USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 785 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 60 HIS :FLIP no HD1:sc= -2.19 F(o=-3.6,f=-2.2) USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc= -0.0269 F(o=-3.5,f=-2.2) USER MOD Set 2.1: A 21 THR OG1 : rot 116:sc= 1.41 USER MOD Set 2.2: A 43 HIS : no HD1:sc= 0 X(o=1.4,f=1.3) USER MOD Set 3.1: A 23 SER OG : rot 47:sc= -0.646 USER MOD Set 3.2: A 25 HIS : no HE2:sc= -0.362 K(o=-1,f=-2.5!) USER MOD Set 4.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 26 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0495 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 3 HIS : no HE2:sc= -0.143 X(o=-0.14,f=-0.31) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 156:sc= 0 (180deg=-0.77) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0152) USER MOD Single : A 20 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.59) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 27 MET CE :methyl -145:sc= -1.72 (180deg=-5.26!) USER MOD Single : A 28 SER OG : rot 13:sc= 0.0361 USER MOD Single : A 29 LYS NZ :NH3+ 135:sc= 0.403 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -130:sc= -0.0795 USER MOD Single : A 40 SER OG : rot 30:sc=0.000244 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-3.3) USER MOD Single : A 53 HIS : no HD1:sc= -0.264 K(o=-0.26,f=-1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-0.72) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.044 USER MOD Single : A 66 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.64) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.5) USER MOD Single : A 74 GLN : amide:sc= -0.0323 K(o=-0.032,f=-0.84) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0526) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.117 1.243 1.776 1.00 0.00 N ATOM 2 CA GLY A 1 1.181 0.373 1.310 1.00 0.00 C ATOM 3 C GLY A 1 0.822 -0.342 0.023 1.00 0.00 C ATOM 4 O GLY A 1 -0.355 -0.547 -0.274 1.00 0.00 O ATOM 0 H1 GLY A 1 0.406 2.236 1.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.743 1.069 1.218 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.076 1.049 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.086 0.961 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.408 -0.364 2.081 1.00 0.00 H new ATOM 8 N SER A 2 1.839 -0.723 -0.744 1.00 0.00 N ATOM 9 CA SER A 2 1.624 -1.415 -2.010 1.00 0.00 C ATOM 10 C SER A 2 2.763 -2.389 -2.295 1.00 0.00 C ATOM 11 O SER A 2 3.903 -1.981 -2.523 1.00 0.00 O ATOM 12 CB SER A 2 1.502 -0.406 -3.153 1.00 0.00 C ATOM 13 OG SER A 2 0.496 0.554 -2.881 1.00 0.00 O ATOM 0 H SER A 2 2.819 -0.564 -0.511 1.00 0.00 H new ATOM 0 HA SER A 2 0.695 -1.980 -1.934 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.458 0.097 -3.302 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.269 -0.929 -4.080 1.00 0.00 H new ATOM 0 HG SER A 2 0.439 1.188 -3.626 1.00 0.00 H new ATOM 19 N HIS A 3 2.446 -3.680 -2.282 1.00 0.00 N ATOM 20 CA HIS A 3 3.442 -4.714 -2.541 1.00 0.00 C ATOM 21 C HIS A 3 2.918 -5.734 -3.548 1.00 0.00 C ATOM 22 O HIS A 3 1.716 -5.813 -3.796 1.00 0.00 O ATOM 23 CB HIS A 3 3.827 -5.418 -1.239 1.00 0.00 C ATOM 24 CG HIS A 3 4.999 -4.795 -0.545 1.00 0.00 C ATOM 25 ND1 HIS A 3 6.146 -4.407 -1.207 1.00 0.00 N ATOM 26 CD2 HIS A 3 5.198 -4.491 0.759 1.00 0.00 C ATOM 27 CE1 HIS A 3 6.999 -3.893 -0.339 1.00 0.00 C ATOM 28 NE2 HIS A 3 6.448 -3.933 0.861 1.00 0.00 N ATOM 0 H HIS A 3 1.508 -4.035 -2.095 1.00 0.00 H new ATOM 0 HA HIS A 3 4.326 -4.235 -2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.970 -5.411 -0.565 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.055 -6.462 -1.454 1.00 0.00 H new ATOM 0 HD1 HIS A 3 6.310 -4.502 -2.209 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.503 -4.657 1.569 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.980 -3.506 -0.571 1.00 0.00 H new ATOM 36 N MET A 4 3.829 -6.511 -4.124 1.00 0.00 N ATOM 37 CA MET A 4 3.458 -7.525 -5.104 1.00 0.00 C ATOM 38 C MET A 4 2.584 -8.602 -4.468 1.00 0.00 C ATOM 39 O MET A 4 2.761 -8.949 -3.300 1.00 0.00 O ATOM 40 CB MET A 4 4.710 -8.162 -5.710 1.00 0.00 C ATOM 41 CG MET A 4 4.439 -8.935 -6.990 1.00 0.00 C ATOM 42 SD MET A 4 5.713 -10.162 -7.343 1.00 0.00 S ATOM 43 CE MET A 4 6.750 -9.254 -8.487 1.00 0.00 C ATOM 0 H MET A 4 4.829 -6.458 -3.929 1.00 0.00 H new ATOM 0 HA MET A 4 2.887 -7.038 -5.895 1.00 0.00 H new ATOM 0 HB2 MET A 4 5.442 -7.381 -5.915 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.157 -8.834 -4.977 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.472 -9.433 -6.912 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.371 -8.237 -7.824 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.585 -9.882 -8.798 1.00 0.00 H new ATOM 0 HE2 MET A 4 6.165 -8.970 -9.361 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.132 -8.357 -7.999 1.00 0.00 H new ATOM 53 N VAL A 5 1.640 -9.126 -5.243 1.00 0.00 N ATOM 54 CA VAL A 5 0.739 -10.163 -4.755 1.00 0.00 C ATOM 55 C VAL A 5 0.068 -10.896 -5.911 1.00 0.00 C ATOM 56 O VAL A 5 -0.230 -10.302 -6.947 1.00 0.00 O ATOM 57 CB VAL A 5 -0.347 -9.576 -3.834 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.249 -8.627 -4.610 1.00 0.00 C ATOM 59 CG2 VAL A 5 -1.160 -10.689 -3.191 1.00 0.00 C ATOM 0 H VAL A 5 1.479 -8.849 -6.212 1.00 0.00 H new ATOM 0 HA VAL A 5 1.346 -10.867 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 5 0.142 -9.010 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.010 -8.222 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.653 -7.811 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.731 -9.168 -5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.922 -10.255 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.639 -11.285 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.502 -11.326 -2.600 1.00 0.00 H new ATOM 69 N ASP A 6 -0.168 -12.190 -5.726 1.00 0.00 N ATOM 70 CA ASP A 6 -0.806 -13.006 -6.753 1.00 0.00 C ATOM 71 C ASP A 6 -1.921 -13.859 -6.155 1.00 0.00 C ATOM 72 O ASP A 6 -2.390 -14.812 -6.778 1.00 0.00 O ATOM 73 CB ASP A 6 0.227 -13.902 -7.438 1.00 0.00 C ATOM 74 CG ASP A 6 0.924 -13.205 -8.590 1.00 0.00 C ATOM 75 OD1 ASP A 6 1.690 -12.253 -8.332 1.00 0.00 O ATOM 76 OD2 ASP A 6 0.705 -13.613 -9.749 1.00 0.00 O ATOM 0 H ASP A 6 0.073 -12.697 -4.874 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.243 -12.337 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.970 -14.220 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.264 -14.803 -7.806 1.00 0.00 H new ATOM 81 N LYS A 7 -2.339 -13.511 -4.943 1.00 0.00 N ATOM 82 CA LYS A 7 -3.399 -14.244 -4.259 1.00 0.00 C ATOM 83 C LYS A 7 -3.099 -15.739 -4.238 1.00 0.00 C ATOM 84 O LYS A 7 -3.708 -16.529 -4.960 1.00 0.00 O ATOM 85 CB LYS A 7 -4.744 -13.992 -4.944 1.00 0.00 C ATOM 86 CG LYS A 7 -5.551 -12.874 -4.306 1.00 0.00 C ATOM 87 CD LYS A 7 -6.803 -12.562 -5.109 1.00 0.00 C ATOM 88 CE LYS A 7 -6.515 -11.572 -6.227 1.00 0.00 C ATOM 89 NZ LYS A 7 -7.749 -11.210 -6.979 1.00 0.00 N ATOM 0 H LYS A 7 -1.960 -12.726 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.450 -13.887 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.569 -13.750 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.331 -14.910 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.830 -13.159 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.935 -11.978 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.205 -13.483 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.568 -12.154 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.068 -10.671 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.784 -12.001 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.511 -10.534 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.162 -12.066 -7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.437 -10.777 -6.330 1.00 0.00 H new ATOM 103 N PRO A 8 -2.141 -16.139 -3.389 1.00 0.00 N ATOM 104 CA PRO A 8 -1.741 -17.543 -3.251 1.00 0.00 C ATOM 105 C PRO A 8 -2.820 -18.391 -2.586 1.00 0.00 C ATOM 106 O PRO A 8 -3.866 -17.880 -2.184 1.00 0.00 O ATOM 107 CB PRO A 8 -0.495 -17.471 -2.364 1.00 0.00 C ATOM 108 CG PRO A 8 -0.655 -16.210 -1.588 1.00 0.00 C ATOM 109 CD PRO A 8 -1.374 -15.252 -2.498 1.00 0.00 C ATOM 0 HA PRO A 8 -1.566 -18.014 -4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.428 -18.336 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.416 -17.455 -2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.225 -16.383 -0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.314 -15.811 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.027 -14.581 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.676 -14.627 -3.056 1.00 0.00 H new ATOM 117 N LYS A 9 -2.561 -19.689 -2.474 1.00 0.00 N ATOM 118 CA LYS A 9 -3.509 -20.608 -1.856 1.00 0.00 C ATOM 119 C LYS A 9 -2.781 -21.762 -1.174 1.00 0.00 C ATOM 120 O LYS A 9 -1.888 -22.377 -1.757 1.00 0.00 O ATOM 121 CB LYS A 9 -4.480 -21.153 -2.906 1.00 0.00 C ATOM 122 CG LYS A 9 -3.794 -21.671 -4.159 1.00 0.00 C ATOM 123 CD LYS A 9 -4.711 -22.579 -4.961 1.00 0.00 C ATOM 124 CE LYS A 9 -5.938 -21.831 -5.461 1.00 0.00 C ATOM 125 NZ LYS A 9 -6.822 -22.704 -6.281 1.00 0.00 N ATOM 0 H LYS A 9 -1.702 -20.129 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.071 -20.059 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.066 -21.959 -2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.180 -20.365 -3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.481 -20.830 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.892 -22.216 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.165 -22.992 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.023 -23.420 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.498 -21.443 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.623 -20.972 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.647 -22.158 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.295 -23.054 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.143 -23.510 -5.707 1.00 0.00 H new ATOM 139 N MET A 10 -3.171 -22.052 0.064 1.00 