USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 706 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 52 SER OG : rot -65:sc= 1.4 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= 0.574 F(o=-0.69!,f=2) USER MOD Set 2.1: A 50 THR OG1 : rot -75:sc= 1.02 USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= -0.606 F(o=-4.5!,f=-1.7) USER MOD Set 2.3: A 69 CYS SG : rot 180:sc= -2.16! USER MOD Set 3.1: A 26 ASN : amide:sc= -0.396 K(o=1.5,f=-11!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -162:sc= 1.86 (180deg=0.298) USER MOD Set 4.1: A 16 LYS NZ :NH3+ -153:sc= 0.0654! (180deg=-2.97!) USER MOD Set 4.2: A 19 ASN : amide:sc= 0 K(o=0.065,f=-1.6) USER MOD Set 5.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 15 SER OG : rot -130:sc= 0.436 USER MOD Set 6.2: A 81 HIS :FLIP no HE2:sc= 0.385 F(o=-1.5,f=0.82) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0.995 K(o=0.99,f=-4.4!) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.06) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 137:sc= 0.73 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -126:sc= 0.449 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0836 USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 1.15 (180deg=0.991) USER MOD Single : A 38 SER OG : rot 84:sc= 1.11 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 60:sc= -0.392 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 0.553 (180deg=0.221) USER MOD Single : A 59 ASN : amide:sc= -0.735 K(o=-0.74,f=-8.1!) USER MOD Single : A 61 MET CE :methyl -133:sc= -0.17 (180deg=-2.2!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -85:sc= 1.46 USER MOD Single : A 70 THR OG1 : rot -38:sc= 0.301 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -71:sc= 0.435 USER MOD Single : A 80 HIS : no HD1:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 84 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4!) USER MOD Single : A 85 HIS : no HE2:sc= -0.255 K(o=-0.26,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.498 0.582 9.805 1.00 0.00 N ATOM 2 CA MET A 1 -24.301 -0.203 8.567 1.00 0.00 C ATOM 3 C MET A 1 -22.895 -0.788 8.562 1.00 0.00 C ATOM 4 O MET A 1 -21.916 -0.055 8.713 1.00 0.00 O ATOM 5 CB MET A 1 -24.508 0.692 7.339 1.00 0.00 C ATOM 6 CG MET A 1 -25.235 0.008 6.189 1.00 0.00 C ATOM 7 SD MET A 1 -24.399 -1.478 5.600 1.00 0.00 S ATOM 8 CE MET A 1 -25.497 -1.969 4.272 1.00 0.00 C ATOM 0 H1 MET A 1 -25.457 0.983 9.813 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.375 -0.037 10.632 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.800 1.352 9.842 1.00 0.00 H new ATOM 0 HA MET A 1 -25.028 -1.014 8.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.072 1.576 7.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.536 1.038 6.986 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.243 -0.254 6.510 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.336 0.711 5.363 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.118 -2.877 3.803 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.493 -2.156 4.674 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.549 -1.172 3.530 1.00 0.00 H new ATOM 20 N HIS A 2 -22.791 -2.103 8.412 1.00 0.00 N ATOM 21 CA HIS A 2 -21.491 -2.762 8.428 1.00 0.00 C ATOM 22 C HIS A 2 -20.722 -2.489 7.144 1.00 0.00 C ATOM 23 O HIS A 2 -21.091 -2.963 6.071 1.00 0.00 O ATOM 24 CB HIS A 2 -21.634 -4.280 8.632 1.00 0.00 C ATOM 25 CG HIS A 2 -20.322 -5.022 8.575 1.00 0.00 C ATOM 26 ND1 HIS A 2 -19.566 -5.310 9.689 1.00 0.00 N ATOM 27 CD2 HIS A 2 -19.624 -5.511 7.519 1.00 0.00 C ATOM 28 CE1 HIS A 2 -18.462 -5.934 9.321 1.00 0.00 C ATOM 29 NE2 HIS A 2 -18.470 -6.070 8.009 1.00 0.00 N ATOM 0 H HIS A 2 -23.585 -2.730 8.279 1.00 0.00 H new ATOM 0 HA HIS A 2 -20.933 -2.349 9.268 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -22.106 -4.466 9.597 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -22.302 -4.680 7.869 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -19.922 -5.468 6.482 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -17.682 -6.276 9.984 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -17.741 -6.516 7.452 1.00 0.00 H new ATOM 38 N LYS A 3 -19.656 -1.722 7.264 1.00 0.00 N ATOM 39 CA LYS A 3 -18.714 -1.560 6.175 1.00 0.00 C ATOM 40 C LYS A 3 -17.418 -2.272 6.524 1.00 0.00 C ATOM 41 O LYS A 3 -17.139 -2.526 7.698 1.00 0.00 O ATOM 42 CB LYS A 3 -18.450 -0.084 5.880 1.00 0.00 C ATOM 43 CG LYS A 3 -19.654 0.643 5.313 1.00 0.00 C ATOM 44 CD LYS A 3 -19.255 1.969 4.690 1.00 0.00 C ATOM 45 CE LYS A 3 -20.444 2.658 4.046 1.00 0.00 C ATOM 46 NZ LYS A 3 -20.026 3.786 3.175 1.00 0.00 N ATOM 0 H LYS A 3 -19.421 -1.200 8.108 1.00 0.00 H new ATOM 0 HA LYS A 3 -19.143 -2.000 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.135 0.412 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.622 -0.005 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.139 0.018 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.383 0.815 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.827 2.618 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.480 1.803 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.008 1.934 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.114 3.028 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.861 4.187 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.570 4.520 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.354 3.442 2.460 1.00 0.00 H new ATOM 60 N ASP A 4 -16.636 -2.593 5.513 1.00 0.00 N ATOM 61 CA ASP A 4 -15.404 -3.337 5.710 1.00 0.00 C ATOM 62 C ASP A 4 -14.229 -2.542 5.172 1.00 0.00 C ATOM 63 O ASP A 4 -14.310 -1.955 4.098 1.00 0.00 O ATOM 64 CB ASP A 4 -15.484 -4.695 5.011 1.00 0.00 C ATOM 65 CG ASP A 4 -15.345 -5.855 5.975 1.00 0.00 C ATOM 66 OD1 ASP A 4 -14.197 -6.241 6.287 1.00 0.00 O ATOM 67 OD2 ASP A 4 -16.383 -6.392 6.420 1.00 0.00 O ATOM 0 H ASP A 4 -16.831 -2.350 4.542 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.262 -3.504 6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.437 -4.775 4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.700 -4.758 4.257 1.00 0.00 H new ATOM 72 N ILE A 5 -13.142 -2.508 5.915 1.00 0.00 N ATOM 73 CA ILE A 5 -11.985 -1.751 5.490 1.00 0.00 C ATOM 74 C ILE A 5 -11.267 -2.463 4.357 1.00 0.00 C ATOM 75 O ILE A 5 -10.925 -3.643 4.465 1.00 0.00 O ATOM 76 CB ILE A 5 -11.007 -1.483 6.652 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.632 -0.473 7.615 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.661 -0.991 6.132 1.00 0.00 C ATOM 79 CD1 ILE A 5 -10.638 0.215 8.521 1.00 0.00 C ATOM 0 H ILE A 5 -13.036 -2.991 6.807 1.00 0.00 H new ATOM 0 HA ILE A 5 -12.347 -0.786 5.135 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.823 -2.415 7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.163 0.283 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.373 -0.984 8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.991 -0.810 6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.226 -1.746 5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.803 -0.065 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.162 0.915 9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.123 -0.530 9.128 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -9.910 0.757 7.917 1.00 0.00 H new ATOM 91 N PHE A 6 -11.063 -1.741 3.263 1.00 0.00 N ATOM 92 CA PHE A 6 -10.356 -2.287 2.120 1.00 0.00 C ATOM 93 C PHE A 6 -8.919 -2.603 2.511 1.00 0.00 C ATOM 94 O PHE A 6 -8.165 -1.715 2.903 1.00 0.00 O ATOM 95 CB PHE A 6 -10.387 -1.307 0.943 1.00 0.00 C ATOM 96 CG PHE A 6 -9.765 -1.855 -0.311 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.469 -2.732 -1.120 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.477 -1.499 -0.677 1.00 0.00 C ATOM 99 CE1 PHE A 6 -9.900 -3.241 -2.272 1.00 0.00 C ATOM 100 CE2 PHE A 6 -7.904 -2.005 -1.827 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.616 -2.878 -2.625 1.00 0.00 C ATOM 0 H PHE A 6 -11.378 -0.778 3.146 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.852 -3.206 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.421 -1.033 0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.866 -0.393 1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.473 -3.021 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -7.915 -0.818 -0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.460 -3.922 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.900 -1.718 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.169 -3.276 -3.524 1.00 0.00 H new ATOM 111 N THR A 7 -8.567 -3.872 2.445 1.00 0.00 N ATOM 112 CA THR A 7 -7.225 -4.310 2.775 1.00 0.00 C ATOM 113 C THR A 7 -6.735 -5.289 1.713 1.00 0.00 C ATOM 114 O THR A 7 -7.359 -6.326 1.482 1.00 0.00 O ATOM 115 CB THR A 7 -7.198 -4.988 4.160 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.905 -4.175 5.107 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.769 -5.197 4.638 1.00 0.00 C ATOM 0 H THR A 7 -9.197 -4.623 2.164 1.00 0.00 H new ATOM 0 HA THR A 7 -6.570 -3.440 2.804 1.00 0.00 H new ATOM 0 HB THR A 7 -7.679 -5.962 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.888 -4.608 5.986 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.779 -5.677 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.237 -5.831 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.265 -4.233 4.712 1.00 0.00 H new ATOM 125 N SER A 8 -5.639 -4.955 1.054 1.00 0.00 N ATOM 126 CA SER A 8 -5.122 -5.783 -0.027 1.00 0.00 C ATOM 127 C SER A 8 -3.606 -5.657 -0.113 1.00 0.00 C ATOM 128 O SER A 8 -2.978 -5.097 0.781 1.00 0.00 O ATOM 129 CB SER A 8 -5.770 -5.373 -1.354 1.00 0.00 C ATOM 130 OG SER A 8 -7.180 -5.506 -1.296 1.00 0.00 O ATOM 0 H SER A 8 -5.089 -4.118 1.247 1.00 0.00 H new ATOM 0 HA SER A 8 -5.368 -6.825 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.508 -4.341 -1.586 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.376 -5.991 -2.161 1.00 0.00 H new ATOM 0 HG SER A 8 -7.600 -4.722 -1.708 1.00 0.00 H new ATOM 136 N VAL A 9 -3.022 -6.183 -1.177 1.00 0.00 N ATOM 137 CA VAL A 9 -1.587 -6.091 -1.380 1.00 0.00 C ATOM 138 C VAL A 9 -1.288 -5.636 -2.808 1.00 0.00 C ATOM 139 O VAL A 9 -1.805 -6.202 -3.772 1.00 0.00 O ATOM 140 CB VAL A 9 -0.884 -7.439 -1.074 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.436 -8.566 -1.937 1.00 0.00 C ATOM 142 CG2 VAL A 9 0.620 -7.315 -1.253 1.00 0.00 C ATOM 0 H VAL A 9 -3.522 -6.679 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.192 -5.351 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.089 -7.688 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.920 -9.495 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.503 -8.682 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.281 -8.328 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.093 -8.272 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.842 -7.028 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.006 -6.555 -0.573 1.00 0.00 H new ATOM 152 N VAL A 10 -0.479 -4.596 -2.939 1.00 0.00 N ATOM 153 CA VAL A 10 -0.173 -4.033 -4.248 1.00 0.00 C ATOM 154 C VAL A 10 1.305 -4.229 -4.588 1.00 0.00 C ATOM 155 O VAL A 10 2.147 -4.361 -3.694 1.00 0.00 O ATOM 156 CB VAL A 10 -0.545 -2.528 -4.311 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.362 -1.697 -3.414 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.514 -2.013 -5.743 1.00 0.00 C ATOM 0 H VAL A 10 -0.023 -4.125 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.774 -4.563 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.565 -2.426 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.076 -0.647 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.263 -2.036 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.397 -1.812 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.779 -0.956 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.487 -2.141 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.228 -2.573 -6.347 1.00 0.00 H new ATOM 168 N ARG A 11 1.603 -4.282 -5.879 1.00 0.00 N ATOM 169 CA ARG A 11 2.970 -4.432 -6.350 1.00 0.00 C ATOM 170 C ARG A 11 3.732 -3.119 -6.204 1.00 0.00 C ATOM 171 O ARG A 11 3.269 -2.067 -6.642 1.00 0.00 O ATOM 172 CB ARG A 11 2.976 -4.896 -7.809 1.00 0.00 C ATOM 173 CG ARG A 11 2.417 -6.299 -8.001 1.00 0.00 C ATOM 174 CD ARG A 11 2.249 -6.640 -9.474 1.00 0.00 C ATOM 175 NE ARG A 11 1.871 -8.040 -9.671 1.00 0.00 N ATOM 176 CZ ARG A 11 0.772 -8.440 -10.313 1.00 0.00 C ATOM 177 NH1 ARG A 11 -0.080 -7.558 -10.813 1.00 0.00 N ATOM 178 NH2 ARG A 11 0.527 -9.733 -10.457 1.00 0.00 N ATOM 0 H ARG A 11 0.908 -4.223 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 11 3.469 -5.186 -5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.393 -4.196 -8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.998 -4.865 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.084 -7.024 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.454 -6.379 -7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.488 -5.994 -9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.181 -6.438 -10.002 1.00 0.00 H new ATOM 0 HE ARG A 11 2.489 -8.758 -9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.100 -6.559 -10.709 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.916 -7.877 -11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.178 -10.421 -10.078 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.313 -10.041 -10.947 1.00 0.00 H new ATOM 192 N VAL A 12 4.899 -3.192 -5.582 1.00 0.00 N ATOM 193 CA VAL A 12 5.708 -2.010 -5.323 1.00 0.00 C ATOM 194 C VAL A 12 6.600 -1.704 -6.517 1.00 0.00 C ATOM 195 O VAL A 12 7.356 -2.565 -6.971 1.00 0.00 O ATOM 196 CB VAL A 12 6.602 -2.202 -4.076 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.275 -0.899 -3.683 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.801 -2.758 -2.913 1.00 0.00 C ATOM 0 H VAL A 12 5.309 -4.063 -5.245 1.00 0.00 H new ATOM 0 HA VAL A 12 5.022 -1.181 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 12 7.378 -2.923 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.898 -1.062 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.896 -0.547 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.515 -0.151 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.453 -2.883 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.996 -2.067 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.378 -3.723 -3.191 1.00 0.00 H new ATOM 208 N ARG A 13 6.510 -0.490 -7.024 1.00 0.00 N ATOM 209 CA ARG A 13 7.361 -0.063 -8.122 1.00 0.00 C ATOM 210 C ARG A 13 8.371 0.972 -7.644 1.00 0.00 C ATOM 211 O ARG A 13 8.000 2.002 -7.078 1.00 0.00 O ATOM 212 CB ARG A 13 6.523 0.503 -9.273 1.00 0.00 C ATOM 213 CG ARG A 13 7.349 1.223 -10.328 1.00 0.00 C ATOM 214 CD ARG A 13 6.501 1.691 -11.499 1.00 0.00 C ATOM 215 NE ARG A 13 7.142 2.792 -12.213 1.00 0.00 N ATOM 216 CZ ARG A 13 7.310 2.849 -13.534 1.00 0.00 C ATOM 217 NH1 ARG A 13 6.893 1.858 -14.316 1.00 0.00 N ATOM 218 NH2 ARG A 13 7.901 3.911 -14.072 1.00 0.00 N ATOM 0 H ARG A 13 5.856 0.220 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 13 7.903 -0.935 -8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.973 -0.311 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.784 1.194 -8.868 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.846 2.081 -9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.132 0.557 -10.691 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.333 0.860 -12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.523 2.009 -11.138 1.00 0.00 H new ATOM 0 HE ARG A 13 7.487 3.576 -11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.438 1.042 -13.906 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.028 1.914 -15.326 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.222 4.673 -13.475 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.034 3.964 -15.082 1.00 0.00 H new ATOM 232 N GLY A 14 9.647 0.674 -7.845 1.00 0.00 N ATOM 233 CA GLY A 14 10.696 1.612 -7.505 1.00 0.00 C ATOM 234 C GLY A 14 11.925 0.909 -6.979 1.00 0.00 C ATOM 235 O GLY A 14 11.988 -0.322 -6.983 1.00 0.00 O ATOM 0 H GLY A 14 9.975 -0.207 -8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.960 2.197 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.329 2.313 -6.755 1.00 0.00 H new ATOM 239 N SER A 15 12.904 1.678 -6.535 1.00 0.00 N ATOM 240 CA SER A 15 14.097 1.111 -5.931 1.00 0.00 C ATOM 241 C SER A 15 13.758 0.555 -4.549 1.00 0.00 C ATOM 242 O SER A 15 13.716 1.293 -3.563 1.00 0.00 O ATOM 243 CB SER A 15 15.191 2.175 -5.830 1.00 0.00 C ATOM 244 OG SER A 15 15.452 2.762 -7.097 1.00 0.00 O ATOM 0 H SER A 15 12.896 2.697 -6.581 1.00 0.00 H new ATOM 0 HA SER A 15 14.466 0.298 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.887 2.947 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.104 1.726 -5.439 1.00 0.00 H new ATOM 0 HG SER A 15 16.416 2.749 -7.271 1.00 0.00 H new ATOM 250 N LYS A 16 13.481 -0.740 -4.493 1.00 0.00 N ATOM 251 CA LYS A 16 13.044 -1.375 -3.260 1.00 0.00 C ATOM 252 C LYS A 16 13.698 -2.738 -3.075 1.00 0.00 C ATOM 253 O LYS A 16 14.443 -3.203 -3.939 1.00 0.00 O ATOM 254 CB LYS A 16 11.506 -1.514 -3.249 1.00 0.00 C ATOM 255 CG LYS A 16 10.893 -2.127 -4.516 1.00 0.00 C ATOM 256 CD LYS A 16 11.326 -3.574 -4.728 1.00 0.00 C ATOM 257 CE LYS A 16 10.650 -4.233 -5.920 1.00 0.00 C ATOM 258 NZ LYS A 16 9.167 -4.227 -5.806 1.00 0.00 N ATOM 0 H LYS A 16 13.552 -1.372 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 16 13.352 -0.741 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.219 -2.126 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.070 -0.527 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.806 -2.082 -4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.184 -1.533 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.407 -3.606 -4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.103 -4.149 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.944 -3.715 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.001 -5.261 -6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.775 -5.029 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.895 -4.310 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.793 -3.338 -6.194 1.00 0.00 H new ATOM 272 N LYS A 17 13.408 -3.368 -1.945 1.00 0.00 N ATOM 273 CA LYS A 17 13.823 -4.740 -1.702 1.00 0.00 C ATOM 274 C LYS A 17 12.605 -5.670 -1.699 1.00 0.00 C ATOM 275 O LYS A 17 12.696 -6.835 -2.083 1.00 0.00 O ATOM 276 CB LYS A 17 14.571 -4.841 -0.369 1.00 0.00 C ATOM 277 CG LYS A 17 15.070 -6.241 -0.048 1.00 0.00 C ATOM 278 CD LYS A 17 16.139 -6.691 -1.029 1.00 0.00 C ATOM 279 CE LYS A 17 16.482 -8.158 -0.836 1.00 0.00 C ATOM 280 NZ LYS A 17 17.609 -8.583 -1.706 1.00 0.00 N ATOM 0 H LYS A 17 12.884 -2.946 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 17 14.495 -5.048 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.421 -4.158 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.912 -4.508 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.473 -6.261 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.234 -6.941 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.792 -6.528 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.035 -6.085 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.742 -8.336 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.605 -8.768 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.812 -9.590 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.352 -8.438 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.453 -8.019 -1.481 1.00 0.00 H new ATOM 294 N TYR A 18 11.460 -5.139 -1.283 1.00 0.00 N ATOM 295 CA TYR A 18 10.236 -5.931 -1.185 1.00 0.00 C ATOM 296 C TYR A 18 9.372 -5.764 -2.429 1.00 0.00 C ATOM 297 O TYR A 18 9.208 -4.655 -2.939 1.00 0.00 O ATOM 298 CB TYR A 18 9.448 -5.531 0.060 1.00 0.00 C ATOM 299 CG TYR A 18 9.298 -6.644 1.070 1.00 0.00 C ATOM 300 CD1 TYR A 18 10.391 -7.107 1.790 1.00 0.00 C ATOM 301 CD2 TYR A 18 8.062 -7.234 1.303 1.00 0.00 C ATOM 302 CE1 TYR A 18 10.259 -8.122 2.715 1.00 0.00 C ATOM 303 CE2 TYR A 18 7.919 -8.249 2.229 1.00 0.00 C ATOM 304 CZ TYR A 18 9.021 -8.690 2.931 1.00 0.00 C ATOM 305 OH TYR A 18 8.883 -9.699 3.858 1.00 0.00 O ATOM 0 H TYR A 18 11.353 -4.163 -1.008 1.00 0.00 H new ATOM 0 HA TYR A 18 10.518 -6.981 -1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.944 -4.685 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.457 -5.191 -0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 18 11.362 -6.665 1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.199 -6.893 0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 18 11.120 -8.470 3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.950 -8.694 2.402 1.00 0.00 H new ATOM 0 HH TYR A 18 7.947 -9.989 3.889 1.00 0.00 H new ATOM 315 N ASN A 19 8.806 -6.865 -2.902 1.00 0.00 N ATOM 316 CA ASN A 19 8.073 -6.869 -4.161 1.00 0.00 C ATOM 317 C ASN A 19 6.683 -6.273 -4.006 1.00 0.00 C ATOM 318 O ASN A 19 6.260 -5.449 -4.816 1.00 0.00 O ATOM 319 CB ASN A 19 7.964 -8.291 -4.713 1.00 0.00 C ATOM 320 CG ASN A 19 7.305 -8.330 -6.078 1.00 0.00 C ATOM 321 OD1 ASN A 19 7.442 -7.404 -6.878 1.00 0.00 O ATOM 322 ND2 ASN A 19 6.579 -9.400 -6.352 1.00 0.00 N ATOM 0 H ASN A 19 8.840 -7.770 -2.432 1.00 0.00 H new ATOM 0 HA ASN A 19 8.632 -6.249 -4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.960 -8.729 -4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.391 -8.905 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.108 -9.480 -7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.490 -10.146 -5.662 1.00 0.00 H new ATOM 329 N VAL A 20 5.991 -6.676 -2.959 1.00 0.00 N ATOM 330 CA VAL A 20 4.605 -6.266 -2.754 1.00 0.00 C ATOM 331 C VAL A 20 4.397 -5.684 -1.358 1.00 0.00 C ATOM 332 O VAL A 20 5.063 -6.085 -0.402 1.00 0.00 O ATOM 333 CB VAL A 20 3.632 -7.448 -2.963 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.605 -7.872 -4.424 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.010 -8.626 -2.073 1.00 0.00 C ATOM 0 H VAL A 20 6.362 -7.288 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 20 4.392 -5.495 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 20 2.633 -7.115 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.914 -8.705 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.278 -7.034 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.604 -8.180 -4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.311 -9.446 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.020 -8.956 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.970 -8.320 -1.028 1.00 0.00 H new ATOM 345 N VAL A 21 3.484 -4.726 -1.254 1.00 0.00 N ATOM 346 CA VAL A 21 3.166 -4.113 0.027 1.00 0.00 C ATOM 347 C VAL A 21 1.655 -4.131 0.297 1.00 0.00 C ATOM 348 O VAL A 21 0.856 -3.649 -0.508 1.00 0.00 O ATOM 349 CB VAL A 21 3.706 -2.661 0.117 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.102 -1.767 -0.958 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.456 -2.076 1.496 1.00 0.00 C ATOM 0 H VAL A 21 2.951 -4.358 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 21 3.661 -4.709 0.793 1.00 0.00 H new ATOM 0 HB VAL A 21 4.782 -2.704 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.505 -0.759 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.349 -2.164 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.019 -1.737 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.843 -1.058 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.385 -2.065 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.960 -2.685 2.246 1.00 0.00 H new ATOM 361 N PRO A 22 1.245 -4.763 1.410 1.00 0.00 N ATOM 362 CA PRO A 22 -0.136 -4.698 1.899 1.00 0.00 C ATOM 363 C PRO A 22 -0.582 -3.271 2.213 1.00 0.00 C ATOM 364 O PRO A 22 0.062 -2.557 2.991 1.00 0.00 O ATOM 365 CB PRO A 22 -0.111 -5.535 3.182 1.00 0.00 C ATOM 366 CG PRO A 22 1.080 -6.417 3.046 1.00 0.00 C ATOM 367 CD PRO A 22 2.081 -5.642 2.239 1.00 0.00 C ATOM 0 HA PRO A 22 -0.840 -5.061 1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.033 -4.901 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.025 -6.120 3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.485 -6.678 4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.818 -7.351 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.755 -5.070 2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.700 -6.299 1.629 1.00 0.00 H new ATOM 375 N VAL A 23 -1.690 -2.872 1.608 1.00 0.00 N ATOM 376 CA VAL A 23 -2.257 -1.545 1.807 1.00 0.00 C ATOM 377 C VAL A 23 -3.645 -1.663 2.426 1.00 0.00 C ATOM 378 O VAL A 23 -4.306 -2.698 2.291 1.00 0.00 O ATOM 379 CB VAL A 23 -2.351 -0.763 0.478 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.969 -0.535 -0.109 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.236 -1.495 -0.522 1.00 0.00 C ATOM 0 H VAL A 23 -2.222 -3.458 0.965 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.596 -0.997 2.478 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.802 0.206 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.058 0.017 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.365 0.038 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.491 -1.496 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.286 -0.924 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.818 -2.481 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.239 -1.604 -0.109 1.00 0.00 H new ATOM 391 N LYS A 24 -4.079 -0.620 3.114 1.00 0.00 N ATOM 392 CA LYS A 24 -5.384 -0.633 3.755 1.00 0.00 C ATOM 393 C LYS A 24 -6.042 0.741 3.688 1.00 0.00 C ATOM 394 O LYS A 24 -5.450 1.706 3.201 1.00 0.00 O ATOM 395 CB LYS A 24 -5.257 -1.081 5.216 1.00 0.00 C ATOM 396 CG LYS A 24 -4.465 -0.117 6.090 1.00 0.00 C ATOM 397 CD LYS A 24 -4.368 -0.601 7.531 1.00 0.00 C ATOM 398 CE LYS A 24 -5.744 -0.833 8.141 1.00 0.00 C ATOM 399 NZ LYS A 24 -5.659 -1.255 9.563 1.00 0.00 N ATOM 0 H LYS A 24 -3.550 0.243 3.243 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.014 -1.342 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.255 -1.201 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.778 -2.060 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.462 0.004 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.939 0.865 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.794 -1.527 7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.825 0.134 8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.331 0.082 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.271 -1.596 7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.617 -1.402 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.121 -2.142 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.179 -0.516 10.116 1.00 0.00 H new ATOM 413 N SER A 25 -7.262 0.819 4.198 1.00 0.00 N ATOM 414 CA SER A 25 -7.995 2.072 4.260 1.00 0.00 C ATOM 415 C SER A 25 -8.091 2.541 5.707 1.00 0.00 C ATOM 416 O SER A 25 -8.138 1.727 6.632 1.00 0.00 O ATOM 417 CB SER A 25 -9.395 1.880 3.668 1.00 0.00 C ATOM 418 OG SER A 25 -10.171 3.060 3.775 1.00 0.00 O ATOM 0 H SER A 25 -7.769 0.019 4.578 1.00 0.00 H new ATOM 0 HA SER A 25 -7.469 2.830 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.311 1.592 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.900 1.063 4.184 1.00 0.00 H new ATOM 0 HG SER A 25 -11.018 2.855 4.224 1.00 0.00 H new ATOM 424 N ASN A 26 -8.088 3.853 5.909 1.00 0.00 N ATOM 425 CA ASN A 26 -8.163 4.403 7.256 1.00 0.00 C ATOM 426 C ASN A 26 -9.612 4.486 7.725 1.00 0.00 C ATOM 427 O ASN A 26 -9.883 4.782 8.889 1.00 0.00 O ATOM 428 CB ASN A 26 -7.486 5.780 7.335 1.00 0.00 C ATOM 429 CG ASN A 26 -8.303 6.918 6.738 1.00 0.00 C ATOM 430 OD1 ASN A 26 -9.100 6.735 5.816 1.00 0.00 O ATOM 431 ND2 ASN A 26 -8.107 8.112 7.275 1.00 0.00 N ATOM 0 H ASN A 26 -8.035 4.549 5.166 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.624 3.729 7.922 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.276 6.009 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.526 5.729 6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.624 8.919 6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.439 8.225 8.037 1.00 0.00 H new ATOM 438 N LYS A 27 -10.539 4.226 6.812 1.00 0.00 N ATOM 439 CA LYS A 27 -11.958 4.186 7.145 1.00 0.00 C ATOM 440 C LYS A 27 -12.643 3.032 6.425 1.00 0.00 C ATOM 441 O LYS A 27 -12.283 2.697 5.296 1.00 0.00 O ATOM 442 CB LYS A 27 -12.642 5.513 6.795 1.00 0.00 C ATOM 443 CG LYS A 27 -12.264 6.655 7.725 1.00 0.00 C ATOM 444 CD LYS A 27 -13.009 7.932 7.378 1.00 0.00 C ATOM 445 CE LYS A 27 -12.598 8.476 6.020 1.00 0.00 C ATOM 446 NZ LYS A 27 -11.156 8.842 5.981 1.00 0.00 N ATOM 0 H LYS A 27 -10.333 4.039 5.831 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.047 4.030 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.383 5.787 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.723 5.374 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.484 6.374 8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.190 6.833 7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.082 7.739 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.817 8.684 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.804 7.730 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.201 9.352 5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.980 9.475 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.897 9.326 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.582 7.981 5.876 1.00 0.00 H new ATOM 460 N PRO A 28 -13.626 2.397 7.078 1.00 0.00 N ATOM 461 CA PRO A 28 -14.357 1.265 6.502 1.00 0.00 C ATOM 462 C PRO A 28 -15.142 1.661 5.260 1.00 0.00 C ATOM 463 O PRO A 28 -15.887 2.642 5.270 1.00 0.00 O ATOM 464 CB PRO A 28 -15.313 0.831 7.618 1.00 0.00 C ATOM 465 CG PRO A 28 -14.786 1.463 8.861 1.00 0.00 C ATOM 466 CD PRO A 28 -14.102 2.726 8.430 1.00 0.00 C ATOM 0 HA PRO A 28 -13.680 0.474 6.180 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.332 1.160 7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.341 -0.255 7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.593 1.677 9.561 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.089 0.798 9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.787 3.574 8.422 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.279 2.987 9.096 1.00 0.00 H new ATOM 474 N VAL A 29 -14.971 0.895 4.198 1.00 0.00 N ATOM 475 CA VAL A 29 -15.643 1.177 2.935 1.00 0.00 C ATOM 476 C VAL A 29 -16.591 0.045 2.555 1.00 0.00 C ATOM 477 O VAL A 29 -16.686 -0.964 3.255 1.00 0.00 O ATOM 478 CB VAL A 29 -14.628 1.397 1.790 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.863 2.694 1.992 1.00 0.00 C ATOM 480 CG2 VAL A 29 -13.667 0.222 1.684 1.00 0.00 C ATOM 0 H VAL A 29 -14.372 0.070 4.181 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.215 2.093 3.078 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.184 1.468 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.154 2.829 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -14.562 3.530 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.323 2.654 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.963 0.400 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.120 0.113 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.229 -0.690 1.484 1.00 0.00 H new ATOM 490 N GLU A 30 -17.320 0.227 1.467 1.00 0.00 N ATOM 491 CA GLU A 30 -18.164 -0.830 0.942 1.00 0.00 C ATOM 492 C GLU A 30 -17.295 -1.970 0.425 1.00 0.00 C ATOM 493 O GLU A 30 -16.427 -1.763 -0.421 1.00 0.00 O ATOM 494 CB GLU A 30 -19.074 -0.316 -0.180 1.00 0.00 C ATOM 495 CG GLU A 30 -20.043 0.778 0.251 1.00 0.00 C ATOM 496 CD GLU A 30 -19.419 2.160 0.254 1.00 0.00 C ATOM 497 OE1 GLU A 30 -18.764 2.523 1.250 1.00 0.00 O ATOM 498 OE2 GLU A 30 -19.591 2.888 -0.743 1.00 0.00 O ATOM 0 H GLU A 30 -17.344 