USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 887 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 71 ASN : amide:sc= 1.34 K(o=2,f=-3) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 139:sc= 0.645 (180deg=-0.258) USER MOD Set 2.1: A 63 GLN : amide:sc= -0.461 K(o=-0.24,f=0.55) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.0916 K(o=-0.24,f=-1.1) USER MOD Set 2.3: A 70 GLN : amide:sc= -0.194 K(o=-0.24,f=-1.2) USER MOD Set 2.4: A 112 HIS : no HD1:sc= 0.507 K(o=-0.24,f=-3.7!) USER MOD Set 3.1: A 36 SER OG : rot 180:sc= 0.237 USER MOD Set 3.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 19 GLN : amide:sc= -0.268 K(o=0.39,f=-1) USER MOD Set 4.2: A 33 THR OG1 : rot -131:sc= 0.654 USER MOD Set 4.3: A 59 ASN : amide:sc= 0 K(o=0.39,f=-0.88) USER MOD Set 5.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 13 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.3 (180deg=-0.265) USER MOD Single : A 3 LYS NZ :NH3+ -128:sc= -0.906 (180deg=-3.49!) USER MOD Single : A 9 SER OG : rot -109:sc= -0.263 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00303 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 69:sc= 0.847 USER MOD Single : A 23 LYS NZ :NH3+ 143:sc= 0.654 (180deg=0.0449) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 26 TYR OH : rot -122:sc= 0.588 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.0841 X(o=0.084,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 150:sc= 0 USER MOD Single : A 47 MET CE :methyl 178:sc= -0.607 (180deg=-0.648) USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= 0.989 (180deg=-0.895) USER MOD Single : A 50 ASN : amide:sc= -0.693 K(o=-0.69,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ -154:sc= 0.686 (180deg=0.294) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 1.15 (180deg=0.927) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 168:sc= 0.209 USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= -0.0347 (180deg=-0.22) USER MOD Single : A 85 SER OG : rot 163:sc= 0.418 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.577 USER MOD Single : A 93 GLN : amide:sc= -0.988 K(o=-0.99,f=-0.26) USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= -0.0657 (180deg=-0.469) USER MOD Single : A 101 THR OG1 : rot -142:sc= 0.769 USER MOD Single : A 104 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 108 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.47) USER MOD Single : A 109 HIS : no HD1:sc= 0.754 K(o=0.75,f=-3.7!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.647 15.715 0.949 1.00 24.44 N ATOM 2 CA MET A 1 -0.874 14.698 0.188 1.00 0.35 C ATOM 3 C MET A 1 0.328 14.219 1.025 1.00 75.34 C ATOM 4 O MET A 1 0.283 14.282 2.262 1.00 51.21 O ATOM 5 CB MET A 1 -0.434 15.290 -1.187 1.00 33.34 C ATOM 6 CG MET A 1 -1.594 15.781 -2.065 1.00 63.44 C ATOM 7 SD MET A 1 -2.916 14.557 -2.189 1.00 12.52 S ATOM 8 CE MET A 1 -3.960 15.246 -3.472 1.00 10.43 C ATOM 0 H1 MET A 1 -2.664 15.579 0.776 1.00 24.44 H new ATOM 0 H2 MET A 1 -1.452 15.611 1.965 1.00 24.44 H new ATOM 0 H3 MET A 1 -1.367 16.667 0.639 1.00 24.44 H new ATOM 0 HA MET A 1 -1.500 13.829 -0.013 1.00 0.35 H new ATOM 0 HB2 MET A 1 0.249 16.121 -1.010 1.00 33.34 H new ATOM 0 HB3 MET A 1 0.124 14.530 -1.734 1.00 33.34 H new ATOM 0 HG2 MET A 1 -1.995 16.706 -1.651 1.00 63.44 H new ATOM 0 HG3 MET A 1 -1.220 16.013 -3.062 1.00 63.44 H new ATOM 0 HE1 MET A 1 -4.810 14.586 -3.643 1.00 10.43 H new ATOM 0 HE2 MET A 1 -4.319 16.227 -3.161 1.00 10.43 H new ATOM 0 HE3 MET A 1 -3.387 15.345 -4.394 1.00 10.43 H new ATOM 20 N GLY A 2 1.371 13.678 0.354 1.00 71.42 N ATOM 21 CA GLY A 2 2.652 13.368 1.000 1.00 21.51 C ATOM 22 C GLY A 2 2.703 12.019 1.692 1.00 75.51 C ATOM 23 O GLY A 2 3.634 11.769 2.466 1.00 11.12 O ATOM 0 H GLY A 2 1.342 13.449 -0.640 1.00 71.42 H new ATOM 0 HA2 GLY A 2 3.441 13.406 0.249 1.00 21.51 H new ATOM 0 HA3 GLY A 2 2.872 14.145 1.732 1.00 21.51 H new ATOM 27 N LYS A 3 1.723 11.131 1.409 1.00 44.53 N ATOM 28 CA LYS A 3 1.652 9.810 2.061 1.00 71.23 C ATOM 29 C LYS A 3 1.175 8.693 1.127 1.00 2.21 C ATOM 30 O LYS A 3 0.757 8.925 -0.008 1.00 23.41 O ATOM 31 CB LYS A 3 0.789 9.835 3.351 1.00 4.52 C ATOM 32 CG LYS A 3 -0.636 10.422 3.222 1.00 51.10 C ATOM 33 CD LYS A 3 -1.569 9.940 4.371 1.00 51.30 C ATOM 34 CE LYS A 3 -0.954 10.070 5.776 1.00 71.41 C ATOM 35 NZ LYS A 3 -1.836 9.470 6.816 1.00 65.22 N ATOM 0 H LYS A 3 0.976 11.307 0.737 1.00 44.53 H new ATOM 0 HA LYS A 3 2.681 9.580 2.338 1.00 71.23 H new ATOM 0 HB2 LYS A 3 0.704 8.814 3.723 1.00 4.52 H new ATOM 0 HB3 LYS A 3 1.325 10.407 4.108 1.00 4.52 H new ATOM 0 HG2 LYS A 3 -0.582 11.511 3.231 1.00 51.10 H new ATOM 0 HG3 LYS A 3 -1.063 10.132 2.262 1.00 51.10 H new ATOM 0 HD2 LYS A 3 -2.495 10.513 4.337 1.00 51.30 H new ATOM 0 HD3 LYS A 3 -1.833 8.897 4.197 1.00 51.30 H new ATOM 0 HE2 LYS A 3 0.019 9.579 5.795 1.00 71.41 H new ATOM 0 HE3 LYS A 3 -0.785 11.122 6.004 1.00 71.41 H new ATOM 0 HZ1 LYS A 3 -1.996 10.161 7.577 1.00 65.22 H new ATOM 0 HZ2 LYS A 3 -2.747 9.208 6.389 1.00 65.22 H new ATOM 0 HZ3 LYS A 3 -1.381 8.621 7.209 1.00 65.22 H new ATOM 49 N VAL A 4 1.240 7.466 1.667 1.00 5.44 N ATOM 50 CA VAL A 4 0.931 6.223 0.955 1.00 43.25 C ATOM 51 C VAL A 4 0.182 5.255 1.893 1.00 10.40 C ATOM 52 O VAL A 4 0.424 5.242 3.096 1.00 21.23 O ATOM 53 CB VAL A 4 2.250 5.570 0.417 1.00 35.12 C ATOM 54 CG1 VAL A 4 3.262 5.321 1.543 1.00 13.50 C ATOM 55 CG2 VAL A 4 1.969 4.281 -0.371 1.00 21.51 C ATOM 0 H VAL A 4 1.516 7.310 2.636 1.00 5.44 H new ATOM 0 HA VAL A 4 0.288 6.446 0.103 1.00 43.25 H new ATOM 0 HB VAL A 4 2.697 6.285 -0.274 1.00 35.12 H new ATOM 0 HG11 VAL A 4 4.163 4.867 1.129 1.00 13.50 H new ATOM 0 HG12 VAL A 4 3.518 6.268 2.018 1.00 13.50 H new ATOM 0 HG13 VAL A 4 2.825 4.650 2.283 1.00 13.50 H new ATOM 0 HG21 VAL A 4 2.909 3.860 -0.727 1.00 21.51 H new ATOM 0 HG22 VAL A 4 1.470 3.560 0.277 1.00 21.51 H new ATOM 0 HG23 VAL A 4 1.328 4.508 -1.223 1.00 21.51 H new ATOM 65 N LEU A 5 -0.746 4.465 1.330 1.00 41.45 N ATOM 66 CA LEU A 5 -1.544 3.491 2.082 1.00 74.23 C ATOM 67 C LEU A 5 -0.940 2.096 1.895 1.00 34.54 C ATOM 68 O LEU A 5 -1.139 1.458 0.855 1.00 43.33 O ATOM 69 CB LEU A 5 -3.021 3.514 1.606 1.00 74.23 C ATOM 70 CG LEU A 5 -4.021 2.634 2.424 1.00 61.42 C ATOM 71 CD1 LEU A 5 -4.086 3.078 3.898 1.00 63.21 C ATOM 72 CD2 LEU A 5 -5.423 2.630 1.772 1.00 23.35 C ATOM 0 H LEU A 5 -0.963 4.486 0.334 1.00 41.45 H new ATOM 0 HA LEU A 5 -1.529 3.752 3.140 1.00 74.23 H new ATOM 0 HB2 LEU A 5 -3.373 4.545 1.630 1.00 74.23 H new ATOM 0 HB3 LEU A 5 -3.051 3.191 0.566 1.00 74.23 H new ATOM 0 HG LEU A 5 -3.648 1.610 2.410 1.00 61.42 H new ATOM 0 HD11 LEU A 5 -4.790 2.445 4.438 1.00 63.21 H new ATOM 0 HD12 LEU A 5 -3.098 2.988 4.349 1.00 63.21 H new ATOM 0 HD13 LEU A 5 -4.416 4.116 3.951 1.00 63.21 H new ATOM 0 HD21 LEU A 5 -6.097 2.010 2.363 1.00 23.35 H new ATOM 0 HD22 LEU A 5 -5.809 3.649 1.732 1.00 23.35 H new ATOM 0 HD23 LEU A 5 -5.353 2.229 0.761 1.00 23.35 H new ATOM 84 N LEU A 6 -0.151 1.668 2.878 1.00 30.34 N ATOM 85 CA LEU A 6 0.427 0.327 2.917 1.00 50.21 C ATOM 86 C LEU A 6 -0.678 -0.689 3.306 1.00 30.24 C ATOM 87 O LEU A 6 -0.937 -0.923 4.492 1.00 74.43 O ATOM 88 CB LEU A 6 1.612 0.326 3.935 1.00 71.24 C ATOM 89 CG LEU A 6 2.469 -0.974 4.018 1.00 4.35 C ATOM 90 CD1 LEU A 6 3.107 -1.314 2.660 1.00 23.23 C ATOM 91 CD2 LEU A 6 3.537 -0.864 5.137 1.00 65.34 C ATOM 0 H LEU A 6 0.107 2.247 3.677 1.00 30.34 H new ATOM 0 HA LEU A 6 0.816 0.035 1.942 1.00 50.21 H new ATOM 0 HB2 LEU A 6 2.275 1.154 3.685 1.00 71.24 H new ATOM 0 HB3 LEU A 6 1.208 0.530 4.927 1.00 71.24 H new ATOM 0 HG LEU A 6 1.802 -1.797 4.276 1.00 4.35 H new ATOM 0 HD11 LEU A 6 3.697 -2.226 2.753 1.00 23.23 H new ATOM 0 HD12 LEU A 6 2.323 -1.464 1.917 1.00 23.23 H new ATOM 0 HD13 LEU A 6 3.753 -0.494 2.346 1.00 23.23 H new ATOM 0 HD21 LEU A 6 4.121 -1.783 5.174 1.00 65.34 H new ATOM 0 HD22 LEU A 6 4.198 -0.023 4.928 1.00 65.34 H new ATOM 0 HD23 LEU A 6 3.044 -0.709 6.097 1.00 65.34 H new ATOM 103 N VAL A 7 -1.354 -1.232 2.274 1.00 62.12 N ATOM 104 CA VAL A 7 -2.418 -2.244 2.424 1.00 74.01 C ATOM 105 C VAL A 7 -1.783 -3.629 2.581 1.00 51.42 C ATOM 106 O VAL A 7 -1.239 -4.194 1.619 1.00 11.32 O ATOM 107 CB VAL A 7 -3.410 -2.263 1.195 1.00 4.31 C ATOM 108 CG1 VAL A 7 -4.592 -3.244 1.428 1.00 53.00 C ATOM 109 CG2 VAL A 7 -3.908 -0.843 0.863 1.00 22.54 C ATOM 0 H VAL A 7 -1.174 -0.977 1.303 1.00 62.12 H new ATOM 0 HA VAL A 7 -2.996 -1.981 3.310 1.00 74.01 H new ATOM 0 HB VAL A 7 -2.857 -2.630 0.330 1.00 4.31 H new ATOM 0 HG11 VAL A 7 -5.253 -3.230 0.561 1.00 53.00 H new ATOM 0 HG12 VAL A 7 -4.205 -4.253 1.572 1.00 53.00 H new ATOM 0 HG13 VAL A 7 -5.149 -2.939 2.314 1.00 53.00 H new ATOM 0 HG21 VAL A 7 -4.589 -0.886 0.013 1.00 22.54 H new ATOM 0 HG22 VAL A 7 -4.430 -0.429 1.726 1.00 22.54 H new ATOM 0 HG23 VAL A 7 -3.058 -0.208 0.615 1.00 22.54 H new ATOM 119 N ILE A 8 -1.846 -4.152 3.805 1.00 55.24 N ATOM 120 CA ILE A 8 -1.235 -5.419 4.186 1.00 25.25 C ATOM 121 C ILE A 8 -2.331 -6.439 4.509 1.00 2.33 C ATOM 122 O ILE A 8 -3.189 -6.198 5.371 1.00 54.53 O ATOM 123 CB ILE A 8 -0.309 -5.257 5.446 1.00 50.24 C ATOM 124 CG1 ILE A 8 0.633 -4.027 5.292 1.00 34.02 C ATOM 125 CG2 ILE A 8 0.501 -6.557 5.701 1.00 52.05 C ATOM 126 CD1 ILE A 8 1.479 -3.724 6.506 1.00 50.41 C ATOM 0 H ILE A 8 -2.335 -3.694 4.574 1.00 55.24 H new ATOM 0 HA ILE A 8 -0.626 -5.761 3.349 1.00 25.25 H new ATOM 0 HB ILE A 8 -0.943 -5.080 6.315 1.00 50.24 H new ATOM 0 HG12 ILE A 8 1.292 -4.195 4.440 1.00 34.02 H new ATOM 0 HG13 ILE A 8 0.028 -3.150 5.059 1.00 34.02 H new ATOM 0 HG21 ILE A 8 1.136 -6.424 6.577 1.00 52.05 H new ATOM 0 HG22 ILE A 8 -0.186 -7.386 5.873 1.00 52.05 H new ATOM 0 HG23 ILE A 8 1.123 -6.775 4.832 1.00 52.05 H new ATOM 0 HD11 ILE A 8 2.102 -2.852 6.307 1.00 50.41 H new ATOM 0 HD12 ILE A 8 0.832 -3.520 7.359 1.00 50.41 H new ATOM 0 HD13 ILE A 8 2.114 -4.581 6.730 1.00 50.41 H new ATOM 138 N SER A 9 -2.288 -7.560 3.801 1.00 2.32 N ATOM 139 CA SER A 9 -3.074 -8.749 4.093 1.00 53.11 C ATOM 140 C SER A 9 -2.148 -9.953 3.918 1.00 41.32 C ATOM 141 O SER A 9 -1.272 -9.955 3.037 1.00 21.54 O ATOM 142 CB SER A 9 -4.304 -8.842 3.157 1.00 34.14 C ATOM 143 OG SER A 9 -5.031 -10.050 3.339 1.00 71.23 O ATOM 0 H SER A 9 -1.687 -7.669 2.984 1.00 2.32 H new ATOM 0 HA SER A 9 -3.463 -8.715 5.111 1.00 53.11 H new ATOM 0 HB2 SER A 9 -4.963 -7.993 3.341 1.00 34.14 H new ATOM 0 HB3 SER A 9 -3.975 -8.771 2.120 1.00 34.14 H new ATOM 0 HG SER A 9 -4.903 -10.629 2.559 1.00 71.23 H new ATOM 149 N THR A 10 -2.311 -10.947 4.786 1.00 13.15 N ATOM 150 CA THR A 10 -1.572 -12.210 4.702 1.00 34.33 C ATOM 151 C THR A 10 -2.234 -13.140 3.666 1.00 4.25 C ATOM 152 O THR A 10 -1.605 -14.074 3.157 1.00 33.33 O ATOM 153 CB THR A 10 -1.514 -12.888 6.103 1.00 34.11 C ATOM 154 OG1 THR A 10 -2.850 -13.029 6.619 1.00 65.44 O ATOM 155 CG2 THR A 10 -0.668 -12.063 7.101 1.00 22.15 C ATOM 0 H THR A 10 -2.961 -10.903 5.571 1.00 13.15 H new ATOM 0 HA THR A 10 -0.551 -12.009 4.378 1.00 34.33 H new ATOM 0 HB THR A 10 -1.044 -13.865 5.986 1.00 34.11 H new ATOM 0 HG1 THR A 10 -2.817 -13.457 7.500 1.00 65.44 H new ATOM 0 HG21 THR A 10 -0.651 -12.567 8.067 1.00 22.15 H new ATOM 0 HG22 THR A 10 0.350 -11.968 6.723 1.00 22.15 H new ATOM 0 HG23 THR A 10 -1.106 -11.072 7.217 1.00 22.15 H new ATOM 163 N ASP A 11 -3.517 -12.853 3.362 1.00 61.41 N ATOM 164 CA ASP A 11 -4.308 -13.605 2.383 1.00 63.51 C ATOM 165 C ASP A 11 -4.219 -12.904 1.011 1.00 53.54 C ATOM 166 O ASP A 11 -4.680 -11.767 0.860 1.00 11.12 O ATOM 167 CB ASP A 11 -5.783 -13.727 2.848 1.00 61.45 C ATOM 168 CG ASP A 11 -6.582 -14.724 1.991 1.00 33.33 C ATOM 169 OD1 ASP A 11 -7.067 -14.352 0.909 1.00 13.41 O ATOM 170 OD2 ASP A 11 -6.684 -15.906 2.374 1.00 34.53 O ATOM 0 H ASP A 11 -4.031 -12.086 3.796 1.00 61.41 H new ATOM 0 HA ASP A 11 -3.906 -14.614 2.294 1.00 63.51 H new ATOM 0 HB2 ASP A 11 -5.808 -14.045 3.890 1.00 61.45 H new ATOM 0 HB3 ASP A 11 -6.259 -12.748 2.802 1.00 61.45 H new ATOM 175 N THR A 12 -3.639 -13.610 0.025 1.00 21.30 N ATOM 176 CA THR A 12 -3.362 -13.075 -1.325 1.00 31.33 C ATOM 177 C THR A 12 -4.642 -12.883 -2.165 1.00 72.43 C ATOM 178 O THR A 12 -4.680 -12.028 -3.061 1.00 10.32 O ATOM 179 CB THR A 12 -2.375 -14.018 -2.085 1.00 41.03 C ATOM 180 OG1 THR A 12 -2.909 -15.354 -2.120 1.00 40.21 O ATOM 181 CG2 THR A 12 -0.983 -14.037 -1.426 1.00 34.10 C ATOM 0 H THR A 12 -3.345 -14.580 0.142 1.00 21.30 H new ATOM 0 HA THR A 12 -2.912 -12.092 -1.187 1.00 31.33 H new ATOM 0 HB THR A 12 -2.262 -13.634 -3.099 1.00 41.03 H new ATOM 0 HG1 THR A 12 -2.288 -15.942 -2.599 1.00 40.21 H new ATOM 0 HG21 THR A 12 -0.326 -14.704 -1.984 1.00 34.10 H new ATOM 0 HG22 THR A 12 -0.565 -13.030 -1.429 