0.00 N ATOM 140 CA MET A 10 -2.557 -23.135 0.824 1.00 0.00 C ATOM 141 C MET A 10 -3.619 -23.990 1.507 1.00 0.00 C ATOM 142 O MET A 10 -4.768 -23.572 1.650 1.00 0.00 O ATOM 143 CB MET A 10 -1.590 -22.570 1.867 1.00 0.00 C ATOM 144 CG MET A 10 -2.144 -21.373 2.623 1.00 0.00 C ATOM 145 SD MET A 10 -1.436 -21.206 4.272 1.00 0.00 S ATOM 146 CE MET A 10 -2.747 -21.900 5.276 1.00 0.00 C ATOM 0 H MET A 10 -3.908 -21.553 0.561 1.00 0.00 H new ATOM 0 HA MET A 10 -2.002 -23.765 0.129 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.338 -23.355 2.580 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.663 -22.280 1.372 1.00 0.00 H new ATOM 0 HG2 MET A 10 -1.946 -20.465 2.053 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.227 -21.469 2.705 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.332 -22.261 6.217 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.494 -21.133 5.479 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.213 -22.729 4.743 1.00 0.00 H new ATOM 156 N MET A 11 -3.228 -25.188 1.927 1.00 0.00 N ATOM 157 CA MET A 11 -4.147 -26.101 2.597 1.00 0.00 C ATOM 158 C MET A 11 -3.621 -26.488 3.975 1.00 0.00 C ATOM 159 O MET A 11 -2.411 -26.522 4.201 1.00 0.00 O ATOM 160 CB MET A 11 -4.362 -27.356 1.749 1.00 0.00 C ATOM 161 CG MET A 11 -3.100 -28.183 1.557 1.00 0.00 C ATOM 162 SD MET A 11 -2.136 -27.657 0.128 1.00 0.00 S ATOM 163 CE MET A 11 -2.535 -28.950 -1.045 1.00 0.00 C ATOM 0 H MET A 11 -2.281 -25.550 1.815 1.00 0.00 H new ATOM 0 HA MET A 11 -5.101 -25.589 2.723 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.125 -27.976 2.219 1.00 0.00 H new ATOM 0 HB3 MET A 11 -4.747 -27.063 0.772 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.483 -28.111 2.453 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.372 -29.232 1.441 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.012 -28.764 -1.983 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.226 -29.915 -0.642 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.610 -28.959 -1.224 1.00 0.00 H new ATOM 173 N ILE A 12 -4.537 -26.779 4.893 1.00 0.00 N ATOM 174 CA ILE A 12 -4.165 -27.164 6.248 1.00 0.00 C ATOM 175 C ILE A 12 -5.044 -28.301 6.758 1.00 0.00 C ATOM 176 O ILE A 12 -6.269 -28.189 6.782 1.00 0.00 O ATOM 177 CB ILE A 12 -4.269 -25.974 7.221 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.577 -25.213 6.992 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.074 -25.047 7.054 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.122 -24.558 8.241 1.00 0.00 C ATOM 0 H ILE A 12 -5.542 -26.755 4.722 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.129 -27.499 6.207 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.267 -26.357 8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.415 -24.449 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.324 -25.902 6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.162 -24.211 7.748 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.156 -25.596 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.047 -24.669 6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.050 -24.037 8.004 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.317 -25.320 8.996 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.393 -23.844 8.625 1.00 0.00 H new ATOM 192 N ALA A 13 -4.409 -29.395 7.166 1.00 0.00 N ATOM 193 CA ALA A 13 -5.133 -30.551 7.679 1.00 0.00 C ATOM 194 C ALA A 13 -5.420 -30.402 9.170 1.00 0.00 C ATOM 195 O ALA A 13 -4.508 -30.194 9.970 1.00 0.00 O ATOM 196 CB ALA A 13 -4.346 -31.826 7.416 1.00 0.00 C ATOM 0 H ALA A 13 -3.395 -29.505 7.151 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.088 -30.612 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.899 -32.681 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.197 -31.947 6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.377 -31.764 7.912 1.00 0.00 H new ATOM 202 N PHE A 14 -6.693 -30.509 9.536 1.00 0.00 N ATOM 203 CA PHE A 14 -7.100 -30.385 10.931 1.00 0.00 C ATOM 204 C PHE A 14 -7.777 -31.663 11.416 1.00 0.00 C ATOM 205 O PHE A 14 -8.585 -32.261 10.705 1.00 0.00 O ATOM 206 CB PHE A 14 -8.048 -29.196 11.103 1.00 0.00 C ATOM 207 CG PHE A 14 -9.499 -29.583 11.116 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.200 -29.733 9.931 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.162 -29.796 12.314 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.535 -30.089 9.939 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.497 -30.153 12.329 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.185 -30.299 11.140 1.00 0.00 C ATOM 0 H PHE A 14 -7.460 -30.681 8.886 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.205 -30.219 11.531 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.809 -28.683 12.034 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.877 -28.485 10.294 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.697 -29.570 8.989 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.629 -29.682 13.247 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.070 -30.203 9.008 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.002 -30.318 13.269 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.229 -30.577 11.149 1.00 0.00 H new ATOM 222 N THR A 15 -7.440 -32.079 12.633 1.00 0.00 N ATOM 223 CA THR A 15 -8.012 -33.287 13.214 1.00 0.00 C ATOM 224 C THR A 15 -9.359 -32.998 13.867 1.00 0.00 C ATOM 225 O THR A 15 -9.426 -32.368 14.923 1.00 0.00 O ATOM 226 CB THR A 15 -7.069 -33.907 14.262 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.744 -34.008 13.731 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.558 -35.285 14.682 1.00 0.00 C ATOM 0 H THR A 15 -6.773 -31.596 13.236 1.00 0.00 H new ATOM 0 HA THR A 15 -8.151 -33.995 12.397 1.00 0.00 H new ATOM 0 HB THR A 15 -7.060 -33.259 15.138 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.151 -34.402 14.405 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.876 -35.703 15.423 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.555 -35.201 15.114 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.593 -35.940 13.811 1.00 0.00 H new ATOM 236 N CYS A 16 -10.430 -33.462 13.233 1.00 0.00 N ATOM 237 CA CYS A 16 -11.777 -33.254 13.752 1.00 0.00 C ATOM 238 C CYS A 16 -11.968 -33.986 15.076 1.00 0.00 C ATOM 239 O CYS A 16 -12.025 -35.215 15.116 1.00 0.00 O ATOM 240 CB CYS A 16 -12.817 -33.730 12.737 1.00 0.00 C ATOM 241 SG CYS A 16 -14.470 -33.046 12.998 1.00 0.00 S ATOM 0 H CYS A 16 -10.392 -33.985 12.358 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.912 -32.186 13.925 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.479 -33.464 11.735 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.875 -34.818 12.776 1.00 0.00 H new ATOM 246 N LYS A 17 -12.065 -33.223 16.160 1.00 0.00 N ATOM 247 CA LYS A 17 -12.250 -33.798 17.487 1.00 0.00 C ATOM 248 C LYS A 17 -13.655 -34.372 17.641 1.00 0.00 C ATOM 249 O LYS A 17 -13.949 -35.072 18.610 1.00 0.00 O ATOM 250 CB LYS A 17 -11.999 -32.740 18.563 1.00 0.00 C ATOM 251 CG LYS A 17 -13.039 -31.633 18.582 1.00 0.00 C ATOM 252 CD LYS A 17 -12.791 -30.654 19.718 1.00 0.00 C ATOM 253 CE LYS A 17 -13.829 -29.543 19.732 1.00 0.00 C ATOM 254 NZ LYS A 17 -15.120 -29.997 20.320 1.00 0.00 N ATOM 0 H LYS A 17 -12.018 -32.204 16.145 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.531 -34.608 17.608 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.978 -33.224 19.539 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.015 -32.300 18.405 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.022 -31.100 17.631 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.033 -32.068 18.686 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.813 -31.186 20.669 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.795 -30.222 19.617 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.447 -28.697 20.303 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.997 -29.191 18.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.801 -29.211 20.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.497 -30.788 19.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.964 -30.309 21.300 1.00 0.00 H new ATOM 268 N LYS A 18 -14.520 -34.071 16.678 1.00 0.00 N ATOM 269 CA LYS A 18 -15.894 -34.559 16.705 1.00 0.00 C ATOM 270 C LYS A 18 -15.948 -36.053 16.400 1.00 0.00 C ATOM 271 O LYS A 18 -16.462 -36.840 17.196 1.00 0.00 O ATOM 272 CB LYS A 18 -16.749 -33.791 15.694 1.00 0.00 C ATOM 273 CG LYS A 18 -16.549 -32.286 15.747 1.00 0.00 C ATOM 274 CD LYS A 18 -17.406 -31.573 14.715 1.00 0.00 C ATOM 275 CE LYS A 18 -17.308 -30.062 14.858 1.00 0.00 C ATOM 276 NZ LYS A 18 -18.561 -29.382 14.427 1.00 0.00 N ATOM 0 H LYS A 18 -14.294 -33.492 15.869 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.291 -34.396 17.707 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.515 -34.145 14.690 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.800 -34.016 15.875 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.797 -31.920 16.743 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.499 -32.051 15.574 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.091 -31.866 13.714 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.445 -31.884 14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.096 -29.808 15.897 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.472 -29.694 14.