USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 883 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 7 ASN : amide:sc= -3.41! C(o=-2.2!,f=-7.8!) USER MOD Set 1.2: A 113 THR OG1 : rot -30:sc= 1.19 USER MOD Set 2.1: A 45 GLN : amide:sc= -0.435! C(o=0.43!,f=-3.5!) USER MOD Set 2.2: A 47 SER OG : rot 174:sc= 0.864 USER MOD Set 3.1: A 34 MET CE :methyl 154:sc= -4.9! (180deg=-4.34!) USER MOD Set 3.2: A 58 HIS : no HD1:sc= -1.36 K(o=-6.3,f=-10!) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.0841 (180deg=-0.814) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0365 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -7.06! C(o=-8.1!,f=-7.1!) USER MOD Single : A 3 THR OG1 : rot 108:sc= 0.711 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.885! C(o=-4.6!,f=-0.89!) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.47 F(o=-3.8!,f=-0.47) USER MOD Single : A 10 LYS NZ :NH3+ -127:sc= -0.373 (180deg=-1.35!) USER MOD Single : A 15 SER OG : rot 6:sc= 0.0655 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.393 K(o=-0.39,f=-2.6!) USER MOD Single : A 36 SER OG : rot 35:sc= -1.13! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 153:sc= 1.19 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 52 TYR OH : rot 20:sc= 0.991 USER MOD Single : A 54 LYS NZ :NH3+ 137:sc=-0.00586 (180deg=-0.217) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= -0.0549 (180deg=-0.499) USER MOD Single : A 62 SER OG : rot 85:sc= 1.23 USER MOD Single : A 63 SER OG : rot 84:sc= -0.913! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 93:sc= 0.589 USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= -0.0856 (180deg=-0.239) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0147) USER MOD Single : A 84 LYS NZ :NH3+ -124:sc= 0.995 (180deg=0.331) USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.219 F(o=-1,f=-0.22) USER MOD Single : A 89 GLN : amide:sc= -3.2! C(o=-3.2!,f=-8.8!) USER MOD Single : A 91 GLN : amide:sc= -0.0872 X(o=-0.087,f=-0.47) USER MOD Single : A 93 MET CE :methyl -174:sc= -0.359 (180deg=-0.418) USER MOD Single : A 95 THR OG1 : rot 66:sc= 1.13 USER MOD Single : A 96 SER OG : rot 180:sc= -0.621 USER MOD Single : A 98 MET CE :methyl -159:sc= 0 (180deg=-0.608) USER MOD Single : A 103 HIS : no HE2:sc= -3.74! C(o=-3.7!,f=-5.5!) USER MOD Single : A 105 THR OG1 : rot 21:sc= 0.256 USER MOD Single : A 109 TYR OH : rot 180:sc= -1.68! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.918! C(o=-0.92!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.017 2.918 11.295 1.00 0.00 N ATOM 2 CA MET A 1 0.823 3.775 11.231 1.00 0.00 C ATOM 3 C MET A 1 0.761 4.486 9.892 1.00 0.00 C ATOM 4 O MET A 1 1.790 4.842 9.337 1.00 0.00 O ATOM 5 CB MET A 1 0.845 4.824 12.360 1.00 0.00 C ATOM 6 CG MET A 1 -0.281 5.853 12.265 1.00 0.00 C ATOM 7 SD MET A 1 -0.244 7.102 13.570 1.00 0.00 S ATOM 8 CE MET A 1 1.368 7.854 13.307 1.00 0.00 C ATOM 0 H1 MET A 1 1.727 1.919 11.304 1.00 0.00 H new ATOM 0 H2 MET A 1 2.618 3.097 10.465 1.00 0.00 H new ATOM 0 H3 MET A 1 2.551 3.131 12.161 1.00 0.00 H new ATOM 0 HA MET A 1 -0.056 3.141 11.350 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.778 4.313 13.320 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.803 5.344 12.342 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.224 6.351 11.297 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.239 5.333 12.300 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.347 8.889 13.649 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.123 7.302 13.867 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.613 7.828 12.245 1.00 0.00 H new ATOM 18 N ASN A 2 -0.445 4.663 9.368 1.00 0.00 N ATOM 19 CA ASN A 2 -0.637 5.456 8.163 1.00 0.00 C ATOM 20 C ASN A 2 -0.700 6.923 8.586 1.00 0.00 C ATOM 21 O ASN A 2 0.245 7.656 8.373 1.00 0.00 O ATOM 22 CB ASN A 2 -1.916 5.045 7.428 1.00 0.00 C ATOM 23 CG ASN A 2 -2.123 5.797 6.132 1.00 0.00 C ATOM 24 OD1 ASN A 2 -1.703 5.205 5.045 1.00 0.00 O flip ATOM 25 ND2 ASN A 2 -2.695 6.878 6.107 1.00 0.00 N flip ATOM 0 H ASN A 2 -1.302 4.269 9.758 1.00 0.00 H new ATOM 0 HA ASN A 2 0.189 5.293 7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.880 3.976 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.773 5.214 8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.009 7.309 6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.858 7.348 5.217 1.00 0.00 H new ATOM 32 N THR A 3 -1.855 7.325 9.136 1.00 0.00 N ATOM 33 CA THR A 3 -2.118 8.564 9.860 1.00 0.00 C ATOM 34 C THR A 3 -2.936 9.653 9.141 1.00 0.00 C ATOM 35 O THR A 3 -3.285 9.571 7.936 1.00 0.00 O ATOM 36 CB THR A 3 -0.935 9.138 10.713 1.00 0.00 C ATOM 37 OG1 THR A 3 -1.472 9.808 11.867 1.00 0.00 O ATOM 38 CG2 THR A 3 -0.110 10.146 9.930 1.00 0.00 C ATOM 0 H THR A 3 -2.690 6.743 9.078 1.00 0.00 H new ATOM 0 HA THR A 3 -2.824 8.172 10.592 1.00 0.00 H new ATOM 0 HB THR A 3 -0.294 8.303 10.995 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.298 9.270 12.668 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.699 10.519 10.557 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.308 9.665 9.046 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.745 10.977 9.625 1.00 0.00 H new ATOM 46 N ASP A 4 -3.283 10.620 9.966 1.00 0.00 N ATOM 47 CA ASP A 4 -4.109 11.764 9.616 1.00 0.00 C ATOM 48 C ASP A 4 -3.342 12.705 8.706 1.00 0.00 C ATOM 49 O ASP A 4 -2.670 13.636 9.156 1.00 0.00 O ATOM 50 CB ASP A 4 -4.621 12.485 10.865 1.00 0.00 C ATOM 51 CG ASP A 4 -5.549 13.653 10.578 1.00 0.00 C ATOM 52 OD1 ASP A 4 -5.897 13.906 9.406 1.00 0.00 O ATOM 53 OD2 ASP A 4 -5.965 14.329 11.537 1.00 0.00 O ATOM 0 H ASP A 4 -2.985 10.633 10.942 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.984 11.404 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.145 11.767 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.767 12.847 11.437 1.00 0.00 H new ATOM 58 N VAL A 5 -3.374 12.395 7.427 1.00 0.00 N ATOM 59 CA VAL A 5 -2.657 13.108 6.403 1.00 0.00 C ATOM 60 C VAL A 5 -3.239 12.705 5.058 1.00 0.00 C ATOM 61 O VAL A 5 -3.708 13.530 4.291 1.00 0.00 O ATOM 62 CB VAL A 5 -1.114 12.787 6.456 1.00 0.00 C ATOM 63 CG1 VAL A 5 -0.828 11.275 6.484 1.00 0.00 C ATOM 64 CG2 VAL A 5 -0.394 13.419 5.271 1.00 0.00 C ATOM 0 H VAL A 5 -3.919 11.613 7.065 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.765 14.181 6.559 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.739 13.214 7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.249 11.109 6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.293 10.833 7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.237 10.811 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.670 13.186 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.805 13.023 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.531 14.500 5.297 1.00 0.00 H new ATOM 74 N LEU A 6 -3.275 11.412 4.810 1.00 0.00 N ATOM 75 CA LEU A 6 -3.764 10.942 3.557 1.00 0.00 C ATOM 76 C LEU A 6 -4.940 10.051 3.731 1.00 0.00 C ATOM 77 O LEU A 6 -5.823 10.065 2.916 1.00 0.00 O ATOM 78 CB LEU A 6 -2.654 10.281 2.701 1.00 0.00 C ATOM 79 CG LEU A 6 -2.040 8.946 3.188 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.946 7.742 2.902 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.665 8.735 2.591 1.00 0.00 C ATOM 0 H LEU A 6 -2.973 10.686 5.459 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.100 11.816 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.060 10.114 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.842 11.001 2.598 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.944 9.021 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.467 6.832 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.901 7.876 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.115 7.661 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.254 7.791 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.740 8.710 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.009 9.552 2.891 1.00 0.00 H new ATOM 93 N ASN A 7 -4.956 9.255 4.773 1.00 0.00 N ATOM 94 CA ASN A 7 -6.045 8.320 4.885 1.00 0.00 C ATOM 95 C ASN A 7 -7.333 8.995 5.249 1.00 0.00 C ATOM 96 O ASN A 7 -8.295 8.908 4.549 1.00 0.00 O ATOM 97 CB ASN A 7 -5.716 7.152 5.781 1.00 0.00 C ATOM 98 CG ASN A 7 -6.266 5.875 5.190 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.366 5.441 5.502 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.498 5.261 4.319 1.00 0.00 N ATOM 0 H ASN A 7 -4.263 9.233 5.521 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.196 7.895 3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.636 7.070 5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.138 7.314 6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.814 4.396 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.586 5.650 4.081 1.00 0.00 H new ATOM 107 N GLN A 8 -7.321 9.810 6.234 1.00 0.00 N ATOM 108 CA GLN A 8 -8.538 10.446 6.604 1.00 0.00 C ATOM 109 C GLN A 8 -8.774 11.621 5.718 1.00 0.00 C ATOM 110 O GLN A 8 -9.895 11.899 5.353 1.00 0.00 O ATOM 111 CB GLN A 8 -8.656 10.832 8.085 1.00 0.00 C ATOM 112 CG GLN A 8 -7.370 10.837 8.896 1.00 0.00 C ATOM 113 CD GLN A 8 -6.916 9.442 9.222 1.00 0.00 C ATOM 114 OE1 GLN A 8 -5.945 8.931 8.499 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -7.343 8.874 10.212 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.503 10.053 6.793 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.320 9.699 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.098 11.827 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.355 10.144 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.589 11.353 8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.524 11.395 9.819 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.098 9.294 10.755 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.946 7.979 10.498 1.00 0.00 H new ATOM 124 N GLN A 9 -7.723 12.283 5.278 1.00 0.00 N ATOM 125 CA GLN A 9 -7.960 13.397 4.439 1.00 0.00 C ATOM 126 C GLN A 9 -8.295 12.951 3.028 1.00 0.00 C ATOM 127 O GLN A 9 -9.403 13.125 2.568 1.00 0.00 O ATOM 128 CB GLN A 9 -6.800 14.399 4.491 1.00 0.00 C ATOM 129 CG GLN A 9 -6.539 14.954 5.895 1.00 0.00 C ATOM 130 CD GLN A 9 -7.556 15.988 6.408 1.00 0.00 C ATOM 131 OE1 GLN A 9 -8.771 16.002 5.902 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 -7.217 16.822 7.240 1.00 0.00 N flip ATOM 0 H GLN A 9 -6.747 12.069 5.485 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.834 13.929 4.815 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.894 13.915 4.126 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.014 15.227 3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.513 14.119 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.549 15.410 5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.273 16.803 7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.879 17.535 7.546 1.00 0.00 H new ATOM 141 N LYS A 10 -7.371 12.254 2.417 1.00 0.00 N ATOM 142 CA LYS A 10 -7.490 11.890 1.021 1.00 0.00 C ATOM 143 C LYS A 10 -8.147 10.560 0.725 1.00 0.00 C ATOM 144 O LYS A 10 -8.467 10.288 -0.416 1.00 0.00 O ATOM 145 CB LYS A 10 -6.170 12.015 0.323 1.00 0.00 C ATOM 146 CG LYS A 10 -5.730 13.454 0.311 1.00 0.00 C ATOM 147 CD LYS A 10 -4.735 13.752 -0.773 1.00 0.00 C ATOM 148 CE LYS A 10 -3.462 12.954 -0.640 1.00 0.00 C ATOM 149 NZ LYS A 10 -2.424 13.449 -1.585 1.00 0.00 N ATOM 0 H LYS A 10 -6.518 11.922 2.867 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.195 12.616 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.423 11.402 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.252 11.642 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.603 14.094 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.292 13.703 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.188 13.544 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.494 14.815 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.091 13.022 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.666 11.901 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.063 12.655 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.841 14.163 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.642 13.876 -1.049 1.00 0.00 H new ATOM 163 N ILE A 11 -8.382 9.735 1.709 1.00 0.00 N ATOM 164 CA ILE A 11 -9.087 8.541 1.427 1.00 0.00 C ATOM 165 C ILE A 11 -10.467 8.758 1.833 1.00 0.00 C ATOM 166 O ILE A 11 -11.336 8.316 1.194 1.00 0.00 O ATOM 167 CB ILE A 11 -8.491 7.273 2.113 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.214 6.209 1.110 1.00 0.00 C ATOM 169 CG2 ILE A 11 -9.414 6.651 3.191 1.00 0.00 C ATOM 170 CD1 ILE A 11 -7.576 4.998 1.742 1.00 0.00 C ATOM 0 H ILE A 11 -8.101 9.871 2.680 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.008 8.332 0.360 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.578 7.623 2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.144 5.917 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.558 6.603 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.931 5.774 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.602 7.384 3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.359 6.357 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.390 4.244 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.633 5.285 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.244 4.589 2.500 1.00 0.00 H new ATOM 182 N GLU A 12 -10.685 9.537 2.842 1.00 0.00 N ATOM 183 CA GLU A 12 -12.015 9.648 3.292 1.00 0.00 C ATOM 184 C GLU A 12 -12.755 10.624 2.344 1.00 0.00 C ATOM 185 O GLU A 12 -13.964 10.493 2.122 1.00 0.00 O ATOM 186 CB GLU A 12 -11.963 10.021 4.769 1.00 0.00 C ATOM 187 CG GLU A 12 -13.040 9.432 5.672 1.00 0.00 C ATOM 188 CD GLU A 12 -14.449 9.832 5.323 1.00 0.00 C ATOM 189 OE1 GLU A 12 -14.719 11.040 5.173 1.00 0.00 O ATOM 190 OE2 GLU A 12 -15.320 8.949 5.224 1.00 0.00 O ATOM 0 H GLU A 12 -9.986 10.082 3.347 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.595 8.726 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.991 9.719 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.014 11.107 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.968 8.345 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.836 9.733 6.700 1.00 0.00 H new ATOM 197 N GLU A 13 -11.979 11.507 1.666 1.00 0.00 N ATOM 198 CA GLU A 13 -12.543 12.460 0.700 1.00 0.00 C ATOM 199 C GLU A 13 -12.681 11.795 -0.687 1.00 0.00 C ATOM 200 O GLU A 13 -13.630 12.054 -1.417 1.00 0.00 O ATOM 201 CB GLU A 13 -11.671 13.721 0.559 1.00 0.00 C ATOM 202 CG GLU A 13 -10.482 13.563 -0.383 1.00 0.00 C ATOM 203 CD GLU A 13 -9.678 14.820 -0.578 1.00 0.00 C ATOM 204 OE1 GLU A 13 -10.076 15.680 -1.388 1.00 0.00 O ATOM 205 OE2 GLU A 13 -8.625 14.975 0.050 1.00 0.00 O ATOM 0 H GLU A 13 -10.967 11.572 1.776 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.522 12.756 1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.295 14.541 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.303 14.005 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.827 12.783 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.844 13.223 -1.353 1.00 0.00 H new ATOM 212 N LEU A 14 -11.732 10.922 -1.021 1.00 0.00 N ATOM 213 CA LEU A 14 -11.712 10.309 -2.344 1.00 0.00 C ATOM 214 C LEU A 14 -12.416 8.989 -2.342 1.00 0.00 C ATOM 215 O LEU A 14 -12.826 8.497 -3.384 1.00 0.00 O ATOM 216 CB LEU A 14 -10.297 10.214 -2.928 1.00 0.00 C ATOM 217 CG LEU A 14 -9.600 11.559 -3.191 1.00 0.00 C ATOM 218 CD1 LEU A 14 -8.195 11.360 -3.723 1.00 0.00 C ATOM 219 CD2 LEU A 14 -10.415 12.414 -4.150 1.00 0.00 C ATOM 0 H LEU A 14 -10.977 10.627 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.265 10.971 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.679 9.631 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.346 9.660 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.527 12.082 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.731 12.331 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.606 10.802 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.236 10.803 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.901 13.360 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.531 11.888 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.398 12.607 -3.720 1.00 0.00 H new ATOM 231 N SER A 15 -12.429 8.345 -1.206 1.00 0.00 N ATOM 232 CA SER A 15 -13.343 7.269 -1.026 1.00 0.00 C ATOM 233 C SER A 15 -14.730 7.884 -1.054 1.00 0.00 C ATOM 234 O SER A 15 -15.260 8.006 -2.131 1.00 0.00 O ATOM 235 CB SER A 15 -13.045 6.430 0.217 1.00 0.00 C ATOM 236 OG SER A 15 -11.892 5.643 0.010 1.00 0.00 O ATOM 0 H SER A 15 -11.826 8.547 -0.409 1.00 0.00 H new ATOM 0 HA SER A 15 -13.251 6.535 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.899 7.082 1.078 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.896 5.788 0.444 1.00 0.00 H new ATOM 0 HG SER A 15 -11.483 5.882 -0.848 1.00 0.00 H new ATOM 242 N ALA A 16 -15.306 8.313 0.077 1.00 0.00 N ATOM 243 CA ALA A 16 -16.579 9.059 0.035 1.00 0.00 C ATOM 244 C ALA A 16 -17.636 8.418 -0.890 1.00 0.00 C ATOM 245 O ALA A 16 -17.873 7.231 -0.825 1.00 0.00 O ATOM 246 CB ALA A 16 -16.269 10.475 -0.410 1.00 0.00 C ATOM 0 H ALA A 16 -14.926 8.164 1.012 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.020 9.044 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.192 11.054 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.582 10.937 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.810 10.453 -1.398 1.00 0.00 H new ATOM 252 N GLU A 17 -18.219 9.213 -1.776 1.00 0.00 N ATOM 253 CA GLU A 17 -19.217 8.765 -2.752 1.00 0.00 C ATOM 254 C GLU A 17 -18.584 7.971 -3.890 1.00 0.00 C ATOM 255 O GLU A 17 -19.261 7.597 -4.858 1.00 0.00 O ATOM 256 CB GLU A 17 -19.878 9.979 -3.380 1.00 0.00 C ATOM 257 CG GLU A 17 -20.360 11.031 -2.391 1.00 0.00 C ATOM 258 CD GLU A 17 -21.261 10.473 -1.313 1.00 0.00 C ATOM 259 OE1 GLU A 17 -20.748 10.032 -0.269 1.00 0.00 O ATOM 260 OE2 GLU A 17 -22.495 10.479 -1.475 1.00 0.00 O ATOM 0 H GLU A 17 -18.011 10.209 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.929 8.135 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.171 10.444 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.728 9.645 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.496 11.503 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.894 11.811 -2.933 1.00 0.00 H new ATOM 267 N ILE A 18 -17.303 7.746 -3.804 1.00 0.00 N ATOM 268 CA ILE A 18 -16.576 7.027 -4.802 1.00 0.00 C ATOM 269 C ILE A 18 -16.000 5.754 -4.231 1.00 0.00 C ATOM 270 O ILE A 18 -16.653 4.715 -4.366 1.00 0.00 O ATOM 271 CB ILE A 18 -15.637 7.908 -5.708 1.00 0.00 C ATOM 272 CG1 ILE A 18 -14.429 7.137 -6.264 1.00 0.00 C ATOM 273 CG2 ILE A 18 -15.249 9.231 -5.058 1.00 0.00 C ATOM 274 CD1 ILE A 18 -13.544 7.937 -7.199 1.00 0.00 C ATOM 0 H ILE A 18 -16.729 8.064 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 18 -17.285 6.695 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 18 -16.240 8.170 -6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.825 6.783 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.790 6.255 -6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.602 9.792 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.148 9.812 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.720 9.037 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.718 7.313 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -14.128 8.269 -8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -13.148 8.805 -6.672 1.00 0.00 H new ATOM 286 N GLY A 19 -14.821 5.707 -3.617 1.00 0.00 N ATOM 287 CA GLY A 19 -14.277 4.545 -2.981 1.00 0.00 C ATOM 288 C GLY A 19 -15.042 3.922 -1.847 1.00 0.00 C ATOM 289 O GLY A 19 -14.587 2.922 -1.354 1.00 0.00 O ATOM 0 H GLY A 19 -14.206 6.518 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.140 3.782 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.286 4.804 -2.609 1.00 0.00 H new ATOM 293 N SER A 20 -16.183 4.434 -1.422 1.00 0.00 N ATOM 294 CA SER A 20 -16.931 3.698 -0.414 1.00 0.00 C ATOM 295 C SER A 20 -17.496 2.429 -1.078 1.00 0.00 C ATOM 296 O SER A 20 -17.809 1.438 -0.419 1.00 0.00 O ATOM 297 CB SER A 20 -18.006 4.590 0.213 1.00 0.00 C ATOM 298 OG SER A 20 -18.676 3.988 1.320 1.00 0.00 O ATOM 0 H SER A 20 -16.598 5.311 -1.738 1.00 0.00 H new ATOM 0 HA SER A 20 -16.289 3.393 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.546 5.522 0.541 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.741 4.848 -0.549 1.00 0.00 H new ATOM 0 HG SER A 20 -19.347 4.609 1.674 1.00 0.00 H new ATOM 304 N ASP A 21 -17.586 2.482 -2.405 1.00 0.00 N ATOM 305 CA ASP A 21 -17.874 1.295 -3.195 1.00 0.00 C ATOM 306 C ASP A 21 -16.668 0.760 -3.932 1.00 0.00 C ATOM 307 O ASP A 21 -16.601 -0.436 -4.183 1.00 0.00 O ATOM 308 CB ASP A 21 -19.019 1.514 -4.189 1.00 0.00 C ATOM 309 CG ASP A 21 -20.385 1.415 -3.560 1.00 0.00 C ATOM 310 OD1 ASP A 21 -20.875 2.412 -3.008 1.00 0.00 O ATOM 311 OD2 ASP A 21 -21.007 0.329 -3.650 1.00 0.00 O ATOM 0 H ASP A 21 -17.463 3.334 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 21 -18.181 0.548 -2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.909 2.497 -4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.941 0.778 -4.989 1.00 0.00 H new ATOM 316 N ASN A 22 -15.674 1.597 -4.221 1.00 0.00 N ATOM 317 CA ASN A 22 -14.558 1.152 -5.071 1.00 0.00 C ATOM 318 C ASN A 22 -13.397 0.565 -4.244 1.00 0.00 C ATOM 319 O ASN A 22 -12.974 -0.561 -4.494 1.00 0.00 O ATOM 320 CB ASN A 22 -14.070 2.323 -5.965 1.00 0.00 C ATOM 321 CG ASN A 22 -12.976 1.972 -6.984 1.00 0.00 C ATOM 322 OD1 ASN A 22 -12.175 1.068 -6.803 1.00 0.00 O ATOM 323 ND2 ASN A 22 -12.918 2.729 -8.052 1.00 0.00 N ATOM 0 H ASN A 22 -15.612 2.561 -3.893 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.925 0.349 -5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.927 2.726 -6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.698 3.118 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.194 2.569 -8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.597 3.479 -8.183 1.00 0.00 H new ATOM 330 N VAL A 23 -12.911 1.297 -3.241 1.00 0.00 N ATOM 331 CA VAL A 23 -11.716 0.850 -2.509 1.00 0.00 C ATOM 332 C VAL A 23 -11.861 -0.505 -1.765 1.00 0.00 C ATOM 333 O VAL A 23 -10.912 -1.286 -1.797 1.00 0.00 O ATOM 334 CB VAL A 23 -11.001 1.951 -1.655 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.765 2.349 -0.407 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.570 1.559 -1.309 1.00 0.00 C ATOM 0 H VAL A 23 -13.310 2.179 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.022 0.643 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.974 2.834 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.208 3.115 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.742 2.742 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.895 1.477 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.109 2.349 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.575 0.632 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.000 1.415 -2.227 1.00 0.00 H new ATOM 346 N PRO A 24 -13.027 -0.840 -1.104 1.00 0.00 N ATOM 347 CA PRO A 24 -13.227 -2.175 -0.505 1.00 0.00 C ATOM 348 C PRO A 24 -13.026 -3.254 -1.556 1.00 0.00 C ATOM 349 O PRO A 24 -12.469 -4.320 -1.288 1.00 0.00 O ATOM 350 CB PRO A 24 -14.705 -2.165 -0.061 1.00 0.00 C ATOM 351 CG PRO A 24 -15.306 -0.966 -0.697 1.00 0.00 C ATOM 352 CD PRO A 24 -14.192 0.015 -0.832 1.00 0.00 C ATOM 0 HA PRO A 24 -12.532 -2.377 0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.216 -3.074 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.788 -2.115 1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.733 -1.210 -1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.113 -0.561 -0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.372 0.721 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.058 0.601 0.077 1.00 0.00 H new ATOM 360 N VAL A 25 -13.543 -2.956 -2.740 1.00 0.00 N ATOM 361 CA VAL A 25 -13.344 -3.834 -3.859 1.00 0.00 C ATOM 362 C VAL A 25 -11.854 -3.960 -4.178 1.00 0.00 C ATOM 363 O VAL A 25 -11.242 -4.954 -3.829 1.00 0.00 O ATOM 364 CB VAL A 25 -14.138 -3.407 -5.127 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.858 -4.354 -6.293 1.00 0.00 C ATOM 366 CG2 VAL A 25 -15.629 -3.386 -4.833 1.00 0.00 C ATOM 0 H VAL A 25 -14.095 -2.121 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.738 -4.806 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.811 -2.405 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.425 -4.033 -7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.793 -4.339 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.155 -5.366 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.172 -3.086 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.954 -4.381 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.832 -2.677 -4.031 1.00 0.00 H new ATOM 376 N LEU A 26 -11.266 -2.895 -4.693 1.00 0.00 N ATOM 377 CA LEU A 26 -9.928 -2.883 -5.284 1.00 0.00 C ATOM 378 C LEU A 26 -8.844 -3.332 -4.267 1.00 0.00 C ATOM 379 O LEU A 26 -8.145 -4.317 -4.479 1.00 0.00 O ATOM 380 CB LEU A 26 -9.664 -1.429 -5.798 1.00 0.00 C ATOM 381 CG LEU A 26 -8.626 -1.198 -6.924 1.00 0.00 C ATOM 382 CD1 LEU A 26 -7.259 -1.689 -6.544 1.00 0.00 C ATOM 383 CD2 LEU A 26 -9.097 -1.838 -8.218 1.00 0.00 C ATOM 0 H LEU A 26 -11.717 -1.981 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.874 -3.595 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.616 -1.026 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.356 -0.830 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.542 -0.122 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.565 -1.506 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.917 -1.160 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.301 -2.758 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.356 -1.667 -8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.225 -2.910 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.048 -1.397 -8.517 1.00 0.00 H new ATOM 395 N LEU A 27 -8.720 -2.534 -3.236 1.00 0.00 N ATOM 396 CA LEU A 27 -7.723 -2.762 -2.197 1.00 0.00 C ATOM 397 C LEU A 27 -7.735 -4.209 -1.698 1.00 0.00 C ATOM 398 O LEU A 27 -6.719 -4.886 -1.719 1.00 0.00 O ATOM 399 CB LEU A 27 -7.998 -1.824 -1.028 1.00 0.00 C ATOM 400 CG LEU A 27 -7.294 -2.138 0.286 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.791 -1.921 0.180 1.00 0.00 C ATOM 402 CD2 LEU A 27 -7.888 -1.329 1.424 1.00 0.00 C ATOM 0 H LEU A 27 -9.300 -1.709 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.740 -2.567 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.719 -0.814 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.072 -1.816 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.454 -3.194 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.321 -2.155 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.383 -2.572 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.591 -0.881 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.369 -1.570 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.776 -0.266 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.946 -1.569 1.527 1.00 0.00 H new ATOM 414 N ASP A 