1.00 34.10 H new ATOM 0 HG23 THR A 12 -1.072 -14.390 -0.399 1.00 34.10 H new ATOM 189 N ASN A 13 -5.681 -13.680 -1.855 1.00 43.42 N ATOM 190 CA ASN A 13 -6.968 -13.658 -2.581 1.00 23.21 C ATOM 191 C ASN A 13 -7.717 -12.351 -2.274 1.00 22.42 C ATOM 192 O ASN A 13 -8.313 -11.747 -3.170 1.00 21.12 O ATOM 193 CB ASN A 13 -7.835 -14.895 -2.188 1.00 71.44 C ATOM 194 CG ASN A 13 -7.198 -16.253 -2.527 1.00 60.14 C ATOM 195 OD1 ASN A 13 -5.981 -16.382 -2.674 1.00 23.11 O ATOM 196 ND2 ASN A 13 -8.017 -17.289 -2.596 1.00 73.45 N ATOM 0 H ASN A 13 -5.654 -14.358 -1.094 1.00 43.42 H new ATOM 0 HA ASN A 13 -6.773 -13.707 -3.652 1.00 23.21 H new ATOM 0 HB2 ASN A 13 -8.034 -14.858 -1.117 1.00 71.44 H new ATOM 0 HB3 ASN A 13 -8.798 -14.823 -2.693 1.00 71.44 H new ATOM 0 HD21 ASN A 13 -7.645 -18.222 -2.775 1.00 73.45 H new ATOM 0 HD22 ASN A 13 -9.020 -17.155 -2.471 1.00 73.45 H new ATOM 203 N ILE A 14 -7.640 -11.906 -0.995 1.00 73.31 N ATOM 204 CA ILE A 14 -8.257 -10.639 -0.547 1.00 13.34 C ATOM 205 C ILE A 14 -7.557 -9.447 -1.218 1.00 55.03 C ATOM 206 O ILE A 14 -8.222 -8.538 -1.715 1.00 4.22 O ATOM 207 CB ILE A 14 -8.211 -10.465 1.018 1.00 61.21 C ATOM 208 CG1 ILE A 14 -8.834 -11.696 1.747 1.00 43.45 C ATOM 209 CG2 ILE A 14 -8.909 -9.154 1.456 1.00 11.13 C ATOM 210 CD1 ILE A 14 -10.268 -12.053 1.363 1.00 72.32 C ATOM 0 H ILE A 14 -7.153 -12.411 -0.255 1.00 73.31 H new ATOM 0 HA ILE A 14 -9.306 -10.673 -0.842 1.00 13.34 H new ATOM 0 HB ILE A 14 -7.162 -10.402 1.308 1.00 61.21 H new ATOM 0 HG12 ILE A 14 -8.202 -12.563 1.555 1.00 43.45 H new ATOM 0 HG13 ILE A 14 -8.803 -11.510 2.821 1.00 43.45 H new ATOM 0 HG21 ILE A 14 -8.861 -9.061 2.541 1.00 11.13 H new ATOM 0 HG22 ILE A 14 -8.406 -8.303 0.997 1.00 11.13 H new ATOM 0 HG23 ILE A 14 -9.952 -9.173 1.139 1.00 11.13 H new ATOM 0 HD11 ILE A 14 -10.592 -12.923 1.934 1.00 72.32 H new ATOM 0 HD12 ILE A 14 -10.924 -11.211 1.583 1.00 72.32 H new ATOM 0 HD13 ILE A 14 -10.314 -12.280 0.298 1.00 72.32 H new ATOM 222 N ILE A 15 -6.204 -9.492 -1.244 1.00 0.21 N ATOM 223 CA ILE A 15 -5.368 -8.472 -1.920 1.00 52.33 C ATOM 224 C ILE A 15 -5.779 -8.347 -3.396 1.00 53.12 C ATOM 225 O ILE A 15 -6.013 -7.251 -3.878 1.00 73.24 O ATOM 226 CB ILE A 15 -3.834 -8.829 -1.828 1.00 3.23 C ATOM 227 CG1 ILE A 15 -3.402 -8.971 -0.342 1.00 52.33 C ATOM 228 CG2 ILE A 15 -2.954 -7.781 -2.565 1.00 63.31 C ATOM 229 CD1 ILE A 15 -2.040 -9.600 -0.128 1.00 0.21 C ATOM 0 H ILE A 15 -5.663 -10.233 -0.799 1.00 0.21 H new ATOM 0 HA ILE A 15 -5.529 -7.521 -1.412 1.00 52.33 H new ATOM 0 HB ILE A 15 -3.683 -9.785 -2.329 1.00 3.23 H new ATOM 0 HG12 ILE A 15 -3.405 -7.983 0.118 1.00 52.33 H new ATOM 0 HG13 ILE A 15 -4.148 -9.569 0.182 1.00 52.33 H new ATOM 0 HG21 ILE A 15 -1.904 -8.062 -2.479 1.00 63.31 H new ATOM 0 HG22 ILE A 15 -3.235 -7.746 -3.618 1.00 63.31 H new ATOM 0 HG23 ILE A 15 -3.105 -6.799 -2.116 1.00 63.31 H new ATOM 0 HD11 ILE A 15 -1.829 -9.656 0.940 1.00 0.21 H new ATOM 0 HD12 ILE A 15 -2.032 -10.604 -0.552 1.00 0.21 H new ATOM 0 HD13 ILE A 15 -1.278 -8.993 -0.618 1.00 0.21 H new ATOM 241 N SER A 16 -5.928 -9.509 -4.061 1.00 64.43 N ATOM 242 CA SER A 16 -6.291 -9.591 -5.486 1.00 43.52 C ATOM 243 C SER A 16 -7.699 -9.010 -5.742 1.00 44.14 C ATOM 244 O SER A 16 -7.926 -8.339 -6.758 1.00 55.13 O ATOM 245 CB SER A 16 -6.209 -11.066 -5.948 1.00 0.24 C ATOM 246 OG SER A 16 -6.433 -11.198 -7.342 1.00 63.31 O ATOM 0 H SER A 16 -5.799 -10.420 -3.621 1.00 64.43 H new ATOM 0 HA SER A 16 -5.588 -8.992 -6.064 1.00 43.52 H new ATOM 0 HB2 SER A 16 -5.228 -11.470 -5.698 1.00 0.24 H new ATOM 0 HB3 SER A 16 -6.946 -11.658 -5.405 1.00 0.24 H new ATOM 0 HG SER A 16 -6.372 -12.143 -7.595 1.00 63.31 H new ATOM 252 N SER A 17 -8.634 -9.262 -4.794 1.00 4.33 N ATOM 253 CA SER A 17 -10.008 -8.745 -4.870 1.00 61.11 C ATOM 254 C SER A 17 -10.005 -7.207 -4.827 1.00 63.34 C ATOM 255 O SER A 17 -10.414 -6.550 -5.784 1.00 44.44 O ATOM 256 CB SER A 17 -10.870 -9.316 -3.719 1.00 4.32 C ATOM 257 OG SER A 17 -10.933 -10.733 -3.770 1.00 4.01 O ATOM 0 H SER A 17 -8.452 -9.826 -3.964 1.00 4.33 H new ATOM 0 HA SER A 17 -10.444 -9.065 -5.816 1.00 61.11 H new ATOM 0 HB2 SER A 17 -10.453 -9.004 -2.761 1.00 4.32 H new ATOM 0 HB3 SER A 17 -11.877 -8.904 -3.778 1.00 4.32 H new ATOM 0 HG SER A 17 -10.053 -11.108 -3.555 1.00 4.01 H new ATOM 263 N VAL A 18 -9.451 -6.661 -3.735 1.00 33.45 N ATOM 264 CA VAL A 18 -9.492 -5.220 -3.436 1.00 20.31 C ATOM 265 C VAL A 18 -8.665 -4.407 -4.443 1.00 60.31 C ATOM 266 O VAL A 18 -9.078 -3.323 -4.842 1.00 31.33 O ATOM 267 CB VAL A 18 -8.967 -4.926 -1.985 1.00 72.55 C ATOM 268 CG1 VAL A 18 -9.107 -3.427 -1.623 1.00 2.03 C ATOM 269 CG2 VAL A 18 -9.682 -5.822 -0.957 1.00 12.11 C ATOM 0 H VAL A 18 -8.959 -7.209 -3.029 1.00 33.45 H new ATOM 0 HA VAL A 18 -10.536 -4.916 -3.511 1.00 20.31 H new ATOM 0 HB VAL A 18 -7.904 -5.164 -1.958 1.00 72.55 H new ATOM 0 HG11 VAL A 18 -8.734 -3.260 -0.612 1.00 2.03 H new ATOM 0 HG12 VAL A 18 -8.529 -2.827 -2.326 1.00 2.03 H new ATOM 0 HG13 VAL A 18 -10.156 -3.137 -1.675 1.00 2.03 H new ATOM 0 HG21 VAL A 18 -9.304 -5.603 0.042 1.00 12.11 H new ATOM 0 HG22 VAL A 18 -10.754 -5.629 -0.990 1.00 12.11 H new ATOM 0 HG23 VAL A 18 -9.494 -6.869 -1.194 1.00 12.11 H new ATOM 279 N GLN A 19 -7.512 -4.964 -4.854 1.00 71.42 N ATOM 280 CA GLN A 19 -6.542 -4.283 -5.734 1.00 13.41 C ATOM 281 C GLN A 19 -7.154 -4.003 -7.109 1.00 64.13 C ATOM 282 O GLN A 19 -7.202 -2.850 -7.540 1.00 34.01 O ATOM 283 CB GLN A 19 -5.260 -5.143 -5.864 1.00 35.12 C ATOM 284 CG GLN A 19 -4.107 -4.516 -6.662 1.00 62.52 C ATOM 285 CD GLN A 19 -2.828 -5.367 -6.672 1.00 4.32 C ATOM 286 OE1 GLN A 19 -2.076 -5.361 -7.641 1.00 72.11 O ATOM 287 NE2 GLN A 19 -2.544 -6.089 -5.585 1.00 61.21 N ATOM 0 H GLN A 19 -7.224 -5.905 -4.584 1.00 71.42 H new ATOM 0 HA GLN A 19 -6.278 -3.323 -5.290 1.00 13.41 H new ATOM 0 HB2 GLN A 19 -4.898 -5.374 -4.862 1.00 35.12 H new ATOM 0 HB3 GLN A 19 -5.527 -6.090 -6.333 1.00 35.12 H new ATOM 0 HG2 GLN A 19 -4.434 -4.355 -7.689 1.00 62.52 H new ATOM 0 HG3 GLN A 19 -3.878 -3.536 -6.243 1.00 62.52 H new ATOM 0 HE21 GLN A 19 -3.180 -6.083 -4.788 1.00 61.21 H new ATOM 0 HE22 GLN A 19 -1.691 -6.647 -5.552 1.00 61.21 H new ATOM 296 N GLU A 20 -7.667 -5.059 -7.755 1.00 24.23 N ATOM 297 CA GLU A 20 -8.243 -4.963 -9.105 1.00 54.55 C ATOM 298 C GLU A 20 -9.549 -4.152 -9.104 1.00 52.31 C ATOM 299 O GLU A 20 -9.828 -3.408 -10.054 1.00 53.23 O ATOM 300 CB GLU A 20 -8.458 -6.375 -9.694 1.00 52.05 C ATOM 301 CG GLU A 20 -7.168 -7.215 -9.804 1.00 65.34 C ATOM 302 CD GLU A 20 -6.053 -6.514 -10.607 1.00 3.03 C ATOM 303 OE1 GLU A 20 -6.066 -6.578 -11.855 1.00 22.12 O ATOM 304 OE2 GLU A 20 -5.158 -5.893 -9.996 1.00 51.44 O ATOM 0 H GLU A 20 -7.695 -5.999 -7.360 1.00 24.23 H new ATOM 0 HA GLU A 20 -7.537 -4.429 -9.740 1.00 54.55 H new ATOM 0 HB2 GLU A 20 -9.176 -6.911 -9.073 1.00 52.05 H new ATOM 0 HB3 GLU A 20 -8.902 -6.280 -10.685 1.00 52.05 H new ATOM 0 HG2 GLU A 20 -6.800 -7.437 -8.802 1.00 65.34 H new ATOM 0 HG3 GLU A 20 -7.402 -8.169 -10.277 1.00 65.34 H new ATOM 311 N ARG A 21 -10.333 -4.284 -8.017 1.00 62.14 N ATOM 312 CA ARG A 21 -11.556 -3.489 -7.829 1.00 11.52 C ATOM 313 C ARG A 21 -11.207 -2.012 -7.586 1.00 3.33 C ATOM 314 O ARG A 21 -11.918 -1.144 -8.039 1.00 64.42 O ATOM 315 CB ARG A 21 -12.410 -4.028 -6.653 1.00 73.02 C ATOM 316 CG ARG A 21 -13.050 -5.414 -6.899 1.00 31.52 C ATOM 317 CD ARG A 21 -13.913 -5.860 -5.713 1.00 62.02 C ATOM 318 NE ARG A 21 -14.436 -7.228 -5.867 1.00 44.01 N ATOM 319 CZ ARG A 21 -15.424 -7.756 -5.129 1.00 52.45 C ATOM 320 NH1 ARG A 21 -16.011 -7.040 -4.169 1.00 31.45 N ATOM 321 NH2 ARG A 21 -15.811 -9.003 -5.347 1.00 52.33 N ATOM 0 H ARG A 21 -10.139 -4.935 -7.256 1.00 62.14 H new ATOM 0 HA ARG A 21 -12.144 -3.573 -8.743 1.00 11.52 H new ATOM 0 HB2 ARG A 21 -11.783 -4.086 -5.763 1.00 73.02 H new ATOM 0 HB3 ARG A 21 -13.202 -3.310 -6.439 1.00 73.02 H new ATOM 0 HG2 ARG A 21 -13.662 -5.377 -7.800 1.00 31.52 H new ATOM 0 HG3 ARG A 21 -12.266 -6.150 -7.076 1.00 31.52 H new ATOM 0 HD2 ARG A 21 -13.322 -5.803 -4.799 1.00 62.02 H new ATOM 0 HD3 ARG A 21 -14.747 -5.168 -5.597 1.00 62.02 H new ATOM 0 HE ARG A 21 -14.017 -7.817 -6.587 1.00 44.01 H new ATOM 0 HH11 ARG A 21 -15.710 -6.082 -3.991 1.00 31.45 H new ATOM 0 HH12 ARG A 21 -16.761 -7.450 -3.613 1.00 31.45 H new ATOM 0 HH21 ARG A 21 -15.358 -9.558 -6.073 1.00 52.33 H new ATOM 0 HH22 ARG A 21 -16.562 -9.409 -4.789 1.00 52.33 H new ATOM 335 N ALA A 22 -10.088 -1.742 -6.895 1.00 51.53 N ATOM 336 CA ALA A 22 -9.662 -0.364 -6.590 1.00 14.41 C ATOM 337 C ALA A 22 -9.254 0.366 -7.884 1.00 42.43 C ATOM 338 O ALA A 22 -9.722 1.474 -8.169 1.00 31.14 O ATOM 339 CB ALA A 22 -8.520 -0.353 -5.555 1.00 62.03 C ATOM 0 H ALA A 22 -9.460 -2.461 -6.536 1.00 51.53 H new ATOM 0 HA ALA A 22 -10.504 0.169 -6.149 1.00 14.41 H new ATOM 0 HB1 ALA A 22 -8.226 0.676 -5.349 1.00 62.03 H new ATOM 0 HB2 ALA A 22 -8.860 -0.825 -4.633 1.00 62.03 H new ATOM 0 HB3 ALA A 22 -7.666 -0.902 -5.950 1.00 62.03 H new ATOM 345 N LYS A 23 -8.433 -0.327 -8.681 1.00 70.20 N ATOM 346 CA LYS A 23 -7.894 0.166 -9.958 1.00 70.50 C ATOM 347 C LYS A 23 -9.015 0.474 -10.984 1.00 65.12 C ATOM 348 O LYS A 23 -8.920 1.449 -11.742 1.00 73.02 O ATOM 349 CB LYS A 23 -6.908 -0.902 -10.514 1.00 22.33 C ATOM 350 CG LYS A 23 -5.620 -1.109 -9.658 1.00 21.42 C ATOM 351 CD LYS A 23 -4.879 -2.430 -10.003 1.00 23.12 C ATOM 352 CE LYS A 23 -4.422 -2.511 -11.467 1.00 64.44 C ATOM 353 NZ LYS A 23 -3.938 -3.874 -11.832 1.00 50.31 N ATOM 0 H LYS A 23 -8.116 -1.269 -8.452 1.00 70.20 H new ATOM 0 HA LYS A 23 -7.372 1.107 -9.785 1.00 70.50 H new ATOM 0 HB2 LYS A 23 -7.432 -1.854 -10.593 1.00 22.33 H new ATOM 0 HB3 LYS A 23 -6.614 -0.615 -11.524 1.00 22.33 H new ATOM 0 HG2 LYS A 23 -4.945 -0.267 -9.814 1.00 21.42 H new ATOM 0 HG3 LYS A 23 -5.887 -1.112 -8.601 1.00 21.42 H new ATOM 0 HD2 LYS A 23 -4.010 -2.530 -9.353 1.00 23.12 H new ATOM 0 HD3 LYS A 23 -5.536 -3.273 -9.789 1.00 23.12 H new ATOM 0 HE2 LYS A 23 -5.250 -2.234 -12.120 1.00 64.44 H new ATOM 0 HE3 LYS A 23 -3.626 -1.787 -11.638 1.00 64.44 H new ATOM 0 HZ1 LYS A 23 -4.224 -4.094 -12.807 1.00 50.31 H new ATOM 0 HZ2 LYS A 23 -2.901 -3.905 -11.760 1.00 50.31 H new ATOM 0 HZ3 LYS A 23 -4.351 -4.574 -11.183 1.00 50.31 H new ATOM 367 N HIS A 24 -10.075 -0.366 -10.994 1.00 24.12 N ATOM 368 CA HIS A 24 -11.192 -0.241 -11.953 1.00 24.14 C ATOM 369 C HIS A 24 -12.299 0.710 -11.441 1.00 23.32 C ATOM 370 O HIS A 24 -12.691 1.646 -12.147 1.00 12.31 O ATOM 371 CB HIS A 24 -11.793 -1.633 -12.275 1.00 33.52 C ATOM 372 CG HIS A 24 -12.967 -1.575 -13.222 1.00 33.13 C ATOM 373 ND1 HIS A 24 -12.849 -1.118 -14.517 1.00 74.31 N ATOM 374 CD2 HIS A 24 -14.280 -1.872 -13.051 1.00 51.33 C ATOM 375 CE1 HIS A 24 -14.028 -1.139 -15.099 1.00 53.11 C ATOM 376 NE2 HIS A 24 -14.915 -1.588 -14.235 1.00 4.32 N ATOM 0 H HIS A 24 -10.178 -1.143 -10.342 1.00 24.12 H new ATOM 0 HA HIS A 24 -10.782 0.193 -12.865 1.00 24.14 H new ATOM 0 HB2 HIS A 24 -11.017 -2.264 -12.708 1.00 33.52 H new ATOM 0 HB3 HIS A 24 -12.108 -2.108 -11.346 1.00 33.52 H new ATOM 0 HD2 HIS A 24 -14.739 -2.259 -12.153 1.00 51.33 H new ATOM 0 HE1 HIS A 24 -14.234 -0.838 -16.116 1.00 53.11 H new ATOM 0 HE2 HIS A 24 -15.912 -1.706 -14.416 1.00 4.32 H new ATOM 385 N ASN A 25 -12.816 0.423 -10.228 1.00 53.42 N ATOM 386 CA ASN A 25 -13.943 1.172 -9.611 1.00 65.25 C ATOM 387 C ASN A 25 -13.592 2.657 -9.451 1.00 2.05 C ATOM 388 O ASN A 25 -14.390 3.530 -9.803 1.00 75.15 O ATOM 389 CB ASN A 25 -14.313 0.556 -8.229 1.00 3.41 C ATOM 390 CG ASN A 25 -15.487 1.232 -7.523 1.00 22.21 C ATOM 391 OD1 ASN A 25 -16.641 0.848 -7.702 1.00 53.02 O ATOM 392 ND2 ASN A 25 -15.205 2.238 -6.714 1.00 31.32 N ATOM 0 H ASN A 25 -12.466 -0.336 -9.643 1.00 53.42 H new ATOM 0 HA ASN A 25 -14.804 1.093 -10.274 1.00 65.25 H new ATOM 0 HB2 ASN A 25 -14.549 -0.499 -8.368 1.00 3.41 H new ATOM 0 HB3 ASN A 25 -13.439 0.604 -7.579 1.00 3.41 H new ATOM 0 HD21 ASN A 25 -15.955 2.719 -6.217 1.00 31.32 H new ATOM 0 HD22 ASN A 25 -14.237 2.534 -6.586 1.00 31.32 H new ATOM 399 N TYR A 26 -12.391 2.924 -8.919 1.00 24.30 N ATOM 400 CA TYR A 26 -11.899 4.288 -8.711 1.00 74.11 C ATOM 401 C TYR A 26 -11.117 4.727 -9.974 1.00 25.32 C ATOM 402 O TYR A 26 -10.215 4.003 -10.410 1.00 65.20 O ATOM 403 CB TYR A 26 -11.020 4.338 -7.438 1.00 21.42 C ATOM 404 CG TYR A 26 -11.725 3.828 -6.178 1.00 51.21 C ATOM 405 CD1 TYR A 26 -12.571 4.644 -5.444 1.00 4.12 C ATOM 406 CD2 TYR A 26 -11.558 2.516 -5.745 1.00 23.22 C ATOM 407 CE1 TYR A 26 -13.223 4.162 -4.328 1.00 62.21 C ATOM 408 CE2 TYR A 26 -12.198 2.031 -4.630 1.00 62.02 C ATOM 409 CZ TYR A 26 -13.033 2.853 -3.923 1.00 42.51 C ATOM 410 OH TYR A 26 -13.685 2.378 -2.802 1.00 42.43 