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.325 -28.573 13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.156 -30.052 13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.079 -29.045 15.264 1.00 0.00 H new ATOM 290 N CYS A 19 -15.413 -36.436 15.246 1.00 0.00 N ATOM 291 CA CYS A 19 -15.400 -37.836 14.838 1.00 0.00 C ATOM 292 C CYS A 19 -13.970 -38.357 14.731 1.00 0.00 C ATOM 293 O CYS A 19 -13.713 -39.360 14.066 1.00 0.00 O ATOM 294 CB CYS A 19 -16.118 -38.005 13.498 1.00 0.00 C ATOM 295 SG CYS A 19 -15.590 -36.836 12.224 1.00 0.00 S ATOM 0 H CYS A 19 -14.983 -35.797 14.577 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.924 -38.416 15.598 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.953 -39.020 13.135 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.191 -37.893 13.656 1.00 0.00 H new ATOM 300 N ASN A 20 -13.044 -37.669 15.390 1.00 0.00 N ATOM 301 CA ASN A 20 -11.639 -38.061 15.367 1.00 0.00 C ATOM 302 C ASN A 20 -11.170 -38.321 13.939 1.00 0.00 C ATOM 303 O ASN A 20 -10.321 -39.180 13.699 1.00 0.00 O ATOM 304 CB ASN A 20 -11.424 -39.311 16.222 1.00 0.00 C ATOM 305 CG ASN A 20 -9.961 -39.546 16.545 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.317 -40.417 15.959 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.429 -38.768 17.480 1.00 0.00 N ATOM 0 H ASN A 20 -13.241 -36.837 15.947 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.051 -37.241 15.779 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.987 -39.214 17.150 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.821 -40.180 15.697 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.449 -38.879 17.739 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.001 -38.059 17.939 1.00 0.00 H new ATOM 314 N THR A 21 -11.728 -37.572 12.993 1.00 0.00 N ATOM 315 CA THR A 21 -11.368 -37.721 11.589 1.00 0.00 C ATOM 316 C THR A 21 -10.548 -36.532 11.102 1.00 0.00 C ATOM 317 O THR A 21 -10.915 -35.379 11.328 1.00 0.00 O ATOM 318 CB THR A 21 -12.618 -37.865 10.700 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.480 -38.879 11.229 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.230 -38.217 9.272 1.00 0.00 C ATOM 0 H THR A 21 -12.431 -36.856 13.174 1.00 0.00 H new ATOM 0 HA THR A 21 -10.769 -38.629 11.512 1.00 0.00 H new ATOM 0 HB THR A 21 -13.143 -36.910 10.691 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.326 -38.474 11.512 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.129 -38.313 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.597 -37.430 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.685 -39.161 9.265 1.00 0.00 H new ATOM 328 N ARG A 22 -9.436 -36.820 10.433 1.00 0.00 N ATOM 329 CA ARG A 22 -8.563 -35.773 9.915 1.00 0.00 C ATOM 330 C ARG A 22 -8.733 -35.621 8.406 1.00 0.00 C ATOM 331 O ARG A 22 -8.944 -36.602 7.693 1.00 0.00 O ATOM 332 CB ARG A 22 -7.103 -36.087 10.246 1.00 0.00 C ATOM 333 CG ARG A 22 -6.129 -35.020 9.776 1.00 0.00 C ATOM 334 CD ARG A 22 -4.845 -35.040 10.590 1.00 0.00 C ATOM 335 NE ARG A 22 -3.832 -34.144 10.037 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.686 -33.865 10.648 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.408 -34.409 11.825 1.00 0.00 N ATOM 338 NH2 ARG A 22 -1.815 -33.040 10.081 1.00 0.00 N ATOM 0 H ARG A 22 -9.118 -37.769 10.237 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.842 -34.833 10.391 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.002 -36.209 11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.833 -37.040 9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.896 -35.177 8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.596 -34.039 9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.063 -34.750 11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.452 -36.056 10.622 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.015 -33.709 9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.075 -35.044 12.264 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.527 -34.193 12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.025 -32.620 9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.935 -32.826 10.550 1.00 0.00 H new ATOM 352 N SER A 23 -8.640 -34.385 7.927 1.00 0.00 N ATOM 353 CA SER A 23 -8.787 -34.104 6.504 1.00 0.00 C ATOM 354 C SER A 23 -8.106 -32.789 6.137 1.00 0.00 C ATOM 355 O SER A 23 -7.981 -31.889 6.967 1.00 0.00 O ATOM 356 CB SER A 23 -10.268 -34.048 6.124 1.00 0.00 C ATOM 357 OG SER A 23 -10.935 -33.011 6.822 1.00 0.00 O ATOM 0 H SER A 23 -8.464 -33.562 8.503 1.00 0.00 H new ATOM 0 HA SER A 23 -8.307 -34.909 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.365 -33.889 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.741 -35.004 6.349 1.00 0.00 H new ATOM 0 HG SER A 23 -10.401 -32.190 6.777 1.00 0.00 H new ATOM 363 N SER A 24 -7.668 -32.685 4.886 1.00 0.00 N ATOM 364 CA SER A 24 -6.997 -31.482 4.408 1.00 0.00 C ATOM 365 C SER A 24 -7.947 -30.622 3.581 1.00 0.00 C ATOM 366 O SER A 24 -8.807 -31.138 2.867 1.00 0.00 O ATOM 367 CB SER A 24 -5.770 -31.855 3.573 1.00 0.00 C ATOM 368 OG SER A 24 -5.920 -33.139 2.992 1.00 0.00 O ATOM 0 H SER A 24 -7.766 -33.420 4.185 1.00 0.00 H new ATOM 0 HA SER A 24 -6.676 -30.906 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.620 -31.113 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.880 -31.838 4.202 1.00 0.00 H new ATOM 0 HG SER A 24 -5.124 -33.353 2.462 1.00 0.00 H new ATOM 374 N HIS A 25 -7.785 -29.307 3.683 1.00 0.00 N ATOM 375 CA HIS A 25 -8.627 -28.373 2.944 1.00 0.00 C ATOM 376 C HIS A 25 -7.806 -27.199 2.418 1.00 0.00 C ATOM 377 O HIS A 25 -7.155 -26.490 3.185 1.00 0.00 O ATOM 378 CB HIS A 25 -9.759 -27.859 3.834 1.00 0.00 C ATOM 379 CG HIS A 25 -10.258 -28.876 4.815 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.385 -29.640 4.599 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.775 -29.254 6.022 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.575 -30.443 5.631 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.611 -30.228 6.508 1.00 0.00 N ATOM 0 H HIS A 25 -7.078 -28.864 4.270 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.055 -28.904 2.094 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.412 -26.981 4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.588 -27.537 3.204 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.980 -29.593 3.772 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.896 -28.862 6.511 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.381 -31.154 5.739 1.00 0.00 H new ATOM 391 N THR A 26 -7.840 -27.001 1.103 1.00 0.00 N ATOM 392 CA THR A 26 -7.098 -25.916 0.475 1.00 0.00 C ATOM 393 C THR A 26 -7.957 -24.663 0.350 1.00 0.00 C ATOM 394 O THR A 26 -9.103 -24.726 -0.093 1.00 0.00 O ATOM 395 CB THR A 26 -6.591 -26.318 -0.923 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.283 -27.716 -0.949 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.357 -25.514 -1.303 1.00 0.00 C ATOM 0 H THR A 26 -8.374 -27.578 0.453 1.00 0.00 H new ATOM 0 HA THR A 26 -6.243 -25.705 1.117 1.00 0.00 H new ATOM 0 HB THR A 26 -7.379 -26.107 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.963 -27.964 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.017 -25.815 -2.294 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.603 -24.452 -1.311 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.565 -25.698 -0.577 1.00 0.00 H new ATOM 405 N MET A 27 -7.395 -23.524 0.743 1.00 0.00 N ATOM 406 CA MET A 27 -8.110 -22.255 0.673 1.00 0.00 C ATOM 407 C MET A 27 -7.145 -21.101 0.418 1.00 0.00 C ATOM 408 O MET A 27 -5.957 -21.194 0.724 1.00 0.00 O ATOM 409 CB MET A 27 -8.886 -22.010 1.968 1.00 0.00 C ATOM 410 CG MET A 27 -7.993 -21.795 3.180 1.00 0.00 C ATOM 411 SD MET A 27 -7.491 -23.342 3.957 1.00 0.00 S ATOM 412 CE MET A 27 -9.053 -23.909 4.623 1.00 0.00 C ATOM 0 H MET A 27 -6.447 -23.454 1.113 1.00 0.00 H new ATOM 0 HA MET A 27 -8.813 -22.308 -0.158 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.526 -21.137 1.839 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.541 -22.861 2.156 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.105 -21.240 2.878 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.520 -21.181 3.910 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.881 -24.421 5.570 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.710 -23.055 4.786 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.520 -24.597 3.919 1.00 0.00 H new ATOM 422 N SER A 28 -7.665 -20.015 -0.144 1.00 0.00 N ATOM 423 CA SER A 28 -6.848 -18.844 -0.444 1.00 0.00 C ATOM 424 C SER A 28 -6.145 -18.337 0.811 1.00 0.00 C ATOM 425 O SER A 28 -6.782 -18.077 1.833 1.00 0.00 O ATOM 426 CB SER A 28 -7.713 -17.733 -1.042 1.00 0.00 C ATOM 427 OG SER A 28 -6.917 -16.778 -1.722 1.00 0.00 O ATOM 0 H SER A 28 -8.648 -19.921 -0.401 1.00 0.00 H new ATOM 0 HA SER A 28 -6.090 -19.136 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.438 -18.164 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.279 -17.242 -0.250 1.00 0.00 H new ATOM 0 HG SER A 28 -6.012 -17.134 -1.844 1.00 0.00 H new ATOM 433 N LYS A 29 -4.827 -18.197 0.728 1.00 0.00 N ATOM 434 CA LYS A 29 -4.034 -17.720 1.855 1.00 0.00 C ATOM 435 C LYS A 29 -4.493 -16.333 2.294 1.00 0.00 C ATOM 436 O LYS A 29 -4.463 -16.007 3.480 1.00 0.00 O ATOM 437 CB LYS A 29 -2.550 -17.683 1.482 1.00 0.00 C ATOM 438 CG LYS A 29 -1.622 -17.969 2.650 1.00 0.00 C ATOM 439 CD LYS A 29 -1.119 -16.686 3.290 1.00 0.00 C ATOM 440 CE LYS A 29 -0.073 -16.004 2.421 1.00 0.00 C ATOM 441 NZ LYS A 29 0.173 -14.599 2.849 1.00 0.00 N ATOM 0 H LYS A 29 -4.284 -18.407 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.176 -18.411 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.364 -18.413 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.312 -16.702 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.147 -18.567 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.774 -18.562 2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.956 -16.007 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.692 -16.909 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.860 -16.566 2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.401 -16.015 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.197 -14.417 2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.280 -13.947 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.226 -14.450 3.798 1.00 0.00 H new ATOM 455 N GLN A 30 -4.919 -15.523 1.331 1.00 0.00 N ATOM 456 CA GLN A 30 -5.385 -14.172 1.620 1.00 0.00 C ATOM 457 C GLN A 30 -6.710 -14.203 2.375 1.00 0.00 C ATOM 458 O GLN A 30 -6.933 -13.410 3.289 1.00 0.00 O ATOM 459 CB GLN A 30 -5.542 -13.375 0.323 1.00 0.00 C ATOM 460 CG GLN A 30 -5.234 -11.895 0.478 1.00 0.00 C ATOM 461 CD GLN A 30 -6.479 -11.031 0.430 1.00 0.00 C