28 -8.892 -4.697 -1.313 1.00 0.00 N ATOM 415 CA ASP A 28 -8.978 -6.036 -0.745 1.00 0.00 C ATOM 416 C ASP A 28 -8.701 -7.126 -1.783 1.00 0.00 C ATOM 417 O ASP A 28 -8.182 -8.191 -1.443 1.00 0.00 O ATOM 418 CB ASP A 28 -10.319 -6.240 -0.038 1.00 0.00 C ATOM 419 CG ASP A 28 -10.518 -7.633 0.524 1.00 0.00 C ATOM 420 OD1 ASP A 28 -9.858 -7.994 1.521 1.00 0.00 O ATOM 421 OD2 ASP A 28 -11.377 -8.377 0.010 1.00 0.00 O ATOM 0 H ASP A 28 -9.780 -4.200 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.191 -6.127 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.403 -5.517 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.124 -6.025 -0.741 1.00 0.00 H new ATOM 426 N ILE A 29 -8.955 -6.833 -3.054 1.00 0.00 N ATOM 427 CA ILE A 29 -8.770 -7.828 -4.088 1.00 0.00 C ATOM 428 C ILE A 29 -7.333 -7.849 -4.609 1.00 0.00 C ATOM 429 O ILE A 29 -6.731 -8.914 -4.710 1.00 0.00 O ATOM 430 CB ILE A 29 -9.850 -7.758 -5.221 1.00 0.00 C ATOM 431 CG1 ILE A 29 -9.872 -6.423 -5.959 1.00 0.00 C ATOM 432 CG2 ILE A 29 -11.224 -8.006 -4.651 1.00 0.00 C ATOM 433 CD1 ILE A 29 -9.105 -6.389 -7.242 1.00 0.00 C ATOM 0 H ILE A 29 -9.285 -5.926 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.936 -8.797 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.576 -8.532 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.909 -6.159 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.474 -5.654 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.964 -7.954 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.254 -8.994 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.448 -7.249 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.184 -5.397 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.057 -6.616 -7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.514 -7.129 -7.930 1.00 0.00 H new ATOM 445 N PHE A 30 -6.761 -6.675 -4.868 1.00 0.00 N ATOM 446 CA PHE A 30 -5.383 -6.557 -5.335 1.00 0.00 C ATOM 447 C PHE A 30 -4.400 -6.975 -4.264 1.00 0.00 C ATOM 448 O PHE A 30 -3.328 -7.436 -4.552 1.00 0.00 O ATOM 449 CB PHE A 30 -5.099 -5.149 -5.870 1.00 0.00 C ATOM 450 CG PHE A 30 -5.426 -4.944 -7.348 1.00 0.00 C ATOM 451 CD1 PHE A 30 -5.988 -5.955 -8.128 1.00 0.00 C ATOM 452 CD2 PHE A 30 -5.137 -3.738 -7.965 1.00 0.00 C ATOM 453 CE1 PHE A 30 -6.255 -5.757 -9.470 1.00 0.00 C ATOM 454 CE2 PHE A 30 -5.397 -3.538 -9.307 1.00 0.00 C ATOM 455 CZ PHE A 30 -5.961 -4.546 -10.059 1.00 0.00 C ATOM 0 H PHE A 30 -7.239 -5.781 -4.760 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.249 -7.246 -6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.672 -4.431 -5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.045 -4.922 -5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.218 -6.908 -7.676 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.700 -2.938 -7.386 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.694 -6.551 -10.056 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.158 -2.591 -9.767 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.172 -4.388 -11.106 1.00 0.00 H new ATOM 465 N LEU A 31 -4.865 -6.963 -3.050 1.00 0.00 N ATOM 466 CA LEU A 31 -4.049 -7.391 -1.987 1.00 0.00 C ATOM 467 C LEU A 31 -4.320 -8.827 -1.660 1.00 0.00 C ATOM 468 O LEU A 31 -3.410 -9.534 -1.314 1.00 0.00 O ATOM 469 CB LEU A 31 -4.117 -6.423 -0.788 1.00 0.00 C ATOM 470 CG LEU A 31 -3.326 -5.107 -0.894 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.836 -5.383 -0.991 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.765 -4.223 -2.051 1.00 0.00 C ATOM 0 H LEU A 31 -5.803 -6.660 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.005 -7.356 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.164 -6.174 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.767 -6.956 0.096 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.542 -4.556 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.295 -4.439 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.507 -5.921 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.635 -5.987 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.164 -3.314 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.630 -4.759 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.816 -3.961 -1.930 1.00 0.00 H new ATOM 484 N GLY A 32 -5.559 -9.280 -1.821 1.00 0.00 N ATOM 485 CA GLY A 32 -5.917 -10.662 -1.594 1.00 0.00 C ATOM 486 C GLY A 32 -5.294 -11.612 -2.615 1.00 0.00 C ATOM 487 O GLY A 32 -4.874 -12.703 -2.259 1.00 0.00 O ATOM 0 H GLY A 32 -6.340 -8.692 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.601 -10.954 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.002 -10.761 -1.627 1.00 0.00 H new ATOM 491 N GLU A 33 -5.222 -11.212 -3.882 1.00 0.00 N ATOM 492 CA GLU A 33 -4.581 -12.063 -4.903 1.00 0.00 C ATOM 493 C GLU A 33 -3.058 -11.993 -4.782 1.00 0.00 C ATOM 494 O GLU A 33 -2.333 -12.929 -5.114 1.00 0.00 O ATOM 495 CB GLU A 33 -5.058 -11.724 -6.308 1.00 0.00 C ATOM 496 CG GLU A 33 -4.833 -10.292 -6.733 1.00 0.00 C ATOM 497 CD GLU A 33 -5.398 -10.042 -8.098 1.00 0.00 C ATOM 498 OE1 GLU A 33 -6.637 -9.919 -8.224 1.00 0.00 O ATOM 499 OE2 GLU A 33 -4.625 -10.027 -9.069 1.00 0.00 O ATOM 0 H GLU A 33 -5.588 -10.326 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.883 -13.094 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.551 -12.380 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.123 -11.944 -6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.298 -9.618 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.765 -10.072 -6.731 1.00 0.00 H new ATOM 506 N MET A 34 -2.612 -10.861 -4.306 1.00 0.00 N ATOM 507 CA MET A 34 -1.204 -10.745 -3.964 1.00 0.00 C ATOM 508 C MET A 34 -0.877 -11.653 -2.812 1.00 0.00 C ATOM 509 O MET A 34 0.119 -12.383 -2.820 1.00 0.00 O ATOM 510 CB MET A 34 -0.912 -9.367 -3.546 1.00 0.00 C ATOM 511 CG MET A 34 -0.679 -8.466 -4.732 1.00 0.00 C ATOM 512 SD MET A 34 0.416 -9.243 -5.933 1.00 0.00 S ATOM 513 CE MET A 34 0.241 -8.125 -7.307 1.00 0.00 C ATOM 0 H MET A 34 -3.175 -10.026 -4.147 1.00 0.00 H new ATOM 0 HA MET A 34 -0.612 -11.017 -4.838 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.742 -8.982 -2.953 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.031 -9.360 -2.904 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.632 -8.229 -5.205 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.246 -7.524 -4.397 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.138 -8.165 -7.925 1.00 0.00 H new ATOM 0 HE2 MET A 34 -0.624 -8.414 -7.903 1.00 0.00 H new ATOM 0 HE3 MET A 34 0.102 -7.110 -6.935 1.00 0.00 H new ATOM 523 N ASP A 35 -1.773 -11.650 -1.851 1.00 0.00 N ATOM 524 CA ASP A 35 -1.750 -12.435 -0.645 1.00 0.00 C ATOM 525 C ASP A 35 -1.798 -13.891 -1.017 1.00 0.00 C ATOM 526 O ASP A 35 -1.123 -14.735 -0.411 1.00 0.00 O ATOM 527 CB ASP A 35 -3.009 -12.064 0.140 1.00 0.00 C ATOM 528 CG ASP A 35 -3.210 -12.856 1.425 1.00 0.00 C ATOM 529 OD1 ASP A 35 -3.854 -13.923 1.389 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.745 -12.428 2.495 1.00 0.00 O ATOM 0 H ASP A 35 -2.598 -11.052 -1.900 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.852 -12.249 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.969 -11.003 0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.878 -12.211 -0.502 1.00 0.00 H new ATOM 535 N SER A 36 -2.568 -14.156 -2.067 1.00 0.00 N ATOM 536 CA SER A 36 -2.737 -15.487 -2.571 1.00 0.00 C ATOM 537 C SER A 36 -1.428 -16.054 -2.908 1.00 0.00 C ATOM 538 O SER A 36 -0.998 -17.113 -2.423 1.00 0.00 O ATOM 539 CB SER A 36 -3.459 -15.514 -3.882 1.00 0.00 C ATOM 540 OG SER A 36 -4.758 -14.945 -3.817 1.00 0.00 O ATOM 0 H SER A 36 -3.086 -13.445 -2.583 1.00 0.00 H new ATOM 0 HA SER A 36 -3.281 -16.026 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.870 -14.976 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.538 -16.546 -4.225 1.00 0.00 H new ATOM 0 HG SER A 36 -4.756 -14.197 -3.184 1.00 0.00 H new ATOM 546 N TYR A 37 -0.789 -15.277 -3.725 1.00 0.00 N ATOM 547 CA TYR A 37 0.398 -15.648 -4.334 1.00 0.00 C ATOM 548 C TYR A 37 1.465 -15.854 -3.410 1.00 0.00 C ATOM 549 O TYR A 37 2.161 -16.784 -3.537 1.00 0.00 O ATOM 550 CB TYR A 37 0.751 -14.762 -5.483 1.00 0.00 C ATOM 551 CG TYR A 37 0.183 -15.410 -6.651 1.00 0.00 C ATOM 552 CD1 TYR A 37 -1.147 -15.273 -6.970 1.00 0.00 C ATOM 553 CD2 TYR A 37 0.964 -16.275 -7.352 1.00 0.00 C ATOM 554 CE1 TYR A 37 -1.692 -15.996 -7.996 1.00 0.00 C ATOM 555 CE2 TYR A 37 0.461 -16.995 -8.384 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.881 -16.865 -8.711 1.00 0.00 C ATOM 557 OH TYR A 37 -1.400 -17.606 -9.747 1.00 0.00 O ATOM 0 H TYR A 37 -1.110 -14.342 -3.978 1.00 0.00 H new ATOM 0 HA TYR A 37 0.223 -16.631 -4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.341 -13.761 -5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.831 -14.653 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.766 -14.590 -6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.003 -16.390 -7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.738 -15.892 -8.245 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.098 -17.663 -8.946 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.693 -18.161 -10.139 1.00 0.00 H new ATOM 567 N ILE A 38 1.504 -15.087 -2.411 1.00 0.00 N ATOM 568 CA ILE A 38 2.555 -15.164 -1.466 1.00 0.00 C ATOM 569 C ILE A 38 2.445 -16.376 -0.607 1.00 0.00 C ATOM 570 O ILE A 38 3.456 -16.949 -0.247 1.00 0.00 O ATOM 571 CB ILE A 38 2.714 -13.833 -0.752 1.00 0.00 C ATOM 572 CG1 ILE A 38 3.605 -12.920 -1.607 1.00 0.00 C ATOM 573 CG2 ILE A 38 3.265 -13.982 0.656 1.00 0.00 C ATOM 574 CD1 ILE A 38 3.694 -13.232 -3.122 1.00 0.00 C ATOM 0 H ILE A 38 0.804 -14.373 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 38 3.507 -15.321 -1.973 1.00 0.00 H new ATOM 0 HB ILE A 38 1.727 -13.386 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.247 -11.897 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.614 -12.952 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.357 -12.998 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.588 -14.598 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.245 -14.456 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.355 -12.511 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.089 -14.238 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.701 -13.166 -3.566 1.00 0.00 H new ATOM 586 N GLY A 39 1.229 -16.822 -0.395 1.00 0.00 N ATOM 587 CA GLY A 39 1.025 -18.070 0.279 1.00 0.00 C ATOM 588 C GLY A 39 1.718 -19.204 -0.486 1.00 0.00 C ATOM 589 O GLY A 39 2.496 -19.965 0.086 1.00 0.00 O ATOM 0 H GLY A 39 0.376 -16.340 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.419 -18.012 1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.042 -18.277 0.362 1.00 0.00 H new ATOM 593 N THR A 40 1.519 -19.215 -1.798 1.00 0.00 N ATOM 594 CA THR A 40 2.026 -20.233 -2.663 1.00 0.00 C ATOM 595 C THR A 40 3.494 -19.951 -2.988 1.00 0.00 C ATOM 596 O THR A 40 4.357 -20.769 -2.742 1.00 0.00 O ATOM 597 CB THR A 40 1.182 -20.259 -3.946 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.210 -20.268 -3.575 1.00 0.00 O ATOM 599 CG2 THR A 40 1.484 -21.501 -4.751 1.00 0.00 C ATOM 0 H THR A 40 0.987 -18.494 -2.285 1.00 0.00 H new ATOM 0 HA THR A 40 1.965 -21.205 -2.174 1.00 0.00 H new ATOM 0 HB THR A 40 1.416 -19.383 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.764 -20.283 -4.383 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.878 -21.504 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.540 -21.512 -5.021 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.253 -22.385 -4.157 1.00 0.00 H new ATOM 607 N LEU A 41 3.777 -18.794 -3.544 1.00 0.00 N ATOM 608 CA LEU A 41 5.082 -18.291 -3.865 1.00 0.00 C ATOM 609 C LEU A 41 6.115 -18.424 -2.743 1.00 0.00 C ATOM 610 O LEU A 41 7.220 -18.761 -3.030 1.00 0.00 O ATOM 611 CB LEU A 41 4.937 -16.834 -4.319 1.00 0.00 C ATOM 612 CG LEU A 41 4.406 -16.613 -5.719 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.455 -15.155 -6.139 1.00 0.00 C ATOM 614 CD2 LEU A 41 4.980 -17.561 -6.763 1.00 0.00 C ATOM 0 H LEU A 41 3.041 -18.136 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 41 5.481 -18.913 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.276 -16.323 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.913 -16.355 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 41 3.350 -16.879 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.062 -15.054 -7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.851 -14.559 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.486 -14.803 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.547 -17.334 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.062 -17.439 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.742 -18.589 -6.491 1.00 0.00 H new ATOM 626 N THR A 42 5.760 -18.167 -1.494 1.00 0.00 N ATOM 627 CA THR A 42 6.733 -18.309 -0.385 1.00 0.00 C ATOM 628 C THR A 42 6.937 -19.774 -0.019 1.00 0.00 C ATOM 629 O THR A 42 8.034 -20.208 0.347 1.00 0.00 O ATOM 630 CB THR A 42 6.363 -17.485 0.893 1.00 0.00 C ATOM 631 OG1 THR A 42 7.526 -17.313 1.712 1.00 0.00 O ATOM 632 CG2 THR A 42 5.300 -18.165 1.758 1.00 0.00 C ATOM 0 H THR A 42 4.828 -17.864 -1.210 1.00 0.00 H new ATOM 0 HA THR A 42 7.666 -17.892 -0.764 1.00 0.00 H new ATOM 0 HB THR A 42 5.968 -16.534 0.535 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.436 -16.492 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.087 -17.544 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.388 -18.299 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.666 -19.138 2.087 1.00 0.00 H new ATOM 640 N GLU A 43 