O ATOM 0 H TYR A 26 -11.736 2.200 -8.622 1.00 24.30 H new ATOM 0 HA TYR A 26 -12.727 4.980 -8.559 1.00 74.11 H new ATOM 0 HB2 TYR A 26 -10.121 3.744 -7.605 1.00 21.42 H new ATOM 0 HB3 TYR A 26 -10.697 5.366 -7.271 1.00 21.42 H new ATOM 0 HD1 TYR A 26 -12.722 5.669 -5.749 1.00 4.12 H new ATOM 0 HD2 TYR A 26 -10.906 1.859 -6.302 1.00 23.22 H new ATOM 0 HE1 TYR A 26 -13.884 4.808 -3.769 1.00 62.21 H new ATOM 0 HE2 TYR A 26 -12.043 1.010 -4.314 1.00 62.02 H new ATOM 0 HH TYR A 26 -13.026 2.057 -2.151 1.00 42.43 H new ATOM 420 N PRO A 27 -11.441 5.923 -10.567 1.00 4.32 N ATOM 421 CA PRO A 27 -10.988 6.309 -11.929 1.00 0.50 C ATOM 422 C PRO A 27 -9.464 6.563 -12.041 1.00 30.15 C ATOM 423 O PRO A 27 -8.987 7.689 -11.816 1.00 65.32 O ATOM 424 CB PRO A 27 -11.829 7.579 -12.231 1.00 54.33 C ATOM 425 CG PRO A 27 -12.127 8.170 -10.884 1.00 43.10 C ATOM 426 CD PRO A 27 -12.275 6.992 -9.946 1.00 70.12 C ATOM 0 HA PRO A 27 -11.141 5.507 -12.651 1.00 0.50 H new ATOM 0 HB2 PRO A 27 -11.277 8.280 -12.857 1.00 54.33 H new ATOM 0 HB3 PRO A 27 -12.746 7.329 -12.765 1.00 54.33 H new ATOM 0 HG2 PRO A 27 -11.323 8.831 -10.559 1.00 43.10 H new ATOM 0 HG3 PRO A 27 -13.039 8.767 -10.911 1.00 43.10 H new ATOM 0 HD2 PRO A 27 -11.927 7.236 -8.942 1.00 70.12 H new ATOM 0 HD3 PRO A 27 -13.316 6.683 -9.856 1.00 70.12 H new ATOM 434 N GLY A 28 -8.722 5.472 -12.348 1.00 23.35 N ATOM 435 CA GLY A 28 -7.282 5.523 -12.628 1.00 13.40 C ATOM 436 C GLY A 28 -6.477 6.181 -11.524 1.00 74.54 C ATOM 437 O GLY A 28 -5.683 7.087 -11.779 1.00 55.01 O ATOM 0 H GLY A 28 -9.115 4.532 -12.406 1.00 23.35 H new ATOM 0 HA2 GLY A 28 -6.913 4.509 -12.782 1.00 13.40 H new ATOM 0 HA3 GLY A 28 -7.119 6.066 -13.559 1.00 13.40 H new ATOM 441 N ARG A 29 -6.710 5.733 -10.286 1.00 52.34 N ATOM 442 CA ARG A 29 -6.101 6.343 -9.093 1.00 74.11 C ATOM 443 C ARG A 29 -4.624 5.966 -8.944 1.00 73.32 C ATOM 444 O ARG A 29 -4.131 5.031 -9.591 1.00 73.13 O ATOM 445 CB ARG A 29 -6.895 5.959 -7.827 1.00 10.12 C ATOM 446 CG ARG A 29 -8.367 6.433 -7.801 1.00 63.15 C ATOM 447 CD ARG A 29 -8.555 7.959 -7.759 1.00 2.41 C ATOM 448 NE ARG A 29 -8.192 8.613 -9.023 1.00 41.43 N ATOM 449 CZ ARG A 29 -7.699 9.852 -9.148 1.00 44.22 C ATOM 450 NH1 ARG A 29 -7.495 10.629 -8.081 1.00 35.31 N ATOM 451 NH2 ARG A 29 -7.383 10.302 -10.350 1.00 0.14 N ATOM 0 H ARG A 29 -7.321 4.943 -10.080 1.00 52.34 H new ATOM 0 HA ARG A 29 -6.144 7.425 -9.221 1.00 74.11 H new ATOM 0 HB2 ARG A 29 -6.878 4.874 -7.723 1.00 10.12 H new ATOM 0 HB3 ARG A 29 -6.382 6.371 -6.958 1.00 10.12 H new ATOM 0 HG2 ARG A 29 -8.875 6.043 -8.683 1.00 63.15 H new ATOM 0 HG3 ARG A 29 -8.859 5.997 -6.931 1.00 63.15 H new ATOM 0 HD2 ARG A 29 -9.595 8.186 -7.524 1.00 2.41 H new ATOM 0 HD3 ARG A 29 -7.948 8.373 -6.954 1.00 2.41 H new ATOM 0 HE ARG A 29 -8.327 8.077 -9.880 1.00 41.43 H new ATOM 0 HH11 ARG A 29 -7.716 10.282 -7.148 1.00 35.31 H new ATOM 0 HH12 ARG A 29 -7.119 11.570 -8.200 1.00 35.31 H new ATOM 0 HH21 ARG A 29 -7.516 9.708 -11.168 1.00 0.14 H new ATOM 0 HH22 ARG A 29 -7.007 11.244 -10.459 1.00 0.14 H new ATOM 465 N GLU A 30 -3.938 6.709 -8.060 1.00 55.35 N ATOM 466 CA GLU A 30 -2.515 6.537 -7.788 1.00 41.54 C ATOM 467 C GLU A 30 -2.326 5.327 -6.865 1.00 62.24 C ATOM 468 O GLU A 30 -2.327 5.447 -5.640 1.00 10.22 O ATOM 469 CB GLU A 30 -1.929 7.844 -7.180 1.00 71.22 C ATOM 470 CG GLU A 30 -2.284 9.127 -7.958 1.00 22.45 C ATOM 471 CD GLU A 30 -1.943 9.045 -9.460 1.00 63.41 C ATOM 472 OE1 GLU A 30 -0.765 8.811 -9.801 1.00 0.43 O ATOM 473 OE2 GLU A 30 -2.847 9.214 -10.308 1.00 4.33 O ATOM 0 H GLU A 30 -4.368 7.453 -7.511 1.00 55.35 H new ATOM 0 HA GLU A 30 -1.970 6.344 -8.712 1.00 41.54 H new ATOM 0 HB2 GLU A 30 -2.287 7.945 -6.155 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -0.844 7.752 -7.131 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -3.349 9.329 -7.845 1.00 22.45 H new ATOM 0 HG3 GLU A 30 -1.751 9.970 -7.517 1.00 22.45 H new ATOM 480 N ILE A 31 -2.253 4.142 -7.483 1.00 20.54 N ATOM 481 CA ILE A 31 -2.162 2.854 -6.781 1.00 44.32 C ATOM 482 C ILE A 31 -0.901 2.109 -7.241 1.00 10.04 C ATOM 483 O ILE A 31 -0.636 2.006 -8.441 1.00 52.45 O ATOM 484 CB ILE A 31 -3.443 1.976 -7.048 1.00 23.41 C ATOM 485 CG1 ILE A 31 -4.723 2.712 -6.532 1.00 54.54 C ATOM 486 CG2 ILE A 31 -3.304 0.570 -6.411 1.00 11.45 C ATOM 487 CD1 ILE A 31 -6.029 2.002 -6.811 1.00 13.44 C ATOM 0 H ILE A 31 -2.255 4.048 -8.499 1.00 20.54 H new ATOM 0 HA ILE A 31 -2.102 3.042 -5.709 1.00 44.32 H new ATOM 0 HB ILE A 31 -3.543 1.834 -8.124 1.00 23.41 H new ATOM 0 HG12 ILE A 31 -4.630 2.858 -5.456 1.00 54.54 H new ATOM 0 HG13 ILE A 31 -4.762 3.702 -6.986 1.00 54.54 H new ATOM 0 HG21 ILE A 31 -4.204 -0.011 -6.613 1.00 11.45 H new ATOM 0 HG22 ILE A 31 -2.440 0.061 -6.838 1.00 11.45 H new ATOM 0 HG23 ILE A 31 -3.171 0.670 -5.334 1.00 11.45 H new ATOM 0 HD11 ILE A 31 -6.856 2.592 -6.415 1.00 13.44 H new ATOM 0 HD12 ILE A 31 -6.154 1.879 -7.887 1.00 13.44 H new ATOM 0 HD13 ILE A 31 -6.020 1.023 -6.333 1.00 13.44 H new ATOM 499 N ARG A 32 -0.126 1.617 -6.269 1.00 71.44 N ATOM 500 CA ARG A 32 1.082 0.815 -6.505 1.00 52.14 C ATOM 501 C ARG A 32 0.855 -0.623 -6.011 1.00 33.33 C ATOM 502 O ARG A 32 -0.180 -0.936 -5.398 1.00 23.32 O ATOM 503 CB ARG A 32 2.281 1.449 -5.758 1.00 45.24 C ATOM 504 CG ARG A 32 2.613 2.897 -6.174 1.00 65.45 C ATOM 505 CD ARG A 32 3.029 3.041 -7.651 1.00 65.33 C ATOM 506 NE ARG A 32 3.300 4.453 -8.006 1.00 12.20 N ATOM 507 CZ ARG A 32 4.349 4.899 -8.716 1.00 42.22 C ATOM 508 NH1 ARG A 32 5.263 4.063 -9.185 1.00 0.34 N ATOM 509 NH2 ARG A 32 4.472 6.193 -8.965 1.00 64.22 N ATOM 0 H ARG A 32 -0.323 1.767 -5.279 1.00 71.44 H new ATOM 0 HA ARG A 32 1.299 0.793 -7.573 1.00 52.14 H new ATOM 0 HB2 ARG A 32 2.074 1.432 -4.688 1.00 45.24 H new ATOM 0 HB3 ARG A 32 3.162 0.828 -5.922 1.00 45.24 H new ATOM 0 HG2 ARG A 32 1.743 3.527 -5.988 1.00 65.45 H new ATOM 0 HG3 ARG A 32 3.418 3.271 -5.542 1.00 65.45 H new ATOM 0 HD2 ARG A 32 3.919 2.441 -7.839 1.00 65.33 H new ATOM 0 HD3 ARG A 32 2.239 2.649 -8.292 1.00 65.33 H new ATOM 0 HE ARG A 32 2.629 5.150 -7.682 1.00 12.20 H new ATOM 0 HH11 ARG A 32 5.177 3.062 -9.009 1.00 0.34 H new ATOM 0 HH12 ARG A 32 6.053 4.420 -9.722 1.00 0.34 H new ATOM 0 HH21 ARG A 32 3.771 6.848 -8.618 1.00 64.22 H new ATOM 0 HH22 ARG A 32 5.267 6.535 -9.504 1.00 64.22 H new ATOM 523 N THR A 33 1.838 -1.486 -6.280 1.00 12.25 N ATOM 524 CA THR A 33 1.810 -2.896 -5.880 1.00 62.51 C ATOM 525 C THR A 33 3.249 -3.341 -5.556 1.00 73.35 C ATOM 526 O THR A 33 4.186 -2.970 -6.269 1.00 24.45 O ATOM 527 CB THR A 33 1.209 -3.776 -7.030 1.00 51.33 C ATOM 528 OG1 THR A 33 -0.057 -3.234 -7.463 1.00 35.52 O ATOM 529 CG2 THR A 33 1.007 -5.232 -6.595 1.00 3.13 C ATOM 0 H THR A 33 2.684 -1.224 -6.786 1.00 12.25 H new ATOM 0 HA THR A 33 1.180 -3.020 -4.999 1.00 62.51 H new ATOM 0 HB THR A 33 1.925 -3.761 -7.852 1.00 51.33 H new ATOM 0 HG1 THR A 33 -0.723 -3.951 -7.504 1.00 35.52 H new ATOM 0 HG21 THR A 33 0.589 -5.804 -7.423 1.00 3.13 H new ATOM 0 HG22 THR A 33 1.966 -5.661 -6.305 1.00 3.13 H new ATOM 0 HG23 THR A 33 0.322 -5.267 -5.748 1.00 3.13 H new ATOM 537 N ALA A 34 3.421 -4.118 -4.477 1.00 73.23 N ATOM 538 CA ALA A 34 4.737 -4.591 -4.031 1.00 44.22 C ATOM 539 C ALA A 34 4.678 -6.077 -3.678 1.00 74.02 C ATOM 540 O ALA A 34 3.828 -6.492 -2.893 1.00 41.33 O ATOM 541 CB ALA A 34 5.211 -3.764 -2.824 1.00 31.50 C ATOM 0 H ALA A 34 2.650 -4.436 -3.889 1.00 73.23 H new ATOM 0 HA ALA A 34 5.452 -4.463 -4.843 1.00 44.22 H new ATOM 0 HB1 ALA A 34 6.188 -4.121 -2.499 1.00 31.50 H new ATOM 0 HB2 ALA A 34 5.285 -2.714 -3.108 1.00 31.50 H new ATOM 0 HB3 ALA A 34 4.496 -3.869 -2.008 1.00 31.50 H new ATOM 547 N THR A 35 5.572 -6.875 -4.277 1.00 4.50 N ATOM 548 CA THR A 35 5.720 -8.299 -3.935 1.00 72.32 C ATOM 549 C THR A 35 6.757 -8.452 -2.805 1.00 2.41 C ATOM 550 O THR A 35 6.532 -9.171 -1.820 1.00 4.51 O ATOM 551 CB THR A 35 6.175 -9.137 -5.178 1.00 61.32 C ATOM 552 OG1 THR A 35 5.307 -8.878 -6.286 1.00 24.43 O ATOM 553 CG2 THR A 35 6.191 -10.653 -4.895 1.00 23.00 C ATOM 0 H THR A 35 6.209 -6.556 -5.007 1.00 4.50 H new ATOM 0 HA THR A 35 4.751 -8.673 -3.606 1.00 72.32 H new ATOM 0 HB THR A 35 7.195 -8.830 -5.411 1.00 61.32 H new ATOM 0 HG1 THR A 35 5.599 -9.404 -7.060 1.00 24.43 H new ATOM 0 HG21 THR A 35 6.513 -11.187 -5.789 1.00 23.00 H new ATOM 0 HG22 THR A 35 6.881 -10.863 -4.078 1.00 23.00 H new ATOM 0 HG23 THR A 35 5.190 -10.982 -4.618 1.00 23.00 H new ATOM 561 N SER A 36 7.890 -7.737 -2.956 1.00 53.21 N ATOM 562 CA SER A 36 9.052 -7.885 -2.071 1.00 63.24 C ATOM 563 C SER A 36 9.815 -6.546 -1.918 1.00 70.34 C ATOM 564 O SER A 36 9.365 -5.508 -2.421 1.00 71.11 O ATOM 565 CB SER A 36 9.960 -9.024 -2.619 1.00 2.31 C ATOM 566 OG SER A 36 10.973 -9.392 -1.693 1.00 20.34 O ATOM 0 H SER A 36 8.020 -7.044 -3.693 1.00 53.21 H new ATOM 0 HA SER A 36 8.719 -8.158 -1.070 1.00 63.24 H new ATOM 0 HB2 SER A 36 9.348 -9.895 -2.851 1.00 2.31 H new ATOM 0 HB3 SER A 36 10.422 -8.702 -3.552 1.00 2.31 H new ATOM 0 HG SER A 36 11.520 -10.110 -2.074 1.00 20.34 H new ATOM 572 N SER A 37 10.966 -6.601 -1.211 1.00 2.22 N ATOM 573 CA SER A 37 11.774 -5.436 -0.799 1.00 43.44 C ATOM 574 C SER A 37 12.284 -4.596 -1.981 1.00 34.54 C ATOM 575 O SER A 37 12.503 -3.396 -1.829 1.00 45.14 O ATOM 576 CB SER A 37 12.947 -5.933 0.058 1.00 34.12 C ATOM 577 OG SER A 37 13.707 -6.917 -0.630 1.00 50.32 O ATOM 0 H SER A 37 11.369 -7.486 -0.903 1.00 2.22 H new ATOM 0 HA SER A 37 11.130 -4.771 -0.224 1.00 43.44 H new ATOM 0 HB2 SER A 37 13.589 -5.093 0.322 1.00 34.12 H new ATOM 0 HB3 SER A 37 12.568 -6.350 0.991 1.00 34.12 H new ATOM 0 HG SER A 37 14.448 -7.214 -0.062 1.00 50.32 H new ATOM 583 N GLN A 38 12.467 -5.241 -3.148 1.00 74.34 N ATOM 584 CA GLN A 38 12.824 -4.559 -4.408 1.00 4.03 C ATOM 585 C GLN A 38 11.770 -3.489 -4.765 1.00 24.03 C ATOM 586 O GLN A 38 12.106 -2.326 -5.029 1.00 61.32 O ATOM 587 CB GLN A 38 12.961 -5.608 -5.547 1.00 11.11 C ATOM 588 CG GLN A 38 13.238 -5.047 -6.961 1.00 4.41 C ATOM 589 CD GLN A 38 14.507 -4.193 -7.071 1.00 35.11 C ATOM 590 OE1 GLN A 38 15.606 -4.712 -7.270 1.00 14.00 O ATOM 591 NE2 GLN A 38 14.362 -2.877 -6.986 1.00 42.43 N ATOM 0 H GLN A 38 12.371 -6.252 -3.245 1.00 74.34 H new ATOM 0 HA GLN A 38 13.780 -4.052 -4.282 1.00 4.03 H new ATOM 0 HB2 GLN A 38 13.767 -6.294 -5.286 1.00 11.11 H new ATOM 0 HB3 GLN A 38 12.043 -6.195 -5.585 1.00 11.11 H new ATOM 0 HG2 GLN A 38 13.315 -5.880 -7.660 1.00 4.41 H new ATOM 0 HG3 GLN A 38 12.384 -4.447 -7.273 1.00 4.41 H new ATOM 0 HE21 GLN A 38 13.439 -2.475 -6.821 1.00 42.43 H new ATOM 0 HE22 GLN A 38 15.173 -2.267 -7.086 1.00 42.43 H new ATOM 600 N ASP A 39 10.497 -3.909 -4.716 1.00 64.20 N ATOM 601 CA ASP A 39 9.343 -3.050 -5.025 1.00 65.33 C ATOM 602 C ASP A 39 9.180 -1.971 -3.942 1.00 21.34 C ATOM 603 O ASP A 39 8.995 -0.800 -4.254 1.00 52.12 O ATOM 604 CB ASP A 39 8.057 -3.897 -5.108 1.00 51.40 C ATOM 605 CG ASP A 39 8.161 -5.098 -6.060 1.00 52.53 C ATOM 606 OD1 ASP A 39 7.901 -4.934 -7.267 1.00 64.04 O ATOM 607 OD2 ASP A 39 8.509 -6.208 -5.594 1.00 2.43 O ATOM 0 H ASP A 39 10.237 -4.861 -4.459 1.00 64.20 H new ATOM 0 HA ASP A 39 9.517 -2.568 -5.987 1.00 65.33 H new ATOM 0 HB2 ASP A 39 7.807 -4.258 -4.110 1.00 51.40 H new ATOM 0 HB3 ASP A 39 7.234 -3.259 -5.432 1.00 51.40 H new ATOM 612 N ILE A 40 9.274 -2.416 -2.669 1.00 11.34 N ATOM 613 CA ILE A 40 9.231 -1.558 -1.463 1.00 23.41 C ATOM 614 C ILE A 40 10.157 -0.325 -1.621 1.00 64.53 C ATOM 615 O ILE A 40 9.706 0.823 -1.526 1.00 3.10 O ATOM 616 CB ILE A 40 9.667 -2.408 -0.198 1.00 43.42 C ATOM 617 CG1 ILE A 40 8.616 -3.521 0.158 1.00 21.33 C ATOM 618 CG2 ILE A 40 9.991 -1.526 1.022 1.00 42.41 C ATOM 619 CD1 ILE A 40 7.242 -3.028 0.586 1.00 24.44 C ATOM 0 H ILE A 40 9.385 -3.405 -2.446 1.00 11.34 H new ATOM 0 HA ILE A 40 8.212 -1.196 -1.329 1.00 23.41 H new ATOM 0 HB ILE A 40 10.592 -2.913 -0.476 1.00 43.42 H new ATOM 0 HG12 ILE A 40 8.494 -4.168 -0.710 1.00 21.33 H new ATOM 0 HG13 ILE A 40 9.025 -4.136 0.959 1.00 21.33 H new ATOM 0 HG21 ILE A 40 10.284 -2.158 1.860 1.00 42.41 H new ATOM 0 HG22 ILE A 40 10.809 -0.849 0.775 1.00 42.41 H new ATOM 0 HG23 ILE A 40 9.110 -0.946 1.296 1.00 42.41 H new ATOM 0 HD11 ILE A 40 6.601 -3.882 0.806 1.00 24.44 H new ATOM 0 HD12 ILE A 40 7.339 -2.408 1.477 1.00 24.44 H new ATOM 0 HD13 ILE A 40 6.799 -2.440 -0.218 1.00 24.44 H new ATOM 631 N ARG A 41 11.432 -0.606 -1.928 1.00 32.32 N ATOM 632 CA ARG A 41 12.483 0.409 -2.102 1.00 12.41 C ATOM 633 C ARG A 41 12.205 1.314 -3.316 1.00 51.31 C ATOM 634 O ARG A 41 12.386 2.532 -3.246 1.00 11.03 O ATOM 635 CB ARG A 41 13.840 -0.322 -2.280 1.00 34.42 C ATOM 636 CG ARG A 41 14.388 -0.971 -0.989 1.00 1.12 C ATOM 637 CD ARG A 41 