1.095 0.932 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.801 -1.190 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.452 0.064 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.645 -1.153 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.904 0.776 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.415 0.552 1.250 1.00 0.00 H new ATOM 505 N ILE A 31 -17.531 -3.170 0.941 1.00 0.00 N ATOM 506 CA ILE A 31 -16.738 -4.337 0.568 1.00 0.00 C ATOM 507 C ILE A 31 -16.902 -4.659 -0.921 1.00 0.00 C ATOM 508 O ILE A 31 -16.023 -5.249 -1.543 1.00 0.00 O ATOM 509 CB ILE A 31 -17.123 -5.566 1.427 1.00 0.00 C ATOM 510 CG1 ILE A 31 -16.213 -6.759 1.106 1.00 0.00 C ATOM 511 CG2 ILE A 31 -18.590 -5.932 1.221 1.00 0.00 C ATOM 512 CD1 ILE A 31 -16.466 -7.971 1.979 1.00 0.00 C ATOM 0 H ILE A 31 -18.267 -3.362 1.621 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.691 -4.099 0.756 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.983 -5.305 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.351 -7.039 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -15.173 -6.452 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -18.838 -6.798 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -19.219 -5.090 1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.762 -6.169 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -15.786 -8.773 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -16.299 -7.708 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.495 -8.305 1.849 1.00 0.00 H new ATOM 524 N SER A 32 -18.020 -4.227 -1.492 1.00 0.00 N ATOM 525 CA SER A 32 -18.319 -4.479 -2.893 1.00 0.00 C ATOM 526 C SER A 32 -17.651 -3.446 -3.807 1.00 0.00 C ATOM 527 O SER A 32 -17.812 -3.484 -5.027 1.00 0.00 O ATOM 528 CB SER A 32 -19.834 -4.489 -3.088 1.00 0.00 C ATOM 529 OG SER A 32 -20.463 -3.576 -2.201 1.00 0.00 O ATOM 0 H SER A 32 -18.739 -3.696 -1.000 1.00 0.00 H new ATOM 0 HA SER A 32 -17.913 -5.452 -3.170 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.074 -4.226 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 32 -20.220 -5.494 -2.917 1.00 0.00 H new ATOM 0 HG SER A 32 -21.432 -3.597 -2.343 1.00 0.00 H new ATOM 535 N LYS A 33 -16.894 -2.528 -3.215 1.00 0.00 N ATOM 536 CA LYS A 33 -16.142 -1.547 -3.990 1.00 0.00 C ATOM 537 C LYS A 33 -14.711 -2.018 -4.216 1.00 0.00 C ATOM 538 O LYS A 33 -13.882 -1.278 -4.747 1.00 0.00 O ATOM 539 CB LYS A 33 -16.134 -0.179 -3.301 1.00 0.00 C ATOM 540 CG LYS A 33 -17.316 0.700 -3.667 1.00 0.00 C ATOM 541 CD LYS A 33 -17.162 2.103 -3.099 1.00 0.00 C ATOM 542 CE LYS A 33 -18.202 3.055 -3.667 1.00 0.00 C ATOM 543 NZ LYS A 33 -19.587 2.637 -3.327 1.00 0.00 N ATOM 0 H LYS A 33 -16.785 -2.443 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.639 -1.444 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.124 -0.327 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.212 0.342 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.409 0.753 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.235 0.252 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.254 2.069 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.164 2.479 -3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.022 4.059 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.094 3.104 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.249 3.402 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.834 1.782 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.648 2.434 -2.309 1.00 0.00 H new ATOM 557 N TRP A 34 -14.430 -3.258 -3.826 1.00 0.00 N ATOM 558 CA TRP A 34 -13.095 -3.826 -3.983 1.00 0.00 C ATOM 559 C TRP A 34 -12.680 -3.826 -5.453 1.00 0.00 C ATOM 560 O TRP A 34 -11.501 -3.695 -5.776 1.00 0.00 O ATOM 561 CB TRP A 34 -13.036 -5.247 -3.406 1.00 0.00 C ATOM 562 CG TRP A 34 -13.775 -6.272 -4.217 1.00 0.00 C ATOM 563 CD1 TRP A 34 -15.123 -6.492 -4.240 1.00 0.00 C ATOM 564 CD2 TRP A 34 -13.198 -7.227 -5.116 1.00 0.00 C ATOM 565 NE1 TRP A 34 -15.418 -7.519 -5.104 1.00 0.00 N ATOM 566 CE2 TRP A 34 -14.252 -7.988 -5.652 1.00 0.00 C ATOM 567 CE3 TRP A 34 -11.888 -7.507 -5.523 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -14.039 -9.011 -6.572 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.679 -8.524 -6.434 1.00 0.00 C ATOM 570 CH2 TRP A 34 -12.749 -9.264 -6.950 1.00 0.00 C ATOM 0 H TRP A 34 -15.109 -3.888 -3.399 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.394 -3.204 -3.428 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -11.992 -5.550 -3.322 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -13.446 -5.234 -2.396 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.850 -5.940 -3.664 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -16.353 -7.875 -5.305 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -11.057 -6.939 -5.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -14.862 -9.584 -6.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -10.673 -8.752 -6.754 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -12.552 -10.052 -7.662 1.00 0.00 H new ATOM 581 N ILE A 35 -13.666 -3.951 -6.338 1.00 0.00 N ATOM 582 CA ILE A 35 -13.421 -3.935 -7.774 1.00 0.00 C ATOM 583 C ILE A 35 -12.927 -2.573 -8.242 1.00 0.00 C ATOM 584 O ILE A 35 -12.043 -2.489 -9.091 1.00 0.00 O ATOM 585 CB ILE A 35 -14.685 -4.312 -8.578 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.918 -3.585 -8.023 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.889 -5.818 -8.570 1.00 0.00 C ATOM 588 CD1 ILE A 35 -17.183 -3.825 -8.821 1.00 0.00 C ATOM 0 H ILE A 35 -14.647 -4.065 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.648 -4.681 -7.958 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.546 -3.994 -9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.083 -3.904 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.715 -2.514 -7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.784 -6.067 -9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.024 -6.305 -9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.006 -6.164 -7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -18.009 -3.278 -8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.039 -3.479 -9.845 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -17.413 -4.890 -8.827 1.00 0.00 H new ATOM 600 N ASP A 36 -13.486 -1.512 -7.669 1.00 0.00 N ATOM 601 CA ASP A 36 -13.149 -0.151 -8.072 1.00 0.00 C ATOM 602 C ASP A 36 -11.799 0.258 -7.498 1.00 0.00 C ATOM 603 O ASP A 36 -10.999 0.906 -8.173 1.00 0.00 O ATOM 604 CB ASP A 36 -14.230 0.837 -7.613 1.00 0.00 C ATOM 605 CG ASP A 36 -15.599 0.506 -8.170 1.00 0.00 C ATOM 606 OD1 ASP A 36 -15.927 0.970 -9.285 1.00 0.00 O ATOM 607 OD2 ASP A 36 -16.356 -0.220 -7.498 1.00 0.00 O ATOM 0 H ASP A 36 -14.177 -1.569 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.093 -0.127 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.276 0.839 -6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.950 1.844 -7.922 1.00 0.00 H new ATOM 612 N PHE A 37 -11.546 -0.126 -6.253 1.00 0.00 N ATOM 613 CA PHE A 37 -10.267 0.169 -5.618 1.00 0.00 C ATOM 614 C PHE A 37 -9.135 -0.581 -6.310 1.00 0.00 C ATOM 615 O PHE A 37 -8.139 0.022 -6.712 1.00 0.00 O ATOM 616 CB PHE A 37 -10.303 -0.176 -4.127 1.00 0.00 C ATOM 617 CG PHE A 37 -11.013 0.845 -3.285 1.00 0.00 C ATOM 618 CD1 PHE A 37 -10.341 1.965 -2.819 1.00 0.00 C ATOM 619 CD2 PHE A 37 -12.350 0.688 -2.954 1.00 0.00 C ATOM 620 CE1 PHE A 37 -10.987 2.906 -2.041 1.00 0.00 C ATOM 621 CE2 PHE A 37 -13.000 1.626 -2.175 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.318 2.736 -1.718 1.00 0.00 C ATOM 0 H PHE A 37 -12.204 -0.639 -5.666 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.083 1.239 -5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.792 -1.142 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.281 -0.285 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.299 2.103 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.890 -0.177 -3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.451 3.774 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -14.042 1.491 -1.924 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.825 3.470 -1.109 1.00 0.00 H new ATOM 632 N SER A 38 -9.301 -1.889 -6.475 1.00 0.00 N ATOM 633 CA SER A 38 -8.300 -2.704 -7.156 1.00 0.00 C ATOM 634 C SER A 38 -8.157 -2.271 -8.614 1.00 0.00 C ATOM 635 O SER A 38 -7.108 -2.453 -9.228 1.00 0.00 O ATOM 636 CB SER A 38 -8.685 -4.181 -7.081 1.00 0.00 C ATOM 637 OG SER A 38 -8.911 -4.575 -5.739 1.00 0.00 O ATOM 0 H SER A 38 -10.117 -2.407 -6.148 1.00 0.00 H new ATOM 0 HA SER A 38 -7.341 -2.562 -6.658 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.583 -4.358 -7.673 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.892 -4.790 -7.515 1.00 0.00 H new ATOM 0 HG SER A 38 -9.831 -4.355 -5.484 1.00 0.00 H new ATOM 643 N ASN A 39 -9.224 -1.689 -9.151 1.00 0.00 N ATOM 644 CA ASN A 39 -9.223 -1.161 -10.508 1.00 0.00 C ATOM 645 C ASN A 39 -8.151 -0.090 -10.643 1.00 0.00 C ATOM 646 O ASN A 39 -7.315 -0.134 -11.548 1.00 0.00 O ATOM 647 CB ASN A 39 -10.590 -0.559 -10.824 1.00 0.00 C ATOM 648 CG ASN A 39 -10.847 -0.399 -12.304 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.466 0.598 -12.916 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.533 -1.372 -12.880 1.00 0.00 N ATOM 0 H ASN A 39 -10.110 -1.571 -8.659 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.013 -1.970 -11.208 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.366 -1.193 -10.394 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.670 0.415 -10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.767 -1.314 -13.871 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.828 -2.181 -12.333 1.00 0.00 H new ATOM 657 N VAL A 40 -8.174 0.860 -9.714 1.00 0.00 N ATOM 658 CA VAL A 40 -7.201 1.942 -9.695 1.00 0.00 C ATOM 659 C VAL A 40 -5.822 1.418 -9.305 1.00 0.00 C ATOM 660 O VAL A 40 -4.815 1.810 -9.892 1.00 0.00 O ATOM 661 CB VAL A 40 -7.626 3.061 -8.717 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.630 4.209 -8.724 1.00 0.00 C ATOM 663 CG2 VAL A 40 -9.016 3.565 -9.061 1.00 0.00 C ATOM 0 H VAL A 40 -8.861 0.901 -8.961 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.155 2.359 -10.701 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.643 2.638 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.958 4.979 -8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.649 3.841 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.568 4.631 -9.727 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.301 4.352 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.018 