5.882 -20.533 -0.140 1.00 0.00 N ATOM 641 CA GLU A 43 5.957 -21.961 0.198 1.00 0.00 C ATOM 642 C GLU A 43 6.665 -22.733 -0.908 1.00 0.00 C ATOM 643 O GLU A 43 7.121 -23.857 -0.695 1.00 0.00 O ATOM 644 CB GLU A 43 4.588 -22.615 0.520 1.00 0.00 C ATOM 645 CG GLU A 43 3.676 -22.839 -0.675 1.00 0.00 C ATOM 646 CD GLU A 43 2.418 -23.606 -0.337 1.00 0.00 C ATOM 647 OE1 GLU A 43 1.399 -22.997 0.051 1.00 0.00 O ATOM 648 OE2 GLU A 43 2.404 -24.840 -0.468 1.00 0.00 O ATOM 0 H GLU A 43 4.969 -20.212 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 43 6.535 -22.014 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.768 -23.575 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.065 -21.987 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.401 -21.873 -1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.226 -23.379 -1.446 1.00 0.00 H new ATOM 655 N LEU A 44 6.779 -22.123 -2.081 1.00 0.00 N ATOM 656 CA LEU A 44 7.364 -22.792 -3.197 1.00 0.00 C ATOM 657 C LEU A 44 8.733 -22.229 -3.495 1.00 0.00 C ATOM 658 O LEU A 44 9.587 -22.904 -4.062 1.00 0.00 O ATOM 659 CB LEU A 44 6.418 -22.645 -4.407 1.00 0.00 C ATOM 660 CG LEU A 44 5.161 -23.519 -4.411 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.431 -23.381 -5.734 1.00 0.00 C ATOM 662 CD2 LEU A 44 5.501 -24.974 -4.132 1.00 0.00 C ATOM 0 H LEU A 44 6.470 -21.169 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 44 7.496 -23.850 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.107 -21.602 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.986 -22.863 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 44 4.504 -23.175 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.539 -24.007 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.142 -22.341 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.087 -23.696 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.588 -25.569 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.182 -25.342 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.977 -25.055 -3.155 1.00 0.00 H new ATOM 674 N GLN A 45 8.934 -20.996 -3.070 1.00 0.00 N ATOM 675 CA GLN A 45 10.116 -20.254 -3.434 1.00 0.00 C ATOM 676 C GLN A 45 10.206 -18.949 -2.682 1.00 0.00 C ATOM 677 O GLN A 45 9.517 -18.732 -1.699 1.00 0.00 O ATOM 678 CB GLN A 45 10.119 -20.059 -4.958 1.00 0.00 C ATOM 679 CG GLN A 45 8.826 -19.530 -5.540 1.00 0.00 C ATOM 680 CD GLN A 45 8.682 -19.747 -7.047 1.00 0.00 C ATOM 681 OE1 GLN A 45 8.018 -18.966 -7.724 1.00 0.00 O ATOM 682 NE2 GLN A 45 9.269 -20.790 -7.583 1.00 0.00 N ATOM 0 H GLN A 45 8.286 -20.488 -2.468 1.00 0.00 H new ATOM 0 HA GLN A 45 11.007 -20.815 -3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.925 -19.373 -5.219 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.348 -21.014 -5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.989 -20.011 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.756 -18.463 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.815 -21.424 -6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.180 -20.967 -8.583 1.00 0.00 H new ATOM 691 N GLY A 46 11.101 -18.115 -3.111 1.00 0.00 N ATOM 692 CA GLY A 46 11.255 -16.829 -2.498 1.00 0.00 C ATOM 693 C GLY A 46 10.317 -15.820 -3.081 1.00 0.00 C ATOM 694 O GLY A 46 10.334 -14.717 -2.676 1.00 0.00 O ATOM 0 H GLY A 46 11.739 -18.300 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.077 -16.914 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.282 -16.486 -2.625 1.00 0.00 H new ATOM 698 N SER A 47 9.491 -16.260 -4.017 1.00 0.00 N ATOM 699 CA SER A 47 8.627 -15.431 -4.801 1.00 0.00 C ATOM 700 C SER A 47 7.765 -14.396 -4.084 1.00 0.00 C ATOM 701 O SER A 47 7.281 -13.489 -4.731 1.00 0.00 O ATOM 702 CB SER A 47 7.938 -16.258 -5.827 1.00 0.00 C ATOM 703 OG SER A 47 8.881 -16.669 -6.805 1.00 0.00 O ATOM 0 H SER A 47 9.411 -17.249 -4.251 1.00 0.00 H new ATOM 0 HA SER A 47 9.284 -14.724 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.477 -17.129 -5.360 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.137 -15.686 -6.295 1.00 0.00 H new ATOM 0 HG SER A 47 8.456 -17.297 -7.426 1.00 0.00 H new ATOM 709 N GLU A 48 7.458 -14.550 -2.805 1.00 0.00 N ATOM 710 CA GLU A 48 6.953 -13.396 -2.010 1.00 0.00 C ATOM 711 C GLU A 48 7.860 -12.145 -2.209 1.00 0.00 C ATOM 712 O GLU A 48 7.470 -11.031 -1.945 1.00 0.00 O ATOM 713 CB GLU A 48 6.950 -13.718 -0.538 1.00 0.00 C ATOM 714 CG GLU A 48 8.232 -14.367 -0.127 1.00 0.00 C ATOM 715 CD GLU A 48 8.489 -14.311 1.350 1.00 0.00 C ATOM 716 OE1 GLU A 48 7.625 -14.753 2.138 1.00 0.00 O ATOM 717 OE2 GLU A 48 9.577 -13.868 1.745 1.00 0.00 O ATOM 0 H GLU A 48 7.539 -15.427 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 48 5.940 -13.192 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.801 -12.804 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.114 -14.379 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.220 -15.409 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.058 -13.884 -0.649 1.00 0.00 H new ATOM 724 N GLN A 49 9.088 -12.391 -2.595 1.00 0.00 N ATOM 725 CA GLN A 49 10.048 -11.411 -3.034 1.00 0.00 C ATOM 726 C GLN A 49 9.431 -10.557 -4.141 1.00 0.00 C ATOM 727 O GLN A 49 9.402 -9.326 -4.079 1.00 0.00 O ATOM 728 CB GLN A 49 11.264 -12.162 -3.602 1.00 0.00 C ATOM 729 CG GLN A 49 12.138 -11.338 -4.514 1.00 0.00 C ATOM 730 CD GLN A 49 13.079 -12.174 -5.336 1.00 0.00 C ATOM 731 OE1 GLN A 49 13.539 -13.234 -4.918 1.00 0.00 O ATOM 732 NE2 GLN A 49 13.318 -11.736 -6.547 1.00 0.00 N ATOM 0 H GLN A 49 9.465 -13.338 -2.612 1.00 0.00 H new ATOM 0 HA GLN A 49 10.342 -10.769 -2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.869 -12.528 -2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.912 -13.036 -4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.507 -10.750 -5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.715 -10.632 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.918 -10.851 -6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.904 -12.280 -7.180 1.00 0.00 H new ATOM 741 N LEU A 50 8.949 -11.250 -5.169 1.00 0.00 N ATOM 742 CA LEU A 50 8.309 -10.708 -6.315 1.00 0.00 C ATOM 743 C LEU A 50 7.210 -9.816 -5.880 1.00 0.00 C ATOM 744 O LEU A 50 7.013 -8.771 -6.496 1.00 0.00 O ATOM 745 CB LEU A 50 7.685 -11.832 -7.109 1.00 0.00 C ATOM 746 CG LEU A 50 7.207 -11.516 -8.516 1.00 0.00 C ATOM 747 CD1 LEU A 50 8.362 -11.479 -9.502 1.00 0.00 C ATOM 748 CD2 LEU A 50 6.139 -12.502 -8.926 1.00 0.00 C ATOM 0 H LEU A 50 9.010 -12.268 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 50 9.041 -10.165 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.412 -12.641 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.835 -12.212 -6.543 1.00 0.00 H new ATOM 0 HG LEU A 50 6.768 -10.518 -8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.983 -11.250 -10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.074 -10.711 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.859 -12.449 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.799 -12.271 -9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.548 -13.512 -8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.298 -12.435 -8.236 1.00 0.00 H new ATOM 760 N LEU A 51 6.556 -10.199 -4.754 1.00 0.00 N ATOM 761 CA LEU A 51 5.365 -9.522 -4.256 1.00 0.00 C ATOM 762 C LEU A 51 5.530 -8.042 -4.211 1.00 0.00 C ATOM 763 O LEU A 51 4.602 -7.310 -4.435 1.00 0.00 O ATOM 764 CB LEU A 51 4.978 -9.924 -2.860 1.00 0.00 C ATOM 765 CG LEU A 51 3.623 -9.397 -2.464 1.00 0.00 C ATOM 766 CD1 LEU A 51 2.558 -10.082 -3.282 1.00 0.00 C ATOM 767 CD2 LEU A 51 3.376 -9.446 -0.960 1.00 0.00 C ATOM 0 H LEU A 51 6.851 -10.987 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 51 4.594 -9.823 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.978 -11.011 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.727 -9.556 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 51 3.584 -8.332 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.578 -9.701 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.729 -9.885 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.596 -11.156 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.383 -9.053 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.442 -10.477 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.126 -8.843 -0.448 1.00 0.00 H new ATOM 779 N TYR A 52 6.728 -7.618 -4.075 1.00 0.00 N ATOM 780 CA TYR A 52 7.084 -6.284 -3.876 1.00 0.00 C ATOM 781 C TYR A 52 6.943 -5.488 -5.144 1.00 0.00 C ATOM 782 O TYR A 52 6.127 -4.590 -5.225 1.00 0.00 O ATOM 783 CB TYR A 52 8.516 -6.336 -3.503 1.00 0.00 C ATOM 784 CG TYR A 52 9.111 -5.004 -3.181 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.672 -4.296 -2.090 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.117 -4.472 -3.963 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.217 -3.088 -1.759 1.00 0.00 C ATOM 788 CE2 TYR A 52 10.680 -3.242 -3.646 1.00 0.00 C ATOM 789 CZ TYR A 52 10.218 -2.555 -2.533 1.00 0.00 C ATOM 790 OH TYR A 52 10.761 -1.347 -2.179 1.00 0.00 O ATOM 0 H TYR A 52 7.533 -8.243 -4.103 1.00 0.00 H new ATOM 0 HA TYR A 52 6.451 -5.811 -3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.632 -6.992 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.078 -6.784 -4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.879 -4.703 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.469 -5.016 -4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.861 -2.553 -0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.467 -2.826 -4.258 1.00 0.00 H new ATOM 0 HH TYR A 52 10.578 -1.171 -1.232 1.00 0.00 H new ATOM 800 N LEU A 53 7.674 -5.933 -6.153 1.00 0.00 N ATOM 801 CA LEU A 53 7.689 -5.131 -7.368 1.00 0.00 C ATOM 802 C LEU A 53 6.347 -5.170 -8.009 1.00 0.00 C ATOM 803 O LEU A 53 5.870 -4.173 -8.527 1.00 0.00 O ATOM 804 CB LEU A 53 8.803 -5.489 -8.367 1.00 0.00 C ATOM 805 CG LEU A 53 8.747 -6.856 -9.053 1.00 0.00 C ATOM 806 CD1 LEU A 53 9.490 -6.793 -10.367 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.395 -7.908 -8.183 1.00 0.00 C ATOM 0 H LEU A 53 8.231 -6.787 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 53 7.926 -4.113 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.810 -4.726 -9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.756 -5.418 -7.843 1.00 0.00 H new ATOM 0 HG LEU A 53 7.702 -7.117 -9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.450 -7.767 -10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.027 -6.045 -11.011 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.530 -6.521 -10.184 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.347 -8.875 -8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.437 -7.642 -8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.869 -7.967 -7.230 1.00 0.00 H new ATOM 819 N LYS A 54 5.720 -6.304 -7.932 1.00 0.00 N ATOM 820 CA LYS A 54 4.415 -6.381 -8.476 1.00 0.00 C ATOM 821 C LYS A 54 3.300 -5.808 -7.656 1.00 0.00 C ATOM 822 O LYS A 54 2.443 -5.228 -8.212 1.00 0.00 O ATOM 823 CB LYS A 54 4.080 -7.647 -9.243 1.00 0.00 C ATOM 824 CG LYS A 54 4.916 -8.854 -8.846 1.00 0.00 C ATOM 825 CD LYS A 54 4.474 -9.509 -7.561 1.00 0.00 C ATOM 826 CE LYS A 54 3.089 -10.040 -7.566 1.00 0.00 C ATOM 827 NZ LYS A 54 2.796 -10.976 -8.692 1.00 0.00 N ATOM 0 H LYS A 54 6.082 -7.159 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 54 4.496 -5.640 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.027 -7.883 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.215 -7.460 -10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.878 -9.590 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.957 -8.546 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.159 -10.326 -7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.565 -8.784 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.906 -10.555 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.391 -9.204 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.253 -11.789 -8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.241 -10.481 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.689 -11.311 -9.106 1.00 0.00 H new ATOM 841 N GLU A 55 3.362 -5.889 -6.362 1.00 0.00 N ATOM 842 CA GLU A 55 2.215 -5.301 -5.661 1.00 0.00 C ATOM 843 C GLU A 55 2.309 -3.792 -5.690 1.00 0.00 C ATOM 844 O GLU A 55 1.376 -3.111 -6.064 1.00 0.00 O ATOM 845 CB GLU A 55 1.975 -5.874 -4.243 1.00 0.00 C ATOM 846 CG GLU A 55 2.517 -5.074 -3.070 1.00 0.00 C ATOM 847 CD GLU A 55 1.493 -4.105 -2.472 1.00 0.00 C ATOM 848 OE1 GLU A 55 0.861 -3.334 -3.236 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.292 -4.143 -1.244 1.00 0.00 O ATOM 0 H GLU A 55 4.103 -6.306 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 55 1.319 -5.596 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.900 -5.992 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.413 -6.871 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.852 -5.762 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.392 -4.511 -3.396 1.00 0.00 H new ATOM 856 N ILE A 56 3.459 -3.285 -5.374 1.00 0.00 N ATOM 857 CA ILE A 56 3.572 -1.842 -5.247 1.00 0.00 C ATOM 858 C ILE A 56 3.505 -1.140 -6.608 1.00 0.00 C ATOM 859 O ILE A 56 3.372 0.078 -6.674 1.00 0.00 O ATOM 860 CB ILE A 56 4.829 -1.399 -4.473 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.066 -1.654 -5.334 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.933 -2.131 -3.133 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.370 -1.539 -4.599 1.00 0.00 C ATOM 0 H ILE A 56 4.313 -3.815 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 56 2.708 -1.534 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 