15.037 0.052 -0.052 1.00 23.13 C ATOM 638 NE ARG A 41 16.204 0.684 -0.701 1.00 72.42 N ATOM 639 CZ ARG A 41 16.952 1.664 -0.182 1.00 72.43 C ATOM 640 NH1 ARG A 41 16.679 2.171 1.007 1.00 32.33 N ATOM 641 NH2 ARG A 41 17.985 2.133 -0.868 1.00 72.23 N ATOM 0 H ARG A 41 11.768 -1.559 -2.065 1.00 32.32 H new ATOM 0 HA ARG A 41 12.506 1.052 -1.222 1.00 12.41 H new ATOM 0 HB2 ARG A 41 13.726 -1.094 -3.041 1.00 34.42 H new ATOM 0 HB3 ARG A 41 14.576 0.389 -2.656 1.00 34.42 H new ATOM 0 HG2 ARG A 41 13.575 -1.475 -0.466 1.00 1.12 H new ATOM 0 HG3 ARG A 41 15.120 -1.735 -1.252 1.00 1.12 H new ATOM 0 HD2 ARG A 41 14.309 0.815 0.222 1.00 23.13 H new ATOM 0 HD3 ARG A 41 15.348 -0.438 0.871 1.00 23.13 H new ATOM 0 HE ARG A 41 16.462 0.343 -1.627 1.00 72.42 H new ATOM 0 HH11 ARG A 41 15.888 1.815 1.544 1.00 32.33 H new ATOM 0 HH12 ARG A 41 17.259 2.918 1.388 1.00 32.33 H new ATOM 0 HH21 ARG A 41 18.205 1.747 -1.786 1.00 72.23 H new ATOM 0 HH22 ARG A 41 18.559 2.880 -0.478 1.00 72.23 H new ATOM 655 N ASP A 42 11.744 0.683 -4.412 1.00 65.24 N ATOM 656 CA ASP A 42 11.506 1.351 -5.704 1.00 10.03 C ATOM 657 C ASP A 42 10.353 2.379 -5.627 1.00 73.21 C ATOM 658 O ASP A 42 10.421 3.445 -6.254 1.00 4.34 O ATOM 659 CB ASP A 42 11.198 0.286 -6.790 1.00 74.42 C ATOM 660 CG ASP A 42 11.170 0.872 -8.214 1.00 75.12 C ATOM 661 OD1 ASP A 42 12.226 0.902 -8.870 1.00 54.41 O ATOM 662 OD2 ASP A 42 10.101 1.297 -8.691 1.00 45.43 O ATOM 0 H ASP A 42 11.525 -0.313 -4.425 1.00 65.24 H new ATOM 0 HA ASP A 42 12.411 1.900 -5.966 1.00 10.03 H new ATOM 0 HB2 ASP A 42 11.949 -0.502 -6.742 1.00 74.42 H new ATOM 0 HB3 ASP A 42 10.235 -0.177 -6.574 1.00 74.42 H new ATOM 667 N ILE A 43 9.308 2.035 -4.851 1.00 35.52 N ATOM 668 CA ILE A 43 8.107 2.875 -4.673 1.00 65.33 C ATOM 669 C ILE A 43 8.432 4.098 -3.790 1.00 43.32 C ATOM 670 O ILE A 43 8.027 5.214 -4.115 1.00 43.12 O ATOM 671 CB ILE A 43 6.913 2.040 -4.064 1.00 34.01 C ATOM 672 CG1 ILE A 43 6.493 0.889 -5.043 1.00 2.05 C ATOM 673 CG2 ILE A 43 5.702 2.952 -3.721 1.00 33.31 C ATOM 674 CD1 ILE A 43 5.527 -0.132 -4.458 1.00 44.24 C ATOM 0 H ILE A 43 9.272 1.161 -4.326 1.00 35.52 H new ATOM 0 HA ILE A 43 7.793 3.232 -5.654 1.00 65.33 H new ATOM 0 HB ILE A 43 7.256 1.590 -3.133 1.00 34.01 H new ATOM 0 HG12 ILE A 43 6.037 1.333 -5.928 1.00 2.05 H new ATOM 0 HG13 ILE A 43 7.391 0.369 -5.375 1.00 2.05 H new ATOM 0 HG21 ILE A 43 4.897 2.347 -3.304 1.00 33.31 H new ATOM 0 HG22 ILE A 43 6.007 3.703 -2.992 1.00 33.31 H new ATOM 0 HG23 ILE A 43 5.352 3.447 -4.627 1.00 33.31 H new ATOM 0 HD11 ILE A 43 5.296 -0.887 -5.210 1.00 44.24 H new ATOM 0 HD12 ILE A 43 5.984 -0.610 -3.592 1.00 44.24 H new ATOM 0 HD13 ILE A 43 4.608 0.369 -4.153 1.00 44.24 H new ATOM 686 N ILE A 44 9.185 3.876 -2.689 1.00 23.40 N ATOM 687 CA ILE A 44 9.680 4.969 -1.815 1.00 42.50 C ATOM 688 C ILE A 44 10.605 5.914 -2.618 1.00 44.41 C ATOM 689 O ILE A 44 10.554 7.133 -2.455 1.00 43.21 O ATOM 690 CB ILE A 44 10.434 4.398 -0.551 1.00 42.33 C ATOM 691 CG1 ILE A 44 9.464 3.514 0.298 1.00 54.43 C ATOM 692 CG2 ILE A 44 11.060 5.531 0.319 1.00 31.12 C ATOM 693 CD1 ILE A 44 10.121 2.798 1.458 1.00 14.42 C ATOM 0 H ILE A 44 9.466 2.945 -2.382 1.00 23.40 H new ATOM 0 HA ILE A 44 8.819 5.534 -1.459 1.00 42.50 H new ATOM 0 HB ILE A 44 11.258 3.780 -0.906 1.00 42.33 H new ATOM 0 HG12 ILE A 44 8.662 4.144 0.683 1.00 54.43 H new ATOM 0 HG13 ILE A 44 9.002 2.774 -0.355 1.00 54.43 H new ATOM 0 HG21 ILE A 44 11.568 5.092 1.177 1.00 31.12 H new ATOM 0 HG22 ILE A 44 11.777 6.094 -0.278 1.00 31.12 H new ATOM 0 HG23 ILE A 44 10.273 6.200 0.667 1.00 31.12 H new ATOM 0 HD11 ILE A 44 9.375 2.209 1.991 1.00 14.42 H new ATOM 0 HD12 ILE A 44 10.904 2.139 1.082 1.00 14.42 H new ATOM 0 HD13 ILE A 44 10.558 3.530 2.137 1.00 14.42 H new ATOM 705 N LYS A 45 11.407 5.317 -3.530 1.00 13.20 N ATOM 706 CA LYS A 45 12.321 6.052 -4.433 1.00 3.43 C ATOM 707 C LYS A 45 11.493 6.879 -5.450 1.00 24.12 C ATOM 708 O LYS A 45 11.887 7.983 -5.829 1.00 11.00 O ATOM 709 CB LYS A 45 13.292 5.035 -5.131 1.00 43.41 C ATOM 710 CG LYS A 45 14.614 5.609 -5.733 1.00 74.14 C ATOM 711 CD LYS A 45 14.452 6.368 -7.073 1.00 54.41 C ATOM 712 CE LYS A 45 13.892 5.487 -8.198 1.00 21.04 C ATOM 713 NZ LYS A 45 13.718 6.255 -9.461 1.00 5.42 N ATOM 0 H LYS A 45 11.438 4.306 -3.660 1.00 13.20 H new ATOM 0 HA LYS A 45 12.934 6.755 -3.869 1.00 3.43 H new ATOM 0 HB2 LYS A 45 13.557 4.268 -4.404 1.00 43.41 H new ATOM 0 HB3 LYS A 45 12.743 4.539 -5.932 1.00 43.41 H new ATOM 0 HG2 LYS A 45 15.064 6.283 -5.004 1.00 74.14 H new ATOM 0 HG3 LYS A 45 15.314 4.787 -5.882 1.00 74.14 H new ATOM 0 HD2 LYS A 45 13.790 7.221 -6.923 1.00 54.41 H new ATOM 0 HD3 LYS A 45 15.420 6.766 -7.378 1.00 54.41 H new ATOM 0 HE2 LYS A 45 14.565 4.647 -8.372 1.00 21.04 H new ATOM 0 HE3 LYS A 45 12.933 5.069 -7.891 1.00 21.04 H new ATOM 0 HZ1 LYS A 45 13.338 5.628 -10.199 1.00 5.42 H new ATOM 0 HZ2 LYS A 45 13.057 7.042 -9.301 1.00 5.42 H new ATOM 0 HZ3 LYS A 45 14.637 6.633 -9.767 1.00 5.42 H new ATOM 727 N SER A 46 10.330 6.339 -5.866 1.00 54.21 N ATOM 728 CA SER A 46 9.376 7.052 -6.750 1.00 1.35 C ATOM 729 C SER A 46 8.723 8.241 -5.997 1.00 71.11 C ATOM 730 O SER A 46 8.475 9.305 -6.578 1.00 71.13 O ATOM 731 CB SER A 46 8.298 6.069 -7.290 1.00 61.20 C ATOM 732 OG SER A 46 7.436 6.690 -8.237 1.00 65.01 O ATOM 0 H SER A 46 10.024 5.402 -5.603 1.00 54.21 H new ATOM 0 HA SER A 46 9.923 7.454 -7.603 1.00 1.35 H new ATOM 0 HB2 SER A 46 8.788 5.212 -7.753 1.00 61.20 H new ATOM 0 HB3 SER A 46 7.707 5.687 -6.458 1.00 61.20 H new ATOM 0 HG SER A 46 7.122 6.022 -8.881 1.00 65.01 H new ATOM 738 N MET A 47 8.494 8.046 -4.678 1.00 51.13 N ATOM 739 CA MET A 47 7.935 9.079 -3.778 1.00 64.31 C ATOM 740 C MET A 47 9.005 10.118 -3.389 1.00 43.32 C ATOM 741 O MET A 47 8.673 11.208 -2.909 1.00 32.11 O ATOM 742 CB MET A 47 7.305 8.437 -2.509 1.00 43.42 C ATOM 743 CG MET A 47 6.169 7.443 -2.793 1.00 63.10 C ATOM 744 SD MET A 47 5.190 7.041 -1.329 1.00 14.34 S ATOM 745 CE MET A 47 4.364 8.606 -1.024 1.00 33.51 C ATOM 0 H MET A 47 8.693 7.163 -4.207 1.00 51.13 H new ATOM 0 HA MET A 47 7.145 9.596 -4.323 1.00 64.31 H new ATOM 0 HB2 MET A 47 8.088 7.924 -1.950 1.00 43.42 H new ATOM 0 HB3 MET A 47 6.923 9.231 -1.867 1.00 43.42 H new ATOM 0 HG2 MET A 47 5.513 7.860 -3.557 1.00 63.10 H new ATOM 0 HG3 MET A 47 6.592 6.525 -3.202 1.00 63.10 H new ATOM 0 HE1 MET A 47 3.695 8.504 -0.169 1.00 33.51 H new ATOM 0 HE2 MET A 47 5.107 9.375 -0.813 1.00 33.51 H new ATOM 0 HE3 MET A 47 3.787 8.891 -1.904 1.00 33.51 H new ATOM 755 N LYS A 48 10.294 9.759 -3.570 1.00 42.10 N ATOM 756 CA LYS A 48 11.418 10.701 -3.413 1.00 14.35 C ATOM 757 C LYS A 48 11.365 11.791 -4.493 1.00 42.54 C ATOM 758 O LYS A 48 11.727 12.945 -4.237 1.00 52.51 O ATOM 759 CB LYS A 48 12.781 9.952 -3.466 1.00 15.33 C ATOM 760 CG LYS A 48 13.100 9.067 -2.227 1.00 41.43 C ATOM 761 CD LYS A 48 13.845 9.813 -1.095 1.00 34.42 C ATOM 762 CE LYS A 48 13.028 10.921 -0.413 1.00 2.31 C ATOM 763 NZ LYS A 48 13.794 11.581 0.680 1.00 63.40 N ATOM 0 H LYS A 48 10.581 8.815 -3.827 1.00 42.10 H new ATOM 0 HA LYS A 48 11.326 11.176 -2.436 1.00 14.35 H new ATOM 0 HB2 LYS A 48 12.797 9.322 -4.356 1.00 15.33 H new ATOM 0 HB3 LYS A 48 13.577 10.687 -3.582 1.00 15.33 H new ATOM 0 HG2 LYS A 48 12.167 8.665 -1.831 1.00 41.43 H new ATOM 0 HG3 LYS A 48 13.703 8.217 -2.546 1.00 41.43 H new ATOM 0 HD2 LYS A 48 14.151 9.088 -0.340 1.00 34.42 H new ATOM 0 HD3 LYS A 48 14.756 10.251 -1.504 1.00 34.42 H new ATOM 0 HE2 LYS A 48 12.737 11.666 -1.154 1.00 2.31 H new ATOM 0 HE3 LYS A 48 12.109 10.498 -0.008 1.00 2.31 H new ATOM 0 HZ1 LYS A 48 13.162 11.765 1.485 1.00 63.40 H new ATOM 0 HZ2 LYS A 48 14.570 10.959 0.984 1.00 63.40 H new ATOM 0 HZ3 LYS A 48 14.186 12.481 0.335 1.00 63.40 H new ATOM 777 N ASP A 49 10.915 11.409 -5.698 1.00 74.23 N ATOM 778 CA ASP A 49 10.674 12.354 -6.795 1.00 63.40 C ATOM 779 C ASP A 49 9.407 13.167 -6.499 1.00 2.34 C ATOM 780 O ASP A 49 9.446 14.398 -6.472 1.00 62.14 O ATOM 781 CB ASP A 49 10.545 11.609 -8.149 1.00 14.15 C ATOM 782 CG ASP A 49 10.266 12.550 -9.337 1.00 52.21 C ATOM 783 OD1 ASP A 49 11.211 13.181 -9.842 1.00 75.04 O ATOM 784 OD2 ASP A 49 9.108 12.652 -9.783 1.00 70.13 O ATOM 0 H ASP A 49 10.709 10.439 -5.937 1.00 74.23 H new ATOM 0 HA ASP A 49 11.524 13.032 -6.872 1.00 63.40 H new ATOM 0 HB2 ASP A 49 11.464 11.056 -8.341 1.00 14.15 H new ATOM 0 HB3 ASP A 49 9.741 10.876 -8.078 1.00 14.15 H new ATOM 789 N ASN A 50 8.298 12.453 -6.227 1.00 13.25 N ATOM 790 CA ASN A 50 6.983 13.073 -5.977 1.00 43.24 C ATOM 791 C ASN A 50 6.221 12.289 -4.888 1.00 53.34 C ATOM 792 O ASN A 50 5.692 11.199 -5.153 1.00 41.34 O ATOM 793 CB ASN A 50 6.165 13.145 -7.301 1.00 65.42 C ATOM 794 CG ASN A 50 4.806 13.856 -7.174 1.00 53.50 C ATOM 795 OD1 ASN A 50 3.835 13.485 -7.836 1.00 24.32 O ATOM 796 ND2 ASN A 50 4.725 14.910 -6.368 1.00 14.03 N ATOM 0 H ASN A 50 8.288 11.434 -6.175 1.00 13.25 H new ATOM 0 HA ASN A 50 7.130 14.091 -5.615 1.00 43.24 H new ATOM 0 HB2 ASN A 50 6.761 13.660 -8.054 1.00 65.42 H new ATOM 0 HB3 ASN A 50 5.998 12.131 -7.665 1.00 65.42 H new ATOM 0 HD21 ASN A 50 3.849 15.426 -6.290 1.00 14.03 H new ATOM 0 HD22 ASN A 50 5.539 15.203 -5.828 1.00 14.03 H new ATOM 803 N GLY A 51 6.216 12.843 -3.653 1.00 63.03 N ATOM 804 CA GLY A 51 5.472 12.277 -2.520 1.00 63.34 C ATOM 805 C GLY A 51 3.983 12.571 -2.639 1.00 25.34 C ATOM 806 O GLY A 51 3.481 13.551 -2.079 1.00 72.03 O ATOM 0 H GLY A 51 6.729 13.694 -3.422 1.00 63.03 H new ATOM 0 HA2 GLY A 51 5.631 11.199 -2.479 1.00 63.34 H new ATOM 0 HA3 GLY A 51 5.854 12.691 -1.587 1.00 63.34 H new ATOM 810 N LYS A 52 3.290 11.732 -3.414 1.00 20.25 N ATOM 811 CA LYS A 52 1.865 11.913 -3.764 1.00 52.34 C ATOM 812 C LYS A 52 1.005 10.786 -3.118 1.00 33.24 C ATOM 813 O LYS A 52 1.572 9.775 -2.688 1.00 53.24 O ATOM 814 CB LYS A 52 1.746 11.944 -5.317 1.00 53.34 C ATOM 815 CG LYS A 52 2.041 10.609 -6.044 1.00 74.54 C ATOM 816 CD LYS A 52 1.979 10.752 -7.586 1.00 31.03 C ATOM 817 CE LYS A 52 0.689 11.438 -8.076 1.00 41.25 C ATOM 818 NZ LYS A 52 0.571 11.427 -9.559 1.00 62.03 N ATOM 0 H LYS A 52 3.702 10.894 -3.825 1.00 20.25 H new ATOM 0 HA LYS A 52 1.483 12.855 -3.370 1.00 52.34 H new ATOM 0 HB2 LYS A 52 0.737 12.263 -5.579 1.00 53.34 H new ATOM 0 HB3 LYS A 52 2.429 12.702 -5.699 1.00 53.34 H new ATOM 0 HG2 LYS A 52 3.029 10.251 -5.754 1.00 74.54 H new ATOM 0 HG3 LYS A 52 1.322 9.856 -5.722 1.00 74.54 H new ATOM 0 HD2 LYS A 52 2.841 11.325 -7.927 1.00 31.03 H new ATOM 0 HD3 LYS A 52 2.054 9.764 -8.040 1.00 31.03 H new ATOM 0 HE2 LYS A 52 -0.175 10.935 -7.641 1.00 41.25 H new ATOM 0 HE3 LYS A 52 0.670 12.468 -7.720 1.00 41.25 H new ATOM 0 HZ1 LYS A 52 -0.018 12.227 -9.866 1.00 62.03 H new ATOM 0 HZ2 LYS A 52 1.517 11.510 -9.983 1.00 62.03 H new ATOM 0 HZ3 LYS A 52 0.131 10.536 -9.866 1.00 62.03 H new ATOM 832 N PRO A 53 -0.375 10.934 -3.025 1.00 64.12 N ATOM 833 CA PRO A 53 -1.249 9.941 -2.337 1.00 15.41 C ATOM 834 C PRO A 53 -1.296 8.583 -3.076 1.00 53.51 C ATOM 835 O PRO A 53 -2.093 8.380 -3.998 1.00 60.23 O ATOM 836 CB PRO A 53 -2.636 10.635 -2.322 1.00 24.33 C ATOM 837 CG PRO A 53 -2.612 11.527 -3.522 1.00 42.20 C ATOM 838 CD PRO A 53 -1.193 12.053 -3.589 1.00 51.14 C ATOM 0 HA PRO A 53 -0.886 9.689 -1.341 1.00 15.41 H new ATOM 0 HB2 PRO A 53 -3.446 9.908 -2.382 1.00 24.33 H new ATOM 0 HB3 PRO A 53 -2.787 11.205 -1.405 1.00 24.33 H new ATOM 0 HG2 PRO A 53 -2.873 10.979 -4.427 1.00 42.20 H new ATOM 0 HG3 PRO A 53 -3.331 12.341 -3.424 1.00 42.20 H new ATOM 0 HD2 PRO A 53 -0.900 12.287 -4.613 1.00 51.14 H new ATOM 0 HD3 PRO A 53 -1.077 12.967 -3.007 1.00 51.14 H new ATOM 846 N LEU A 54 -0.405 7.669 -2.678 1.00 54.24 N ATOM 847 CA LEU A 54 -0.315 6.323 -3.279 1.00 12.43 C ATOM 848 C LEU A 54 -1.017 5.292 -2.395 1.00 10.44 C ATOM 849 O LEU A 54 -1.296 5.563 -1.236 1.00 11.35 O ATOM 850 CB LEU A 54 1.177 5.945 -3.527 1.00 25.04 C ATOM 851 CG LEU A 54 1.851 6.653 -4.744 1.00 20.24 C ATOM 852 CD1 LEU A 54 3.357 6.336 -4.834 1.00 72.23 C ATOM 853 CD2 LEU A 54 1.125 6.276 -6.050 1.00 33.33 C ATOM 0 H LEU A 54 0.273 7.834 -1.934 1.00 54.24 H new ATOM 0 HA LEU A 54 -0.825 6.329 -4.243 1.00 12.43 H new ATOM 0 HB2 LEU A 54 1.748 6.180 -2.629 1.00 25.04 H new ATOM 0 HB3 LEU A 54 1.242 4.867 -3.673 1.00 25.04 H new ATOM 0 HG LEU A 54 1.763 7.729 -4.594 1.00 20.24 H new ATOM 0 HD11 LEU A 54 3.786 6.849 -5.695 1.00 72.23 H new ATOM 0 HD12 LEU A 54 3.855 6.674 -3.925 1.00 72.23 H new ATOM 0 HD13 LEU A 54 3.496 5.261 -4.946 1.00 72.23 H new ATOM 0 HD21 LEU A 54 1.605 6.777 -6.891 1.00 33.33 H new ATOM 0 HD22 LEU A 54 1.173 5.197 -6.195 1.00 33.33 H new ATOM 0 HD23 LEU A 54 0.082 6.588 -5.990 1.00 33.33 H new ATOM 865 N VAL A 55 -1.334 