ATOM 462 OE1 GLN A 30 -7.150 -10.946 -0.599 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.794 -10.385 1.547 1.00 0.00 N ATOM 0 H GLN A 30 -4.951 -15.778 0.344 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.640 -13.685 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.883 -13.797 -0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.563 -13.489 -0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.720 -11.732 1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.551 -11.585 -0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.209 -10.485 2.376 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.621 -9.789 1.575 1.00 0.00 H new ATOM 472 N ALA A 31 -7.586 -15.124 1.986 1.00 0.00 N ATOM 473 CA ALA A 31 -8.888 -15.259 2.627 1.00 0.00 C ATOM 474 C ALA A 31 -8.753 -15.866 4.020 1.00 0.00 C ATOM 475 O ALA A 31 -9.515 -15.533 4.928 1.00 0.00 O ATOM 476 CB ALA A 31 -9.814 -16.107 1.767 1.00 0.00 C ATOM 0 H ALA A 31 -7.417 -15.788 1.230 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.319 -14.263 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.783 -16.200 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.944 -15.632 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.380 -17.098 1.632 1.00 0.00 H new ATOM 482 N TYR A 32 -7.781 -16.757 4.180 1.00 0.00 N ATOM 483 CA TYR A 32 -7.550 -17.412 5.462 1.00 0.00 C ATOM 484 C TYR A 32 -6.815 -16.484 6.424 1.00 0.00 C ATOM 485 O TYR A 32 -7.209 -16.331 7.579 1.00 0.00 O ATOM 486 CB TYR A 32 -6.746 -18.698 5.263 1.00 0.00 C ATOM 487 CG TYR A 32 -6.291 -19.335 6.557 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.083 -18.977 7.142 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.069 -20.294 7.193 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.663 -19.557 8.324 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.658 -20.877 8.376 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.454 -20.505 8.938 1.00 0.00 C ATOM 493 OH TYR A 32 -5.041 -21.085 10.115 1.00 0.00 O ATOM 0 H TYR A 32 -7.141 -17.042 3.439 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.519 -17.660 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.353 -19.414 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.872 -18.479 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.462 -18.233 6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.011 -20.589 6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.720 -19.269 8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.276 -21.620 8.858 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.714 -21.731 10.415 1.00 0.00 H new ATOM 503 N GLU A 33 -5.743 -15.865 5.936 1.00 0.00 N ATOM 504 CA GLU A 33 -4.953 -14.951 6.752 1.00 0.00 C ATOM 505 C GLU A 33 -5.713 -13.653 7.007 1.00 0.00 C ATOM 506 O GLU A 33 -5.635 -13.077 8.093 1.00 0.00 O ATOM 507 CB GLU A 33 -3.618 -14.647 6.069 1.00 0.00 C ATOM 508 CG GLU A 33 -2.613 -15.784 6.163 1.00 0.00 C ATOM 509 CD GLU A 33 -1.178 -15.295 6.165 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.937 -14.162 5.697 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.296 -16.044 6.635 1.00 0.00 O ATOM 0 H GLU A 33 -5.403 -15.980 4.981 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.762 -15.434 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.800 -14.420 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.185 -13.753 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.800 -16.355 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.760 -16.464 5.324 1.00 0.00 H new ATOM 518 N LYS A 34 -6.448 -13.197 5.999 1.00 0.00 N ATOM 519 CA LYS A 34 -7.224 -11.967 6.112 1.00 0.00 C ATOM 520 C LYS A 34 -8.641 -12.168 5.585 1.00 0.00 C ATOM 521 O LYS A 34 -8.991 -11.677 4.513 1.00 0.00 O ATOM 522 CB LYS A 34 -6.539 -10.835 5.343 1.00 0.00 C ATOM 523 CG LYS A 34 -5.067 -10.675 5.681 1.00 0.00 C ATOM 524 CD LYS A 34 -4.870 -10.226 7.119 1.00 0.00 C ATOM 525 CE LYS A 34 -3.529 -10.686 7.668 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.256 -10.115 9.017 1.00 0.00 N ATOM 0 H LYS A 34 -6.523 -13.661 5.094 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.282 -11.699 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.640 -11.020 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.056 -9.899 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.551 -11.622 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.615 -9.948 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.933 -9.139 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.674 -10.624 7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.514 -11.774 7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.735 -10.391 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.333 -10.452 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.245 -9.077 8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.999 -10.417 9.679 1.00 0.00 H new ATOM 540 N GLY A 35 -9.454 -12.893 6.348 1.00 0.00 N ATOM 541 CA GLY A 35 -10.825 -13.145 5.942 1.00 0.00 C ATOM 542 C GLY A 35 -11.421 -14.355 6.633 1.00 0.00 C ATOM 543 O GLY A 35 -10.771 -14.989 7.465 1.00 0.00 O ATOM 0 H GLY A 35 -9.188 -13.310 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.433 -12.268 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.860 -13.293 4.863 1.00 0.00 H new ATOM 547 N THR A 36 -12.664 -14.678 6.289 1.00 0.00 N ATOM 548 CA THR A 36 -13.349 -15.819 6.883 1.00 0.00 C ATOM 549 C THR A 36 -13.246 -17.049 5.989 1.00 0.00 C ATOM 550 O THR A 36 -13.590 -17.002 4.808 1.00 0.00 O ATOM 551 CB THR A 36 -14.836 -15.509 7.141 1.00 0.00 C ATOM 552 OG1 THR A 36 -14.974 -14.196 7.696 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.446 -16.532 8.087 1.00 0.00 C ATOM 0 H THR A 36 -13.217 -14.165 5.602 1.00 0.00 H new ATOM 0 HA THR A 36 -12.857 -16.023 7.834 1.00 0.00 H new ATOM 0 HB THR A 36 -15.365 -15.558 6.189 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.539 -14.237 8.496 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.496 -16.292 8.254 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.366 -17.527 7.648 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.913 -16.511 9.038 1.00 0.00 H new ATOM 561 N VAL A 37 -12.770 -18.152 6.560 1.00 0.00 N ATOM 562 CA VAL A 37 -12.623 -19.396 5.815 1.00 0.00 C ATOM 563 C VAL A 37 -13.390 -20.531 6.484 1.00 0.00 C ATOM 564 O VAL A 37 -13.299 -20.727 7.697 1.00 0.00 O ATOM 565 CB VAL A 37 -11.142 -19.800 5.683 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.438 -18.920 4.662 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.448 -19.724 7.034 1.00 0.00 C ATOM 0 H VAL A 37 -12.480 -18.208 7.536 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.034 -19.220 4.821 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.094 -20.831 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.393 -19.220 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.922 -19.030 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.493 -17.879 4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.403 -20.013 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.504 -18.704 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.939 -20.401 7.734 1.00 0.00 H new ATOM 577 N LEU A 38 -14.146 -21.277 5.686 1.00 0.00 N ATOM 578 CA LEU A 38 -14.930 -22.395 6.200 1.00 0.00 C ATOM 579 C LEU A 38 -14.533 -23.699 5.517 1.00 0.00 C ATOM 580 O LEU A 38 -14.306 -23.732 4.307 1.00 0.00 O ATOM 581 CB LEU A 38 -16.424 -22.133 5.996 1.00 0.00 C ATOM 582 CG LEU A 38 -17.093 -21.223 7.027 1.00 0.00 C ATOM 583 CD1 LEU A 38 -16.946 -21.802 8.425 1.00 0.00 C ATOM 584 CD2 LEU A 38 -16.503 -19.821 6.964 1.00 0.00 C ATOM 0 H LEU A 38 -14.233 -21.128 4.681 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.726 -22.489 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.564 -21.694 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.944 -23.091 5.995 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.155 -21.160 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.428 -21.141 9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.416 -22.785 8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.888 -21.896 8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.991 -19.187 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.434 -19.866 7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.661 -19.404 5.969 1.00 0.00 H new ATOM 596 N ILE A 39 -14.454 -24.771 6.298 1.00 0.00 N ATOM 597 CA ILE A 39 -14.088 -26.078 5.767 1.00 0.00 C ATOM 598 C ILE A 39 -15.023 -27.164 6.287 1.00 0.00 C ATOM 599 O ILE A 39 -15.427 -27.146 7.450 1.00 0.00 O ATOM 600 CB ILE A 39 -12.638 -26.447 6.131 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.383 -26.199 7.619 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.659 -25.651 5.281 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.373 -27.148 8.226 1.00 0.00 C ATOM 0 H ILE A 39 -14.639 -24.760 7.301 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.177 -26.014 4.682 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.487 -27.507 5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.034 -25.175 7.754 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.325 -26.289 8.161 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.638 -25.923 5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.828 -25.873 4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.808 -24.585 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.242 -26.913 9.282 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.729 -28.173 8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.419 -27.042 7.710 1.00 0.00 H new ATOM 615 N SER A 40 -15.362 -28.111 5.418 1.00 0.00 N ATOM 616 CA SER A 40 -16.252 -29.205 5.788 1.00 0.00 C ATOM 617 C SER A 40 -15.466 -30.496 5.998 1.00 0.00 C ATOM 618 O SER A 40 -14.581 -30.832 5.210 1.00 0.00 O ATOM 619 CB SER A 40 -17.317 -29.412 4.710 1.00 0.00 C ATOM 620 OG SER A 40 -18.309 -30.327 5.142 1.00 0.00 O ATOM 0 H SER A 40 -15.034 -28.143 4.453 1.00 0.00 H new ATOM 0 HA SER A 40 -16.742 -28.941 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.781 -28.457 4.465 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.849 -29.782 3.798 1.00 0.00 H new ATOM 0 HG SER A 40 -18.396 -30.279 6.117 1.00 0.00 H new ATOM 626 N CYS A 41 -15.797 -31.216 7.065 1.00 0.00 N ATOM 627 CA CYS A 41 -15.123 -32.470 7.380 1.00 0.00 C ATOM 628 C CYS A 41 -15.777 -33.638 6.649 1.00 0.00 C ATOM 629 O CYS A 41 -16.964 -33.921 6.818 1.00 0.00 O ATOM 630 CB CYS A 41 -15.145 -32.720 8.889 1.00 0.00 C ATOM 631 SG CYS A 41 -14.529 -34.348 9.376 1.00 0.00 S ATOM 0 H CYS A 41 -16.528 -30.952 7.726 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.088 -32.391 7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.546 -31.954 9.382 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.167 -32.607 9.250 1.00 0.00 H new ATOM 636 N PRO A 42 -14.988 -34.332 5.816 1.00 0.00 N ATOM 637 CA PRO A 42 -15.470 -35.480 5.041 1.00 0.00 C ATOM 638 C PRO A 42 -15.769 -36.688 5.921 1.00 0.00 C ATOM 639 O PRO A 42 -15.086 -37.710 5.844 1.00 0.00 O ATOM 640 CB PRO A 42 -14.305 -35.783 4.095 1.00 0.00 C ATOM 641 CG PRO A 42 -13.101 -35.255 4.795 1.00 0.00 C ATOM 642 CD PRO A 42 -13.564 -34.050 5.566 1.00 0.00 C ATOM 0 HA PRO A 42 -16.407 -35.262 4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.216 -36.853 3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.444 -35.300 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.677 -36.006 5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.322 -34.986 4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.009 -33.930 6.496 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.430 -33.131 4.995 1.00 0.00 H new ATOM 650 N HIS A 43 -16.796 -36.566 6.758 1.00 0.00 N ATOM 651 CA HIS A 43 -17.187 -37.650 7.652 1.00 0.00 C ATOM 652 C HIS A 43 -18.462 -37.295 8.410 1.00 0.00 C ATOM 653 O HIS A 43 -19.514 -37.898 8.189 1.00 0.00 O ATOM 654 CB HIS A 43 -16.061 -37.955 8.640 1.00 0.00 C ATOM 655 CG HIS A 43 -16.127 -39.336 9.216 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.682 -40.454 8.543 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.587 -39.776 10.410 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.868 -41.522 9.297 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.416 -41.138 10.436 1.00 0.00 N ATOM 0 H HIS A 43 -17.372 -35.727 6.835 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.379 -38.536 7.047 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -15.103 -37.825 8.137 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -16.095 -37.229 9.453 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.010 -39.169 11.196 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.615 -42.537 9.028 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.671 -41.753 11.209 1.00 0.00 H new ATOM 667 N CYS A 44 -18.362 -36.317 9.302 1.00 0.00 N ATOM 668 CA CYS A 44 -19.508 -35.884 10.094 1.00 0.00 C ATOM 669 C CYS A 44 -20.399 -34.942 9.291 1.00 0.00 C ATOM 670 O CYS A 44 -21.459 -34.523 9.757 1.00 0.00 O ATOM 671 CB CYS A 44 -19.038 -35.193 11.375 1.00 0.00 C ATOM 672 SG CYS A 44 -17.933 -33.789 11.093 1.00 0.00 S ATOM 0 H CYS A 44 -17.499 -35.808 9.495 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.089 -36.767 10.359 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.910 -34.849 11.931 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.527 -35.923 12.003 1.00 0.00 H new ATOM 677 N LYS A 45 -19.961 -34.610 8.081 1.00 0.00 N ATOM 678 CA LYS A 45 -20.717 -33.716 7.212 1.00 0.00 C ATOM 679 C LYS A 45 -21.104 -32.438 7.949 1.00 0.00 C ATOM 680 O LYS A 45 -22.211 -32.324 8.476 1.00 0.00 O ATOM 681 CB LYS A 45 -21.974 -34.419 6.693 1.00 0.00 C ATOM 682 CG LYS A 45 -22.557 -33.780 5.445 1.00 0.00 C ATOM 683 CD LYS A 45 -24.007 -34.185 5.236 1.00 0.00 C ATOM 684 CE LYS A 45 -24.136 -35.677 4.973 1.00 0.00 C ATOM 685 NZ LYS A 45 -25.488 -36.035 4.462 1.00 0.00 N ATOM 0 H LYS A 45 -19.086 -34.947 7.680 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.082 -33.448 6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -21.735 -35.461 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.730 -34.419 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.489 -32.695 5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.968 -34.073 4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.591 -33.918 6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.424 -33.629 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.381 -35.985 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.938 -36.226 5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -25.536 -37.060 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.207 -35.764 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.667 -35.530 3.570 1.00 0.00 H new ATOM 699 N VAL A 46 -20.185 -31.478 7.981 1.00 0.00 N ATOM 700 CA VAL A 46 -20.431 -30.207 8.652 1.00 0.00 C ATOM 701 C VAL A 46 -19.261 -29.249 8.459 1.00 0.00 C ATOM 702 O VAL A 46 -18.104 -29.667 8.412 1.00 0.00 O ATOM 703 CB VAL A 46 -20.675 -30.405 10.159 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.374 -30.739 10.872 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.320 -29.166 10.762 1.00 0.00 C ATOM 0 H VAL A 46 -19.264 -31.556 7.550 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.326 -29.779 8.201 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.359 -31.243 10.291 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.567 -30.875 11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.958 -31.657 10.458 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.664 -29.924 10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.485 -29.324 11.828 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.663 -28.308 10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.275 -28.977 10.271 1.00 0.00 H new ATOM 715 N ARG A 47 -19.569 -27.961 8.351 1.00 0.00 N ATOM 716 CA ARG A 47 -18.543 -26.942 8.163 1.00 0.00 C ATOM 717 C ARG A 47 -18.108 -26.355 9.503 1.00 0.00 C ATOM 718 O ARG A 47 -18.909 -26.240 10.431 1.00 0.00 O ATOM 719 CB ARG A 47 -19.060 -25.829 7.250 1.00 0.00 C ATOM 720 CG ARG A 47 -19.167 -26.239 5.790 1.00 0.00 C ATOM 721 CD ARG A 47 -20.395 -27.102 5.543 1.00 0.00 C ATOM 722 NE ARG A 47 -21.121 -26.691 4.345 1.00 0.00 N ATOM 723 CZ ARG A 47 -22.039 -27.443 3.747 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.341 -28.638 4.234 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.656 -26.999 2.660 1.00 0.00 N ATOM 0 H ARG A 47 -20.521 -27.598 8.390 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.679 -27.414 7.695 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.041 -25.509 7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.396 -24.968 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.215 -25.348 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.271 -26.787 5.498 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.091 -28.144 5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -21.058 -27.044 6.406 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.912 -25.776 3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.868 -28.982 5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.046 -29.213 3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.426 -26.080 2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.361 -27.577 2.202 1.00 0.00 H new ATOM 739 N HIS A 48 -16.835 -25.986 9.596 1.00 0.00 N ATOM 740 CA HIS A 48 -16.293 -25.411 10.822 1.00 0.00 C ATOM 741 C HIS A 48 -15.433 -24.189 10.515 1.00 0.00 C ATOM 742 O HIS A 48 -14.818 -24.100 9.451 1.00 0.00 O ATOM 743 CB HIS A 48 -15.468 -26.453 11.578 1.00 0.00 C ATOM 744 CG HIS A 48 -15.393 -27.777 10.883 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.287 -28.800 11.113 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.522 -28.241 9.956 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.970 -29.838 10.360 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.902 -29.524 9.647 1.00 0.00 N ATOM 0 H HIS A 48 -16.159 -26.075 8.837 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.129 -25.097 11.447 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.458 -26.070 11.722 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.899 -26.596 12.569 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.072 -28.762 11.764 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.685 -27.703 9.538 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.494 -30.782 10.332 1.00 0.00 H new ATOM 756 N LEU A 49 -15.394 -23.248 11.452 1.00 0.00 N ATOM 757 CA LEU A 49 -14.610 -22.030 11.282 1.00 0.00 C ATOM 758 C LEU A 49 -13.154 -22.261 11.674 1.00 0.00 C ATOM 759 O LEU A 49 -12.868 -22.860 12.711 1.00 0.00 O ATOM 760 CB LEU A 49 -15.202 -20.897 12.121 1.00 0.00 C ATOM 761 CG LEU A 49 -14.309 -19.672 12.322 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.170 -18.894 11.023 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.864 -18.781 13.423 1.00 0.00 C ATOM 0 H LEU A 49 -15.897 -23.305 12.338 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.644 -21.750 10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.130 -20.572 11.652 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.463 -21.296 13.101 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.319 -20.014 12.624 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.531 -18.026 11.185 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.725 -19.534 10.261 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.154 -18.563 10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.215 -17.915 13.552 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.865 -18.447 13.151 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.910 -19.342 14.357 1.00 0.00 H new ATOM 775 N ILE A 50 -12.238 -21.779 10.840 1.00 0.00 N ATOM 776 CA ILE A 50 -10.812 -21.930 11.102 1.00 0.00 C ATOM 777 C ILE A 50 -10.159 -20.581 11.380 1.00 0.00 C ATOM 778 O ILE A 50 -9.463 -20.412 12.382 1.00 0.00 O ATOM 779 CB ILE A 50 -10.091 -22.602 9.919 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.017 -22.674 8.702 