56 4.759 -0.333 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.993 -2.652 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.068 -0.947 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.828 -1.801 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.054 -1.909 -2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.991 -3.205 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.193 -1.735 -5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.470 -0.533 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.395 -2.265 -3.786 1.00 0.00 H new ATOM 875 N SER A 57 3.631 -1.897 -7.680 1.00 0.00 N ATOM 876 CA SER A 57 3.446 -1.345 -9.004 1.00 0.00 C ATOM 877 C SER A 57 2.001 -1.609 -9.431 1.00 0.00 C ATOM 878 O SER A 57 1.334 -0.752 -10.014 1.00 0.00 O ATOM 879 CB SER A 57 4.441 -1.974 -9.992 1.00 0.00 C ATOM 880 OG SER A 57 4.333 -1.411 -11.287 1.00 0.00 O ATOM 0 H SER A 57 3.860 -2.891 -7.659 1.00 0.00 H new ATOM 0 HA SER A 57 3.635 -0.271 -8.997 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.456 -1.836 -9.621 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.265 -3.048 -10.048 1.00 0.00 H new ATOM 0 HG SER A 57 4.983 -1.837 -11.884 1.00 0.00 H new ATOM 886 N HIS A 58 1.543 -2.806 -9.128 1.00 0.00 N ATOM 887 CA HIS A 58 0.205 -3.215 -9.431 1.00 0.00 C ATOM 888 C HIS A 58 -0.795 -2.610 -8.466 1.00 0.00 C ATOM 889 O HIS A 58 -1.417 -1.628 -8.815 1.00 0.00 O ATOM 890 CB HIS A 58 0.113 -4.746 -9.609 1.00 0.00 C ATOM 891 CG HIS A 58 -1.205 -5.429 -9.428 1.00 0.00 C ATOM 892 ND1 HIS A 58 -1.580 -5.833 -8.184 1.00 0.00 N ATOM 893 CD2 HIS A 58 -2.095 -5.891 -10.332 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.660 -6.539 -8.329 1.00 0.00 C ATOM 895 NE2 HIS A 58 -3.026 -6.609 -9.617 1.00 0.00 N ATOM 0 H HIS A 58 2.100 -3.521 -8.661 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.080 -2.809 -10.402 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.468 -4.980 -10.613 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.815 -5.199 -8.909 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.079 -5.730 -11.400 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -3.195 -7.009 -7.517 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.837 -7.099 -9.994 1.00 0.00 H new ATOM 903 N ALA A 59 -0.936 -3.087 -7.245 1.00 0.00 N ATOM 904 CA ALA A 59 -1.949 -2.762 -6.272 1.00 0.00 C ATOM 905 C ALA A 59 -1.716 -1.430 -5.616 1.00 0.00 C ATOM 906 O ALA A 59 -2.566 -0.545 -5.725 1.00 0.00 O ATOM 907 CB ALA A 59 -1.968 -3.844 -5.210 1.00 0.00 C ATOM 0 H ALA A 59 -0.280 -3.777 -6.879 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.904 -2.702 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.730 -3.611 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.194 -4.804 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.993 -3.896 -4.726 1.00 0.00 H new ATOM 913 N LEU A 60 -0.595 -1.274 -4.922 1.00 0.00 N ATOM 914 CA LEU A 60 -0.325 -0.031 -4.213 1.00 0.00 C ATOM 915 C LEU A 60 -0.286 1.145 -5.136 1.00 0.00 C ATOM 916 O LEU A 60 -0.858 2.176 -4.845 1.00 0.00 O ATOM 917 CB LEU A 60 0.928 -0.132 -3.383 1.00 0.00 C ATOM 918 CG LEU A 60 0.729 0.125 -1.904 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.263 -0.885 -1.320 1.00 0.00 C ATOM 920 CD2 LEU A 60 2.071 0.056 -1.211 1.00 0.00 C ATOM 0 H LEU A 60 0.133 -1.983 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.157 0.135 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.353 -1.127 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.660 0.579 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 60 0.308 1.118 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.397 -0.690 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.222 -0.790 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.123 -1.895 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.940 0.240 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.506 -0.933 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.736 0.811 -1.630 1.00 0.00 H new ATOM 932 N LYS A 61 0.296 0.981 -6.278 1.00 0.00 N ATOM 933 CA LYS A 61 0.365 2.076 -7.206 1.00 0.00 C ATOM 934 C LYS A 61 -1.008 2.340 -7.853 1.00 0.00 C ATOM 935 O LYS A 61 -1.283 3.450 -8.278 1.00 0.00 O ATOM 936 CB LYS A 61 1.459 1.819 -8.221 1.00 0.00 C ATOM 937 CG LYS A 61 1.770 2.931 -9.232 1.00 0.00 C ATOM 938 CD LYS A 61 2.597 4.111 -8.680 1.00 0.00 C ATOM 939 CE LYS A 61 1.845 5.048 -7.739 1.00 0.00 C ATOM 940 NZ LYS A 61 2.650 6.267 -7.431 1.00 0.00 N ATOM 0 H LYS A 61 0.728 0.113 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 61 0.626 2.990 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.376 1.595 -7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.193 0.922 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.307 2.494 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.829 3.319 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.463 3.711 -8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.976 4.693 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.898 5.340 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.607 4.523 -6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.029 7.004 -7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.386 6.030 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.096 6.618 -8.302 1.00 0.00 H new ATOM 954 N SER A 62 -1.905 1.365 -7.811 1.00 0.00 N ATOM 955 CA SER A 62 -3.231 1.540 -8.375 1.00 0.00 C ATOM 956 C SER A 62 -4.185 2.168 -7.369 1.00 0.00 C ATOM 957 O SER A 62 -4.705 3.273 -7.577 1.00 0.00 O ATOM 958 CB SER A 62 -3.788 0.221 -8.925 1.00 0.00 C ATOM 959 OG SER A 62 -3.103 -0.165 -10.109 1.00 0.00 O ATOM 0 H SER A 62 -1.738 0.449 -7.394 1.00 0.00 H new ATOM 0 HA SER A 62 -3.138 2.230 -9.214 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.691 -0.561 -8.172 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.852 0.330 -9.135 1.00 0.00 H new ATOM 0 HG SER A 62 -2.290 -0.658 -9.871 1.00 0.00 H new ATOM 965 N SER A 63 -4.317 1.510 -6.245 1.00 0.00 N ATOM 966 CA SER A 63 -5.215 1.849 -5.201 1.00 0.00 C ATOM 967 C SER A 63 -4.786 3.166 -4.634 1.00 0.00 C ATOM 968 O SER A 63 -5.563 4.084 -4.541 1.00 0.00 O ATOM 969 CB SER A 63 -5.077 0.776 -4.115 1.00 0.00 C ATOM 970 OG SER A 63 -5.157 -0.522 -4.667 1.00 0.00 O ATOM 0 H SER A 63 -3.764 0.679 -6.035 1.00 0.00 H new ATOM 0 HA SER A 63 -6.243 1.909 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.124 0.897 -3.600 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.862 0.906 -3.370 1.00 0.00 H new ATOM 0 HG SER A 63 -4.278 -0.786 -5.011 1.00 0.00 H new ATOM 976 N ALA A 64 -3.507 3.254 -4.342 1.00 0.00 N ATOM 977 CA ALA A 64 -3.025 4.418 -3.642 1.00 0.00 C ATOM 978 C ALA A 64 -2.922 5.631 -4.555 1.00 0.00 C ATOM 979 O ALA A 64 -3.048 6.722 -4.104 1.00 0.00 O ATOM 980 CB ALA A 64 -1.753 4.153 -2.857 1.00 0.00 C ATOM 0 H ALA A 64 -2.801 2.554 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.778 4.662 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.440 5.067 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.938 3.375 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.967 3.827 -3.538 1.00 0.00 H new ATOM 986 N ALA A 65 -2.765 5.463 -5.854 1.00 0.00 N ATOM 987 CA ALA A 65 -2.758 6.609 -6.765 1.00 0.00 C ATOM 988 C ALA A 65 -4.102 7.314 -6.687 1.00 0.00 C ATOM 989 O ALA A 65 -4.207 8.516 -6.931 1.00 0.00 O ATOM 990 CB ALA A 65 -2.501 6.175 -8.194 1.00 0.00 C ATOM 0 H ALA A 65 -2.641 4.557 -6.306 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.956 7.284 -6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.502 7.049 -8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.533 5.678 -8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.283 5.485 -8.511 1.00 0.00 H new ATOM 996 N SER A 66 -5.129 6.559 -6.363 1.00 0.00 N ATOM 997 CA SER A 66 -6.422 7.134 -6.140 1.00 0.00 C ATOM 998 C SER A 66 -6.689 7.379 -4.646 1.00 0.00 C ATOM 999 O SER A 66 -7.154 8.445 -4.278 1.00 0.00 O ATOM 1000 CB SER A 66 -7.501 6.245 -6.747 1.00 0.00 C ATOM 1001 OG SER A 66 -7.270 6.058 -8.141 1.00 0.00 O ATOM 0 H SER A 66 -5.086 5.546 -6.250 1.00 0.00 H new ATOM 0 HA SER A 66 -6.447 8.106 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.511 5.279 -6.242 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.481 6.696 -6.592 1.00 0.00 H new ATOM 0 HG SER A 66 -7.971 5.484 -8.515 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.358 6.422 -3.780 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.756 6.518 -2.367 1.00 0.00 C ATOM 1009 C PHE A 67 -5.537 6.567 -1.397 1.00 0.00 C ATOM 1010 O PHE A 67 -5.563 6.058 -0.297 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.688 5.330 -2.046 1.00 0.00 C ATOM 1012 CG PHE A 67 -8.848 5.175 -3.001 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -9.930 6.034 -2.949 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -8.848 4.163 -3.952 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -10.985 5.895 -3.831 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -9.901 4.021 -4.835 1.00 0.00 C ATOM 1017 CZ PHE A 67 -10.972 4.886 -4.772 1.00 0.00 C ATOM 0 H PHE A 67 -5.826 5.585 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.282 7.460 -2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.102 4.411 -2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.078 5.452 -1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.951 6.822 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.014 3.478 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.821 6.577 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.885 3.233 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.799 4.774 -5.457 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.488 7.201 -1.826 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.287 7.355 -0.984 1.00 0.00 C ATOM 1029 C GLY A 68 -2.184 7.980 -1.793 1.00 0.00 C ATOM 1030 O GLY A 68 -1.016 7.613 -1.709 1.00 0.00 O ATOM 0 H GLY A 68 -4.416 7.628 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.514 7.977 -0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.969 6.384 -0.605 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.644 8.965 -2.532 1.00 0.00 N ATOM 1035 CA ALA A 69 -1.804 9.672 -3.524 1.00 0.00 C ATOM 1036 C ALA A 69 -0.696 10.560 -2.885 1.00 0.00 C ATOM 1037 O ALA A 69 -0.264 11.557 -3.459 1.00 0.00 O ATOM 1038 CB ALA A 69 -2.710 10.507 -4.416 1.00 0.00 C ATOM 0 H ALA A 69 -3.602 9.311 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.273 8.918 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.107 11.036 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.419 9.855 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.254 11.229 -3.808 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.276 10.197 -1.697 1.00 0.00 N ATOM 1045 CA ASP A 70 0.728 10.933 -0.937 1.00 0.00 C ATOM 1046 C ASP A 70 1.696 9.811 -0.506 1.00 0.00 C ATOM 1047 O ASP A 70 1.730 8.769 -1.188 1.00 0.00 O ATOM 1048 CB ASP A 70 0.066 11.634 0.271 1.00 0.00 C ATOM 1049 CG ASP A 70 1.002 12.569 1.022 1.00 0.00 C ATOM 1050 OD1 ASP A 70 1.450 13.575 0.441 1.00 0.00 O ATOM 1051 OD2 ASP A 70 1.318 12.302 2.177 1.00 0.00 O ATOM 0 H ASP A 70 -0.624 9.368 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 70 1.228 11.729 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.797 12.201 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.307 10.876 0.960 1.00 0.00 H new ATOM 1056 N ARG A 71 2.578 9.995 0.456 1.00 0.00 N ATOM 1057 CA ARG A 71 3.360 9.008 1.207 1.00 0.00 C ATOM 1058 C ARG A 71 3.491 7.600 0.703 1.00 0.00 C ATOM 1059 O ARG A 71 4.526 7.259 0.192 1.00 0.00 O ATOM 1060 CB ARG A 71 3.095 9.056 2.697 1.00 0.00 C ATOM 1061 CG ARG A 71 3.383 10.411 3.291 1.00 0.00 C ATOM 1062 CD ARG A 71 3.077 10.453 4.784 1.00 0.00 C ATOM 1063 NE ARG A 71 3.119 11.820 5.302 1.00 0.00 N ATOM 1064 CZ ARG A 71 3.171 12.170 6.589 1.00 0.00 C ATOM 1065 NH1 ARG A 71 3.260 11.244 7.538 1.00 0.00 N ATOM 1066 NH2 ARG A 71 3.131 13.459 6.918 1.00 0.00 N ATOM 0 H ARG A 71 2.795 10.940 0.772 1.00 0.00 H new ATOM 0 HA ARG A 71 4.360 9.383 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.054 8.794 2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.709 8.306 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.431 10.664 3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.789 11.167 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.092 10.024 4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.798 9.837 5.322 1.00 0.00 H new ATOM 0 HE ARG A 71 3.107 12.575 4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.289 10.256 7.286 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.299 11.521 8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.061 14.169 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.170 13.736 7.899 1.00 0.00 H new ATOM 1080 N LEU A 72 2.465 6.792 0.885 1.00 0.00 N ATOM 1081 CA LEU A 72 2.501 5.357 0.486 1.00 0.00 C ATOM 1082 C LEU A 72 3.104 5.255 -0.885 1.00 0.00 C ATOM 1083 O LEU A 72 4.048 4.516 -1.135 1.00 0.00 O ATOM 1084 CB LEU A 72 1.083 4.847 0.319 1.00 0.00 C ATOM 1085 CG LEU A 72 0.097 5.352 1.332 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -1.293 4.882 0.974 1.00 0.00 C ATOM 1087 CD2 LEU A 72 0.505 4.938 2.736 1.00 0.00 C ATOM 0 H LEU A 72 1.583 7.085 1.306 1.00 0.00 H new ATOM 0 HA LEU A 72 3.057 4.800 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.730 5.121 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.098 3.758 0.363 1.00 0.00 H new ATOM 0 HG LEU A 72 0.091 6.442 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.004 5.252 