3.962 -10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.729 2.743 -8.991 1.00 0.00 H new ATOM 673 N LEU A 41 -5.787 0.512 -8.330 1.00 0.00 N ATOM 674 CA LEU A 41 -4.528 -0.062 -7.857 1.00 0.00 C ATOM 675 C LEU A 41 -3.804 -0.812 -8.974 1.00 0.00 C ATOM 676 O LEU A 41 -2.577 -0.845 -9.017 1.00 0.00 O ATOM 677 CB LEU A 41 -4.767 -1.006 -6.676 1.00 0.00 C ATOM 678 CG LEU A 41 -5.294 -0.345 -5.401 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.514 -1.388 -4.318 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.332 0.730 -4.917 1.00 0.00 C ATOM 0 H LEU A 41 -6.616 0.159 -7.852 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.899 0.766 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.475 -1.775 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.830 -1.511 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.249 0.128 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.889 -0.903 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.240 -2.124 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.570 -1.887 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.725 1.188 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.361 0.281 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.220 1.492 -5.688 1.00 0.00 H new ATOM 692 N SER A 42 -4.572 -1.401 -9.885 1.00 0.00 N ATOM 693 CA SER A 42 -4.006 -2.124 -11.017 1.00 0.00 C ATOM 694 C SER A 42 -3.244 -1.175 -11.942 1.00 0.00 C ATOM 695 O SER A 42 -2.382 -1.601 -12.713 1.00 0.00 O ATOM 696 CB SER A 42 -5.116 -2.844 -11.793 1.00 0.00 C ATOM 697 OG SER A 42 -4.595 -3.618 -12.865 1.00 0.00 O ATOM 0 H SER A 42 -5.592 -1.391 -9.860 1.00 0.00 H new ATOM 0 HA SER A 42 -3.304 -2.865 -10.634 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.673 -3.491 -11.115 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.821 -2.110 -12.184 1.00 0.00 H new ATOM 0 HG SER A 42 -5.331 -4.063 -13.335 1.00 0.00 H new ATOM 703 N ARG A 43 -3.560 0.111 -11.856 1.00 0.00 N ATOM 704 CA ARG A 43 -2.910 1.112 -12.683 1.00 0.00 C ATOM 705 C ARG A 43 -1.997 1.983 -11.823 1.00 0.00 C ATOM 706 O ARG A 43 -1.358 2.918 -12.310 1.00 0.00 O ATOM 707 CB ARG A 43 -3.964 1.979 -13.385 1.00 0.00 C ATOM 708 CG ARG A 43 -3.411 2.798 -14.541 1.00 0.00 C ATOM 709 CD ARG A 43 -2.866 1.893 -15.631 1.00 0.00 C ATOM 710 NE ARG A 43 -2.197 2.632 -16.699 1.00 0.00 N ATOM 711 CZ ARG A 43 -1.767 2.066 -17.827 1.00 0.00 C ATOM 712 NH1 ARG A 43 -1.985 0.773 -18.046 1.00 0.00 N ATOM 713 NH2 ARG A 43 -1.122 2.791 -18.735 1.00 0.00 N ATOM 0 H ARG A 43 -4.265 0.483 -11.219 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.308 0.611 -13.441 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.762 1.336 -13.756 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.412 2.653 -12.655 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.196 3.435 -14.949 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.621 3.457 -14.181 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.164 1.184 -15.191 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.684 1.310 -16.056 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.051 3.634 -16.575 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.481 0.215 -17.351 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.656 0.339 -18.909 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.955 3.784 -18.570 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.794 2.355 -19.597 1.00 0.00 H new ATOM 727 N LEU A 44 -1.928 1.661 -10.539 1.00 0.00 N ATOM 728 CA LEU A 44 -1.164 2.454 -9.594 1.00 0.00 C ATOM 729 C LEU A 44 0.094 1.711 -9.165 1.00 0.00 C ATOM 730 O LEU A 44 0.076 0.916 -8.228 1.00 0.00 O ATOM 731 CB LEU A 44 -2.023 2.794 -8.373 1.00 0.00 C ATOM 732 CG LEU A 44 -1.369 3.727 -7.354 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.127 5.102 -7.958 1.00 0.00 C ATOM 734 CD2 LEU A 44 -2.230 3.831 -6.104 1.00 0.00 C ATOM 0 H LEU A 44 -2.395 0.852 -10.129 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.866 3.382 -10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.950 3.252 -8.718 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.294 1.866 -7.870 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.403 3.308 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.661 5.749 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.469 5.009 -8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.077 5.534 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.752 4.499 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.211 4.226 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.345 2.843 -5.658 1.00 0.00 H new ATOM 746 N TYR A 45 1.180 1.957 -9.878 1.00 0.00 N ATOM 747 CA TYR A 45 2.455 1.350 -9.542 1.00 0.00 C ATOM 748 C TYR A 45 3.319 2.332 -8.769 1.00 0.00 C ATOM 749 O TYR A 45 3.995 3.183 -9.352 1.00 0.00 O ATOM 750 CB TYR A 45 3.179 0.872 -10.800 1.00 0.00 C ATOM 751 CG TYR A 45 2.518 -0.319 -11.451 1.00 0.00 C ATOM 752 CD1 TYR A 45 2.759 -1.606 -10.986 1.00 0.00 C ATOM 753 CD2 TYR A 45 1.648 -0.161 -12.522 1.00 0.00 C ATOM 754 CE1 TYR A 45 2.154 -2.699 -11.571 1.00 0.00 C ATOM 755 CE2 TYR A 45 1.038 -1.252 -13.112 1.00 0.00 C ATOM 756 CZ TYR A 45 1.296 -2.516 -12.632 1.00 0.00 C ATOM 757 OH TYR A 45 0.687 -3.605 -13.210 1.00 0.00 O ATOM 0 H TYR A 45 1.204 2.572 -10.692 1.00 0.00 H new ATOM 0 HA TYR A 45 2.265 0.481 -8.911 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.225 1.691 -11.518 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.207 0.614 -10.544 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.431 -1.753 -10.153 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.445 0.830 -12.900 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.352 -3.693 -11.199 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.363 -1.114 -13.944 1.00 0.00 H new ATOM 0 HH TYR A 45 0.112 -3.306 -13.945 1.00 0.00 H new ATOM 767 N VAL A 46 3.269 2.218 -7.450 1.00 0.00 N ATOM 768 CA VAL A 46 3.987 3.118 -6.558 1.00 0.00 C ATOM 769 C VAL A 46 4.541 2.340 -5.372 1.00 0.00 C ATOM 770 O VAL A 46 4.737 1.126 -5.457 1.00 0.00 O ATOM 771 CB VAL A 46 3.070 4.256 -6.038 1.00 0.00 C ATOM 772 CG1 VAL A 46 2.723 5.231 -7.153 1.00 0.00 C ATOM 773 CG2 VAL A 46 1.802 3.685 -5.416 1.00 0.00 C ATOM 0 H VAL A 46 2.730 1.499 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 46 4.803 3.566 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 46 3.617 4.801 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.079 6.018 -6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.638 5.673 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.203 4.701 -7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.173 4.500 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.258 3.109 -6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.067 3.037 -4.580 1.00 0.00 H new ATOM 783 N GLY A 47 4.800 3.035 -4.276 1.00 0.00 N ATOM 784 CA GLY A 47 5.244 2.373 -3.072 1.00 0.00 C ATOM 785 C GLY A 47 6.365 3.119 -2.388 1.00 0.00 C ATOM 786 O GLY A 47 6.112 3.975 -1.544 1.00 0.00 O ATOM 0 H GLY A 47 4.710 4.048 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.404 2.273 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.578 1.365 -3.316 1.00 0.00 H new ATOM 790 N VAL A 48 7.599 2.813 -2.791 1.00 0.00 N ATOM 791 CA VAL A 48 8.795 3.375 -2.167 1.00 0.00 C ATOM 792 C VAL A 48 8.959 2.841 -0.742 1.00 0.00 C ATOM 793 O VAL A 48 8.094 3.041 0.109 1.00 0.00 O ATOM 794 CB VAL A 48 8.785 4.924 -2.153 1.00 0.00 C ATOM 795 CG1 VAL A 48 10.037 5.467 -1.479 1.00 0.00 C ATOM 796 CG2 VAL A 48 8.662 5.477 -3.567 1.00 0.00 C ATOM 0 H VAL A 48 7.796 2.170 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 48 9.644 3.060 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 48 7.917 5.249 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.008 6.557 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.082 5.107 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.919 5.127 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.657 6.566 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.507 5.137 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.734 5.124 -4.016 1.00 0.00 H new ATOM 806 N PRO A 49 10.068 2.120 -0.486 1.00 0.00 N ATOM 807 CA PRO A 49 10.370 1.536 0.826 1.00 0.00 C ATOM 808 C PRO A 49 10.091 2.484 1.993 1.00 0.00 C ATOM 809 O PRO A 49 10.846 3.427 2.245 1.00 0.00 O ATOM 810 CB PRO A 49 11.858 1.231 0.733 1.00 0.00 C ATOM 811 CG PRO A 49 12.101 0.962 -0.710 1.00 0.00 C ATOM 812 CD PRO A 49 11.113 1.801 -1.478 1.00 0.00 C ATOM 0 HA PRO A 49 9.744 0.668 1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.457 2.071 1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.125 0.370 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.124 1.219 -0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.967 -0.096 -0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.578 2.704 -1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.703 1.256 -2.329 1.00 0.00 H new ATOM 820 N THR A 50 9.002 2.216 2.695 1.00 0.00 N ATOM 821 CA THR A 50 8.549 3.061 3.786 1.00 0.00 C ATOM 822 C THR A 50 8.216 2.232 5.025 1.00 0.00 C ATOM 823 O THR A 50 8.611 1.071 5.125 1.00 0.00 O ATOM 824 CB THR A 50 7.305 3.845 3.355 1.00 0.00 C ATOM 825 OG1 THR A 50 6.537 3.054 2.440 1.00 0.00 O ATOM 826 CG2 THR A 50 7.682 5.172 2.711 1.00 0.00 C ATOM 0 H THR A 50 8.407 1.405 2.524 1.00 0.00 H new ATOM 0 HA THR A 50 9.356 3.750 4.035 1.00 0.00 H new ATOM 0 HB THR A 50 6.710 4.063 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.977 3.047 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.777 5.704 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.242 5.776 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.297 4.987 1.830 1.00 0.00 H new ATOM 834 N LYS A 51 7.490 2.832 5.962 1.00 0.00 N ATOM 835 CA LYS A 51 7.091 2.142 7.180 1.00 0.00 C ATOM 836 C LYS A 51 5.571 2.110 7.308 1.00 0.00 C ATOM 837 O LYS A 51 4.856 2.566 6.418 1.00 0.00 O ATOM 838 CB LYS A 51 7.712 2.810 8.406 1.00 0.00 C ATOM 839 CG LYS A 51 9.231 2.749 8.420 1.00 0.00 C ATOM 840 CD LYS A 51 9.802 3.304 9.713 1.00 0.00 C ATOM 841 CE LYS A 51 9.367 2.478 10.913 1.00 0.00 C ATOM 842 NZ LYS A 51 9.963 2.978 12.174 1.00 0.00 N ATOM 0 H LYS A 51 7.166 3.797 5.900 1.00 0.00 H new ATOM 0 HA LYS A 51 7.455 1.116 7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.397 3.853 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.328 2.330 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.555 1.716 8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.626 