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.614 -23.993 10.310 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.346 -23.227 7.464 1.00 0.00 C ATOM 0 H ILE A 50 -12.458 -21.281 9.978 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.718 -22.565 11.983 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.221 -22.001 9.655 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.878 -23.296 8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.396 -21.676 8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.106 -24.455 9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.924 -23.918 11.150 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.470 -24.604 10.597 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.061 -23.249 6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.502 -22.593 7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.991 -24.238 7.663 1.00 0.00 H new ATOM 794 N ALA A 51 -10.389 -19.622 10.489 1.00 0.00 N ATOM 795 CA ALA A 51 -9.826 -18.287 10.641 1.00 0.00 C ATOM 796 C ALA A 51 -10.886 -17.215 10.412 1.00 0.00 C ATOM 797 O ALA A 51 -11.240 -16.912 9.273 1.00 0.00 O ATOM 798 CB ALA A 51 -8.661 -18.093 9.681 1.00 0.00 C ATOM 0 H ALA A 51 -10.962 -19.746 9.654 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.461 -18.188 11.663 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.250 -17.091 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.888 -18.831 9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.010 -18.217 8.656 1.00 0.00 H new ATOM 804 N ASP A 52 -11.389 -16.645 11.502 1.00 0.00 N ATOM 805 CA ASP A 52 -12.409 -15.606 11.420 1.00 0.00 C ATOM 806 C ASP A 52 -11.774 -14.219 11.424 1.00 0.00 C ATOM 807 O ASP A 52 -11.070 -13.850 12.365 1.00 0.00 O ATOM 808 CB ASP A 52 -13.392 -15.734 12.584 1.00 0.00 C ATOM 809 CG ASP A 52 -12.693 -15.974 13.908 1.00 0.00 C ATOM 810 OD1 ASP A 52 -12.156 -17.085 14.103 1.00 0.00 O ATOM 811 OD2 ASP A 52 -12.683 -15.052 14.749 1.00 0.00 O ATOM 0 H ASP A 52 -11.107 -16.885 12.452 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.950 -15.735 10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.991 -14.826 12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.081 -16.555 12.386 1.00 0.00 H new ATOM 816 N HIS A 53 -12.026 -13.455 10.366 1.00 0.00 N ATOM 817 CA HIS A 53 -11.478 -12.108 10.248 1.00 0.00 C ATOM 818 C HIS A 53 -12.584 -11.095 9.968 1.00 0.00 C ATOM 819 O HIS A 53 -12.549 -9.969 10.467 1.00 0.00 O ATOM 820 CB HIS A 53 -10.430 -12.057 9.136 1.00 0.00 C ATOM 821 CG HIS A 53 -9.027 -11.914 9.641 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.433 -10.692 9.874 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.101 -12.848 9.960 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.201 -10.881 10.313 1.00 0.00 C ATOM 825 NE2 HIS A 53 -6.975 -12.181 10.375 1.00 0.00 N ATOM 0 H HIS A 53 -12.606 -13.745 9.578 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.004 -11.850 11.195 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.501 -12.966 8.539 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.656 -11.222 8.473 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.225 -13.919 9.899 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.498 -10.104 10.576 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.106 -12.618 10.681 1.00 0.00 H new ATOM 833 N LEU A 54 -13.563 -11.500 9.167 1.00 0.00 N ATOM 834 CA LEU A 54 -14.679 -10.627 8.819 1.00 0.00 C ATOM 835 C LEU A 54 -15.748 -10.652 9.907 1.00 0.00 C ATOM 836 O LEU A 54 -16.706 -9.879 9.869 1.00 0.00 O ATOM 837 CB LEU A 54 -15.286 -11.051 7.481 1.00 0.00 C ATOM 838 CG LEU A 54 -14.291 -11.415 6.378 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.025 -11.878 5.129 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.390 -10.230 6.061 1.00 0.00 C ATOM 0 H LEU A 54 -13.607 -12.428 8.746 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.299 -9.609 8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.935 -11.909 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.919 -10.241 7.119 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.667 -12.235 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.301 -12.133 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.627 -12.755 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.673 -11.078 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.688 -10.507 5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.998 -9.390 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.837 -9.944 6.956 1.00 0.00 H new ATOM 852 N LYS A 55 -15.578 -11.544 10.877 1.00 0.00 N ATOM 853 CA LYS A 55 -16.526 -11.668 11.977 1.00 0.00 C ATOM 854 C LYS A 55 -17.953 -11.797 11.455 1.00 0.00 C ATOM 855 O LYS A 55 -18.844 -11.054 11.866 1.00 0.00 O ATOM 856 CB LYS A 55 -16.420 -10.458 12.908 1.00 0.00 C ATOM 857 CG LYS A 55 -15.153 -10.445 13.746 1.00 0.00 C ATOM 858 CD LYS A 55 -15.322 -9.599 14.998 1.00 0.00 C ATOM 859 CE LYS A 55 -15.126 -8.120 14.702 1.00 0.00 C ATOM 860 NZ LYS A 55 -15.180 -7.295 15.940 1.00 0.00 N ATOM 0 H LYS A 55 -14.792 -12.192 10.923 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.279 -12.571 12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.461 -9.547 12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.285 -10.444 13.571 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.891 -11.465 14.027 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.326 -10.056 13.152 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.316 -9.759 15.415 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.604 -9.918 15.754 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.165 -7.973 14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.896 -7.783 14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.042 -6.293 15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.106 -7.416 16.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.429 -7.599 16.593 1.00 0.00 H new ATOM 874 N ILE A 56 -18.162 -12.746 10.548 1.00 0.00 N ATOM 875 CA ILE A 56 -19.482 -12.973 9.972 1.00 0.00 C ATOM 876 C ILE A 56 -20.393 -13.702 10.954 1.00 0.00 C ATOM 877 O ILE A 56 -21.524 -13.281 11.198 1.00 0.00 O ATOM 878 CB ILE A 56 -19.394 -13.789 8.669 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.358 -13.174 7.725 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.757 -13.859 7.995 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.124 -13.989 6.472 1.00 0.00 C ATOM 0 H ILE A 56 -17.435 -13.369 10.197 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.902 -11.992 9.750 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.078 -14.803 8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.685 -12.173 7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.414 -13.062 8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.679 -14.439 7.075 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.471 -14.337 8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.099 -12.851 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.378 -13.494 5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.767 -14.982 6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.058 -14.079 5.917 1.00 0.00 H new ATOM 893 N PHE A 57 -19.891 -14.796 11.518 1.00 0.00 N ATOM 894 CA PHE A 57 -20.659 -15.583 12.475 1.00 0.00 C ATOM 895 C PHE A 57 -20.626 -14.940 13.859 1.00 0.00 C ATOM 896 O PHE A 57 -21.449 -15.251 14.720 1.00 0.00 O ATOM 897 CB PHE A 57 -20.111 -17.010 12.550 1.00 0.00 C ATOM 898 CG PHE A 57 -19.981 -17.673 11.209 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.101 -18.146 10.544 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.739 -17.824 10.613 1.00 0.00 C ATOM 901 CE1 PHE A 57 -20.985 -18.756 9.309 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.617 -18.434 9.379 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.741 -18.901 8.726 1.00 0.00 C ATOM 0 H PHE A 57 -18.956 -15.157 11.329 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.694 -15.616 12.134 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.134 -16.991 13.033 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.767 -17.610 13.181 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.076 -18.037 10.996 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.856 -17.461 11.119 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.866 -19.119 8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.643 -18.546 8.925 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.648 -19.378 7.762 1.00 0.00 H new ATOM 913 N HIS A 58 -19.667 -14.042 14.065 1.00 0.00 N ATOM 914 CA HIS A 58 -19.526 -13.355 15.344 1.00 0.00 C ATOM 915 C HIS A 58 -20.779 -12.548 15.668 1.00 0.00 C ATOM 916 O HIS A 58 -21.010 -12.178 16.819 1.00 0.00 O ATOM 917 CB HIS A 58 -18.304 -12.436 15.320 1.00 0.00 C ATOM 918 CG HIS A 58 -17.716 -12.186 16.674 1.00 0.00 C ATOM 919 ND1 HIS A 58 -17.698 -10.942 17.269 1.00 0.00 N ATOM 920 CD2 HIS A 58 -17.124 -13.030 17.552 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.118 -11.032 18.453 1.00 0.00 C ATOM 922 NE2 HIS A 58 -16.762 -12.288 18.649 1.00 0.00 N ATOM 0 H HIS A 58 -18.977 -13.774 13.363 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.390 -14.108 16.121 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.541 -12.876 14.677 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.586 -11.482 14.874 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -16.966 -14.090 17.415 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.962 -10.216 19.143 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -16.294 -12.649 19.480 1.00 0.00 H new ATOM 930 N ASP A 59 -21.584 -12.277 14.646 1.00 0.00 N ATOM 931 CA ASP A 59 -22.814 -11.514 14.822 1.00 0.00 C ATOM 932 C ASP A 59 -23.966 -12.427 15.228 1.00 0.00 C ATOM 933 O ASP A 59 -25.116 -11.993 15.311 1.00 0.00 O ATOM 934 CB ASP A 59 -23.166 -10.769 13.534 1.00 0.00 C ATOM 935 CG ASP A 59 -22.668 -9.337 13.539 1.00 0.00 C ATOM 936 OD1 ASP A 59 -23.226 -8.516 14.297 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.718 -9.037 12.785 1.00 0.00 O ATOM 0 H