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.563 5.262 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.317 3.792 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.224 5.315 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.545 3.850 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.487 5.351 2.966 1.00 0.00 H new ATOM 1099 N CYS A 73 2.654 6.198 -1.661 1.00 0.00 N ATOM 1100 CA CYS A 73 2.958 6.132 -3.038 1.00 0.00 C ATOM 1101 C CYS A 73 4.432 6.385 -3.291 1.00 0.00 C ATOM 1102 O CYS A 73 5.130 5.527 -3.812 1.00 0.00 O ATOM 1103 CB CYS A 73 2.060 7.000 -3.901 1.00 0.00 C ATOM 1104 SG CYS A 73 0.353 6.462 -4.000 1.00 0.00 S ATOM 0 H CYS A 73 2.092 6.996 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 73 2.743 5.110 -3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 73 2.082 8.018 -3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.473 7.034 -4.909 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.345 7.063 -3.083 1.00 0.00 H new ATOM 1110 N GLU A 74 4.974 7.471 -2.802 1.00 0.00 N ATOM 1111 CA GLU A 74 6.366 7.814 -3.141 1.00 0.00 C ATOM 1112 C GLU A 74 7.275 7.709 -1.986 1.00 0.00 C ATOM 1113 O GLU A 74 8.425 7.272 -2.103 1.00 0.00 O ATOM 1114 CB GLU A 74 6.484 9.231 -3.664 1.00 0.00 C ATOM 1115 CG GLU A 74 5.975 9.504 -5.051 1.00 0.00 C ATOM 1116 CD GLU A 74 4.501 9.272 -5.283 1.00 0.00 C ATOM 1117 OE1 GLU A 74 3.680 9.900 -4.596 1.00 0.00 O ATOM 1118 OE2 GLU A 74 4.142 8.517 -6.229 1.00 0.00 O ATOM 0 H GLU A 74 4.502 8.130 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 74 6.652 7.092 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.953 9.889 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.536 9.516 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.201 10.541 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.533 8.880 -5.749 1.00 0.00 H new ATOM 1125 N ARG A 75 6.762 8.131 -0.890 1.00 0.00 N ATOM 1126 CA ARG A 75 7.516 8.240 0.299 1.00 0.00 C ATOM 1127 C ARG A 75 7.845 6.802 0.703 1.00 0.00 C ATOM 1128 O ARG A 75 8.935 6.521 1.159 1.00 0.00 O ATOM 1129 CB ARG A 75 6.604 8.933 1.295 1.00 0.00 C ATOM 1130 CG ARG A 75 7.159 9.434 2.597 1.00 0.00 C ATOM 1131 CD ARG A 75 7.840 8.355 3.382 1.00 0.00 C ATOM 1132 NE ARG A 75 8.253 8.837 4.695 1.00 0.00 N ATOM 1133 CZ ARG A 75 9.494 9.156 5.065 1.00 0.00 C ATOM 1134 NH1 ARG A 75 10.491 9.120 4.191 1.00 0.00 N ATOM 1135 NH2 ARG A 75 9.714 9.567 6.303 1.00 0.00 N ATOM 0 H ARG A 75 5.787 8.415 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 75 8.444 8.806 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.154 9.785 0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.796 8.240 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.868 10.239 2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.351 9.859 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.166 7.506 3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.711 7.997 2.833 1.00 0.00 H new ATOM 0 HE ARG A 75 7.522 8.940 5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.313 8.846 3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.436 9.366 4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.939 9.637 6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.659 9.814 6.598 1.00 0.00 H new ATOM 1149 N ALA A 76 6.939 5.866 0.432 1.00 0.00 N ATOM 1150 CA ALA A 76 7.249 4.526 0.775 1.00 0.00 C ATOM 1151 C ALA A 76 8.102 4.004 -0.331 1.00 0.00 C ATOM 1152 O ALA A 76 9.243 3.755 -0.120 1.00 0.00 O ATOM 1153 CB ALA A 76 6.005 3.681 0.981 1.00 0.00 C ATOM 0 H ALA A 76 6.030 6.021 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 76 7.774 4.483 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.296 2.663 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.406 4.105 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.419 3.667 0.062 1.00 0.00 H new ATOM 1159 N ILE A 77 7.565 4.091 -1.534 1.00 0.00 N ATOM 1160 CA ILE A 77 8.236 3.427 -2.651 1.00 0.00 C ATOM 1161 C ILE A 77 9.769 3.633 -2.837 1.00 0.00 C ATOM 1162 O ILE A 77 10.560 2.649 -2.987 1.00 0.00 O ATOM 1163 CB ILE A 77 7.396 3.454 -3.930 1.00 0.00 C ATOM 1164 CG1 ILE A 77 6.069 2.699 -3.670 1.00 0.00 C ATOM 1165 CG2 ILE A 77 8.133 2.874 -5.130 1.00 0.00 C ATOM 1166 CD1 ILE A 77 6.170 1.590 -2.632 1.00 0.00 C ATOM 0 H ILE A 77 6.705 4.589 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 77 8.277 2.389 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 77 7.189 4.494 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.315 3.416 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.719 2.270 -4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.490 2.919 -6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.039 3.451 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.398 1.836 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.197 1.114 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.898 0.849 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.488 2.012 -1.678 1.00 0.00 H new ATOM 1178 N ALA A 78 10.220 4.825 -2.556 1.00 0.00 N ATOM 1179 CA ALA A 78 11.599 5.188 -2.810 1.00 0.00 C ATOM 1180 C ALA A 78 12.404 4.893 -1.553 1.00 0.00 C ATOM 1181 O ALA A 78 13.523 4.351 -1.594 1.00 0.00 O ATOM 1182 CB ALA A 78 11.706 6.663 -3.179 1.00 0.00 C ATOM 0 H ALA A 78 9.654 5.569 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 78 11.988 4.610 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.749 6.916 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.119 6.857 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.326 7.272 -2.358 1.00 0.00 H new ATOM 1188 N ILE A 79 11.728 5.109 -0.441 1.00 0.00 N ATOM 1189 CA ILE A 79 12.313 5.113 0.881 1.00 0.00 C ATOM 1190 C ILE A 79 12.044 3.787 1.564 1.00 0.00 C ATOM 1191 O ILE A 79 12.530 3.506 2.688 1.00 0.00 O ATOM 1192 CB ILE A 79 11.708 6.280 1.656 1.00 0.00 C ATOM 1193 CG1 ILE A 79 11.823 7.523 0.776 1.00 0.00 C ATOM 1194 CG2 ILE A 79 12.362 6.503 3.019 1.00 0.00 C ATOM 1195 CD1 ILE A 79 13.234 8.065 0.566 1.00 0.00 C ATOM 0 H ILE A 79 10.725 5.292 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 79 13.395 5.238 0.832 1.00 0.00 H new ATOM 0 HB ILE A 79 10.665 6.054 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 79 11.394 7.294 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.213 8.313 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.885 7.347 3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.245 5.608 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.423 6.714 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.194 8.947 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 79 13.667 8.335 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.850 7.301 0.092 1.00 0.00 H new ATOM 1207 N ASP A 80 11.572 2.863 0.757 1.00 0.00 N ATOM 1208 CA ASP A 80 11.255 1.542 1.126 1.00 0.00 C ATOM 1209 C ASP A 80 12.388 0.753 0.803 1.00 0.00 C ATOM 1210 O ASP A 80 13.111 0.351 1.725 1.00 0.00 O ATOM 1211 CB ASP A 80 10.008 1.031 0.380 1.00 0.00 C ATOM 1212 CG ASP A 80 9.482 -0.269 0.917 1.00 0.00 C ATOM 1213 OD1 ASP A 80 9.992 -1.319 0.514 1.00 0.00 O ATOM 1214 OD2 ASP A 80 8.555 -0.234 1.781 1.00 0.00 O ATOM 0 H ASP A 80 11.396 3.047 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 80 11.021 1.487 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.223 1.785 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.250 0.908 -0.676 1.00 0.00 H new ATOM 1219 N LYS A 81 12.622 0.660 -0.511 1.00 0.00 N ATOM 1220 CA LYS A 81 13.757 -0.065 -0.990 1.00 0.00 C ATOM 1221 C LYS A 81 14.990 0.320 -0.185 1.00 0.00 C ATOM 1222 O LYS A 81 15.480 -0.499 0.620 1.00 0.00 O ATOM 1223 CB LYS A 81 13.947 0.120 -2.506 1.00 0.00 C ATOM 1224 CG LYS A 81 13.585 1.503 -3.050 1.00 0.00 C ATOM 1225 CD LYS A 81 13.970 1.620 -4.507 1.00 0.00 C ATOM 1226 CE LYS A 81 13.516 2.923 -5.144 1.00 0.00 C ATOM 1227 NZ LYS A 81 12.049 2.976 -5.339 1.00 0.00 N ATOM 0 H LYS A 81 12.038 1.078 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 81 13.588 -1.132 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.988 -0.087 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.343 -0.625 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.515 1.676 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.095 2.272 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.053 1.537 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.539 0.784 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.827 3.758 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.012 3.046 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.786 3.897 -5.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.757 2.216 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.572 2.852 -4.423 1.00 0.00 H new ATOM 1241 N LYS A 82 15.457 1.567 -0.369 1.00 0.00 N ATOM 1242 CA LYS A 82 16.614 2.070 0.372 1.00 0.00 C ATOM 1243 C LYS A 82 16.827 1.620 1.815 1.00 0.00 C ATOM 1244 O LYS A 82 17.738 0.806 2.077 1.00 0.00 O ATOM 1245 CB LYS A 82 16.932 3.547 0.094 1.00 0.00 C ATOM 1246 CG LYS A 82 15.861 4.569 0.435 1.00 0.00 C ATOM 1247 CD LYS A 82 15.741 4.887 1.920 1.00 0.00 C ATOM 1248 CE LYS A 82 17.063 5.338 2.531 1.00 0.00 C ATOM 1249 NZ LYS A 82 17.643 6.522 1.862 1.00 0.00 N ATOM 0 H LYS A 82 15.050 2.237 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 82 17.412 1.490 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.834 3.807 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.168 3.647 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.072 5.492 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.899 4.202 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.994 5.668 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.383 4.004 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.909 5.565 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.777 4.516 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.503 6.818 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.882 6.283 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.952 7.299 1.871 1.00 0.00 H new ATOM 1263 N ALA A 83 15.945 1.848 2.740 1.00 0.00 N ATOM 1264 CA ALA A 83 16.346 1.615 4.079 1.00 0.00 C ATOM 1265 C ALA A 83 15.282 0.964 4.781 1.00 0.00 C ATOM 1266 O ALA A 83 15.549 0.282 5.683 1.00 0.00 O ATOM 1267 CB ALA A 83 16.738 2.888 4.796 1.00 0.00 C ATOM 0 H ALA A 83 14.991 2.179 2.598 1.00 0.00 H new ATOM 0 HA ALA A 83 17.231 0.979 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.037 2.653 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.571 3.358 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.889 3.571 4.814 1.00 0.00 H new ATOM 1273 N LYS A 84 14.069 1.299 4.434 1.00 0.00 N ATOM 1274 CA LYS A 84 13.011 0.551 5.066 1.00 0.00 C ATOM 1275 C LYS A 84 13.290 -0.955 4.904 1.00 0.00 C ATOM 1276 O LYS A 84 13.158 -1.718 5.867 1.00 0.00 O ATOM 1277 CB LYS A 84 11.642 0.944 4.508 1.00 0.00 C ATOM 1278 CG LYS A 84 10.881 -0.180 3.798 1.00 0.00 C ATOM 1279 CD LYS A 84 10.137 -1.098 4.744 1.00 0.00 C ATOM 1280 CE LYS A 84 8.952 -0.365 5.298 1.00 0.00 C ATOM 1281 NZ LYS A 84 7.877 -0.214 4.282 1.00 0.00 N ATOM 0 H LYS A 84 13.797 2.025 3.771 1.00 0.00 H new ATOM 0 HA LYS A 84 12.987 0.788 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.027 1.317 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.776 1.769 3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.171 0.259 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.585 -0.770 3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.813 -1.997 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.794 -1.419 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.563 -0.902 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.263 0.619 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.642 0.793 4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.204 -0.594 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.032 -0.735 4.591 1.00 0.00 H new ATOM 1295 N ALA A 85 13.733 -1.400 3.733 1.00 0.00 N ATOM 1296 CA ALA A 85 13.973 -2.783 3.562 1.00 0.00 C ATOM 1297 C ALA A 85 15.339 -3.171 4.089 1.00 0.00 C ATOM 1298 O ALA A 85 15.476 -4.232 4.766 1.00 0.00 O ATOM 1299 CB ALA A 85 13.909 -3.064 2.086 1.00 0.00 C ATOM 0 H ALA A 85 13.923 -0.817 2.918 1.00 0.00 H new ATOM 0 HA ALA A 85 13.230 -3.359 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 85 14.089 -4.124 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.923 -2.796 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.668 -2.476 1.570 1.00 0.00 H new ATOM 1305 N ASN A 86 16.351 -2.292 3.925 1.00 0.00 N ATOM 1306 CA ASN A 86 17.648 -2.692 4.413 1.00 0.00 C ATOM 1307 C ASN A 86 17.810 -2.491 5.927 1.00 0.00 C ATOM 1308 O ASN A 86 18.766 -2.976 6.534 1.00 0.00 O ATOM 1309 CB ASN A 86 18.722 -2.001 3.584 1.00 0.00 C ATOM 1310 CG ASN A 86 20.097 -2.623 3.749 1.00 0.00 C ATOM 1311 OD1 ASN A 86 20.371 -3.666 2.978 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 20.903 -2.188 4.567 1.00 0.00 N flip ATOM 0 H ASN A 86 16.289 -1.372 3.490 1.00 0.00 H new ATOM 0 HA ASN A 86 17.758 -3.769 4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.438 -2.036 2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.770 -0.949 3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 86 20.660 -1.383 5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 86 21.816 -2.631 4.669 1.00 0.00 H new ATOM 1319 N GLN A 87 16.880 -1.776 6.539 1.00 0.00 N ATOM 1320 CA GLN A 87 16.882 -1.569 7.981 1.00 0.00 C ATOM 1321 C GLN A 87 16.357 -2.801 8.673 1.00 0.00 C ATOM 1322 O GLN A 87 16.908 -3.219 9.680 1.00 0.00 O ATOM 1323 CB GLN A 87 16.010 -0.349 8.413 1.00 0.00 C ATOM 1324 CG GLN A 