3.314 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.890 3.318 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.476 4.336 9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.280 2.498 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.657 1.438 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.642 2.388 12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.000 2.935 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.666 3.962 12.332 1.00 0.00 H new ATOM 856 N SER A 52 5.087 1.579 8.424 1.00 0.00 N ATOM 857 CA SER A 52 3.659 1.405 8.644 1.00 0.00 C ATOM 858 C SER A 52 2.936 2.745 8.757 1.00 0.00 C ATOM 859 O SER A 52 3.355 3.631 9.505 1.00 0.00 O ATOM 860 CB SER A 52 3.433 0.579 9.911 1.00 0.00 C ATOM 861 OG SER A 52 4.672 0.216 10.503 1.00 0.00 O ATOM 0 H SER A 52 5.670 1.259 9.197 1.00 0.00 H new ATOM 0 HA SER A 52 3.246 0.881 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.838 1.152 10.623 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.863 -0.318 9.669 1.00 0.00 H new ATOM 0 HG SER A 52 5.158 -0.387 9.902 1.00 0.00 H new ATOM 867 N GLY A 53 1.862 2.892 7.995 1.00 0.00 N ATOM 868 CA GLY A 53 1.053 4.089 8.075 1.00 0.00 C ATOM 869 C GLY A 53 1.449 5.122 7.045 1.00 0.00 C ATOM 870 O GLY A 53 1.169 6.309 7.212 1.00 0.00 O ATOM 0 H GLY A 53 1.536 2.200 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.004 3.825 7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.145 4.520 9.072 1.00 0.00 H new ATOM 874 N ASN A 54 2.093 4.680 5.971 1.00 0.00 N ATOM 875 CA ASN A 54 2.517 5.601 4.923 1.00 0.00 C ATOM 876 C ASN A 54 1.381 5.834 3.937 1.00 0.00 C ATOM 877 O ASN A 54 0.716 4.892 3.509 1.00 0.00 O ATOM 878 CB ASN A 54 3.767 5.095 4.185 1.00 0.00 C ATOM 879 CG ASN A 54 3.525 3.847 3.354 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.819 2.689 3.921 1.00 0.00 O flip ATOM 881 ND2 ASN A 54 3.101 3.924 2.200 1.00 0.00 N flip ATOM 0 H ASN A 54 2.331 3.702 5.804 1.00 0.00 H new ATOM 0 HA ASN A 54 2.779 6.545 5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.139 5.887 3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.550 4.888 4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.885 4.835 1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.966 3.077 1.649 1.00 0.00 H new ATOM 888 N VAL A 55 1.147 7.094 3.601 1.00 0.00 N ATOM 889 CA VAL A 55 0.065 7.456 2.700 1.00 0.00 C ATOM 890 C VAL A 55 0.552 7.479 1.258 1.00 0.00 C ATOM 891 O VAL A 55 1.467 8.234 0.918 1.00 0.00 O ATOM 892 CB VAL A 55 -0.517 8.845 3.039 1.00 0.00 C ATOM 893 CG1 VAL A 55 -1.650 9.205 2.087 1.00 0.00 C ATOM 894 CG2 VAL A 55 -0.995 8.894 4.479 1.00 0.00 C ATOM 0 H VAL A 55 1.695 7.885 3.941 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.713 6.702 2.822 1.00 0.00 H new ATOM 0 HB VAL A 55 0.278 9.581 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.044 10.188 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.274 9.223 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.444 8.463 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.401 9.882 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.770 8.143 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.158 8.692 5.147 1.00 0.00 H new ATOM 904 N VAL A 56 -0.052 6.662 0.412 1.00 0.00 N ATOM 905 CA VAL A 56 0.271 6.688 -1.004 1.00 0.00 C ATOM 906 C VAL A 56 -0.668 7.634 -1.752 1.00 0.00 C ATOM 907 O VAL A 56 -0.217 8.535 -2.460 1.00 0.00 O ATOM 908 CB VAL A 56 0.248 5.278 -1.646 1.00 0.00 C ATOM 909 CG1 VAL A 56 1.466 4.482 -1.204 1.00 0.00 C ATOM 910 CG2 VAL A 56 -1.028 4.522 -1.297 1.00 0.00 C ATOM 0 H VAL A 56 -0.762 5.979 0.677 1.00 0.00 H new ATOM 0 HA VAL A 56 1.293 7.059 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 56 0.273 5.405 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.440 3.493 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.372 5.001 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.460 4.380 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.007 3.538 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.099 4.408 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.892 5.079 -1.660 1.00 0.00 H new ATOM 920 N CYS A 57 -1.968 7.446 -1.576 1.00 0.00 N ATOM 921 CA CYS A 57 -2.955 8.307 -2.207 1.00 0.00 C ATOM 922 C CYS A 57 -3.979 8.779 -1.187 1.00 0.00 C ATOM 923 O CYS A 57 -4.700 7.972 -0.599 1.00 0.00 O ATOM 924 CB CYS A 57 -3.645 7.577 -3.359 1.00 0.00 C ATOM 925 SG CYS A 57 -2.513 7.067 -4.671 1.00 0.00 S ATOM 0 H CYS A 57 -2.363 6.703 -1.000 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.442 9.180 -2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.155 6.697 -2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.411 8.226 -3.783 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.616 6.264 -4.182 1.00 0.00 H new ATOM 931 N LYS A 58 -4.031 10.083 -0.972 1.00 0.00 N ATOM 932 CA LYS A 58 -4.973 10.657 -0.030 1.00 0.00 C ATOM 933 C LYS A 58 -6.178 11.209 -0.778 1.00 0.00 C ATOM 934 O LYS A 58 -6.020 11.886 -1.795 1.00 0.00 O ATOM 935 CB LYS A 58 -4.298 11.761 0.790 1.00 0.00 C ATOM 936 CG LYS A 58 -5.106 12.220 1.993 1.00 0.00 C ATOM 937 CD LYS A 58 -4.335 13.229 2.827 1.00 0.00 C ATOM 938 CE LYS A 58 -5.037 13.529 4.144 1.00 0.00 C ATOM 939 NZ LYS A 58 -5.042 12.351 5.055 1.00 0.00 N ATOM 0 H LYS A 58 -3.431 10.763 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.310 9.879 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.327 11.403 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.111 12.618 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.043 12.664 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.365 11.359 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.335 12.846 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.215 14.153 2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.542 14.366 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.063 13.838 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.326 12.651 6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.715 11.641 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.089 11.936 5.091 1.00 0.00 H new ATOM 953 N ASN A 59 -7.373 10.881 -0.290 1.00 0.00 N ATOM 954 CA ASN A 59 -8.626 11.357 -0.882 1.00 0.00 C ATOM 955 C ASN A 59 -8.818 10.747 -2.269 1.00 0.00 C ATOM 956 O ASN A 59 -9.293 11.401 -3.198 1.00 0.00 O ATOM 957 CB ASN A 59 -8.637 12.891 -0.948 1.00 0.00 C ATOM 958 CG ASN A 59 -10.013 13.462 -1.235 1.00 0.00 C ATOM 959 OD1 ASN A 59 -11.031 12.872 -0.874 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.054 14.610 -1.886 1.00 0.00 N ATOM 0 H ASN A 59 -7.502 10.280 0.524 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.457 11.041 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.273 13.292 -0.002 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.944 13.221 -1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.953 15.039 -2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.187 15.068 -2.168 1.00 0.00 H new ATOM 967 N ILE A 60 -8.456 9.474 -2.395 1.00 0.00 N ATOM 968 CA ILE A 60 -8.636 8.747 -3.645 1.00 0.00 C ATOM 969 C ILE A 60 -10.122 8.686 -4.003 1.00 0.00 C ATOM 970 O ILE A 60 -10.955 8.347 -3.160 1.00 0.00 O ATOM 971 CB ILE A 60 -8.033 7.319 -3.562 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.222 6.567 -4.888 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.644 6.534 -2.407 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.554 5.205 -4.923 1.00 0.00 C ATOM 0 H ILE A 60 -8.036 8.925 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.103 9.282 -4.431 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.964 7.418 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.289 6.443 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.825 7.176 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.204 5.537 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.445 7.052 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.721 6.450 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.733 4.737 -5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.481 5.322 -4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.968 4.577 -4.134 1.00 0.00 H new ATOM 986 N MET A 61 -10.446 9.080 -5.234 1.00 0.00 N ATOM 987 CA MET A 61 -11.832 9.134 -5.717 1.00 0.00 C ATOM 988 C MET A 61 -12.644 10.195 -4.970 1.00 0.00 C ATOM 989 O MET A 61 -13.876 10.191 -5.026 1.00 0.00 O ATOM 990 CB MET A 61 -12.533 7.773 -5.591 1.00 0.00 C ATOM 991 CG MET A 61 -11.978 6.687 -6.499 1.00 0.00 C ATOM 992 SD MET A 61 -13.000 5.199 -6.481 1.00 0.00 S ATOM 993 CE MET A 61 -12.176 4.204 -7.717 1.00 0.00 C ATOM 0 H MET A 61 -9.757 9.372 -5.928 1.00 0.00 H new ATOM 0 HA MET A 61 -11.781 9.404 -6.772 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.460 7.436 -4.557 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.593 7.904 -5.809 1.00 0.00 H new ATOM 0 HG2 MET A 61 -11.910 7.067 -7.518 1.00 0.00 H new ATOM 0 HG3 MET A 61 -10.965 6.435 -6.185 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.916 3.785 -8.399 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.477 4.825 -8.277 1.00 0.00 H new ATOM 0 HE3 MET A 61 -11.633 3.395 -7.229 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.950 11.107 -4.282 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.602 12.153 -3.482 1.00 0.00 C ATOM 1005 C ASN A 62 -13.468 11.538 -2.386 1.00 0.00 C ATOM 1006 O ASN A 62 -14.534 12.055 -2.047 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.444 13.082 -4.365 1.00 0.00 C ATOM 1008 CG ASN A 62 -12.641 14.239 -4.930 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -12.039 14.134 -5.999 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -12.644 15.356 -4.221 1.00 0.00 N ATOM 0 H ASN A 62 -10.931 11.143 -4.262 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.817 12.747 -3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.872 12.507 -5.186 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.277 13.474 -3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.134 16.174 -4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.156 15.400 -3.340 1.00 0.00 H new ATOM 1017 N THR A 63 -12.990 10.437 -1.826 1.00 0.00 N ATOM 1018 CA THR A 63 -13.708 9.732 -0.776 1.00 0.00 C ATOM 1019 C THR A 63 -13.462 10.364 0.586 1.00 0.00 C ATOM 1020 O THR A 63 -14.297 10.280 1.484 1.00 0.00 O ATOM 1021 CB THR A 63 -13.272 8.259 -0.721 1.00 0.00 C ATOM 1022 OG1 THR A 63 -11.845 8.185 -0.606 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.721 7.517 -1.965 1.00 0.00 C ATOM 0 H THR A 63 -12.100 10.010 -2.084 1.00 0.00 H new ATOM 0 HA THR