4.120 -2.974 1.00 30.33 N ATOM 866 CA VAL A 55 -1.911 2.975 -2.239 1.00 24.33 C ATOM 867 C VAL A 55 -1.135 1.706 -2.647 1.00 12.30 C ATOM 868 O VAL A 55 -1.366 1.167 -3.726 1.00 22.12 O ATOM 869 CB VAL A 55 -3.461 2.799 -2.555 1.00 4.24 C ATOM 870 CG1 VAL A 55 -4.059 1.599 -1.791 1.00 61.00 C ATOM 871 CG2 VAL A 55 -4.263 4.092 -2.261 1.00 45.43 C ATOM 0 H VAL A 55 -1.198 3.938 -3.968 1.00 30.33 H new ATOM 0 HA VAL A 55 -1.821 3.152 -1.167 1.00 24.33 H new ATOM 0 HB VAL A 55 -3.544 2.597 -3.623 1.00 4.24 H new ATOM 0 HG11 VAL A 55 -5.119 1.507 -2.029 1.00 61.00 H new ATOM 0 HG12 VAL A 55 -3.541 0.686 -2.084 1.00 61.00 H new ATOM 0 HG13 VAL A 55 -3.941 1.755 -0.719 1.00 61.00 H new ATOM 0 HG21 VAL A 55 -5.316 3.927 -2.491 1.00 45.43 H new ATOM 0 HG22 VAL A 55 -4.158 4.354 -1.208 1.00 45.43 H new ATOM 0 HG23 VAL A 55 -3.880 4.906 -2.877 1.00 45.43 H new ATOM 881 N VAL A 56 -0.184 1.260 -1.796 1.00 32.30 N ATOM 882 CA VAL A 56 0.633 0.054 -2.067 1.00 23.42 C ATOM 883 C VAL A 56 -0.038 -1.207 -1.495 1.00 12.43 C ATOM 884 O VAL A 56 -0.113 -1.372 -0.277 1.00 34.44 O ATOM 885 CB VAL A 56 2.087 0.187 -1.462 1.00 70.12 C ATOM 886 CG1 VAL A 56 2.911 -1.113 -1.638 1.00 51.14 C ATOM 887 CG2 VAL A 56 2.832 1.378 -2.086 1.00 11.02 C ATOM 0 H VAL A 56 0.038 1.719 -0.912 1.00 32.30 H new ATOM 0 HA VAL A 56 0.711 -0.037 -3.150 1.00 23.42 H new ATOM 0 HB VAL A 56 1.973 0.363 -0.392 1.00 70.12 H new ATOM 0 HG11 VAL A 56 3.903 -0.976 -1.208 1.00 51.14 H new ATOM 0 HG12 VAL A 56 2.406 -1.935 -1.131 1.00 51.14 H new ATOM 0 HG13 VAL A 56 3.004 -1.344 -2.699 1.00 51.14 H new ATOM 0 HG21 VAL A 56 3.830 1.449 -1.654 1.00 11.02 H new ATOM 0 HG22 VAL A 56 2.912 1.233 -3.163 1.00 11.02 H new ATOM 0 HG23 VAL A 56 2.282 2.297 -1.884 1.00 11.02 H new ATOM 897 N PHE A 57 -0.527 -2.085 -2.383 1.00 1.15 N ATOM 898 CA PHE A 57 -0.964 -3.436 -2.005 1.00 32.41 C ATOM 899 C PHE A 57 0.258 -4.364 -1.965 1.00 45.41 C ATOM 900 O PHE A 57 0.826 -4.694 -3.017 1.00 32.33 O ATOM 901 CB PHE A 57 -2.009 -3.969 -3.017 1.00 23.23 C ATOM 902 CG PHE A 57 -3.344 -3.233 -2.984 1.00 53.53 C ATOM 903 CD1 PHE A 57 -3.535 -2.050 -3.701 1.00 14.12 C ATOM 904 CD2 PHE A 57 -4.406 -3.724 -2.229 1.00 25.31 C ATOM 905 CE1 PHE A 57 -4.747 -1.384 -3.659 1.00 34.21 C ATOM 906 CE2 PHE A 57 -5.611 -3.056 -2.189 1.00 2.44 C ATOM 907 CZ PHE A 57 -5.783 -1.887 -2.902 1.00 15.51 C ATOM 0 H PHE A 57 -0.630 -1.880 -3.377 1.00 1.15 H new ATOM 0 HA PHE A 57 -1.430 -3.404 -1.020 1.00 32.41 H new ATOM 0 HB2 PHE A 57 -1.593 -3.899 -4.022 1.00 23.23 H new ATOM 0 HB3 PHE A 57 -2.185 -5.026 -2.818 1.00 23.23 H new ATOM 0 HD1 PHE A 57 -2.727 -1.650 -4.295 1.00 14.12 H new ATOM 0 HD2 PHE A 57 -4.284 -4.639 -1.668 1.00 25.31 H new ATOM 0 HE1 PHE A 57 -4.881 -0.470 -4.219 1.00 34.21 H new ATOM 0 HE2 PHE A 57 -6.424 -3.449 -1.597 1.00 2.44 H new ATOM 0 HZ PHE A 57 -6.729 -1.367 -2.867 1.00 15.51 H new ATOM 917 N VAL A 58 0.680 -4.765 -0.752 1.00 65.33 N ATOM 918 CA VAL A 58 1.777 -5.728 -0.583 1.00 11.34 C ATOM 919 C VAL A 58 1.218 -7.161 -0.640 1.00 63.22 C ATOM 920 O VAL A 58 0.484 -7.600 0.255 1.00 25.35 O ATOM 921 CB VAL A 58 2.635 -5.482 0.724 1.00 74.43 C ATOM 922 CG1 VAL A 58 3.470 -4.190 0.595 1.00 21.32 C ATOM 923 CG2 VAL A 58 1.777 -5.445 2.005 1.00 21.40 C ATOM 0 H VAL A 58 0.276 -4.435 0.125 1.00 65.33 H new ATOM 0 HA VAL A 58 2.473 -5.581 -1.409 1.00 11.34 H new ATOM 0 HB VAL A 58 3.308 -6.334 0.819 1.00 74.43 H new ATOM 0 HG11 VAL A 58 4.052 -4.041 1.504 1.00 21.32 H new ATOM 0 HG12 VAL A 58 4.144 -4.276 -0.257 1.00 21.32 H new ATOM 0 HG13 VAL A 58 2.804 -3.340 0.446 1.00 21.32 H new ATOM 0 HG21 VAL A 58 2.420 -5.273 2.869 1.00 21.40 H new ATOM 0 HG22 VAL A 58 1.047 -4.639 1.930 1.00 21.40 H new ATOM 0 HG23 VAL A 58 1.258 -6.396 2.123 1.00 21.40 H new ATOM 933 N ASN A 59 1.531 -7.861 -1.747 1.00 11.04 N ATOM 934 CA ASN A 59 1.137 -9.261 -1.971 1.00 21.03 C ATOM 935 C ASN A 59 1.937 -10.196 -1.060 1.00 12.54 C ATOM 936 O ASN A 59 2.974 -10.747 -1.462 1.00 61.31 O ATOM 937 CB ASN A 59 1.296 -9.647 -3.469 1.00 74.10 C ATOM 938 CG ASN A 59 0.288 -8.929 -4.367 1.00 31.52 C ATOM 939 OD1 ASN A 59 0.545 -7.840 -4.871 1.00 43.20 O ATOM 940 ND2 ASN A 59 -0.873 -9.535 -4.566 1.00 50.33 N ATOM 0 H ASN A 59 2.070 -7.465 -2.517 1.00 11.04 H new ATOM 0 HA ASN A 59 0.083 -9.370 -1.716 1.00 21.03 H new ATOM 0 HB2 ASN A 59 2.307 -9.407 -3.798 1.00 74.10 H new ATOM 0 HB3 ASN A 59 1.173 -10.724 -3.579 1.00 74.10 H new ATOM 0 HD21 ASN A 59 -1.583 -9.097 -5.152 1.00 50.33 H new ATOM 0 HD22 ASN A 59 -1.057 -10.440 -4.133 1.00 50.33 H new ATOM 947 N GLY A 60 1.451 -10.306 0.199 1.00 73.51 N ATOM 948 CA GLY A 60 2.044 -11.168 1.221 1.00 11.21 C ATOM 949 C GLY A 60 3.529 -10.913 1.439 1.00 20.53 C ATOM 950 O GLY A 60 4.305 -11.861 1.622 1.00 41.20 O ATOM 0 H GLY A 60 0.632 -9.792 0.525 1.00 73.51 H new ATOM 0 HA2 GLY A 60 1.515 -11.020 2.163 1.00 11.21 H new ATOM 0 HA3 GLY A 60 1.900 -12.210 0.935 1.00 11.21 H new ATOM 954 N ALA A 61 3.925 -9.623 1.373 1.00 44.24 N ATOM 955 CA ALA A 61 5.323 -9.209 1.567 1.00 42.11 C ATOM 956 C ALA A 61 5.759 -9.511 3.003 1.00 42.34 C ATOM 957 O ALA A 61 4.998 -9.253 3.948 1.00 72.23 O ATOM 958 CB ALA A 61 5.517 -7.722 1.231 1.00 44.32 C ATOM 0 H ALA A 61 3.287 -8.849 1.185 1.00 44.24 H new ATOM 0 HA ALA A 61 5.952 -9.779 0.882 1.00 42.11 H new ATOM 0 HB1 ALA A 61 6.561 -7.447 1.385 1.00 44.32 H new ATOM 0 HB2 ALA A 61 5.245 -7.546 0.190 1.00 44.32 H new ATOM 0 HB3 ALA A 61 4.883 -7.117 1.879 1.00 44.32 H new ATOM 964 N SER A 62 6.972 -10.071 3.144 1.00 21.34 N ATOM 965 CA SER A 62 7.519 -10.521 4.433 1.00 13.53 C ATOM 966 C SER A 62 7.646 -9.341 5.421 1.00 23.20 C ATOM 967 O SER A 62 7.752 -8.182 4.996 1.00 33.20 O ATOM 968 CB SER A 62 8.889 -11.198 4.196 1.00 43.10 C ATOM 969 OG SER A 62 9.350 -11.882 5.345 1.00 10.04 O ATOM 0 H SER A 62 7.605 -10.225 2.359 1.00 21.34 H new ATOM 0 HA SER A 62 6.837 -11.245 4.879 1.00 13.53 H new ATOM 0 HB2 SER A 62 8.808 -11.899 3.365 1.00 43.10 H new ATOM 0 HB3 SER A 62 9.620 -10.444 3.906 1.00 43.10 H new ATOM 0 HG SER A 62 10.217 -12.297 5.153 1.00 10.04 H new ATOM 975 N GLN A 63 7.658 -9.661 6.730 1.00 24.40 N ATOM 976 CA GLN A 63 7.644 -8.660 7.818 1.00 72.23 C ATOM 977 C GLN A 63 8.832 -7.678 7.711 1.00 24.24 C ATOM 978 O GLN A 63 8.671 -6.487 7.968 1.00 63.11 O ATOM 979 CB GLN A 63 7.644 -9.376 9.199 1.00 61.12 C ATOM 980 CG GLN A 63 7.667 -8.439 10.427 1.00 44.11 C ATOM 981 CD GLN A 63 6.463 -7.496 10.526 1.00 64.40 C ATOM 982 OE1 GLN A 63 5.347 -7.810 10.102 1.00 22.35 O ATOM 983 NE2 GLN A 63 6.682 -6.331 11.098 1.00 21.11 N ATOM 0 H GLN A 63 7.678 -10.624 7.065 1.00 24.40 H new ATOM 0 HA GLN A 63 6.731 -8.072 7.721 1.00 72.23 H new ATOM 0 HB2 GLN A 63 6.759 -10.009 9.262 1.00 61.12 H new ATOM 0 HB3 GLN A 63 8.511 -10.035 9.249 1.00 61.12 H new ATOM 0 HG2 GLN A 63 7.713 -9.046 11.331 1.00 44.11 H new ATOM 0 HG3 GLN A 63 8.579 -7.843 10.397 1.00 44.11 H new ATOM 0 HE21 GLN A 63 7.614 -6.098 11.439 1.00 21.11 H new ATOM 0 HE22 GLN A 63 5.919 -5.661 11.200 1.00 21.11 H new ATOM 992 N ASN A 64 10.003 -8.206 7.288 1.00 52.32 N ATOM 993 CA ASN A 64 11.226 -7.410 7.051 1.00 43.44 C ATOM 994 C ASN A 64 10.965 -6.317 5.999 1.00 41.44 C ATOM 995 O ASN A 64 11.291 -5.155 6.210 1.00 55.20 O ATOM 996 CB ASN A 64 12.385 -8.325 6.563 1.00 13.34 C ATOM 997 CG ASN A 64 13.701 -7.564 6.335 1.00 1.55 C ATOM 998 OD1 ASN A 64 14.023 -6.614 7.053 1.00 21.41 O ATOM 999 ND2 ASN A 64 14.459 -7.963 5.333 1.00 14.25 N ATOM 0 H ASN A 64 10.125 -9.201 7.101 1.00 52.32 H new ATOM 0 HA ASN A 64 11.509 -6.941 7.993 1.00 43.44 H new ATOM 0 HB2 ASN A 64 12.551 -9.113 7.297 1.00 13.34 H new ATOM 0 HB3 ASN A 64 12.089 -8.812 5.634 1.00 13.34 H new ATOM 0 HD21 ASN A 64 15.337 -7.483 5.135 1.00 14.25 H new ATOM 0 HD22 ASN A 64 14.168 -8.752 4.756 1.00 14.25 H new ATOM 1006 N ASP A 65 10.328 -6.734 4.897 1.00 42.11 N ATOM 1007 CA ASP A 65 10.061 -5.895 3.707 1.00 51.10 C ATOM 1008 C ASP A 65 9.071 -4.771 4.051 1.00 71.32 C ATOM 1009 O ASP A 65 9.216 -3.628 3.605 1.00 73.31 O ATOM 1010 CB ASP A 65 9.474 -6.767 2.557 1.00 31.02 C ATOM 1011 CG ASP A 65 10.323 -8.009 2.200 1.00 43.11 C ATOM 1012 OD1 ASP A 65 10.767 -8.729 3.113 1.00 42.13 O ATOM 1013 OD2 ASP A 65 10.540 -8.289 1.014 1.00 45.31 O ATOM 0 H ASP A 65 9.973 -7.685 4.800 1.00 42.11 H new ATOM 0 HA ASP A 65 11.003 -5.452 3.383 1.00 51.10 H new ATOM 0 HB2 ASP A 65 8.474 -7.095 2.840 1.00 31.02 H new ATOM 0 HB3 ASP A 65 9.366 -6.148 1.667 1.00 31.02 H new ATOM 1018 N VAL A 66 8.059 -5.138 4.856 1.00 4.03 N ATOM 1019 CA VAL A 66 7.067 -4.203 5.407 1.00 75.33 C ATOM 1020 C VAL A 66 7.759 -3.170 6.320 1.00 55.02 C ATOM 1021 O VAL A 66 7.486 -1.971 6.231 1.00 15.30 O ATOM 1022 CB VAL A 66 5.943 -4.978 6.203 1.00 42.23 C ATOM 1023 CG1 VAL A 66 4.985 -4.014 6.941 1.00 32.33 C ATOM 1024 CG2 VAL A 66 5.158 -5.923 5.258 1.00 4.24 C ATOM 0 H VAL A 66 7.906 -6.104 5.145 1.00 4.03 H new ATOM 0 HA VAL A 66 6.593 -3.678 4.578 1.00 75.33 H new ATOM 0 HB VAL A 66 6.439 -5.581 6.964 1.00 42.23 H new ATOM 0 HG11 VAL A 66 4.229 -4.590 7.474 1.00 32.33 H new ATOM 0 HG12 VAL A 66 5.551 -3.412 7.652 1.00 32.33 H new ATOM 0 HG13 VAL A 66 4.499 -3.359 6.218 1.00 32.33 H new ATOM 0 HG21 VAL A 66 4.389 -6.448 5.825 1.00 4.24 H new ATOM 0 HG22 VAL A 66 4.690 -5.339 4.466 1.00 4.24 H new ATOM 0 HG23 VAL A 66 5.842 -6.648 4.818 1.00 4.24 H new ATOM 1034 N ASN A 67 8.696 -3.656 7.163 1.00 63.45 N ATOM 1035 CA ASN A 67 9.492 -2.797 8.074 1.00 53.41 C ATOM 1036 C ASN A 67 10.451 -1.891 7.284 1.00 74.43 C ATOM 1037 O ASN A 67 10.757 -0.789 7.720 1.00 33.31 O ATOM 1038 CB ASN A 67 10.295 -3.640 9.108 1.00 43.31 C ATOM 1039 CG ASN A 67 9.408 -4.401 10.096 1.00 35.21 C ATOM 1040 OD1 ASN A 67 8.299 -3.972 10.427 1.00 40.13 O ATOM 1041 ND2 ASN A 67 9.892 -5.529 10.580 1.00 42.52 N ATOM 0 H ASN A 67 8.923 -4.648 7.233 1.00 63.45 H new ATOM 0 HA ASN A 67 8.784 -2.173 8.619 1.00 53.41 H new ATOM 0 HB2 ASN A 67 10.924 -4.352 8.574 1.00 43.31 H new ATOM 0 HB3 ASN A 67 10.961 -2.980 9.664 1.00 43.31 H new ATOM 0 HD21 ASN A 67 9.346 -6.073 11.248 1.00 42.52 H new ATOM 0 HD22 ASN A 67 10.812 -5.857 10.286 1.00 42.52 H new ATOM 1048 N GLU A 68 10.904 -2.371 6.110 1.00 72.53 N ATOM 1049 CA GLU A 68 11.745 -1.578 5.193 1.00 43.44 C ATOM 1050 C GLU A 68 10.930 -0.427 4.598 1.00 12.03 C ATOM 1051 O GLU A 68 11.450 0.663 4.396 1.00 30.51 O ATOM 1052 CB GLU A 68 12.340 -2.464 4.060 1.00 2.41 C ATOM 1053 CG GLU A 68 13.392 -3.479 4.544 1.00 51.34 C ATOM 1054 CD GLU A 68 14.006 -4.321 3.413 1.00 54.04 C ATOM 1055 OE1 GLU A 68 14.738 -3.748 2.569 1.00 32.22 O ATOM 1056 OE2 GLU A 68 13.794 -5.554 3.373 1.00 11.55 O ATOM 0 H GLU A 68 10.699 -3.312 5.773 1.00 72.53 H new ATOM 0 HA GLU A 68 12.577 -1.168 5.765 1.00 43.44 H new ATOM 0 HB2 GLU A 68 11.529 -3.003 3.571 1.00 2.41 H new ATOM 0 HB3 GLU A 68 12.793 -1.818 3.308 1.00 2.41 H new ATOM 0 HG2 GLU A 68 14.189 -2.944 5.060 1.00 51.34 H new ATOM 0 HG3 GLU A 68 12.932 -4.146 5.273 1.00 51.34 H new ATOM 1063 N PHE A 69 9.635 -0.694 4.333 1.00 33.44 N ATOM 1064 CA PHE A 69 8.711 0.318 3.801 1.00 22.51 C ATOM 1065 C PHE A 69 8.486 1.432 4.837 1.00 34.42 C ATOM 1066 O PHE A 69 8.640 2.615 4.530 1.00 1.13 O ATOM 1067 CB PHE A 69 7.361 -0.324 3.381 1.00 25.42 C ATOM 1068 CG PHE A 69 6.509 0.571 2.482 1.00 53.43 C ATOM 1069 CD1 PHE A 69 6.684 0.563 1.094 1.00 71.12 C ATOM 1070 CD2 PHE A 69 5.543 1.426 3.016 1.00 70.01 C ATOM 1071 CE1 PHE A 69 5.924 1.371 0.276 1.00 31.31 C ATOM 1072 CE2 PHE A 69 4.786 2.233 2.194 1.00 74.41 C ATOM 1073 CZ PHE A 69 4.976 2.205 0.826 1.00 45.13 C ATOM 0 H PHE A 69 9.208 -1.608 4.481 1.00 33.44 H new ATOM 0 HA PHE A 69 9.161 0.757 2.911 1.00 22.51 H new ATOM 0 HB2 PHE A 69 7.560 -1.261 2.862 1.00 25.42 H new ATOM 0 HB3 PHE A 69 6.792 -0.571 4.277 1.00 25.42 H new ATOM 0 HD1 PHE A 69 7.427 -0.087 0.656 1.00 71.12 H new ATOM 0 HD2 PHE A 69 5.387 1.455 4.084 1.00 70.01 H new ATOM 0 HE1 PHE A 69 6.072 1.350 -0.794 1.00 31.31 H new ATOM 0 HE2 PHE A 69 4.042 2.889 2.621 1.00 74.41 H new ATOM 0 HZ PHE A 69 4.380 2.839 0.186 1.00 45.13 H new ATOM 1083 N GLN A 70 8.164 1.011 6.070 1.00 14.20 N ATOM 1084 CA GLN A 70 7.837 1.915 7.180 1.00 5.31 C ATOM 1085 C GLN A 70 9.057 2.769 7.582 1.00 33.44 C ATOM 1086 O GLN A 70 8.998 4.007 7.561 1.00 32.43 O ATOM 1087 CB GLN A 70 7.320 1.081 8.386 1.00 60.14 C ATOM 1088 CG GLN A 70 6.069 0.240 8.064 1.00 55.50 C ATOM 1089 CD GLN A 70 5.690 -0.714 9.189 1.00 62.21 C ATOM 1090 OE1 GLN A 70 6.202 -1.829 9.256 1.00 20.42 O ATOM 1091 NE2 GLN A 70 4.806 -0.300 10.081 1.00 10.20 N ATOM 0 H GLN A 70 8.123 0.024 6.325 1.00 14.20 H new ATOM 0 HA GLN A 70 7.055 2.602 6.858 1.00 5.31 H new ATOM 0 HB2 GLN A 70 8.116 0.418 