87 14.520 -0.614 8.321 1.00 0.00 C ATOM 1325 CD GLN A 87 13.621 0.471 8.805 1.00 0.00 C ATOM 1326 OE1 GLN A 87 12.472 0.056 9.267 1.00 0.00 O flip ATOM 1327 NE2 GLN A 87 13.936 1.659 8.749 1.00 0.00 N flip ATOM 0 H GLN A 87 16.105 -1.324 6.054 1.00 0.00 H new ATOM 0 HA GLN A 87 17.914 -1.367 8.269 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.261 -0.077 9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 87 16.259 0.507 7.786 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.274 -0.822 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.299 -1.519 8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.847 1.928 8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.286 2.375 9.073 1.00 0.00 H new ATOM 1336 N LEU A 88 15.285 -3.391 8.138 1.00 0.00 N ATOM 1337 CA LEU A 88 14.516 -4.467 8.676 1.00 0.00 C ATOM 1338 C LEU A 88 15.359 -5.682 8.957 1.00 0.00 C ATOM 1339 O LEU A 88 15.636 -6.024 10.103 1.00 0.00 O ATOM 1340 CB LEU A 88 13.416 -4.842 7.631 1.00 0.00 C ATOM 1341 CG LEU A 88 11.948 -4.552 7.941 1.00 0.00 C ATOM 1342 CD1 LEU A 88 11.431 -5.488 9.021 1.00 0.00 C ATOM 1343 CD2 LEU A 88 11.734 -3.109 8.352 1.00 0.00 C ATOM 0 H LEU A 88 14.918 -3.085 7.237 1.00 0.00 H new ATOM 0 HA LEU A 88 14.081 -4.144 9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.661 -4.327 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 88 13.503 -5.911 7.436 1.00 0.00 H new ATOM 0 HG LEU A 88 11.384 -4.724 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.384 -5.264 9.226 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.522 -6.520 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.016 -5.352 9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.678 -2.944 8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.321 -2.894 9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.049 -2.450 7.543 1.00 0.00 H new ATOM 1355 N GLN A 89 15.728 -6.332 7.901 1.00 0.00 N ATOM 1356 CA GLN A 89 16.295 -7.644 7.861 1.00 0.00 C ATOM 1357 C GLN A 89 17.765 -7.626 8.100 1.00 0.00 C ATOM 1358 O GLN A 89 18.475 -6.742 7.611 1.00 0.00 O ATOM 1359 CB GLN A 89 15.998 -8.168 6.486 1.00 0.00 C ATOM 1360 CG GLN A 89 14.611 -7.755 6.073 1.00 0.00 C ATOM 1361 CD GLN A 89 14.218 -8.245 4.746 1.00 0.00 C ATOM 1362 OE1 GLN A 89 14.633 -9.290 4.294 1.00 0.00 O ATOM 1363 NE2 GLN A 89 13.439 -7.466 4.100 1.00 0.00 N ATOM 0 H GLN A 89 15.634 -5.928 6.969 1.00 0.00 H new ATOM 0 HA GLN A 89 15.871 -8.270 8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.729 -7.784 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.083 -9.255 6.475 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.898 -8.121 6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.548 -6.667 6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.118 -6.597 4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.138 -7.713 3.157 1.00 0.00 H new ATOM 1372 N GLU A 90 18.237 -8.641 8.787 1.00 0.00 N ATOM 1373 CA GLU A 90 19.640 -8.678 9.115 1.00 0.00 C ATOM 1374 C GLU A 90 20.346 -9.257 7.889 1.00 0.00 C ATOM 1375 O GLU A 90 21.537 -9.079 7.680 1.00 0.00 O ATOM 1376 CB GLU A 90 19.874 -9.632 10.288 1.00 0.00 C ATOM 1377 CG GLU A 90 19.013 -9.386 11.512 1.00 0.00 C ATOM 1378 CD GLU A 90 19.307 -8.080 12.203 1.00 0.00 C ATOM 1379 OE1 GLU A 90 18.693 -7.062 11.868 1.00 0.00 O ATOM 1380 OE2 GLU A 90 20.154 -8.066 13.119 1.00 0.00 O ATOM 0 H GLU A 90 17.686 -9.432 9.121 1.00 0.00 H new ATOM 0 HA GLU A 90 20.004 -7.686 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 90 19.703 -10.652 9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.921 -9.567 10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.964 -9.404 11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 90 19.159 -10.203 12.219 1.00 0.00 H new ATOM 1387 N GLN A 91 19.547 -9.949 7.069 1.00 0.00 N ATOM 1388 CA GLN A 91 20.040 -10.595 5.870 1.00 0.00 C ATOM 1389 C GLN A 91 20.168 -9.609 4.733 1.00 0.00 C ATOM 1390 O GLN A 91 20.593 -9.984 3.641 1.00 0.00 O ATOM 1391 CB GLN A 91 19.124 -11.744 5.443 1.00 0.00 C ATOM 1392 CG GLN A 91 19.104 -12.900 6.415 1.00 0.00 C ATOM 1393 CD GLN A 91 20.463 -13.562 6.558 1.00 0.00 C ATOM 1394 OE1 GLN A 91 21.261 -13.621 5.612 1.00 0.00 O ATOM 1395 NE2 GLN A 91 20.756 -14.036 7.742 1.00 0.00 N ATOM 0 H GLN A 91 18.546 -10.071 7.226 1.00 0.00 H new ATOM 0 HA GLN A 91 21.026 -10.996 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.110 -11.363 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.444 -12.108 4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.772 -12.545 7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.376 -13.639 6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 91 20.076 -13.971 8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.664 -14.470 7.907 1.00 0.00 H new ATOM 1404 N GLY A 92 19.808 -8.351 4.957 1.00 0.00 N ATOM 1405 CA GLY A 92 19.941 -7.395 3.908 1.00 0.00 C ATOM 1406 C GLY A 92 18.839 -7.446 2.873 1.00 0.00 C ATOM 1407 O GLY A 92 19.113 -7.810 1.741 1.00 0.00 O ATOM 0 H GLY A 92 19.434 -7.993 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.967 -6.396 4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.898 -7.551 3.410 1.00 0.00 H new ATOM 1411 N MET A 93 17.600 -7.061 3.254 1.00 0.00 N ATOM 1412 CA MET A 93 16.441 -6.885 2.348 1.00 0.00 C ATOM 1413 C MET A 93 16.242 -8.008 1.315 1.00 0.00 C ATOM 1414 O MET A 93 16.768 -7.944 0.193 1.00 0.00 O ATOM 1415 CB MET A 93 16.380 -5.480 1.728 1.00 0.00 C ATOM 1416 CG MET A 93 17.592 -5.062 0.915 1.00 0.00 C ATOM 1417 SD MET A 93 17.481 -3.375 0.293 1.00 0.00 S ATOM 1418 CE MET A 93 16.082 -3.497 -0.829 1.00 0.00 C ATOM 0 H MET A 93 17.372 -6.858 4.227 1.00 0.00 H new ATOM 0 HA MET A 93 15.574 -6.978 3.003 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.500 -5.424 1.087 1.00 0.00 H new ATOM 0 HB3 MET A 93 16.237 -4.756 2.530 1.00 0.00 H new ATOM 0 HG2 MET A 93 18.486 -5.157 1.532 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.711 -5.745 0.074 1.00 0.00 H new ATOM 0 HE1 MET A 93 15.964 -2.556 -1.366 1.00 0.00 H new ATOM 0 HE2 MET A 93 16.257 -4.303 -1.542 1.00 0.00 H new ATOM 0 HE3 MET A 93 15.176 -3.706 -0.260 1.00 0.00 H new ATOM 1428 N GLU A 94 15.497 -9.050 1.692 1.00 0.00 N ATOM 1429 CA GLU A 94 15.353 -10.185 0.815 1.00 0.00 C ATOM 1430 C GLU A 94 14.066 -11.007 1.104 1.00 0.00 C ATOM 1431 O GLU A 94 13.916 -12.123 0.586 1.00 0.00 O ATOM 1432 CB GLU A 94 16.642 -11.029 0.974 1.00 0.00 C ATOM 1433 CG GLU A 94 16.773 -11.814 2.281 1.00 0.00 C ATOM 1434 CD GLU A 94 16.489 -13.295 2.100 1.00 0.00 C ATOM 1435 OE1 GLU A 94 17.228 -13.957 1.332 1.00 0.00 O ATOM 1436 OE2 GLU A 94 15.534 -13.821 2.692 1.00 0.00 O ATOM 0 H GLU A 94 15.000 -9.120 2.580 1.00 0.00 H new ATOM 0 HA GLU A 94 15.233 -9.855 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.696 -11.733 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.501 -10.364 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.780 -11.686 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.084 -11.403 3.019 1.00 0.00 H new ATOM 1443 N THR A 95 13.098 -10.432 1.846 1.00 0.00 N ATOM 1444 CA THR A 95 11.919 -11.204 2.285 1.00 0.00 C ATOM 1445 C THR A 95 10.874 -10.366 3.073 1.00 0.00 C ATOM 1446 O THR A 95 9.775 -10.078 2.584 1.00 0.00 O ATOM 1447 CB THR A 95 12.328 -12.501 3.110 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.183 -13.189 3.643 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.306 -12.210 4.251 1.00 0.00 C ATOM 0 H THR A 95 13.107 -9.458 2.148 1.00 0.00 H new ATOM 0 HA THR A 95 11.433 -11.517 1.361 1.00 0.00 H new ATOM 0 HB THR A 95 12.831 -13.141 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.646 -13.550 2.907 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.543 -13.137 4.772 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.221 -11.778 3.845 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.852 -11.507 4.949 1.00 0.00 H new ATOM 1457 N SER A 96 11.268 -9.900 4.240 1.00 0.00 N ATOM 1458 CA SER A 96 10.407 -9.337 5.248 1.00 0.00 C ATOM 1459 C SER A 96 10.040 -7.889 5.006 1.00 0.00 C ATOM 1460 O SER A 96 9.550 -7.237 5.907 1.00 0.00 O ATOM 1461 CB SER A 96 11.174 -9.400 6.543 1.00 0.00 C ATOM 1462 OG SER A 96 11.693 -10.701 6.769 1.00 0.00 O ATOM 0 H SER A 96 12.249 -9.906 4.521 1.00 0.00 H new ATOM 0 HA SER A 96 9.475 -9.902 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.991 -8.679 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.522 -9.117 7.369 1.00 0.00 H new ATOM 0 HG SER A 96 12.188 -10.713 7.615 1.00 0.00 H new ATOM 1468 N GLU A 97 10.344 -7.357 3.862 1.00 0.00 N ATOM 1469 CA GLU A 97 9.909 -6.019 3.558 1.00 0.00 C ATOM 1470 C GLU A 97 8.810 -6.120 2.514 1.00 0.00 C ATOM 1471 O GLU A 97 7.776 -5.466 2.584 1.00 0.00 O ATOM 1472 CB GLU A 97 11.083 -5.145 3.068 1.00 0.00 C ATOM 1473 CG GLU A 97 11.607 -5.412 1.646 1.00 0.00 C ATOM 1474 CD GLU A 97 12.451 -6.654 1.520 1.00 0.00 C ATOM 1475 OE1 GLU A 97 11.979 -7.760 1.871 1.00 0.00 O ATOM 1476 OE2 GLU A 97 13.605 -6.548 1.159 1.00 0.00 O ATOM 0 H GLU A 97 10.884 -7.817 3.129 1.00 0.00 H new ATOM 0 HA GLU A 97 9.525 -5.533 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.775 -4.101 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.912 -5.271 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.758 -5.493 0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.194 -4.553 1.320 1.00 0.00 H new ATOM 1483 N MET A 98 9.079 -6.958 1.556 1.00 0.00 N ATOM 1484 CA MET A 98 8.234 -7.304 0.428 1.00 0.00 C ATOM 1485 C MET A 98 6.971 -7.942 0.957 1.00 0.00 C ATOM 1486 O MET A 98 5.862 -7.528 0.668 1.00 0.00 O ATOM 1487 CB MET A 98 9.022 -8.317 -0.412 1.00 0.00 C ATOM 1488 CG MET A 98 10.415 -7.822 -0.705 1.00 0.00 C ATOM 1489 SD MET A 98 11.447 -8.954 -1.651 1.00 0.00 S ATOM 1490 CE MET A 98 12.955 -7.999 -1.802 1.00 0.00 C ATOM 0 H MET A 98 9.965 -7.463 1.533 1.00 0.00 H new ATOM 0 HA MET A 98 7.966 -6.433 -0.170 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.076 -9.268 0.118 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.496 -8.503 -1.348 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.342 -6.881 -1.250 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.913 -7.605 0.240 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.539 -8.372 -2.644 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.707 -6.951 -1.968 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.538 -8.093 -0.886 1.00 0.00 H new ATOM 1500 N LEU A 99 7.175 -8.946 1.758 1.00 0.00 N ATOM 1501 CA LEU A 99 6.116 -9.652 2.433 1.00 0.00 C ATOM 1502 C LEU A 99 5.462 -8.716 3.496 1.00 0.00 C ATOM 1503 O LEU A 99 4.230 -8.777 3.783 1.00 0.00 O ATOM 1504 CB LEU A 99 6.802 -10.915 3.010 1.00 0.00 C ATOM 1505 CG LEU A 99 6.024 -11.891 3.866 1.00 0.00 C ATOM 1506 CD1 LEU A 99 5.936 -11.390 5.294 1.00 0.00 C ATOM 1507 CD2 LEU A 99 4.661 -12.132 3.254 1.00 0.00 C ATOM 0 H LEU A 99 8.105 -9.309 1.968 1.00 0.00 H new ATOM 0 HA LEU A 99 5.286 -9.952 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.203 -11.477 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.653 -10.577 3.601 1.00 0.00 H new ATOM 0 HG LEU A 99 6.545 -12.848 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.373 -12.104 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.940 -11.281 5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.431 -10.424 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.104 -12.835 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.117 -11.189 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.780 -12.545 2.252 1.00 0.00 H new ATOM 1519 N ALA A 100 6.305 -7.832 4.032 1.00 0.00 N ATOM 1520 CA ALA A 100 5.871 -6.876 5.039 1.00 0.00 C ATOM 1521 C ALA A 100 4.700 -6.070 4.583 1.00 0.00 C ATOM 1522 O ALA A 100 3.755 -5.897 5.336 1.00 0.00 O ATOM 1523 CB ALA A 100 6.958 -5.940 5.513 1.00 0.00 C ATOM 0 H ALA A 100 7.291 -7.762 3.782 1.00 0.00 H new ATOM 0 HA ALA A 100 5.582 -7.498 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.552 -5.260 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.771 -6.519 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.337 -5.365 4.668 1.00 0.00 H new ATOM 1529 N LEU A 101 4.741 -5.674 3.316 1.00 0.00 N ATOM 1530 CA LEU A 101 3.759 -4.812 2.669 1.00 0.00 C ATOM 1531 C LEU A 101 2.368 -5.243 2.980 1.00 0.00 C ATOM 1532 O LEU A 101 1.537 -4.446 3.382 1.00 0.00 O ATOM 1533 CB LEU A 101 3.912 -4.905 1.186 1.00 0.00 C ATOM 1534 CG LEU A 101 5.239 -4.417 0.613 1.00 0.00 C ATOM 1535 CD1 LEU A 101 5.302 -4.700 -0.863 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.463 -2.938 0.890 1.00 0.00 C ATOM 0 H LEU A 101 5.491 -5.957 2.685 1.00 0.00 H new ATOM 0 HA LEU A 101 3.929 -3.799 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.774 -5.946 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.108 -4.334 0.722 1.00 0.00 H new ATOM 0 HG LEU A 101 6.040 -4.963 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.254 -4.347 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.214 -5.773 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.485 -4.185 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.418 -2.629 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.660 -2.357 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.471 -2.767 1.966 1.00 0.00 H new ATOM 1548 N LEU A 102 2.147 -6.518 2.867 1.00 0.00 N ATOM 1549 CA LEU A 102 0.864 -7.088 3.052 1.00 0.00 C ATOM 1550 C LEU A 102 0.354 -6.925 4.482 1.00 0.00 C ATOM 1551 O LEU A 102 -0.777 -6.477 4.688 1.00 0.00 O ATOM 1552 CB LEU A 102 0.912 -8.535 2.672 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.348 -9.311 2.941 