ASP A 59 -21.406 -12.575 13.687 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.652 -10.788 15.619 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -22.736 -11.297 12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.248 -10.774 13.399 1.00 0.00 H new ATOM 942 N HIS A 60 -23.651 -13.693 15.479 1.00 0.00 N ATOM 943 CA HIS A 60 -24.661 -14.668 15.876 1.00 0.00 C ATOM 944 C HIS A 60 -26.010 -14.342 15.242 1.00 0.00 C ATOM 945 O HIS A 60 -27.044 -14.366 15.910 1.00 0.00 O ATOM 946 CB HIS A 60 -24.796 -14.704 17.399 1.00 0.00 C ATOM 947 CG HIS A 60 -25.561 -13.545 17.959 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.265 -12.225 17.999 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -26.789 -13.680 18.573 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -26.310 -11.592 18.627 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -27.216 -12.492 18.964 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.705 -14.068 15.415 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.341 -15.649 15.524 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.291 -15.630 17.690 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.801 -14.721 17.844 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -27.319 -14.611 18.712 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.379 -10.531 18.815 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -28.096 -12.302 19.444 1.00 0.00 H new ATOM 959 N HIS A 61 -25.992 -14.036 13.948 1.00 0.00 N ATOM 960 CA HIS A 61 -27.213 -13.705 13.224 1.00 0.00 C ATOM 961 C HIS A 61 -27.102 -14.109 11.757 1.00 0.00 C ATOM 962 O HIS A 61 -27.861 -13.635 10.912 1.00 0.00 O ATOM 963 CB HIS A 61 -27.505 -12.207 13.331 1.00 0.00 C ATOM 964 CG HIS A 61 -28.386 -11.850 14.488 1.00 0.00 C ATOM 965 ND1 HIS A 61 -28.097 -11.667 15.797 1.00 0.00 N flip ATOM 966 CD2 HIS A 61 -29.743 -11.641 14.364 1.00 0.00 C flip ATOM 967 CE1 HIS A 61 -29.273 -11.352 16.434 1.00 0.00 C flip ATOM 968 NE2 HIS A 61 -30.251 -11.343 15.546 1.00 0.00 N flip ATOM 0 H HIS A 61 -25.145 -14.011 13.380 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.035 -14.261 13.675 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.563 -11.667 13.422 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.977 -11.870 12.408 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -30.303 -11.710 13.443 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.380 -11.145 17.489 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -31.232 -11.140 15.740 1.00 0.00 H new ATOM 976 N VAL A 62 -26.150 -14.989 11.461 1.00 0.00 N ATOM 977 CA VAL A 62 -25.939 -15.458 10.097 1.00 0.00 C ATOM 978 C VAL A 62 -25.712 -16.965 10.063 1.00 0.00 C ATOM 979 O VAL A 62 -24.964 -17.511 10.875 1.00 0.00 O ATOM 980 CB VAL A 62 -24.737 -14.753 9.441 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.440 -15.169 10.118 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.691 -15.056 7.950 1.00 0.00 C ATOM 0 H VAL A 62 -25.513 -15.391 12.148 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.842 -15.217 9.536 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.856 -13.677 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.602 -14.661 9.641 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.477 -14.897 11.173 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.311 -16.247 10.026 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.836 -14.550 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.596 -16.131 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.609 -14.704 7.479 1.00 0.00 H new ATOM 992 N THR A 63 -26.363 -17.635 9.116 1.00 0.00 N ATOM 993 CA THR A 63 -26.232 -19.079 8.975 1.00 0.00 C ATOM 994 C THR A 63 -25.281 -19.438 7.840 1.00 0.00 C ATOM 995 O THR A 63 -24.996 -18.613 6.971 1.00 0.00 O ATOM 996 CB THR A 63 -27.598 -19.744 8.715 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.473 -21.168 8.796 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.137 -19.354 7.347 1.00 0.00 C ATOM 0 H THR A 63 -26.986 -17.200 8.436 1.00 0.00 H new ATOM 0 HA THR A 63 -25.827 -19.452 9.915 1.00 0.00 H new ATOM 0 HB THR A 63 -28.297 -19.398 9.476 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.345 -21.583 8.631 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.102 -19.835 7.185 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.258 -18.272 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.438 -19.675 6.575 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.791 -20.674 7.852 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.872 -21.142 6.822 1.00 0.00 C ATOM 1008 C VAL A 64 -24.471 -20.967 5.431 1.00 0.00 C ATOM 1009 O VAL A 64 -23.749 -20.762 4.455 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.505 -22.624 7.028 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -22.553 -23.095 5.939 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.897 -22.834 8.407 1.00 0.00 C ATOM 0 H VAL A 64 -25.016 -21.369 8.564 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.969 -20.537 6.905 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.416 -23.219 6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -22.305 -24.144 6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -23.029 -22.981 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.642 -22.498 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.643 -23.886 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.995 -22.229 8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.616 -22.538 9.171 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.795 -21.050 5.348 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.491 -20.901 4.075 1.00 0.00 C ATOM 1024 C GLU A 65 -26.317 -19.489 3.522 1.00 0.00 C ATOM 1025 O GLU A 65 -26.117 -19.303 2.322 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.979 -21.215 4.242 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.248 -22.464 5.065 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.691 -22.922 4.975 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.518 -22.174 4.413 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -29.993 -24.030 5.466 1.00 0.00 O ATOM 0 H GLU A 65 -26.407 -21.219 6.146 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.055 -21.606 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.470 -20.365 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.429 -21.335 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.594 -23.267 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -27.997 -22.269 6.108 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.395 -18.500 4.406 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.248 -17.106 4.006 1.00 0.00 C ATOM 1039 C GLN A 66 -24.852 -16.843 3.450 1.00 0.00 C ATOM 1040 O GLN A 66 -24.676 -16.028 2.544 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.519 -16.181 5.193 1.00 0.00 C ATOM 1042 CG GLN A 66 -27.998 -15.985 5.486 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.251 -14.896 6.511 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -28.487 -15.177 7.686 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.203 -13.645 6.069 1.00 0.00 N ATOM 0 H GLN A 66 -26.559 -18.638 5.403 1.00 0.00 H new ATOM 0 HA GLN A 66 -26.976 -16.901 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.032 -16.589 6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.064 -15.210 4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.518 -15.736 4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.421 -16.923 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.004 -13.459 5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.365 -12.870 6.712 1.00 0.00 H new ATOM 1054 N LEU A 67 -23.862 -17.538 4.000 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.480 -17.379 3.560 1.00 0.00 C ATOM 1056 C LEU A 67 -22.335 -17.735 2.084 1.00 0.00 C ATOM 1057 O LEU A 67 -21.715 -17.000 1.316 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.552 -18.257 4.402 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.029 -17.633 5.696 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -19.940 -16.615 5.395 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.166 -16.987 6.474 1.00 0.00 C ATOM 0 H LEU A 67 -23.990 -18.216 4.751 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.200 -16.334 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.083 -19.175 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -20.697 -18.541 3.788 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.599 -18.424 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.580 -16.181 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.114 -17.107 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.344 -15.826 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.775 -16.548 7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -22.626 -16.208 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -22.912 -17.742 6.722 1.00 0.00 H new ATOM 1073 N MET A 68 -22.912 -18.867 1.694 1.00 0.00 N ATOM 1074 CA MET A 68 -22.849 -19.318 0.308 1.00 0.00 C ATOM 1075 C MET A 68 -23.760 -18.476 -0.580 1.00 0.00 C ATOM 1076 O MET A 68 -23.372 -18.066 -1.674 1.00 0.00 O ATOM 1077 CB MET A 68 -23.245 -20.793 0.211 1.00 0.00 C ATOM 1078 CG MET A 68 -22.594 -21.668 1.270 1.00 0.00 C ATOM 1079 SD MET A 68 -22.339 -23.363 0.711 1.00 0.00 S ATOM 1080 CE MET A 68 -24.025 -23.964 0.672 1.00 0.00 C ATOM 0 H MET A 68 -23.428 -19.488 2.317 1.00 0.00 H new ATOM 0 HA MET A 68 -21.823 -19.201 -0.040 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.328 -20.876 0.298 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.975 -21.169 -0.776 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.635 -21.235 1.554 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.218 -21.674 2.164 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.033 -25.003 0.344 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.459 -23.895 1.669 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.611 -23.360 -0.021 1.00 0.00 H new ATOM 1090 N LYS A 69 -24.973 -18.221 -0.102 1.00 0.00 