8.726 1.00 60.14 H new ATOM 0 HB3 GLN A 70 7.092 1.755 9.212 1.00 60.14 H new ATOM 0 HG2 GLN A 70 5.231 0.907 7.863 1.00 55.50 H new ATOM 0 HG3 GLN A 70 6.247 -0.332 7.154 1.00 55.50 H new ATOM 0 HE21 GLN A 70 4.397 0.631 10.000 1.00 10.20 H new ATOM 0 HE22 GLN A 70 4.533 -0.912 10.850 1.00 10.20 H new ATOM 1100 N ASN A 71 10.175 2.086 7.885 1.00 24.12 N ATOM 1101 CA ASN A 71 11.406 2.726 8.383 1.00 31.11 C ATOM 1102 C ASN A 71 12.040 3.644 7.325 1.00 33.14 C ATOM 1103 O ASN A 71 12.372 4.789 7.644 1.00 44.33 O ATOM 1104 CB ASN A 71 12.416 1.659 8.904 1.00 72.34 C ATOM 1105 CG ASN A 71 12.068 1.155 10.314 1.00 72.53 C ATOM 1106 OD1 ASN A 71 12.542 1.700 11.313 1.00 23.03 O ATOM 1107 ND2 ASN A 71 11.224 0.136 10.417 1.00 12.02 N ATOM 0 H ASN A 71 10.251 1.073 7.791 1.00 24.12 H new ATOM 0 HA ASN A 71 11.132 3.361 9.225 1.00 31.11 H new ATOM 0 HB2 ASN A 71 12.435 0.815 8.215 1.00 72.34 H new ATOM 0 HB3 ASN A 71 13.419 2.086 8.912 1.00 72.34 H new ATOM 0 HD21 ASN A 71 10.955 -0.212 11.337 1.00 12.02 H new ATOM 0 HD22 ASN A 71 10.845 -0.299 9.576 1.00 12.02 H new ATOM 1114 N GLU A 72 12.173 3.175 6.064 1.00 30.11 N ATOM 1115 CA GLU A 72 12.765 4.013 4.994 1.00 21.21 C ATOM 1116 C GLU A 72 11.893 5.230 4.685 1.00 3.22 C ATOM 1117 O GLU A 72 12.428 6.322 4.532 1.00 4.15 O ATOM 1118 CB GLU A 72 13.062 3.214 3.699 1.00 33.02 C ATOM 1119 CG GLU A 72 14.262 2.258 3.814 1.00 71.43 C ATOM 1120 CD GLU A 72 15.580 2.982 4.162 1.00 4.34 C ATOM 1121 OE1 GLU A 72 16.175 3.621 3.275 1.00 1.22 O ATOM 1122 OE2 GLU A 72 16.037 2.905 5.321 1.00 45.05 O ATOM 0 H GLU A 72 11.886 2.243 5.765 1.00 30.11 H new ATOM 0 HA GLU A 72 13.722 4.363 5.382 1.00 21.21 H new ATOM 0 HB2 GLU A 72 12.177 2.638 3.429 1.00 33.02 H new ATOM 0 HB3 GLU A 72 13.247 3.916 2.886 1.00 33.02 H new ATOM 0 HG2 GLU A 72 14.052 1.511 4.579 1.00 71.43 H new ATOM 0 HG3 GLU A 72 14.385 1.724 2.872 1.00 71.43 H new ATOM 1129 N ALA A 73 10.554 5.048 4.640 1.00 35.14 N ATOM 1130 CA ALA A 73 9.622 6.153 4.353 1.00 51.41 C ATOM 1131 C ALA A 73 9.800 7.305 5.369 1.00 53.10 C ATOM 1132 O ALA A 73 10.117 8.435 4.973 1.00 34.23 O ATOM 1133 CB ALA A 73 8.168 5.655 4.334 1.00 70.15 C ATOM 0 H ALA A 73 10.100 4.149 4.799 1.00 35.14 H new ATOM 0 HA ALA A 73 9.856 6.541 3.362 1.00 51.41 H new ATOM 0 HB1 ALA A 73 7.500 6.490 4.120 1.00 70.15 H new ATOM 0 HB2 ALA A 73 8.055 4.893 3.563 1.00 70.15 H new ATOM 0 HB3 ALA A 73 7.917 5.229 5.305 1.00 70.15 H new ATOM 1139 N LYS A 74 9.660 6.990 6.681 1.00 10.35 N ATOM 1140 CA LYS A 74 9.773 8.003 7.763 1.00 61.12 C ATOM 1141 C LYS A 74 11.194 8.629 7.805 1.00 55.22 C ATOM 1142 O LYS A 74 11.355 9.802 8.149 1.00 64.24 O ATOM 1143 CB LYS A 74 9.345 7.395 9.148 1.00 71.43 C ATOM 1144 CG LYS A 74 10.238 6.249 9.713 1.00 50.35 C ATOM 1145 CD LYS A 74 11.454 6.753 10.541 1.00 62.12 C ATOM 1146 CE LYS A 74 12.526 5.675 10.762 1.00 63.11 C ATOM 1147 NZ LYS A 74 12.037 4.524 11.563 1.00 75.24 N ATOM 0 H LYS A 74 9.469 6.046 7.016 1.00 10.35 H new ATOM 0 HA LYS A 74 9.081 8.816 7.543 1.00 61.12 H new ATOM 0 HB2 LYS A 74 9.321 8.201 9.881 1.00 71.43 H new ATOM 0 HB3 LYS A 74 8.326 7.019 9.055 1.00 71.43 H new ATOM 0 HG2 LYS A 74 9.627 5.600 10.340 1.00 50.35 H new ATOM 0 HG3 LYS A 74 10.601 5.641 8.884 1.00 50.35 H new ATOM 0 HD2 LYS A 74 11.904 7.605 10.031 1.00 62.12 H new ATOM 0 HD3 LYS A 74 11.103 7.110 11.509 1.00 62.12 H new ATOM 0 HE2 LYS A 74 12.875 5.315 9.794 1.00 63.11 H new ATOM 0 HE3 LYS A 74 13.384 6.122 11.265 1.00 63.11 H new ATOM 0 HZ1 LYS A 74 12.401 3.639 11.157 1.00 75.24 H new ATOM 0 HZ2 LYS A 74 12.370 4.617 12.544 1.00 75.24 H new ATOM 0 HZ3 LYS A 74 10.997 4.509 11.550 1.00 75.24 H new ATOM 1161 N LYS A 75 12.213 7.833 7.417 1.00 64.15 N ATOM 1162 CA LYS A 75 13.616 8.271 7.364 1.00 71.01 C ATOM 1163 C LYS A 75 13.853 9.213 6.162 1.00 61.14 C ATOM 1164 O LYS A 75 14.723 10.089 6.207 1.00 74.14 O ATOM 1165 CB LYS A 75 14.543 6.996 7.353 1.00 11.43 C ATOM 1166 CG LYS A 75 15.739 7.030 6.388 1.00 31.21 C ATOM 1167 CD LYS A 75 16.848 6.008 6.738 1.00 41.33 C ATOM 1168 CE LYS A 75 18.049 6.106 5.797 1.00 74.22 C ATOM 1169 NZ LYS A 75 17.701 5.712 4.412 1.00 41.24 N ATOM 0 H LYS A 75 12.080 6.863 7.131 1.00 64.15 H new ATOM 0 HA LYS A 75 13.867 8.858 8.248 1.00 71.01 H new ATOM 0 HB2 LYS A 75 14.923 6.841 8.363 1.00 11.43 H new ATOM 0 HB3 LYS A 75 13.929 6.129 7.107 1.00 11.43 H new ATOM 0 HG2 LYS A 75 15.384 6.836 5.376 1.00 31.21 H new ATOM 0 HG3 LYS A 75 16.167 8.032 6.389 1.00 31.21 H new ATOM 0 HD2 LYS A 75 17.179 6.172 7.763 1.00 41.33 H new ATOM 0 HD3 LYS A 75 16.436 5.000 6.693 1.00 41.33 H new ATOM 0 HE2 LYS A 75 18.429 7.128 5.799 1.00 74.22 H new ATOM 0 HE3 LYS A 75 18.851 5.467 6.165 1.00 74.22 H new ATOM 0 HZ1 LYS A 75 18.572 5.530 3.874 1.00 41.24 H new ATOM 0 HZ2 LYS A 75 17.119 4.850 4.432 1.00 41.24 H new ATOM 0 HZ3 LYS A 75 17.167 6.479 3.957 1.00 41.24 H new ATOM 1183 N GLU A 76 13.043 9.049 5.111 1.00 12.30 N ATOM 1184 CA GLU A 76 13.124 9.868 3.890 1.00 45.03 C ATOM 1185 C GLU A 76 12.117 11.037 3.914 1.00 3.24 C ATOM 1186 O GLU A 76 11.972 11.758 2.912 1.00 53.44 O ATOM 1187 CB GLU A 76 12.895 8.963 2.650 1.00 32.34 C ATOM 1188 CG GLU A 76 14.002 7.904 2.400 1.00 13.33 C ATOM 1189 CD GLU A 76 15.434 8.473 2.402 1.00 45.11 C ATOM 1190 OE1 GLU A 76 15.692 9.473 1.709 1.00 31.54 O ATOM 1191 OE2 GLU A 76 16.312 7.906 3.071 1.00 54.23 O ATOM 0 H GLU A 76 12.308 8.342 5.080 1.00 12.30 H new ATOM 0 HA GLU A 76 14.118 10.312 3.837 1.00 45.03 H new ATOM 0 HB2 GLU A 76 11.940 8.449 2.765 1.00 32.34 H new ATOM 0 HB3 GLU A 76 12.812 9.596 1.767 1.00 32.34 H new ATOM 0 HG2 GLU A 76 13.929 7.131 3.165 1.00 13.33 H new ATOM 0 HG3 GLU A 76 13.817 7.421 1.441 1.00 13.33 H new ATOM 1198 N GLY A 77 11.424 11.217 5.061 1.00 64.11 N ATOM 1199 CA GLY A 77 10.436 12.293 5.240 1.00 21.33 C ATOM 1200 C GLY A 77 9.072 11.972 4.623 1.00 31.55 C ATOM 1201 O GLY A 77 8.120 12.749 4.763 1.00 23.45 O ATOM 0 H GLY A 77 11.536 10.622 5.881 1.00 64.11 H new ATOM 0 HA2 GLY A 77 10.309 12.486 6.305 1.00 21.33 H new ATOM 0 HA3 GLY A 77 10.822 13.209 4.794 1.00 21.33 H new ATOM 1205 N VAL A 78 8.996 10.822 3.938 1.00 41.24 N ATOM 1206 CA VAL A 78 7.785 10.324 3.283 1.00 72.03 C ATOM 1207 C VAL A 78 6.830 9.760 4.351 1.00 62.21 C ATOM 1208 O VAL A 78 7.173 8.811 5.061 1.00 33.12 O ATOM 1209 CB VAL A 78 8.151 9.205 2.220 1.00 23.25 C ATOM 1210 CG1 VAL A 78 6.896 8.626 1.534 1.00 60.54 C ATOM 1211 CG2 VAL A 78 9.159 9.742 1.169 1.00 4.23 C ATOM 0 H VAL A 78 9.796 10.200 3.823 1.00 41.24 H new ATOM 0 HA VAL A 78 7.295 11.143 2.756 1.00 72.03 H new ATOM 0 HB VAL A 78 8.627 8.390 2.765 1.00 23.25 H new ATOM 0 HG11 VAL A 78 7.194 7.864 0.814 1.00 60.54 H new ATOM 0 HG12 VAL A 78 6.243 8.181 2.285 1.00 60.54 H new ATOM 0 HG13 VAL A 78 6.363 9.424 1.017 1.00 60.54 H new ATOM 0 HG21 VAL A 78 9.392 8.954 0.453 1.00 4.23 H new ATOM 0 HG22 VAL A 78 8.720 10.591 0.645 1.00 4.23 H new ATOM 0 HG23 VAL A 78 10.073 10.059 1.671 1.00 4.23 H new ATOM 1221 N SER A 79 5.647 10.370 4.491 1.00 52.35 N ATOM 1222 CA SER A 79 4.619 9.872 5.406 1.00 71.00 C ATOM 1223 C SER A 79 3.987 8.599 4.805 1.00 63.23 C ATOM 1224 O SER A 79 4.027 8.390 3.585 1.00 1.14 O ATOM 1225 CB SER A 79 3.558 10.969 5.664 1.00 43.22 C ATOM 1226 OG SER A 79 4.158 12.152 6.178 1.00 44.42 O ATOM 0 H SER A 79 5.380 11.211 3.980 1.00 52.35 H new ATOM 0 HA SER A 79 5.064 9.618 6.368 1.00 71.00 H new ATOM 0 HB2 SER A 79 3.034 11.197 4.736 1.00 43.22 H new ATOM 0 HB3 SER A 79 2.813 10.600 6.369 1.00 43.22 H new ATOM 0 HG SER A 79 3.467 12.830 6.331 1.00 44.42 H new ATOM 1232 N TYR A 80 3.441 7.742 5.663 1.00 73.20 N ATOM 1233 CA TYR A 80 2.732 6.529 5.237 1.00 32.02 C ATOM 1234 C TYR A 80 1.556 6.265 6.177 1.00 54.10 C ATOM 1235 O TYR A 80 1.395 6.944 7.205 1.00 44.12 O ATOM 1236 CB TYR A 80 3.694 5.303 5.164 1.00 61.11 C ATOM 1237 CG TYR A 80 4.412 4.964 6.477 1.00 30.42 C ATOM 1238 CD1 TYR A 80 5.614 5.585 6.819 1.00 52.13 C ATOM 1239 CD2 TYR A 80 3.887 4.030 7.374 1.00 63.42 C ATOM 1240 CE1 TYR A 80 6.258 5.291 7.997 1.00 30.33 C ATOM 1241 CE2 TYR A 80 4.530 3.742 8.557 1.00 1.03 C ATOM 1242 CZ TYR A 80 5.713 4.374 8.864 1.00 40.02 C ATOM 1243 OH TYR A 80 6.352 4.095 10.054 1.00 61.52 O ATOM 0 H TYR A 80 3.475 7.865 6.675 1.00 73.20 H new ATOM 0 HA TYR A 80 2.345 6.684 4.230 1.00 32.02 H new ATOM 0 HB2 TYR A 80 3.124 4.431 4.844 1.00 61.11 H new ATOM 0 HB3 TYR A 80 4.444 5.493 4.396 1.00 61.11 H new ATOM 0 HD1 TYR A 80 6.046 6.310 6.145 1.00 52.13 H new ATOM 0 HD2 TYR A 80 2.962 3.526 7.136 1.00 63.42 H new ATOM 0 HE1 TYR A 80 7.190 5.779 8.241 1.00 30.33 H new ATOM 0 HE2 TYR A 80 4.107 3.022 9.242 1.00 1.03 H new ATOM 0 HH TYR A 80 5.753 3.580 10.634 1.00 61.52 H new ATOM 1253 N ASP A 81 0.751 5.274 5.812 1.00 1.44 N ATOM 1254 CA ASP A 81 -0.467 4.905 6.539 1.00 41.14 C ATOM 1255 C ASP A 81 -0.612 3.383 6.450 1.00 31.04 C ATOM 1256 O ASP A 81 -0.686 2.834 5.357 1.00 21.13 O ATOM 1257 CB ASP A 81 -1.686 5.624 5.886 1.00 53.33 C ATOM 1258 CG ASP A 81 -2.873 5.833 6.830 1.00 53.33 C ATOM 1259 OD1 ASP A 81 -3.335 4.859 7.447 1.00 74.24 O ATOM 1260 OD2 ASP A 81 -3.372 6.981 6.934 1.00 5.12 O ATOM 0 H ASP A 81 0.925 4.693 4.992 1.00 1.44 H new ATOM 0 HA ASP A 81 -0.418 5.207 7.585 1.00 41.14 H new ATOM 0 HB2 ASP A 81 -1.362 6.594 5.509 1.00 53.33 H new ATOM 0 HB3 ASP A 81 -2.018 5.042 5.026 1.00 53.33 H new ATOM 1265 N VAL A 82 -0.650 2.715 7.601 1.00 32.44 N ATOM 1266 CA VAL A 82 -0.673 1.236 7.675 1.00 65.23 C ATOM 1267 C VAL A 82 -2.120 0.723 7.796 1.00 41.53 C ATOM 1268 O VAL A 82 -2.790 0.932 8.817 1.00 2.25 O ATOM 1269 CB VAL A 82 0.195 0.692 8.879 1.00 73.22 C ATOM 1270 CG1 VAL A 82 0.160 -0.862 8.954 1.00 14.30 C ATOM 1271 CG2 VAL A 82 1.651 1.217 8.797 1.00 1.04 C ATOM 0 H VAL A 82 -0.666 3.172 8.513 1.00 32.44 H new ATOM 0 HA VAL A 82 -0.234 0.860 6.751 1.00 65.23 H new ATOM 0 HB VAL A 82 -0.247 1.072 9.800 1.00 73.22 H new ATOM 0 HG11 VAL A 82 0.768 -1.200 9.794 1.00 14.30 H new ATOM 0 HG12 VAL A 82 -0.868 -1.197 9.093 1.00 14.30 H new ATOM 0 HG13 VAL A 82 0.556 -1.280 8.028 1.00 14.30 H new ATOM 0 HG21 VAL A 82 2.226 0.828 9.637 1.00 1.04 H new ATOM 0 HG22 VAL A 82 2.105 0.887 7.863 1.00 1.04 H new ATOM 0 HG23 VAL A 82 1.648 2.306 8.834 1.00 1.04 H new ATOM 1281 N LEU A 83 -2.587 0.066 6.737 1.00 23.55 N ATOM 1282 CA LEU A 83 -3.891 -0.601 6.692 1.00 55.45 C ATOM 1283 C LEU A 83 -3.663 -2.116 6.829 1.00 1.31 C ATOM 1284 O LEU A 83 -3.195 -2.759 5.901 1.00 14.10 O ATOM 1285 CB LEU A 83 -4.602 -0.243 5.358 1.00 42.32 C ATOM 1286 CG LEU A 83 -5.936 -0.988 5.040 1.00 2.14 C ATOM 1287 CD1 LEU A 83 -6.962 -0.851 6.183 1.00 1.23 C ATOM 1288 CD2 LEU A 83 -6.519 -0.515 3.688 1.00 11.25 C ATOM 0 H LEU A 83 -2.061 -0.021 5.867 1.00 23.55 H new ATOM 0 HA LEU A 83 -4.533 -0.270 7.509 1.00 55.45 H new ATOM 0 HB2 LEU A 83 -4.805 0.828 5.360 1.00 42.32 H new ATOM 0 HB3 LEU A 83 -3.905 -0.434 4.542 1.00 42.32 H new ATOM 0 HG LEU A 83 -5.707 -2.050 4.954 1.00 2.14 H new ATOM 0 HD11 LEU A 83 -7.875 -1.385 5.918 1.00 1.23 H new ATOM 0 HD12 LEU A 83 -6.546 -1.274 7.098 1.00 1.23 H new ATOM 0 HD13 LEU A 83 -7.191 0.203 6.342 1.00 1.23 H new ATOM 0 HD21 LEU A 83 -7.449 -1.047 3.486 1.00 11.25 H new ATOM 0 HD22 LEU A 83 -6.716 0.556 3.732 1.00 11.25 H new ATOM 0 HD23 LEU A 83 -5.804 -0.720 2.892 1.00 11.25 H new ATOM 1300 N LYS A 84 -3.951 -2.663 8.016 1.00 23.24 N ATOM 1301 CA LYS A 84 -3.732 -4.087 8.330 1.00 2.23 C ATOM 1302 C LYS A 84 -5.093 -4.799 8.478 1.00 74.22 C ATOM 1303 O LYS A 84 -5.784 -4.582 9.485 1.00 65.40 O ATOM 1304 CB LYS A 84 -2.921 -4.203 9.652 1.00 11.25 C ATOM 1305 CG LYS A 84 -2.452 -5.637 9.997 1.00 23.53 C ATOM 1306 CD LYS A 84 -1.265 -6.105 9.133 1.00 42.25 C ATOM 1307 CE LYS A 84 0.018 -5.309 9.413 1.00 24.10 C ATOM 1308 NZ LYS A 84 0.419 -5.355 10.841 1.00 34.21 N ATOM 0 H LYS A 84 -4.345 -2.131 8.792 1.00 23.24 H new ATOM 0 HA LYS A 84 -3.172 -4.560 7.523 1.00 2.23 H new ATOM 0 HB2 LYS A 84 -2.047 -3.555 9.584 1.00 11.25 H new ATOM 0 HB3 LYS A 84 -3.533 -3.828 10.472 1.00 11.25 H new ATOM 0 HG2 LYS A 84 -2.167 -5.677 11.048 1.00 23.53 H new ATOM 0 HG3 LYS A 84 -3.285 -6.328 9.865 1.00 23.53 H new ATOM 0 HD2 LYS A 84 -1.080 -7.163 9.319 1.00 42.25 H new ATOM 0 HD3 LYS A 84 -1.526 -6.007 8.079 1.00 42.25 H new ATOM 0 HE2 LYS A 84 0.827 -5.704 8.799 1.00 24.10 H new ATOM 0 HE3 LYS A 84 -0.130 -4.271 9.115 1.00 24.10 H new ATOM 0 HZ1 LYS A 84 1.384 -4.981 10.943 1.00 34.21 H new ATOM 0 HZ2 LYS A 84 -0.237 -4.777 11.405 1.00 34.21 H new ATOM 0 HZ3 LYS A 84 0.391 -6.339 11.178 1.00 34.21 H new ATOM 1322 N SER A 85 -5.480 -5.615 7.473 1.00 44.42 N ATOM 1323 CA SER A 85 -6.748 -6.387 7.498 1.00 1.42 C ATOM 1324 C SER A 85 -6.818 -7.379 