A 63 -14.770 9.798 -1.012 1.00 0.00 H new ATOM 0 HB THR A 63 -13.737 7.792 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.442 8.236 -1.498 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.401 6.477 -1.904 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.808 7.559 -2.041 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.277 7.981 -2.846 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.323 11.022 0.725 1.00 0.00 N ATOM 1032 CA GLY A 64 -11.901 11.501 2.020 1.00 0.00 C ATOM 1033 C GLY A 64 -11.067 10.466 2.744 1.00 0.00 C ATOM 1034 O GLY A 64 -10.782 10.604 3.929 1.00 0.00 O ATOM 0 H GLY A 64 -11.682 11.233 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.324 12.418 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.776 11.751 2.620 1.00 0.00 H new ATOM 1038 N VAL A 65 -10.688 9.418 2.024 1.00 0.00 N ATOM 1039 CA VAL A 65 -9.866 8.353 2.580 1.00 0.00 C ATOM 1040 C VAL A 65 -8.453 8.400 2.012 1.00 0.00 C ATOM 1041 O VAL A 65 -8.270 8.519 0.800 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.470 6.960 2.278 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.508 5.853 2.680 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -11.805 6.780 2.983 1.00 0.00 C ATOM 0 H VAL A 65 -10.940 9.283 1.045 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.835 8.509 3.658 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.639 6.898 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.955 4.884 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.577 5.960 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.301 5.921 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.207 5.793 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.663 6.873 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.503 7.545 2.641 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.458 8.327 2.885 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.084 8.157 2.443 1.00 0.00 C ATOM 1056 C ASP A 66 -5.676 6.700 2.576 1.00 0.00 C ATOM 1057 O ASP A 66 -5.810 6.094 3.640 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.105 9.072 3.198 1.00 0.00 C ATOM 1059 CG ASP A 66 -5.257 9.053 4.708 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -6.126 9.786 5.224 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -4.479 8.360 5.388 1.00 0.00 O ATOM 0 H ASP A 66 -7.576 8.383 3.897 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.036 8.451 1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.086 8.779 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.239 10.095 2.846 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.218 6.137 1.471 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.807 4.745 1.434 1.00 0.00 C ATOM 1068 C ILE A 67 -3.398 4.621 1.981 1.00 0.00 C ATOM 1069 O ILE A 67 -2.465 5.250 1.470 1.00 0.00 O ATOM 1070 CB ILE A 67 -4.862 4.174 -0.002 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.284 4.281 -0.568 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.387 2.725 -0.032 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.328 3.547 0.254 1.00 0.00 C ATOM 0 H ILE A 67 -5.121 6.627 0.582 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.499 4.169 2.049 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.192 4.765 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.561 5.333 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.291 3.886 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.436 2.347 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.359 2.672 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.027 2.119 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.307 3.669 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.077 2.487 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.351 3.957 1.264 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.249 3.830 3.026 1.00 0.00 N ATOM 1086 CA ILE A 68 -1.978 3.722 3.713 1.00 0.00 C ATOM 1087 C ILE A 68 -1.459 2.293 3.713 1.00 0.00 C ATOM 1088 O ILE A 68 -2.217 1.339 3.897 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.077 4.236 5.163 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.231 3.555 5.905 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.250 5.746 5.176 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.449 4.092 7.301 1.00 0.00 C ATOM 0 H ILE A 68 -3.993 3.253 3.417 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.273 4.347 3.165 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.150 3.987 5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.148 3.680 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.034 2.484 5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.319 6.096 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.394 6.214 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.162 6.012 4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.281 3.565 7.768 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.546 3.942 7.893 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.677 5.157 7.250 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.168 2.154 3.486 1.00 0.00 N ATOM 1105 CA CYS A 69 0.477 0.858 3.545 1.00 0.00 C ATOM 1106 C CYS A 69 0.987 0.628 4.960 1.00 0.00 C ATOM 1107 O CYS A 69 1.466 1.559 5.609 1.00 0.00 O ATOM 1108 CB CYS A 69 1.631 0.795 2.550 1.00 0.00 C ATOM 1109 SG CYS A 69 1.326 1.695 1.013 1.00 0.00 S ATOM 0 H CYS A 69 0.457 2.927 3.258 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.240 0.080 3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.527 1.197 3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.836 -0.249 2.313 1.00 0.00 H new ATOM 0 HG CYS A 69 2.361 1.586 0.234 1.00 0.00 H new ATOM 1115 N THR A 70 0.886 -0.594 5.443 1.00 0.00 N ATOM 1116 CA THR A 70 1.246 -0.882 6.821 1.00 0.00 C ATOM 1117 C THR A 70 2.504 -1.751 6.891 1.00 0.00 C ATOM 1118 O THR A 70 2.968 -2.116 7.971 1.00 0.00 O ATOM 1119 CB THR A 70 0.071 -1.572 7.556 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.323 -1.638 8.966 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.166 -2.978 7.012 1.00 0.00 C ATOM 0 H THR A 70 0.560 -1.399 4.908 1.00 0.00 H new ATOM 0 HA THR A 70 1.460 0.064 7.318 1.00 0.00 H new ATOM 0 HB THR A 70 -0.823 -0.974 7.381 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.274 -1.818 9.120 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.997 -3.440 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.404 -2.922 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.733 -3.578 7.151 1.00 0.00 H new ATOM 1129 N LYS A 71 3.071 -2.054 5.738 1.00 0.00 N ATOM 1130 CA LYS A 71 4.240 -2.915 5.669 1.00 0.00 C ATOM 1131 C LYS A 71 5.506 -2.082 5.607 1.00 0.00 C ATOM 1132 O LYS A 71 5.597 -1.137 4.820 1.00 0.00 O ATOM 1133 CB LYS A 71 4.156 -3.828 4.452 1.00 0.00 C ATOM 1134 CG LYS A 71 4.361 -5.304 4.754 1.00 0.00 C ATOM 1135 CD LYS A 71 5.772 -5.598 5.230 1.00 0.00 C ATOM 1136 CE LYS A 71 5.958 -7.083 5.497 1.00 0.00 C ATOM 1137 NZ LYS A 71 7.302 -7.385 6.047 1.00 0.00 N ATOM 0 H LYS A 71 2.741 -1.716 4.834 1.00 0.00 H new ATOM 0 HA LYS A 71 4.268 -3.531 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.180 -3.698 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.904 -3.512 3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.648 -5.620 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.151 -5.889 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.489 -5.267 4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.978 -5.033 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.195 -7.424 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.812 -7.639 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.387 -8.408 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.030 -7.084 5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.432 -6.875 6.944 1.00 0.00 H new ATOM 1151 N ASN A 72 6.475 -2.428 6.435 1.00 0.00 N ATOM 1152 CA ASN A 72 7.753 -1.737 6.448 1.00 0.00 C ATOM 1153 C ASN A 72 8.650 -2.316 5.369 1.00 0.00 C ATOM 1154 O ASN A 72 9.053 -3.476 5.439 1.00 0.00 O ATOM 1155 CB ASN A 72 8.431 -1.844 7.822 1.00 0.00 C ATOM 1156 CG ASN A 72 7.671 -1.123 8.928 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.348 -1.173 8.882 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.273 -0.542 9.831 1.00 0.00 N flip ATOM 0 H ASN A 72 6.401 -3.188 7.111 1.00 0.00 H new ATOM 0 HA ASN A 72 7.579 -0.680 6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.533 -2.896 8.088 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.438 -1.433 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.293 -0.524 9.835 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.752 -0.079 10.576 1.00 0.00 H new ATOM 1165 N LEU A 73 8.948 -1.510 4.367 1.00 0.00 N ATOM 1166 CA LEU A 73 9.683 -1.983 3.205 1.00 0.00 C ATOM 1167 C LEU A 73 11.169 -1.657 3.326 1.00 0.00 C ATOM 1168 O LEU A 73 11.542 -0.502 3.552 1.00 0.00 O ATOM 1169 CB LEU A 73 9.108 -1.355 1.934 1.00 0.00 C ATOM 1170 CG LEU A 73 7.617 -1.615 1.693 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.125 -0.820 0.496 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.364 -3.100 1.479 1.00 0.00 C ATOM 0 H LEU A 73 8.693 -0.523 4.333 1.00 0.00 H new ATOM 0 HA LEU A 73 9.578 -3.067 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.270 -0.278 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.669 -1.730 1.078 1.00 0.00 H new ATOM 0 HG LEU A 73 7.065 -1.291 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.064 -1.017 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.273 0.244 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.684 -1.116 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.300 -3.267 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.928 -3.444 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.682 -3.654 2.362 1.00 0.00 H new ATOM 1184 N PRO A 74 12.033 -2.683 3.192 1.00 0.00 N ATOM 1185 CA PRO A 74 13.489 -2.507 3.206 1.00 0.00 C ATOM 1186 C PRO A 74 13.957 -1.598 2.076 1.00 0.00 C ATOM 1187 O PRO A 74 13.447 -1.671 0.951 1.00 0.00 O ATOM 1188 CB PRO A 74 14.033 -3.928 3.022 1.00 0.00 C ATOM 1189 CG PRO A 74 12.910 -4.824 3.417 1.00 0.00 C ATOM 1190 CD PRO A 74 11.655 -4.095 3.030 1.00 0.00 C ATOM 0 HA PRO A 74 13.837 -2.032 4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.335 -4.105 1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.912 -4.098 3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.978 -5.785 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.930 -5.029 4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.357 -4.319 