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.452 -8.916 1.957 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.069 -10.802 2.933 1.00 0.00 C ATOM 0 H LEU A 102 2.873 -7.197 2.639 1.00 0.00 H new ATOM 0 HA LEU A 102 0.162 -6.556 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.144 -8.607 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.733 -9.008 3.211 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.710 -9.059 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.353 -9.490 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.667 -7.852 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.123 -9.124 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.993 -11.346 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.324 -11.093 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.663 -11.039 3.705 1.00 0.00 H new ATOM 1567 N HIS A 103 1.161 -7.258 5.482 1.00 0.00 N ATOM 1568 CA HIS A 103 0.678 -7.123 6.850 1.00 0.00 C ATOM 1569 C HIS A 103 0.625 -5.653 7.274 1.00 0.00 C ATOM 1570 O HIS A 103 -0.148 -5.270 8.145 1.00 0.00 O ATOM 1571 CB HIS A 103 1.437 -8.009 7.864 1.00 0.00 C ATOM 1572 CG HIS A 103 2.918 -7.806 7.936 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.457 -6.641 8.418 1.00 0.00 N ATOM 1574 CD2 HIS A 103 3.917 -8.638 7.565 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.762 -6.779 8.321 1.00 0.00 C ATOM 1576 NE2 HIS A 103 5.087 -7.976 7.818 1.00 0.00 N ATOM 0 H HIS A 103 2.113 -7.609 5.381 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.343 -7.505 6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.018 -7.833 8.855 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.245 -9.053 7.618 1.00 0.00 H new ATOM 0 HD1 HIS A 103 2.950 -5.833 8.778 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.812 -9.630 7.151 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.478 -6.024 8.610 1.00 0.00 H new ATOM 1584 N ILE A 104 1.426 -4.841 6.614 1.00 0.00 N ATOM 1585 CA ILE A 104 1.402 -3.399 6.914 1.00 0.00 C ATOM 1586 C ILE A 104 0.221 -2.722 6.238 1.00 0.00 C ATOM 1587 O ILE A 104 -0.404 -1.824 6.804 1.00 0.00 O ATOM 1588 CB ILE A 104 2.780 -2.636 6.708 1.00 0.00 C ATOM 1589 CG1 ILE A 104 2.685 -1.097 6.821 1.00 0.00 C ATOM 1590 CG2 ILE A 104 3.474 -2.989 5.419 1.00 0.00 C ATOM 1591 CD1 ILE A 104 2.263 -0.404 5.524 1.00 0.00 C ATOM 0 H ILE A 104 2.084 -5.127 5.889 1.00 0.00 H new ATOM 0 HA ILE A 104 1.254 -3.325 7.991 1.00 0.00 H new ATOM 0 HB ILE A 104 3.379 -2.995 7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.972 -0.844 7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.653 -0.705 7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.408 -2.432 5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.687 -4.058 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.830 -2.733 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.219 0.673 5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.988 -0.625 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.280 -0.766 5.221 1.00 0.00 H new ATOM 1603 N THR A 105 -0.134 -3.214 5.081 1.00 0.00 N ATOM 1604 CA THR A 105 -1.215 -2.626 4.326 1.00 0.00 C ATOM 1605 C THR A 105 -2.573 -3.024 4.910 1.00 0.00 C ATOM 1606 O THR A 105 -3.439 -2.176 5.120 1.00 0.00 O ATOM 1607 CB THR A 105 -1.115 -2.929 2.791 1.00 0.00 C ATOM 1608 OG1 THR A 105 -1.991 -2.076 2.058 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.473 -4.367 2.457 1.00 0.00 C ATOM 0 H THR A 105 0.308 -4.020 4.639 1.00 0.00 H new ATOM 0 HA THR A 105 -1.121 -1.544 4.420 1.00 0.00 H new ATOM 0 HB THR A 105 -0.076 -2.753 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.203 -1.285 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.387 -4.523 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.793 -5.041 2.977 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.496 -4.570 2.773 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.710 -4.296 5.277 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.987 -4.803 5.745 1.00 0.00 C ATOM 1619 C ARG A 106 -4.329 -4.215 7.099 1.00 0.00 C ATOM 1620 O ARG A 106 -5.425 -3.756 7.302 1.00 0.00 O ATOM 1621 CB ARG A 106 -4.024 -6.346 5.791 1.00 0.00 C ATOM 1622 CG ARG A 106 -3.107 -6.967 6.836 1.00 0.00 C ATOM 1623 CD ARG A 106 -3.127 -8.480 6.794 1.00 0.00 C ATOM 1624 NE ARG A 106 -2.271 -9.058 7.836 1.00 0.00 N ATOM 1625 CZ ARG A 106 -1.934 -10.350 7.949 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -2.383 -11.255 7.084 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -1.145 -10.730 8.934 1.00 0.00 N ATOM 0 H ARG A 106 -1.958 -4.985 5.258 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.742 -4.489 5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.047 -6.667 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.751 -6.733 4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.088 -6.615 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.409 -6.630 7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.149 -8.835 6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.792 -8.822 5.815 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.899 -8.418 8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.994 -10.970 6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.116 -12.234 7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.796 -10.043 9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.883 -11.711 9.028 1.00 0.00 H new ATOM 1641 N ASP A 107 -3.337 -4.107 7.960 1.00 0.00 N ATOM 1642 CA ASP A 107 -3.522 -3.694 9.342 1.00 0.00 C ATOM 1643 C ASP A 107 -3.839 -2.204 9.445 1.00 0.00 C ATOM 1644 O ASP A 107 -4.863 -1.778 10.042 1.00 0.00 O ATOM 1645 CB ASP A 107 -2.228 -4.041 10.089 1.00 0.00 C ATOM 1646 CG ASP A 107 -2.355 -3.980 11.594 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -3.147 -4.766 12.169 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -1.650 -3.172 12.238 1.00 0.00 O ATOM 0 H ASP A 107 -2.366 -4.306 7.719 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.373 -4.213 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.911 -5.044 9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.442 -3.355 9.772 1.00 0.00 H new ATOM 1653 N ALA A 108 -2.996 -1.425 8.797 1.00 0.00 N ATOM 1654 CA ALA A 108 -3.098 0.016 8.817 1.00 0.00 C ATOM 1655 C ALA A 108 -4.451 0.469 8.312 1.00 0.00 C ATOM 1656 O ALA A 108 -5.154 1.189 8.987 1.00 0.00 O ATOM 1657 CB ALA A 108 -2.006 0.619 7.957 1.00 0.00 C ATOM 0 H ALA A 108 -2.218 -1.778 8.240 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.983 0.354 9.847 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.087 1.706 7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.032 0.321 8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.113 0.264 6.932 1.00 0.00 H new ATOM 1663 N TYR A 109 -4.862 -0.108 7.207 1.00 0.00 N ATOM 1664 CA TYR A 109 -6.062 0.347 6.503 1.00 0.00 C ATOM 1665 C TYR A 109 -7.331 -0.065 7.244 1.00 0.00 C ATOM 1666 O TYR A 109 -8.383 0.551 7.108 1.00 0.00 O ATOM 1667 CB TYR A 109 -6.023 -0.100 5.028 1.00 0.00 C ATOM 1668 CG TYR A 109 -4.860 0.505 4.236 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -3.926 1.346 4.843 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -4.680 0.210 2.896 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -2.865 1.870 4.149 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -3.611 0.725 2.189 1.00 0.00 C ATOM 1673 CZ TYR A 109 -2.710 1.555 2.820 1.00 0.00 C ATOM 1674 OH TYR A 109 -1.635 2.045 2.128 1.00 0.00 O ATOM 0 H TYR A 109 -4.389 -0.897 6.766 1.00 0.00 H new ATOM 0 HA TYR A 109 -6.079 1.437 6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.953 -1.187 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.962 0.177 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.042 1.591 5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.387 -0.434 2.395 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -2.159 2.523 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.482 0.478 1.146 1.00 0.00 H new ATOM 0 HH TYR A 109 -1.671 1.729 1.201 1.00 0.00 H new ATOM 1684 N ARG A 110 -7.160 -1.063 8.088 1.00 0.00 N ATOM 1685 CA ARG A 110 -8.284 -1.476 8.934 1.00 0.00 C ATOM 1686 C ARG A 110 -8.674 -0.353 9.896 1.00 0.00 C ATOM 1687 O ARG A 110 -9.800 -0.298 10.396 1.00 0.00 O ATOM 1688 CB ARG A 110 -8.037 -2.782 9.696 1.00 0.00 C ATOM 1689 CG ARG A 110 -7.882 -3.998 8.804 1.00 0.00 C ATOM 1690 CD ARG A 110 -9.063 -4.127 7.862 1.00 0.00 C ATOM 1691 NE ARG A 110 -9.025 -5.307 7.002 1.00 0.00 N ATOM 1692 CZ ARG A 110 -8.706 -5.329 5.698 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -8.604 -4.200 5.009 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -8.590 -6.489 5.062 1.00 0.00 N ATOM 0 H ARG A 110 -6.296 -1.590 8.212 1.00 0.00 H new ATOM 0 HA ARG A 110 -9.114 -1.678 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -7.138 -2.672 10.302 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -8.866 -2.952 10.383 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.959 -3.918 8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.799 -4.896 9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.980 -4.151 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.110 -3.237 7.235 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.264 -6.200 7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.768 -3.305 5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.361 -4.227 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.743 -7.363 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.348 -6.505 4.071 1.00 0.00 H new ATOM 1708 N SER A 111 -7.755 0.568 10.127 1.00 0.00 N ATOM 1709 CA SER A 111 -8.046 1.703 10.993 1.00 0.00 C ATOM 1710 C SER A 111 -8.719 2.945 10.314 1.00 0.00 C ATOM 1711 O SER A 111 -9.324 3.757 11.024 1.00 0.00 O ATOM 1712 CB SER A 111 -6.794 2.107 11.770 1.00 0.00 C ATOM 1713 OG SER A 111 -6.399 1.065 12.655 1.00 0.00 O ATOM 0 H SER A 111 -6.813 0.556 9.735 1.00 0.00 H new ATOM 0 HA SER A 111 -8.817 1.340 11.672 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.984 2.329 11.076 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.988 3.018 12.335 1.00 0.00 H new ATOM 0 HG SER A 111 -5.595 1.338 13.144 1.00 0.00 H new ATOM 1719 N TRP A 112 -8.665 3.112 8.976 1.00 0.00 N ATOM 1720 CA TRP A 112 -9.197 4.356 8.362 1.00 0.00 C ATOM 1721 C TRP A 112 -9.709 4.142 6.954 1.00 0.00 C ATOM 1722 O TRP A 112 -10.123 5.084 6.285 1.00 0.00 O ATOM 1723 CB TRP A 112 -8.099 5.446 8.330 1.00 0.00 C ATOM 1724 CG TRP A 112 -6.733 4.896 8.568 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -6.044 4.035 7.761 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -5.908 5.144 9.700 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -4.850 3.733 8.330 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -4.741 4.392 9.526 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -6.049 5.923 10.850 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -3.720 4.385 10.455 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -5.034 5.921 11.774 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -3.884 5.159 11.574 1.00 0.00 C ATOM 0 H TRP A 112 -8.276 2.435 8.320 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.037 4.672 8.981 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.120 5.949 7.363 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.319 6.200 9.086 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.396 3.653 6.814 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.145 3.113 7.931 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -6.938 6.515 11.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -2.829 3.794 10.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.128 6.518 12.669 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -3.103 5.179 12.319 1.00 0.00 H new ATOM 1743 N THR A 113 -9.752 2.917 6.536 1.00 0.00 N ATOM 1744 CA THR A 113 -10.052 2.624 5.164 1.00 0.00 C ATOM 1745 C THR A 113 -11.131 1.550 5.112 1.00 0.00 C ATOM 1746 O THR A 113 -12.294 1.828 4.853 1.00 0.00 O ATOM 1747 CB THR A 113 -8.779 2.101 4.459 1.00 0.00 C ATOM 1748 OG1 THR A 113 -7.651 2.948 4.735 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.967 2.008 2.969 1.00 0.00 C ATOM 0 H THR A 113 -9.583 2.100 7.123 1.00 0.00 H new ATOM 0 HA THR A 113 -10.401 3.527 4.662 1.00 0.00 H new ATOM 0 HB THR A 113 -8.591 1.103 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.959 3.868 4.876 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.051 1.637 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.787 1.325 2.748 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.199 2.995 2.569 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.720 0.349 5.439 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.491 -0.869 5.430 1.00 0.00 C ATOM 1759 C ASN A 114 -10.725 -1.780 6.260 1.00 0.00 C ATOM 1760 O ASN A 114 -11.233 -2.194 7.309 1.00 0.00 O ATOM 1761 CB ASN A 114 -11.645 -1.487 4.039 1.00 0.00 C ATOM 1762 CG ASN A 114 -13.009 -1.270 3.424 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -13.517 -2.136 2.736 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -13.592 -0.115 3.625 1.00 0.00 N ATOM 1765 OXT ASN A 114 -9.547 -1.975 5.928 1.00 0.00 O ATOM 0 H ASN A 114 -9.760 0.186 5.743 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.505 -0.672 5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.887 -1.066 3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.452 -2.558 4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.498 0.080 3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.140 0.590 4.207 1.00 0.00 H new TER 1772 ASN A 114