6.323 1.00 2.25 C ATOM 1325 O SER A 85 -6.141 -7.210 5.307 1.00 3.41 O ATOM 1326 CB SER A 85 -7.989 -5.451 7.467 1.00 22.34 C ATOM 1327 OG SER A 85 -9.204 -6.185 7.495 1.00 12.14 O ATOM 0 H SER A 85 -4.929 -5.758 6.627 1.00 44.42 H new ATOM 0 HA SER A 85 -6.760 -6.946 8.434 1.00 1.42 H new ATOM 0 HB2 SER A 85 -7.954 -4.773 8.320 1.00 22.34 H new ATOM 0 HB3 SER A 85 -7.957 -4.835 6.568 1.00 22.34 H new ATOM 0 HG SER A 85 -9.941 -5.588 7.742 1.00 12.14 H new ATOM 1333 N THR A 86 -7.670 -8.407 6.495 1.00 61.21 N ATOM 1334 CA THR A 86 -7.962 -9.446 5.486 1.00 22.31 C ATOM 1335 C THR A 86 -9.465 -9.399 5.083 1.00 52.14 C ATOM 1336 O THR A 86 -10.006 -10.376 4.550 1.00 42.33 O ATOM 1337 CB THR A 86 -7.592 -10.865 6.053 1.00 11.22 C ATOM 1338 OG1 THR A 86 -8.332 -11.112 7.266 1.00 71.41 O ATOM 1339 CG2 THR A 86 -6.081 -11.009 6.353 1.00 11.34 C ATOM 0 H THR A 86 -8.189 -8.543 7.363 1.00 61.21 H new ATOM 0 HA THR A 86 -7.359 -9.255 4.598 1.00 22.31 H new ATOM 0 HB THR A 86 -7.852 -11.593 5.284 1.00 11.22 H new ATOM 0 HG1 THR A 86 -8.100 -11.998 7.616 1.00 71.41 H new ATOM 0 HG21 THR A 86 -5.881 -12.007 6.742 1.00 11.34 H new ATOM 0 HG22 THR A 86 -5.512 -10.856 5.436 1.00 11.34 H new ATOM 0 HG23 THR A 86 -5.784 -10.265 7.093 1.00 11.34 H new ATOM 1347 N ASP A 87 -10.122 -8.246 5.334 1.00 1.42 N ATOM 1348 CA ASP A 87 -11.540 -8.005 4.959 1.00 54.22 C ATOM 1349 C ASP A 87 -11.604 -7.293 3.588 1.00 73.54 C ATOM 1350 O ASP A 87 -11.116 -6.174 3.485 1.00 62.13 O ATOM 1351 CB ASP A 87 -12.250 -7.136 6.029 1.00 23.31 C ATOM 1352 CG ASP A 87 -12.425 -7.849 7.373 1.00 15.13 C ATOM 1353 OD1 ASP A 87 -13.279 -8.751 7.453 1.00 32.04 O ATOM 1354 OD2 ASP A 87 -11.721 -7.522 8.348 1.00 70.12 O ATOM 0 H ASP A 87 -9.687 -7.452 5.803 1.00 1.42 H new ATOM 0 HA ASP A 87 -12.049 -8.967 4.897 1.00 54.22 H new ATOM 0 HB2 ASP A 87 -11.677 -6.222 6.183 1.00 23.31 H new ATOM 0 HB3 ASP A 87 -13.229 -6.839 5.654 1.00 23.31 H new ATOM 1359 N PRO A 88 -12.239 -7.904 2.525 1.00 64.22 N ATOM 1360 CA PRO A 88 -12.266 -7.316 1.153 1.00 22.34 C ATOM 1361 C PRO A 88 -12.916 -5.917 1.112 1.00 1.30 C ATOM 1362 O PRO A 88 -12.287 -4.929 0.703 1.00 44.14 O ATOM 1363 CB PRO A 88 -13.078 -8.346 0.311 1.00 54.04 C ATOM 1364 CG PRO A 88 -13.081 -9.609 1.122 1.00 10.13 C ATOM 1365 CD PRO A 88 -12.981 -9.188 2.578 1.00 61.33 C ATOM 0 HA PRO A 88 -11.259 -7.155 0.769 1.00 22.34 H new ATOM 0 HB2 PRO A 88 -14.093 -7.993 0.130 1.00 54.04 H new ATOM 0 HB3 PRO A 88 -12.618 -8.506 -0.664 1.00 54.04 H new ATOM 0 HG2 PRO A 88 -13.992 -10.181 0.945 1.00 10.13 H new ATOM 0 HG3 PRO A 88 -12.244 -10.250 0.845 1.00 10.13 H new ATOM 0 HD2 PRO A 88 -13.966 -9.062 3.027 1.00 61.33 H new ATOM 0 HD3 PRO A 88 -12.452 -9.932 3.174 1.00 61.33 H new ATOM 1373 N GLU A 89 -14.165 -5.849 1.592 1.00 13.34 N ATOM 1374 CA GLU A 89 -14.977 -4.625 1.550 1.00 22.52 C ATOM 1375 C GLU A 89 -14.407 -3.510 2.458 1.00 3.21 C ATOM 1376 O GLU A 89 -14.540 -2.324 2.135 1.00 64.53 O ATOM 1377 CB GLU A 89 -16.441 -4.958 1.918 1.00 73.55 C ATOM 1378 CG GLU A 89 -16.642 -5.534 3.334 1.00 64.44 C ATOM 1379 CD GLU A 89 -18.087 -6.000 3.586 1.00 1.34 C ATOM 1380 OE1 GLU A 89 -18.942 -5.160 3.922 1.00 60.41 O ATOM 1381 OE2 GLU A 89 -18.371 -7.208 3.440 1.00 32.34 O ATOM 0 H GLU A 89 -14.642 -6.642 2.021 1.00 13.34 H new ATOM 0 HA GLU A 89 -14.946 -4.235 0.533 1.00 22.52 H new ATOM 0 HB2 GLU A 89 -17.039 -4.052 1.822 1.00 73.55 H new ATOM 0 HB3 GLU A 89 -16.828 -5.673 1.193 1.00 73.55 H new ATOM 0 HG2 GLU A 89 -15.963 -6.374 3.480 1.00 64.44 H new ATOM 0 HG3 GLU A 89 -16.375 -4.777 4.071 1.00 64.44 H new ATOM 1388 N GLU A 90 -13.738 -3.899 3.570 1.00 52.31 N ATOM 1389 CA GLU A 90 -13.145 -2.932 4.514 1.00 63.54 C ATOM 1390 C GLU A 90 -11.906 -2.270 3.892 1.00 1.24 C ATOM 1391 O GLU A 90 -11.767 -1.046 3.930 1.00 43.15 O ATOM 1392 CB GLU A 90 -12.774 -3.595 5.864 1.00 44.43 C ATOM 1393 CG GLU A 90 -12.267 -2.588 6.920 1.00 53.10 C ATOM 1394 CD GLU A 90 -11.842 -3.236 8.241 1.00 62.43 C ATOM 1395 OE1 GLU A 90 -10.700 -3.715 8.322 1.00 42.42 O ATOM 1396 OE2 GLU A 90 -12.641 -3.264 9.201 1.00 1.25 O ATOM 0 H GLU A 90 -13.598 -4.875 3.831 1.00 52.31 H new ATOM 0 HA GLU A 90 -13.898 -2.170 4.716 1.00 63.54 H new ATOM 0 HB2 GLU A 90 -13.647 -4.115 6.258 1.00 44.43 H new ATOM 0 HB3 GLU A 90 -12.005 -4.348 5.692 1.00 44.43 H new ATOM 0 HG2 GLU A 90 -11.421 -2.039 6.507 1.00 53.10 H new ATOM 0 HG3 GLU A 90 -13.053 -1.860 7.120 1.00 53.10 H new ATOM 1403 N LEU A 91 -11.027 -3.100 3.289 1.00 72.34 N ATOM 1404 CA LEU A 91 -9.827 -2.613 2.582 1.00 62.04 C ATOM 1405 C LEU A 91 -10.229 -1.646 1.439 1.00 5.24 C ATOM 1406 O LEU A 91 -9.594 -0.609 1.256 1.00 52.43 O ATOM 1407 CB LEU A 91 -8.979 -3.796 2.019 1.00 3.45 C ATOM 1408 CG LEU A 91 -8.338 -4.794 3.044 1.00 70.13 C ATOM 1409 CD1 LEU A 91 -7.531 -5.898 2.321 1.00 64.22 C ATOM 1410 CD2 LEU A 91 -7.463 -4.067 4.071 1.00 52.44 C ATOM 0 H LEU A 91 -11.129 -4.115 3.279 1.00 72.34 H new ATOM 0 HA LEU A 91 -9.212 -2.073 3.302 1.00 62.04 H new ATOM 0 HB2 LEU A 91 -9.614 -4.371 1.345 1.00 3.45 H new ATOM 0 HB3 LEU A 91 -8.175 -3.374 1.416 1.00 3.45 H new ATOM 0 HG LEU A 91 -9.157 -5.270 3.584 1.00 70.13 H new ATOM 0 HD11 LEU A 91 -7.099 -6.575 3.058 1.00 64.22 H new ATOM 0 HD12 LEU A 91 -8.192 -6.457 1.659 1.00 64.22 H new ATOM 0 HD13 LEU A 91 -6.733 -5.441 1.736 1.00 64.22 H new ATOM 0 HD21 LEU A 91 -7.036 -4.792 4.764 1.00 52.44 H new ATOM 0 HD22 LEU A 91 -6.659 -3.541 3.556 1.00 52.44 H new ATOM 0 HD23 LEU A 91 -8.070 -3.350 4.624 1.00 52.44 H new ATOM 1422 N THR A 92 -11.330 -1.992 0.720 1.00 34.32 N ATOM 1423 CA THR A 92 -11.845 -1.207 -0.428 1.00 32.02 C ATOM 1424 C THR A 92 -12.327 0.196 0.007 1.00 14.22 C ATOM 1425 O THR A 92 -11.943 1.212 -0.599 1.00 62.20 O ATOM 1426 CB THR A 92 -13.019 -1.963 -1.156 1.00 21.42 C ATOM 1427 OG1 THR A 92 -12.566 -3.248 -1.621 1.00 40.43 O ATOM 1428 CG2 THR A 92 -13.584 -1.165 -2.355 1.00 53.43 C ATOM 0 H THR A 92 -11.884 -2.824 0.922 1.00 34.32 H new ATOM 0 HA THR A 92 -11.014 -1.088 -1.123 1.00 32.02 H new ATOM 0 HB THR A 92 -13.819 -2.082 -0.425 1.00 21.42 H new ATOM 0 HG1 THR A 92 -12.472 -3.857 -0.859 1.00 40.43 H new ATOM 0 HG21 THR A 92 -14.391 -1.731 -2.821 1.00 53.43 H new ATOM 0 HG22 THR A 92 -13.968 -0.207 -2.006 1.00 53.43 H new ATOM 0 HG23 THR A 92 -12.792 -0.994 -3.084 1.00 53.43 H new ATOM 1436 N GLN A 93 -13.156 0.247 1.074 1.00 71.30 N ATOM 1437 CA GLN A 93 -13.707 1.517 1.581 1.00 63.45 C ATOM 1438 C GLN A 93 -12.609 2.352 2.253 1.00 24.23 C ATOM 1439 O GLN A 93 -12.726 3.563 2.359 1.00 14.13 O ATOM 1440 CB GLN A 93 -14.931 1.287 2.529 1.00 10.00 C ATOM 1441 CG GLN A 93 -14.677 0.491 3.841 1.00 31.42 C ATOM 1442 CD GLN A 93 -13.989 1.265 4.982 1.00 32.12 C ATOM 1443 OE1 GLN A 93 -13.254 0.685 5.783 1.00 24.33 O ATOM 1444 NE2 GLN A 93 -14.255 2.561 5.099 1.00 74.54 N ATOM 0 H GLN A 93 -13.455 -0.576 1.597 1.00 71.30 H new ATOM 0 HA GLN A 93 -14.082 2.083 0.728 1.00 63.45 H new ATOM 0 HB2 GLN A 93 -15.336 2.262 2.799 1.00 10.00 H new ATOM 0 HB3 GLN A 93 -15.703 0.766 1.963 1.00 10.00 H new ATOM 0 HG2 GLN A 93 -15.634 0.119 4.207 1.00 31.42 H new ATOM 0 HG3 GLN A 93 -14.067 -0.380 3.601 1.00 31.42 H new ATOM 0 HE21 GLN A 93 -14.867 3.019 4.423 1.00 74.54 H new ATOM 0 HE22 GLN A 93 -13.848 3.098 5.864 1.00 74.54 H new ATOM 1453 N ARG A 94 -11.544 1.690 2.718 1.00 51.11 N ATOM 1454 CA ARG A 94 -10.408 2.364 3.356 1.00 62.21 C ATOM 1455 C ARG A 94 -9.478 2.977 2.281 1.00 33.00 C ATOM 1456 O ARG A 94 -8.772 3.947 2.561 1.00 31.01 O ATOM 1457 CB ARG A 94 -9.665 1.360 4.294 1.00 24.32 C ATOM 1458 CG ARG A 94 -9.225 1.938 5.657 1.00 34.33 C ATOM 1459 CD ARG A 94 -8.135 3.019 5.549 1.00 64.03 C ATOM 1460 NE ARG A 94 -7.567 3.367 6.856 1.00 31.14 N ATOM 1461 CZ ARG A 94 -6.538 4.201 7.051 1.00 53.41 C ATOM 1462 NH1 ARG A 94 -5.934 4.816 6.033 1.00 33.31 N ATOM 1463 NH2 ARG A 94 -6.085 4.390 8.278 1.00 41.10 N ATOM 0 H ARG A 94 -11.445 0.676 2.663 1.00 51.11 H new ATOM 0 HA ARG A 94 -10.761 3.189 3.974 1.00 62.21 H new ATOM 0 HB2 ARG A 94 -10.316 0.505 4.473 1.00 24.32 H new ATOM 0 HB3 ARG A 94 -8.783 0.986 3.774 1.00 24.32 H new ATOM 0 HG2 ARG A 94 -10.095 2.361 6.160 1.00 34.33 H new ATOM 0 HG3 ARG A 94 -8.858 1.126 6.284 1.00 34.33 H new ATOM 0 HD2 ARG A 94 -7.340 2.666 4.892 1.00 64.03 H new ATOM 0 HD3 ARG A 94 -8.556 3.913 5.089 1.00 64.03 H new ATOM 0 HE ARG A 94 -7.989 2.940 7.681 1.00 31.14 H new ATOM 0 HH11 ARG A 94 -6.254 4.656 5.078 1.00 33.31 H new ATOM 0 HH12 ARG A 94 -5.152 5.447 6.210 1.00 33.31 H new ATOM 0 HH21 ARG A 94 -6.519 3.903 9.062 1.00 41.10 H new ATOM 0 HH22 ARG A 94 -5.302 5.023 8.441 1.00 41.10 H new ATOM 1477 N VAL A 95 -9.489 2.407 1.050 1.00 61.05 N ATOM 1478 CA VAL A 95 -8.793 3.007 -0.110 1.00 73.14 C ATOM 1479 C VAL A 95 -9.442 4.364 -0.457 1.00 20.22 C ATOM 1480 O VAL A 95 -8.732 5.358 -0.603 1.00 12.14 O ATOM 1481 CB VAL A 95 -8.772 2.049 -1.376 1.00 64.20 C ATOM 1482 CG1 VAL A 95 -8.216 2.753 -2.648 1.00 10.55 C ATOM 1483 CG2 VAL A 95 -7.971 0.756 -1.088 1.00 22.24 C ATOM 0 H VAL A 95 -9.972 1.534 0.838 1.00 61.05 H new ATOM 0 HA VAL A 95 -7.752 3.161 0.173 1.00 73.14 H new ATOM 0 HB VAL A 95 -9.810 1.783 -1.576 1.00 64.20 H new ATOM 0 HG11 VAL A 95 -8.224 2.053 -3.484 1.00 10.55 H new ATOM 0 HG12 VAL A 95 -8.840 3.614 -2.889 1.00 10.55 H new ATOM 0 HG13 VAL A 95 -7.195 3.086 -2.463 1.00 10.55 H new ATOM 0 HG21 VAL A 95 -7.975 0.121 -1.974 1.00 22.24 H new ATOM 0 HG22 VAL A 95 -6.944 1.014 -0.831 1.00 22.24 H new ATOM 0 HG23 VAL A 95 -8.430 0.222 -0.256 1.00 22.24 H new ATOM 1493 N ARG A 96 -10.799 4.413 -0.527 1.00 1.34 N ATOM 1494 CA ARG A 96 -11.514 5.667 -0.874 1.00 33.33 C ATOM 1495 C ARG A 96 -11.369 6.719 0.234 1.00 75.40 C ATOM 1496 O ARG A 96 -11.170 7.892 -0.063 1.00 51.13 O ATOM 1497 CB ARG A 96 -13.023 5.445 -1.196 1.00 63.22 C ATOM 1498 CG ARG A 96 -13.911 4.986 -0.027 1.00 34.24 C ATOM 1499 CD ARG A 96 -15.403 4.948 -0.368 1.00 65.13 C ATOM 1500 NE ARG A 96 -15.705 4.026 -1.477 1.00 42.41 N ATOM 1501 CZ ARG A 96 -16.830 3.308 -1.599 1.00 34.12 C ATOM 1502 NH1 ARG A 96 -17.792 3.378 -0.683 1.00 72.42 N ATOM 1503 NH2 ARG A 96 -16.987 2.516 -2.648 1.00 72.14 N ATOM 0 H ARG A 96 -11.408 3.614 -0.351 1.00 1.34 H new ATOM 0 HA ARG A 96 -11.038 6.033 -1.784 1.00 33.33 H new ATOM 0 HB2 ARG A 96 -13.429 6.377 -1.588 1.00 63.22 H new ATOM 0 HB3 ARG A 96 -13.097 4.705 -1.993 1.00 63.22 H new ATOM 0 HG2 ARG A 96 -13.594 3.993 0.291 1.00 34.24 H new ATOM 0 HG3 ARG A 96 -13.757 5.655 0.819 1.00 34.24 H new ATOM 0 HD2 ARG A 96 -15.967 4.646 0.515 1.00 65.13 H new ATOM 0 HD3 ARG A 96 -15.738 5.951 -0.632 1.00 65.13 H new ATOM 0 HE ARG A 96 -15.002 3.926 -2.210 1.00 42.41 H new ATOM 0 HH11 ARG A 96 -17.680 3.985 0.129 1.00 72.42 H new ATOM 0 HH12 ARG A 96 -18.642 2.824 -0.792 1.00 72.42 H new ATOM 0 HH21 ARG A 96 -16.255 2.456 -3.356 1.00 72.14 H new ATOM 0 HH22 ARG A 96 -17.840 1.966 -2.749 1.00 72.14 H new ATOM 1517 N GLU A 97 -11.457 6.276 1.510 1.00 52.32 N ATOM 1518 CA GLU A 97 -11.329 7.166 2.680 1.00 11.31 C ATOM 1519 C GLU A 97 -9.913 7.745 2.774 1.00 1.52 C ATOM 1520 O GLU A 97 -9.741 8.894 3.202 1.00 54.34 O ATOM 1521 CB GLU A 97 -11.711 6.428 3.989 1.00 63.21 C ATOM 1522 CG GLU A 97 -13.215 6.111 4.130 1.00 54.11 C ATOM 1523 CD GLU A 97 -14.107 7.363 4.038 1.00 13.25 C ATOM 1524 OE1 GLU A 97 -14.098 8.183 4.986 1.00 22.22 O ATOM 1525 OE2 GLU A 97 -14.813 7.538 3.024 1.00 75.42 O ATOM 0 H GLU A 97 -11.618 5.298 1.753 1.00 52.32 H new ATOM 0 HA GLU A 97 -12.026 7.993 2.547 1.00 11.31 H new ATOM 0 HB2 GLU A 97 -11.150 5.495 4.042 1.00 63.21 H new ATOM 0 HB3 GLU A 97 -11.400 7.036 4.838 1.00 63.21 H new ATOM 0 HG2 GLU A 97 -13.506 5.406 3.351 1.00 54.11 H new ATOM 0 HG3 GLU A 97 -13.388 5.618 5.087 1.00 54.11 H new ATOM 1532 N PHE A 98 -8.911 6.943 2.355 1.00 30.21 N ATOM 1533 CA PHE A 98 -7.513 7.388 2.269 1.00 3.24 C ATOM 1534 C PHE A 98 -7.388 8.514 1.233 1.00 44.02 C ATOM 1535 O PHE A 98 -6.996 9.618 1.576 1.00 21.41 O ATOM 1536 CB PHE A 98 -6.566 6.214 1.897 1.00 4.32 C ATOM 1537 CG PHE A 98 -5.108 6.639 1.717 1.00 23.44 C ATOM 1538 CD1 PHE A 98 -4.271 6.784 2.822 1.00 15.03 C ATOM 1539 CD2 PHE A 98 -4.585 6.938 0.449 1.00 1.22 C ATOM 1540 CE1 PHE A 98 -2.970 7.208 2.667 1.00 13.14 C ATOM 1541 CE2 PHE A 98 -3.280 7.359 0.303 1.00 10.33 C ATOM 1542 CZ PHE A 98 -2.477 7.498 1.411 1.00 71.25 C ATOM 0 H PHE A 98 -9.052 5.974 2.069 1.00 30.21 H new ATOM 0 HA PHE A 98 -7.215 7.760 3.249 1.00 3.24 H new ATOM 0 HB2 PHE A 98 -6.621 5.453 2.675 1.00 4.32 H new ATOM 0 HB3 PHE A 98 -6.918 5.752 0.975 1.00 4.32 H new ATOM 0 HD1 PHE A 98 -4.647 6.562 3.810 1.00 15.03 H new ATOM 0 HD2 PHE A 98 -5.213 6.837 -0.424 1.00 1.22 H new ATOM 0 HE1 PHE