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.816 -4.365 3.672 1.00 0.00 H new ATOM 1198 N LYS A 75 14.934 -0.756 2.375 1.00 0.00 N ATOM 1199 CA LYS A 75 15.348 0.300 1.464 1.00 0.00 C ATOM 1200 C LYS A 75 16.830 0.162 1.131 1.00 0.00 C ATOM 1201 O LYS A 75 17.529 1.153 0.909 1.00 0.00 O ATOM 1202 CB LYS A 75 15.059 1.652 2.123 1.00 0.00 C ATOM 1203 CG LYS A 75 14.943 2.813 1.151 1.00 0.00 C ATOM 1204 CD LYS A 75 14.342 4.026 1.835 1.00 0.00 C ATOM 1205 CE LYS A 75 14.104 5.165 0.862 1.00 0.00 C ATOM 1206 NZ LYS A 75 13.494 6.344 1.531 1.00 0.00 N ATOM 0 H LYS A 75 15.459 -0.784 3.249 1.00 0.00 H new ATOM 0 HA LYS A 75 14.792 0.226 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.131 1.575 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.852 1.871 2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.928 3.063 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.323 2.523 0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.399 3.747 2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.008 4.361 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.050 5.456 0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.452 4.826 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.347 7.101 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.580 6.073 1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.128 6.684 2.282 1.00 0.00 H new ATOM 1220 N ASP A 76 17.291 -1.081 1.087 1.00 0.00 N ATOM 1221 CA ASP A 76 18.693 -1.394 0.828 1.00 0.00 C ATOM 1222 C ASP A 76 19.143 -0.876 -0.533 1.00 0.00 C ATOM 1223 O ASP A 76 18.793 -1.433 -1.573 1.00 0.00 O ATOM 1224 CB ASP A 76 18.919 -2.906 0.906 1.00 0.00 C ATOM 1225 CG ASP A 76 18.627 -3.463 2.284 1.00 0.00 C ATOM 1226 OD1 ASP A 76 17.452 -3.434 2.704 1.00 0.00 O ATOM 1227 OD2 ASP A 76 19.572 -3.934 2.951 1.00 0.00 O ATOM 0 H ASP A 76 16.704 -1.903 1.230 1.00 0.00 H new ATOM 0 HA ASP A 76 19.289 -0.895 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.283 -3.404 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 76 19.951 -3.131 0.637 1.00 0.00 H new ATOM 1232 N SER A 77 19.913 0.198 -0.510 1.00 0.00 N ATOM 1233 CA SER A 77 20.434 0.805 -1.723 1.00 0.00 C ATOM 1234 C SER A 77 21.813 1.401 -1.453 1.00 0.00 C ATOM 1235 O SER A 77 22.072 2.570 -1.743 1.00 0.00 O ATOM 1236 CB SER A 77 19.463 1.881 -2.217 1.00 0.00 C ATOM 1237 OG SER A 77 19.041 2.713 -1.149 1.00 0.00 O ATOM 0 H SER A 77 20.194 0.673 0.348 1.00 0.00 H new ATOM 0 HA SER A 77 20.534 0.045 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.945 2.486 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 77 18.596 1.409 -2.680 1.00 0.00 H new ATOM 0 HG SER A 77 18.443 2.209 -0.559 1.00 0.00 H new ATOM 1243 N LEU A 78 22.694 0.575 -0.892 1.00 0.00 N ATOM 1244 CA LEU A 78 24.031 1.009 -0.484 1.00 0.00 C ATOM 1245 C LEU A 78 24.807 1.609 -1.649 1.00 0.00 C ATOM 1246 O LEU A 78 25.537 2.586 -1.485 1.00 0.00 O ATOM 1247 CB LEU A 78 24.827 -0.158 0.121 1.00 0.00 C ATOM 1248 CG LEU A 78 24.336 -0.675 1.483 1.00 0.00 C ATOM 1249 CD1 LEU A 78 24.151 0.476 2.460 1.00 0.00 C ATOM 1250 CD2 LEU A 78 23.047 -1.476 1.341 1.00 0.00 C ATOM 0 H LEU A 78 22.504 -0.410 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 78 23.898 1.781 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 78 24.812 -0.987 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 78 25.866 0.153 0.226 1.00 0.00 H new ATOM 0 HG LEU A 78 25.100 -1.344 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 78 23.803 0.088 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 78 25.102 0.990 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 78 23.415 1.176 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 78 22.727 -1.827 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 78 22.271 -0.843 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 78 23.220 -2.332 0.688 1.00 0.00 H new ATOM 1262 N GLU A 79 24.649 1.022 -2.817 1.00 0.00 N ATOM 1263 CA GLU A 79 25.289 1.538 -4.011 1.00 0.00 C ATOM 1264 C GLU A 79 24.328 2.475 -4.729 1.00 0.00 C ATOM 1265 O GLU A 79 23.296 2.046 -5.250 1.00 0.00 O ATOM 1266 CB GLU A 79 25.724 0.392 -4.929 1.00 0.00 C ATOM 1267 CG GLU A 79 26.561 0.846 -6.116 1.00 0.00 C ATOM 1268 CD GLU A 79 27.094 -0.313 -6.931 1.00 0.00 C ATOM 1269 OE1 GLU A 79 28.067 -0.954 -6.489 1.00 0.00 O ATOM 1270 OE2 GLU A 79 26.539 -0.597 -8.013 1.00 0.00 O ATOM 0 H GLU A 79 24.083 0.187 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 79 26.184 2.093 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 79 26.296 -0.331 -4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.837 -0.124 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.957 1.488 -6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 79 27.396 1.448 -5.758 1.00 0.00 H new ATOM 1277 N HIS A 80 24.657 3.758 -4.728 1.00 0.00 N ATOM 1278 CA HIS A 80 23.790 4.770 -5.315 1.00 0.00 C ATOM 1279 C HIS A 80 23.819 4.664 -6.832 1.00 0.00 C ATOM 1280 O HIS A 80 24.833 4.271 -7.411 1.00 0.00 O ATOM 1281 CB HIS A 80 24.209 6.173 -4.860 1.00 0.00 C ATOM 1282 CG HIS A 80 24.059 6.395 -3.383 1.00 0.00 C ATOM 1283 ND1 HIS A 80 23.326 7.431 -2.846 1.00 0.00 N ATOM 1284 CD2 HIS A 80 24.553 5.703 -2.329 1.00 0.00 C ATOM 1285 CE1 HIS A 80 23.379 7.366 -1.527 1.00 0.00 C ATOM 1286 NE2 HIS A 80 24.116 6.327 -1.190 1.00 0.00 N ATOM 0 H HIS A 80 25.520 4.124 -4.326 1.00 0.00 H new ATOM 0 HA HIS A 80 22.770 4.597 -4.973 1.00 0.00 H new ATOM 0 HB2 HIS A 80 25.249 6.342 -5.141 1.00 0.00 H new ATOM 0 HB3 HIS A 80 23.611 6.912 -5.393 1.00 0.00 H new ATOM 0 HD2 HIS A 80 25.176 4.822 -2.377 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.899 8.049 -0.841 1.00 0.00 H new ATOM 0 HE2 HIS A 80 24.327 6.035 -0.236 1.00 0.00 H new ATOM 1295 N HIS A 81 22.711 5.015 -7.471 1.00 0.00 N ATOM 1296 CA HIS A 81 22.571 4.834 -8.910 1.00 0.00 C ATOM 1297 C HIS A 81 23.478 5.785 -9.679 1.00 0.00 C ATOM 1298 O HIS A 81 23.240 6.992 -9.710 1.00 0.00 O ATOM 1299 CB HIS A 81 21.115 5.021 -9.346 1.00 0.00 C ATOM 1300 CG HIS A 81 20.221 3.888 -8.942 1.00 0.00 C ATOM 1301 ND1 HIS A 81 20.377 2.548 -9.074 1.00 0.00 N flip ATOM 1302 CD2 HIS A 81 18.996 4.068 -8.336 1.00 0.00 C flip ATOM 1303 CE1 HIS A 81 19.257 1.956 -8.550 1.00 0.00 C flip ATOM 1304 NE2 HIS A 81 18.440 2.892 -8.112 1.00 0.00 N flip ATOM 0 H HIS A 81 21.896 5.427 -7.016 1.00 0.00 H new ATOM 0 HA HIS A 81 22.875 3.813 -9.142 1.00 0.00 H new ATOM 0 HB2 HIS A 81 20.732 5.947 -8.917 1.00 0.00 H new ATOM 0 HB3 HIS A 81 21.080 5.133 -10.430 1.00 0.00 H new ATOM 0 HD1 HIS A 81 21.178 2.070 -9.486 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.559 5.023 -8.084 1.00 0.00 H new ATOM 0 HE1 HIS A 81 19.074 0.893 -8.504 1.00 0.00 H new ATOM 1313 N HIS A 82 24.522 5.217 -10.280 1.00 0.00 N ATOM 1314 CA HIS A 82 25.477 5.963 -11.103 1.00 0.00 C ATOM 1315 C HIS A 82 26.283 6.969 -10.290 1.00 0.00 C ATOM 1316 O HIS A 82 25.846 8.096 -10.050 1.00 0.00 O ATOM 1317 CB HIS A 82 24.775 6.673 -12.268 1.00 0.00 C ATOM 1318 CG HIS A 82 24.607 5.813 -13.480 1.00 0.00 C ATOM 1319 ND1 HIS A 82 23.728 4.752 -13.540 1.00 0.00 N ATOM 1320 CD2 HIS A 82 25.215 5.861 -14.687 1.00 0.00 C ATOM 1321 CE1 HIS A 82 23.805 4.188 -14.729 1.00 0.00 C ATOM 1322 NE2 HIS A 82 24.698 4.841 -15.443 1.00 0.00 N ATOM 0 H HIS A 82 24.732 4.221 -10.210 1.00 0.00 H new ATOM 0 HA HIS A 82 26.173 5.227 -11.506 1.00 0.00 H new ATOM 0 HB2 HIS A 82 23.794 7.014 -11.936 1.00 0.00 H new ATOM 0 HB3 HIS A 82 25.347 7.561 -12.539 1.00 0.00 H new ATOM 0 HD2 HIS A 82 25.968 6.571 -14.997 1.00 0.00 H new ATOM 0 HE1 HIS A 82 23.232 3.335 -15.061 1.00 0.00 H new ATOM 0 HE2 HIS A 82 24.962 4.623 -16.404 1.00 0.00 H new ATOM 1331 N HIS A 83 27.466 6.553 -9.868 1.00 0.00 N ATOM 1332 CA HIS A 83 28.402 7.461 -9.224 1.00 0.00 C ATOM 1333 C HIS A 83 29.450 7.878 -10.250 1.00 0.00 C ATOM 1334 O HIS A 83 29.684 7.155 -11.221 1.00 0.00 O ATOM 1335 CB HIS A 83 29.057 6.809 -7.991 1.00 0.00 C ATOM 1336 CG HIS A 83 30.055 5.733 -8.302 1.00 0.00 C ATOM 1337 ND1 HIS A 83 29.709 4.417 -8.516 1.00 0.00 N ATOM 1338 CD2 HIS A 83 31.401 5.789 -8.426 1.00 0.00 C ATOM 1339 CE1 HIS A 83 30.801 3.713 -8.755 1.00 0.00 C ATOM 1340 NE2 HIS A 83 31.839 4.523 -8.707 1.00 0.00 N ATOM 0 H HIS A 83 27.801 5.594 -9.959 1.00 0.00 H new ATOM 0 HA HIS A 83 27.869 8.341 -8.865 1.00 0.00 H new ATOM 0 HB2 HIS A 83 29.551 7.585 -7.407 1.00 0.00 H new ATOM 0 HB3 HIS A 83 28.273 6.387 -7.362 1.00 0.00 H new ATOM 0 HD2 HIS A 83 32.017 6.670 -8.322 1.00 0.00 H new ATOM 0 HE1 HIS A 83 30.837 2.652 -8.956 1.00 0.00 H new ATOM 0 HE2 HIS A 83 32.811 4.251 -8.855 1.00 0.00 H new ATOM 1349 N HIS A 84 30.076 9.025 -10.049 1.00 0.00 N ATOM 1350 CA HIS A 84 31.012 9.543 -11.039 1.00 0.00 C ATOM 1351 C HIS A 84 32.422 9.626 -10.476 1.00 0.00 C ATOM 1352 O HIS A 84 32.652 9.401 -9.285 1.00 0.00 O ATOM 1353 CB HIS A 84 30.575 10.926 -11.555 1.00 0.00 C ATOM 1354 CG HIS A 84 30.774 12.058 -10.583 1.00 0.00 C ATOM 1355 ND1 HIS A 84 31.967 12.746 -10.454 1.00 0.00 N ATOM 1356 CD2 HIS A 84 29.922 12.629 -9.699 1.00 0.00 C ATOM 1357 CE1 HIS A 84 31.833 13.685 -9.540 1.00 0.00 C ATOM 1358 NE2 HIS A 84 30.603 13.640 -9.064 1.00 0.00 N ATOM 0 H HIS A 84 29.958 9.610 -9.222 1.00 0.00 H new ATOM 0 HA HIS A 84 31.010 8.844 -11.875 1.00 0.00 H new ATOM 0 HB2 HIS A 84 31.128 11.149 -12.467 1.00 0.00 H new ATOM 0 HB3 HIS A 84 29.520 10.880 -11.825 1.00 0.00 H new ATOM 0 HD1 HIS A 84 32.818 12.556 -10.984 1.00 0.00 H new ATOM 0 HD2 HIS A 84 28.895 12.343 -9.525 1.00 0.00 H new ATOM 0 HE1 HIS A 84 32.602 14.377 -9.231 1.00 0.00 H new ATOM 1367 N HIS A 85 33.353 9.953 -11.345 1.00 0.00 N ATOM 1368 CA HIS A 85 34.721 10.210 -10.956 1.00 0.00 C ATOM 1369 C HIS A 85 35.186 11.490 -11.638 1.00 0.00 C ATOM 1370 O HIS A 85 36.114 11.438 -12.471 1.00 0.00 O ATOM 1371 CB HIS A 85 35.630 9.016 -11.307 1.00 0.00 C ATOM 1372 CG HIS A 85 35.474 8.506 -12.711 1.00 0.00 C ATOM 1373 ND1 HIS A 85 36.211 8.981 -13.773 1.00 0.00 N ATOM 1374 CD2 HIS A 85 34.661 7.550 -13.220 1.00 0.00 C ATOM 1375 CE1 HIS A 85 35.856 8.344 -14.872 1.00 0.00 C ATOM 1376 NE2 HIS A 85 34.919 7.472 -14.563 1.00 0.00 N ATOM 1377 OXT HIS A 85 34.572 12.542 -11.370 1.00 0.00 O ATOM 0 H HIS A 85 33.181 10.048 -12.346 1.00 0.00 H new ATOM 0 HA HIS A 85 34.780 10.338 -9.875 1.00 0.00 H new ATOM 0 HB2 HIS A 85 36.669 9.309 -11.154 1.00 0.00 H new ATOM 0 HB3 HIS A 85 35.423 8.201 -10.613 1.00 0.00 H new ATOM 0 HD1 HIS A 85 36.921 9.712 -13.718 1.00 0.00 H new ATOM 0 HD2 HIS A 85 33.943 6.959 -12.670 1.00 0.00 H new ATOM 0 HE1 HIS A 85 36.264 8.510 -15.858 1.00 0.00 H new TER 1386 HIS A 85