3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.058 8.329 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.793 6.868 -4.701 1.00 0.00 H new ATOM 1280 N ALA A 82 6.517 12.759 2.415 1.00 0.00 N ATOM 1281 CA ALA A 82 5.935 13.962 3.029 1.00 0.00 C ATOM 1282 C ALA A 82 6.272 14.133 4.519 1.00 0.00 C ATOM 1283 O ALA A 82 5.650 14.976 5.171 1.00 0.00 O ATOM 1284 CB ALA A 82 4.404 14.023 2.851 1.00 0.00 C ATOM 0 H ALA A 82 6.773 12.038 3.089 1.00 0.00 H new ATOM 0 HA ALA A 82 6.402 14.786 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.019 14.928 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.161 14.034 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.948 13.150 3.318 1.00 0.00 H new ATOM 1290 N THR A 83 7.241 13.403 5.067 1.00 0.00 N ATOM 1291 CA THR A 83 7.545 13.301 6.500 1.00 0.00 C ATOM 1292 C THR A 83 6.330 12.889 7.343 1.00 0.00 C ATOM 1293 O THR A 83 6.051 13.498 8.379 1.00 0.00 O ATOM 1294 CB THR A 83 8.317 14.540 7.009 1.00 0.00 C ATOM 1295 OG1 THR A 83 7.659 15.771 6.747 1.00 0.00 O ATOM 1296 CG2 THR A 83 9.686 14.599 6.333 1.00 0.00 C ATOM 0 H THR A 83 7.870 12.836 4.498 1.00 0.00 H new ATOM 0 HA THR A 83 8.235 12.468 6.635 1.00 0.00 H new ATOM 0 HB THR A 83 8.392 14.422 8.090 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.737 15.596 6.466 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.231 15.472 6.691 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.249 13.697 6.572 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.556 14.670 5.253 1.00 0.00 H new ATOM 1304 N LEU A 84 5.596 11.863 6.891 1.00 0.00 N ATOM 1305 CA LEU A 84 4.453 11.315 7.630 1.00 0.00 C ATOM 1306 C LEU A 84 4.160 9.845 7.321 1.00 0.00 C ATOM 1307 O LEU A 84 3.733 9.121 8.222 1.00 0.00 O ATOM 1308 CB LEU A 84 3.196 12.164 7.330 1.00 0.00 C ATOM 1309 CG LEU A 84 2.314 12.496 8.551 1.00 0.00 C ATOM 1310 CD1 LEU A 84 1.732 11.255 9.231 1.00 0.00 C ATOM 1311 CD2 LEU A 84 3.037 13.338 9.612 1.00 0.00 C ATOM 0 H LEU A 84 5.778 11.391 6.005 1.00 0.00 H new ATOM 0 HA LEU A 84 4.718 11.360 8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.512 13.099 6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.587 11.635 6.597 1.00 0.00 H new ATOM 0 HG LEU A 84 1.499 13.084 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.122 11.559 10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.115 10.706 8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.544 10.615 9.577 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.360 13.536 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.909 12.794 9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.356 14.283 9.172 1.00 0.00 H new ATOM 1323 N GLN A 85 4.352 9.437 6.066 1.00 0.00 N ATOM 1324 CA GLN A 85 3.925 8.182 5.465 1.00 0.00 C ATOM 1325 C GLN A 85 4.267 6.970 6.329 1.00 0.00 C ATOM 1326 O GLN A 85 3.454 6.021 6.307 1.00 0.00 O ATOM 1327 CB GLN A 85 4.523 8.056 4.048 1.00 0.00 C ATOM 1328 CG GLN A 85 3.823 8.849 2.924 1.00 0.00 C ATOM 1329 CD GLN A 85 4.003 10.367 2.964 1.00 0.00 C ATOM 1330 OE1 GLN A 85 4.719 10.935 3.783 1.00 0.00 O ATOM 1331 NE2 GLN A 85 3.364 11.065 2.041 1.00 0.00 N ATOM 0 H GLN A 85 4.849 10.024 5.395 1.00 0.00 H new ATOM 0 HA GLN A 85 2.838 8.198 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.565 8.374 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.522 7.002 3.771 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.191 8.484 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.756 8.628 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.770 10.589 1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.465 12.079 2.008 1.00 0.00 H new