A 98 -2.333 7.314 3.532 1.00 13.14 H new ATOM 0 HE2 PHE A 98 -2.889 7.579 -0.679 1.00 10.33 H new ATOM 0 HZ PHE A 98 -1.457 7.835 1.298 1.00 71.25 H new ATOM 1552 N LEU A 99 -7.765 8.199 -0.029 1.00 31.22 N ATOM 1553 CA LEU A 99 -7.671 9.127 -1.183 1.00 44.24 C ATOM 1554 C LEU A 99 -8.453 10.441 -0.929 1.00 42.02 C ATOM 1555 O LEU A 99 -8.085 11.516 -1.428 1.00 62.12 O ATOM 1556 CB LEU A 99 -8.227 8.423 -2.458 1.00 2.44 C ATOM 1557 CG LEU A 99 -7.493 7.116 -2.914 1.00 74.31 C ATOM 1558 CD1 LEU A 99 -8.289 6.378 -4.019 1.00 22.35 C ATOM 1559 CD2 LEU A 99 -6.049 7.410 -3.374 1.00 44.00 C ATOM 0 H LEU A 99 -8.146 7.286 -0.278 1.00 31.22 H new ATOM 0 HA LEU A 99 -6.622 9.387 -1.323 1.00 44.24 H new ATOM 0 HB2 LEU A 99 -9.276 8.182 -2.284 1.00 2.44 H new ATOM 0 HB3 LEU A 99 -8.196 9.136 -3.282 1.00 2.44 H new ATOM 0 HG LEU A 99 -7.437 6.457 -2.048 1.00 74.31 H new ATOM 0 HD11 LEU A 99 -7.753 5.476 -4.313 1.00 22.35 H new ATOM 0 HD12 LEU A 99 -9.274 6.107 -3.639 1.00 22.35 H new ATOM 0 HD13 LEU A 99 -8.402 7.031 -4.884 1.00 22.35 H new ATOM 0 HD21 LEU A 99 -5.569 6.481 -3.683 1.00 44.00 H new ATOM 0 HD22 LEU A 99 -6.069 8.105 -4.213 1.00 44.00 H new ATOM 0 HD23 LEU A 99 -5.488 7.851 -2.551 1.00 44.00 H new ATOM 1571 N LYS A 100 -9.527 10.308 -0.134 1.00 51.53 N ATOM 1572 CA LYS A 100 -10.429 11.401 0.246 1.00 0.33 C ATOM 1573 C LYS A 100 -9.717 12.373 1.205 1.00 52.12 C ATOM 1574 O LYS A 100 -9.641 13.578 0.948 1.00 31.21 O ATOM 1575 CB LYS A 100 -11.695 10.793 0.923 1.00 72.01 C ATOM 1576 CG LYS A 100 -12.866 11.764 1.164 1.00 63.44 C ATOM 1577 CD LYS A 100 -13.470 12.308 -0.156 1.00 14.33 C ATOM 1578 CE LYS A 100 -14.856 12.938 0.051 1.00 73.11 C ATOM 1579 NZ LYS A 100 -15.840 11.935 0.541 1.00 43.45 N ATOM 0 H LYS A 100 -9.797 9.412 0.272 1.00 51.53 H new ATOM 0 HA LYS A 100 -10.724 11.961 -0.641 1.00 0.33 H new ATOM 0 HB2 LYS A 100 -12.053 9.970 0.304 1.00 72.01 H new ATOM 0 HB3 LYS A 100 -11.400 10.366 1.882 1.00 72.01 H new ATOM 0 HG2 LYS A 100 -13.644 11.255 1.733 1.00 63.44 H new ATOM 0 HG3 LYS A 100 -12.521 12.600 1.773 1.00 63.44 H new ATOM 0 HD2 LYS A 100 -12.796 13.051 -0.582 1.00 14.33 H new ATOM 0 HD3 LYS A 100 -13.547 11.496 -0.879 1.00 14.33 H new ATOM 0 HE2 LYS A 100 -14.782 13.757 0.766 1.00 73.11 H new ATOM 0 HE3 LYS A 100 -15.207 13.366 -0.888 1.00 73.11 H new ATOM 0 HZ1 LYS A 100 -16.805 12.275 0.353 1.00 43.45 H new ATOM 0 HZ2 LYS A 100 -15.689 11.031 0.049 1.00 43.45 H new ATOM 0 HZ3 LYS A 100 -15.715 11.797 1.564 1.00 43.45 H new ATOM 1593 N THR A 101 -9.159 11.817 2.289 1.00 33.44 N ATOM 1594 CA THR A 101 -8.537 12.608 3.359 1.00 45.31 C ATOM 1595 C THR A 101 -7.090 13.021 3.007 1.00 74.00 C ATOM 1596 O THR A 101 -6.533 13.948 3.612 1.00 12.14 O ATOM 1597 CB THR A 101 -8.584 11.839 4.716 1.00 52.52 C ATOM 1598 OG1 THR A 101 -8.283 12.748 5.787 1.00 11.12 O ATOM 1599 CG2 THR A 101 -7.617 10.633 4.754 1.00 21.43 C ATOM 0 H THR A 101 -9.126 10.810 2.448 1.00 33.44 H new ATOM 0 HA THR A 101 -9.117 13.525 3.463 1.00 45.31 H new ATOM 0 HB THR A 101 -9.590 11.437 4.832 1.00 52.52 H new ATOM 0 HG1 THR A 101 -7.734 12.292 6.458 1.00 11.12 H new ATOM 0 HG21 THR A 101 -7.693 10.136 5.721 1.00 21.43 H new ATOM 0 HG22 THR A 101 -7.881 9.930 3.964 1.00 21.43 H new ATOM 0 HG23 THR A 101 -6.595 10.981 4.604 1.00 21.43 H new ATOM 1607 N ALA A 102 -6.491 12.315 2.022 1.00 30.14 N ATOM 1608 CA ALA A 102 -5.134 12.595 1.518 1.00 22.32 C ATOM 1609 C ALA A 102 -5.102 13.906 0.721 1.00 13.24 C ATOM 1610 O ALA A 102 -4.033 14.474 0.506 1.00 32.32 O ATOM 1611 CB ALA A 102 -4.622 11.428 0.668 1.00 13.32 C ATOM 0 H ALA A 102 -6.942 11.529 1.553 1.00 30.14 H new ATOM 0 HA ALA A 102 -4.472 12.709 2.376 1.00 22.32 H new ATOM 0 HB1 ALA A 102 -3.619 11.654 0.306 1.00 13.32 H new ATOM 0 HB2 ALA A 102 -4.593 10.522 1.273 1.00 13.32 H new ATOM 0 HB3 ALA A 102 -5.289 11.276 -0.181 1.00 13.32 H new ATOM 1617 N GLY A 103 -6.295 14.379 0.294 1.00 54.24 N ATOM 1618 CA GLY A 103 -6.449 15.716 -0.299 1.00 45.15 C ATOM 1619 C GLY A 103 -6.205 16.861 0.700 1.00 2.54 C ATOM 1620 O GLY A 103 -6.242 18.036 0.320 1.00 33.24 O ATOM 0 H GLY A 103 -7.164 13.848 0.352 1.00 54.24 H new ATOM 0 HA2 GLY A 103 -5.754 15.817 -1.133 1.00 45.15 H new ATOM 0 HA3 GLY A 103 -7.455 15.810 -0.709 1.00 45.15 H new ATOM 1624 N SER A 104 -5.973 16.508 1.977 1.00 14.22 N ATOM 1625 CA SER A 104 -5.578 17.440 3.052 1.00 61.31 C ATOM 1626 C SER A 104 -4.193 17.042 3.614 1.00 51.51 C ATOM 1627 O SER A 104 -3.545 16.107 3.107 1.00 25.20 O ATOM 1628 CB SER A 104 -6.659 17.398 4.164 1.00 64.21 C ATOM 1629 OG SER A 104 -6.466 18.420 5.137 1.00 75.42 O ATOM 0 H SER A 104 -6.057 15.544 2.299 1.00 14.22 H new ATOM 0 HA SER A 104 -5.502 18.455 2.662 1.00 61.31 H new ATOM 0 HB2 SER A 104 -7.646 17.508 3.714 1.00 64.21 H new ATOM 0 HB3 SER A 104 -6.638 16.424 4.653 1.00 64.21 H new ATOM 0 HG SER A 104 -7.168 18.360 5.818 1.00 75.42 H new ATOM 1635 N LEU A 105 -3.737 17.763 4.662 1.00 72.40 N ATOM 1636 CA LEU A 105 -2.537 17.390 5.428 1.00 4.14 C ATOM 1637 C LEU A 105 -2.925 16.316 6.465 1.00 52.42 C ATOM 1638 O LEU A 105 -3.081 16.609 7.656 1.00 54.34 O ATOM 1639 CB LEU A 105 -1.900 18.638 6.112 1.00 64.12 C ATOM 1640 CG LEU A 105 -1.307 19.729 5.162 1.00 42.40 C ATOM 1641 CD1 LEU A 105 -0.749 20.927 5.965 1.00 20.01 C ATOM 1642 CD2 LEU A 105 -0.236 19.138 4.206 1.00 34.21 C ATOM 0 H LEU A 105 -4.190 18.614 4.996 1.00 72.40 H new ATOM 0 HA LEU A 105 -1.785 16.981 4.753 1.00 4.14 H new ATOM 0 HB2 LEU A 105 -2.658 19.107 6.739 1.00 64.12 H new ATOM 0 HB3 LEU A 105 -1.106 18.295 6.775 1.00 64.12 H new ATOM 0 HG LEU A 105 -2.123 20.098 4.541 1.00 42.40 H new ATOM 0 HD11 LEU A 105 -0.344 21.669 5.277 1.00 20.01 H new ATOM 0 HD12 LEU A 105 -1.550 21.376 6.552 1.00 20.01 H new ATOM 0 HD13 LEU A 105 0.040 20.582 6.632 1.00 20.01 H new ATOM 0 HD21 LEU A 105 0.152 19.927 3.562 1.00 34.21 H new ATOM 0 HD22 LEU A 105 0.580 18.713 4.791 1.00 34.21 H new ATOM 0 HD23 LEU A 105 -0.687 18.358 3.593 1.00 34.21 H new ATOM 1654 N GLU A 106 -3.150 15.084 5.975 1.00 10.25 N ATOM 1655 CA GLU A 106 -3.499 13.947 6.830 1.00 22.12 C ATOM 1656 C GLU A 106 -2.246 13.460 7.585 1.00 72.03 C ATOM 1657 O GLU A 106 -1.237 13.098 6.972 1.00 22.44 O ATOM 1658 CB GLU A 106 -4.151 12.804 5.998 1.00 31.32 C ATOM 1659 CG GLU A 106 -4.485 11.509 6.785 1.00 71.31 C ATOM 1660 CD GLU A 106 -5.457 11.712 7.969 1.00 22.41 C ATOM 1661 OE1 GLU A 106 -5.012 12.084 9.062 1.00 34.04 O ATOM 1662 OE2 GLU A 106 -6.657 11.488 7.820 1.00 30.13 O ATOM 0 H GLU A 106 -3.094 14.855 4.983 1.00 10.25 H new ATOM 0 HA GLU A 106 -4.238 14.267 7.565 1.00 22.12 H new ATOM 0 HB2 GLU A 106 -5.070 13.183 5.551 1.00 31.32 H new ATOM 0 HB3 GLU A 106 -3.480 12.547 5.179 1.00 31.32 H new ATOM 0 HG2 GLU A 106 -4.917 10.782 6.097 1.00 71.31 H new ATOM 0 HG3 GLU A 106 -3.557 11.079 7.162 1.00 71.31 H new ATOM 1669 N HIS A 107 -2.329 13.477 8.924 1.00 14.54 N ATOM 1670 CA HIS A 107 -1.219 13.113 9.829 1.00 44.21 C ATOM 1671 C HIS A 107 -1.495 11.771 10.536 1.00 20.24 C ATOM 1672 O HIS A 107 -0.910 11.491 11.590 1.00 51.31 O ATOM 1673 CB HIS A 107 -1.008 14.254 10.862 1.00 71.42 C ATOM 1674 CG HIS A 107 -0.596 15.564 10.240 1.00 52.33 C ATOM 1675 ND1 HIS A 107 -1.380 16.698 10.258 1.00 31.10 N ATOM 1676 CD2 HIS A 107 0.533 15.908 9.577 1.00 11.52 C ATOM 1677 CE1 HIS A 107 -0.752 17.675 9.631 1.00 4.31 C ATOM 1678 NE2 HIS A 107 0.407 17.217 9.210 1.00 22.51 N ATOM 0 H HIS A 107 -3.179 13.747 9.419 1.00 14.54 H new ATOM 0 HA HIS A 107 -0.309 12.987 9.243 1.00 44.21 H new ATOM 0 HB2 HIS A 107 -1.932 14.402 11.421 1.00 71.42 H new ATOM 0 HB3 HIS A 107 -0.247 13.947 11.579 1.00 71.42 H new ATOM 0 HD2 HIS A 107 1.377 15.266 9.376 1.00 11.52 H new ATOM 0 HE1 HIS A 107 -1.126 18.678 9.488 1.00 4.31 H new ATOM 0 HE2 HIS A 107 1.102 17.755 8.691 1.00 22.51 H new ATOM 1687 N HIS A 108 -2.390 10.948 9.942 1.00 22.43 N ATOM 1688 CA HIS A 108 -2.659 9.568 10.405 1.00 31.51 C ATOM 1689 C HIS A 108 -1.396 8.706 10.156 1.00 54.24 C ATOM 1690 O HIS A 108 -1.234 8.106 9.084 1.00 64.01 O ATOM 1691 CB HIS A 108 -3.901 8.980 9.664 1.00 73.44 C ATOM 1692 CG HIS A 108 -4.429 7.674 10.207 1.00 64.42 C ATOM 1693 ND1 HIS A 108 -5.693 7.538 10.734 1.00 62.52 N ATOM 1694 CD2 HIS A 108 -3.872 6.441 10.276 1.00 72.21 C ATOM 1695 CE1 HIS A 108 -5.882 6.292 11.102 1.00 13.54 C ATOM 1696 NE2 HIS A 108 -4.794 5.609 10.835 1.00 54.54 N ATOM 0 H HIS A 108 -2.944 11.222 9.131 1.00 22.43 H new ATOM 0 HA HIS A 108 -2.886 9.569 11.471 1.00 31.51 H new ATOM 0 HB2 HIS A 108 -4.703 9.717 9.697 1.00 73.44 H new ATOM 0 HB3 HIS A 108 -3.642 8.838 8.615 1.00 73.44 H new ATOM 0 HD2 HIS A 108 -2.880 6.168 9.948 1.00 72.21 H new ATOM 0 HE1 HIS A 108 -6.782 5.896 11.549 1.00 13.54 H new ATOM 0 HE2 HIS A 108 -4.660 4.614 11.017 1.00 54.54 H new ATOM 1705 N HIS A 109 -0.500 8.716 11.143 1.00 73.35 N ATOM 1706 CA HIS A 109 0.832 8.114 11.058 1.00 72.14 C ATOM 1707 C HIS A 109 1.461 8.083 12.461 1.00 5.42 C ATOM 1708 O HIS A 109 1.321 9.039 13.233 1.00 23.25 O ATOM 1709 CB HIS A 109 1.739 8.923 10.072 1.00 53.03 C ATOM 1710 CG HIS A 109 3.182 8.488 10.056 1.00 33.40 C ATOM 1711 ND1 HIS A 109 4.215 9.265 10.535 1.00 72.21 N ATOM 1712 CD2 HIS A 109 3.751 7.336 9.655 1.00 63.30 C ATOM 1713 CE1 HIS A 109 5.345 8.606 10.436 1.00 44.13 C ATOM 1714 NE2 HIS A 109 5.096 7.431 9.907 1.00 75.13 N ATOM 0 H HIS A 109 -0.684 9.153 12.046 1.00 73.35 H new ATOM 0 HA HIS A 109 0.744 7.097 10.677 1.00 72.14 H new ATOM 0 HB2 HIS A 109 1.333 8.830 9.065 1.00 53.03 H new ATOM 0 HB3 HIS A 109 1.693 9.979 10.338 1.00 53.03 H new ATOM 0 HD2 HIS A 109 3.242 6.491 9.215 1.00 63.30 H new ATOM 0 HE1 HIS A 109 6.316 8.969 10.739 1.00 44.13 H new ATOM 0 HE2 HIS A 109 5.789 6.707 9.715 1.00 75.13 H new ATOM 1723 N HIS A 110 2.143 6.978 12.772 1.00 12.33 N ATOM 1724 CA HIS A 110 2.938 6.816 14.000 1.00 53.41 C ATOM 1725 C HIS A 110 4.366 6.372 13.649 1.00 32.33 C ATOM 1726 O HIS A 110 4.692 6.174 12.472 1.00 14.32 O ATOM 1727 CB HIS A 110 2.235 5.824 14.965 1.00 62.11 C ATOM 1728 CG HIS A 110 1.085 6.435 15.723 1.00 73.51 C ATOM 1729 ND1 HIS A 110 -0.231 6.083 15.535 1.00 33.31 N ATOM 1730 CD2 HIS A 110 1.078 7.390 16.685 1.00 30.03 C ATOM 1731 CE1 HIS A 110 -0.992 6.797 16.342 1.00 71.12 C ATOM 1732 NE2 HIS A 110 -0.223 7.596 17.049 1.00 53.44 N ATOM 0 H HIS A 110 2.161 6.155 12.170 1.00 12.33 H new ATOM 0 HA HIS A 110 3.012 7.773 14.516 1.00 53.41 H new ATOM 0 HB2 HIS A 110 1.870 4.970 14.393 1.00 62.11 H new ATOM 0 HB3 HIS A 110 2.967 5.442 15.677 1.00 62.11 H new ATOM 0 HD2 HIS A 110 1.942 7.896 17.090 1.00 30.03 H new ATOM 0 HE1 HIS A 110 -2.068 6.736 16.411 1.00 71.12 H new ATOM 0 HE2 HIS A 110 -0.545 8.260 17.753 1.00 53.44 H new ATOM 1741 N HIS A 111 5.207 6.210 14.690 1.00 44.25 N ATOM 1742 CA HIS A 111 6.669 5.960 14.551 1.00 34.55 C ATOM 1743 C HIS A 111 6.966 4.630 13.817 1.00 2.30 C ATOM 1744 O HIS A 111 8.064 4.441 13.278 1.00 32.11 O ATOM 1745 CB HIS A 111 7.354 5.971 15.953 1.00 13.43 C ATOM 1746 CG HIS A 111 7.341 7.305 16.666 1.00 51.52 C ATOM 1747 ND1 HIS A 111 8.349 7.708 17.514 1.00 41.15 N ATOM 1748 CD2 HIS A 111 6.427 8.309 16.685 1.00 33.13 C ATOM 1749 CE1 HIS A 111 8.057 8.889 18.019 1.00 52.33 C ATOM 1750 NE2 HIS A 111 6.897 9.276 17.533 1.00 72.33 N ATOM 0 H HIS A 111 4.896 6.248 15.661 1.00 44.25 H new ATOM 0 HA HIS A 111 7.081 6.765 13.942 1.00 34.55 H new ATOM 0 HB2 HIS A 111 6.861 5.234 16.586 1.00 13.43 H new ATOM 0 HB3 HIS A 111 8.389 5.650 15.836 1.00 13.43 H new ATOM 0 HD2 HIS A 111 5.499 8.339 16.133 1.00 33.13 H new ATOM 0 HE1 HIS A 111 8.667 9.446 18.715 1.00 52.33 H new ATOM 0 HE2 HIS A 111 6.425 10.153 17.752 1.00 72.33 H new ATOM 1759 N HIS A 112 5.983 3.719 13.831 1.00 63.20 N ATOM 1760 CA HIS A 112 6.022 2.447 13.094 1.00 10.33 C ATOM 1761 C HIS A 112 4.588 2.115 12.614 1.00 44.31 C ATOM 1762 O HIS A 112 4.313 2.200 11.407 1.00 74.44 O ATOM 1763 CB HIS A 112 6.601 1.310 13.985 1.00 64.21 C ATOM 1764 CG HIS A 112 6.810 0.005 13.255 1.00 23.41 C ATOM 1765 ND1 HIS A 112 6.095 -1.147 13.525 1.00 75.32 N ATOM 1766 CD2 HIS A 112 7.687 -0.326 12.278 1.00 60.31 C ATOM 1767 CE1 HIS A 112 6.526 -2.120 12.747 1.00 44.12 C ATOM 1768 NE2 HIS A 112 7.488 -1.647 11.984 1.00 31.55 N ATOM 1769 OXT HIS A 112 3.728 1.810 13.467 1.00 38.02 O ATOM 0 H HIS A 112 5.123 3.847 14.364 1.00 63.20 H new ATOM 0 HA HIS A 112 6.679 2.538 12.229 1.00 10.33 H new ATOM 0 HB2 HIS A 112 7.553 1.638 14.402 1.00 64.21 H new ATOM 0 HB3 HIS A 112 5.927 1.141 14.825 1.00 64.21 H new ATOM 0 HD2 HIS A 112 8.409 0.331 11.817 1.00 60.31 H new ATOM 0 HE1 HIS A 112 6.153 -3.133 12.737 1.00 44.12 H new ATOM 0 HE2 HIS A 112 8.004 -2.181 11.284 1.00 31.55 H new TER 1778 HIS A 112