N ATOM 1091 CA LYS A 69 -25.940 -17.427 -0.851 1.00 0.00 C ATOM 1092 C LYS A 69 -25.414 -16.016 -1.094 1.00 0.00 C ATOM 1093 O LYS A 69 -25.728 -15.392 -2.106 1.00 0.00 O ATOM 1094 CB LYS A 69 -27.271 -17.364 -0.100 1.00 0.00 C ATOM 1095 CG LYS A 69 -28.453 -17.866 -0.912 1.00 0.00 C ATOM 1096 CD LYS A 69 -29.274 -18.880 -0.134 1.00 0.00 C ATOM 1097 CE LYS A 69 -30.693 -18.980 -0.673 1.00 0.00 C ATOM 1098 NZ LYS A 69 -31.596 -19.693 0.272 1.00 0.00 N ATOM 0 H LYS A 69 -25.310 -18.553 0.802 1.00 0.00 H new ATOM 0 HA LYS A 69 -26.097 -17.909 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -27.192 -17.954 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.460 -16.334 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -29.085 -17.024 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.094 -18.319 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.794 -19.857 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -29.302 -18.596 0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -31.081 -17.979 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -30.682 -19.503 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -32.553 -19.740 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -31.240 -20.657 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -31.627 -19.180 1.176 1.00 0.00 H new ATOM 1112 N ALA A 70 -24.610 -15.521 -0.158 1.00 0.00 N ATOM 1113 CA ALA A 70 -24.037 -14.185 -0.272 1.00 0.00 C ATOM 1114 C ALA A 70 -23.054 -14.107 -1.435 1.00 0.00 C ATOM 1115 O ALA A 70 -22.806 -13.032 -1.979 1.00 0.00 O ATOM 1116 CB ALA A 70 -23.353 -13.792 1.028 1.00 0.00 C ATOM 0 H ALA A 70 -24.341 -16.025 0.687 1.00 0.00 H new ATOM 0 HA ALA A 70 -24.848 -13.484 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -22.930 -12.792 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -24.081 -13.799 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -22.557 -14.503 1.250 1.00 0.00 H new ATOM 1122 N ASN A 71 -22.496 -15.254 -1.810 1.00 0.00 N ATOM 1123 CA ASN A 71 -21.537 -15.314 -2.908 1.00 0.00 C ATOM 1124 C ASN A 71 -22.220 -15.745 -4.202 1.00 0.00 C ATOM 1125 O ASN A 71 -22.124 -15.065 -5.223 1.00 0.00 O ATOM 1126 CB ASN A 71 -20.403 -16.283 -2.569 1.00 0.00 C ATOM 1127 CG ASN A 71 -19.267 -15.606 -1.826 1.00 0.00 C ATOM 1128 OD1 ASN A 71 -19.411 -14.485 -1.338 1.00 0.00 O ATOM 1129 ND2 ASN A 71 -18.131 -16.287 -1.736 1.00 0.00 N ATOM 0 H ASN A 71 -22.691 -16.153 -1.370 1.00 0.00 H new ATOM 0 HA ASN A 71 -21.122 -14.316 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -20.795 -17.099 -1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -20.020 -16.725 -3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -17.332 -15.884 -1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -18.057 -17.214 -2.156 1.00 0.00 H new ATOM 1136 N GLY A 72 -22.910 -16.881 -4.152 1.00 0.00 N ATOM 1137 CA GLY A 72 -23.599 -17.383 -5.326 1.00 0.00 C ATOM 1138 C GLY A 72 -23.049 -18.715 -5.795 1.00 0.00 C ATOM 1139 O GLY A 72 -23.026 -18.997 -6.993 1.00 0.00 O ATOM 0 H GLY A 72 -23.004 -17.462 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.660 -17.490 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -23.515 -16.654 -6.132 1.00 0.00 H new ATOM 1143 N GLU A 73 -22.603 -19.536 -4.850 1.00 0.00 N ATOM 1144 CA GLU A 73 -22.047 -20.845 -5.174 1.00 0.00 C ATOM 1145 C GLU A 73 -23.099 -21.938 -5.011 1.00 0.00 C ATOM 1146 O GLU A 73 -23.560 -22.208 -3.903 1.00 0.00 O ATOM 1147 CB GLU A 73 -20.840 -21.146 -4.284 1.00 0.00 C ATOM 1148 CG GLU A 73 -19.532 -20.592 -4.824 1.00 0.00 C ATOM 1149 CD GLU A 73 -18.318 -21.212 -4.160 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -18.297 -22.449 -3.995 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -17.387 -20.457 -3.805 1.00 0.00 O ATOM 0 H GLU A 73 -22.616 -19.318 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 73 -21.725 -20.827 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -21.018 -20.731 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -20.746 -22.226 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -19.483 -20.768 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -19.511 -19.512 -4.676 1.00 0.00 H new ATOM 1158 N GLN A 74 -23.473 -22.562 -6.123 1.00 0.00 N ATOM 1159 CA GLN A 74 -24.471 -23.625 -6.103 1.00 0.00 C ATOM 1160 C GLN A 74 -23.812 -24.993 -6.243 1.00 0.00 C ATOM 1161 O GLN A 74 -24.492 -26.014 -6.350 1.00 0.00 O ATOM 1162 CB GLN A 74 -25.488 -23.419 -7.227 1.00 0.00 C ATOM 1163 CG GLN A 74 -26.376 -22.201 -7.028 1.00 0.00 C ATOM 1164 CD GLN A 74 -27.629 -22.247 -7.879 1.00 0.00 C ATOM 1165 OE1 GLN A 74 -28.244 -23.301 -8.043 1.00 0.00 O ATOM 1166 NE2 GLN A 74 -28.016 -21.100 -8.426 1.00 0.00 N ATOM 0 H GLN A 74 -23.100 -22.350 -7.049 1.00 0.00 H new ATOM 0 HA GLN A 74 -24.987 -23.587 -5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -24.956 -23.320 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -26.115 -24.307 -7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -26.657 -22.129 -5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -25.811 -21.301 -7.269 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -27.476 -20.250 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -28.853 -21.069 -9.008 1.00 0.00 H new ATOM 1175 N VAL A 75 -22.483 -25.008 -6.241 1.00 0.00 N ATOM 1176 CA VAL A 75 -21.731 -26.251 -6.367 1.00 0.00 C ATOM 1177 C VAL A 75 -22.181 -27.272 -5.328 1.00 0.00 C ATOM 1178 O VAL A 75 -22.526 -26.916 -4.201 1.00 0.00 O ATOM 1179 CB VAL A 75 -20.218 -26.010 -6.212 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -19.904 -25.449 -4.833 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -19.446 -27.297 -6.461 1.00 0.00 C ATOM 0 H VAL A 75 -21.904 -24.173 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 75 -21.928 -26.641 -7.366 1.00 0.00 H new ATOM 0 HB VAL A 75 -19.907 -25.276 -6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.830 -25.285 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.428 -24.503 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -20.229 -26.156 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -18.378 -27.109 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -19.759 -28.054 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.646 -27.652 -7.472 1.00 0.00 H new ATOM 1191 N SER A 76 -22.174 -28.544 -5.715 1.00 0.00 N ATOM 1192 CA SER A 76 -22.585 -29.618 -4.818 1.00 0.00 C ATOM 1193 C SER A 76 -21.562 -30.750 -4.822 1.00 0.00 C ATOM 1194 O SER A 76 -21.235 -31.308 -3.775 1.00 0.00 O ATOM 1195 CB SER A 76 -23.958 -30.155 -5.226 1.00 0.00 C ATOM 1196 OG SER A 76 -24.998 -29.344 -4.706 1.00 0.00 O ATOM 0 H SER A 76 -21.888 -28.856 -6.643 1.00 0.00 H new ATOM 0 HA SER A 76 -22.647 -29.211 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 76 -24.030 -30.191 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 76 -24.074 -31.177 -4.865 1.00 0.00 H new ATOM 0 HG SER A 76 -25.865 -29.707 -4.982 1.00 0.00 H new ATOM 1202 N GLN A 77 -21.061 -31.082 -6.008 1.00 0.00 N ATOM 1203 CA GLN A 77 -20.076 -32.148 -6.149 1.00 0.00 C ATOM 1204 C GLN A 77 -18.901 -31.931 -5.201 1.00 0.00 C ATOM 1205 O GLN A 77 -18.282 -32.888 -4.736 1.00 0.00 O ATOM 1206 CB GLN A 77 -19.576 -32.221 -7.592 1.00 0.00 C ATOM 1207 CG GLN A 77 -19.061 -30.894 -8.126 1.00 0.00 C ATOM 1208 CD GLN A 77 -18.310 -31.043 -9.434 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -18.752 -31.751 -10.340 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -17.167 -30.376 -9.541 1.00 0.00 N ATOM 0 H GLN A 77 -21.321 -30.629 -6.884 1.00 0.00 H new ATOM 0 HA GLN A 77 -20.558 -33.091 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -18.779 -32.962 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -20.387 -32.570 -8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -19.901 -30.214 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -18.405 -30.439 -7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -16.838 -29.801 -8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -16.618 -30.439 -10.399 1.00 0.00 H new ATOM 1219 N ASP A 78 -18.598 -30.668 -4.921 1.00 0.00 N ATOM 1220 CA ASP A 78 -17.497 -30.326 -4.029 1.00 0.00 C ATOM 1221 C ASP A 78 -17.670 -30.996 -2.669 1.00 0.00 C ATOM 1222 O ASP A 78 -18.763 -31.444 -2.321 1.00 0.00 O ATOM 1223 CB ASP A 78 -17.405 -28.809 -3.856 1.00 0.00 C ATOM 1224 CG ASP A 78 -16.086 -28.374 -3.250 1.00 0.00 C ATOM 1225 OD1 ASP A 78 -15.046 -28.517 -3.927 1.00 0.00 O ATOM 1226 OD2 ASP A 78 -16.092 -27.890 -2.098 1.00 0.00 O ATOM 0 H ASP A 78 -19.100 -29.864 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.573 -30.690 -4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -17.532 -28.327 -4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.223 -28.468 -3.221 1.00 0.00 H new ATOM 1231 N VAL A 79 -16.585 -31.061 -1.905 1.00 0.00 N ATOM 1232 CA VAL A 79 -16.617 -31.677 -0.583 1.00 0.00 C ATOM 1233 C VAL A 79 -17.268 -30.751 0.438 1.00 0.00 C ATOM 1234 O VAL A 79 -17.908 -31.206 1.385 1.00 0.00 O ATOM 1235 CB VAL A 79 -15.201 -32.043 -0.100 1.00 0.00 C ATOM 1236 CG1 VAL A 79 -14.344 -30.794 0.036 1.00 0.00 C ATOM 1237 CG2 VAL A 79 -15.267 -32.800 1.218 1.00 0.00 C ATOM 0 H VAL A 79 -15.673 -30.695 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 79 -17.209 -32.588 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.739 -32.693 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.347 -31.072 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.270 -30.296 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.800 -30.117 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.258 -33.051 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.748 -32.177 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.843 -33.716 1.083 1.00 0.00 H new ATOM 1247 N GLY A 80 -17.099 -29.447 0.239 1.00 0.00 N ATOM 1248 CA GLY A 80 -17.676 -28.477 1.151 1.00 0.00 C ATOM 1249 C GLY A 80 -16.638 -27.534 1.727 1.00 0.00 C ATOM 1250 O GLY A 80 -15.907 -27.893 2.649 1.00 0.00 O ATOM 0 H GLY A 80 -16.573 -29.046 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.437 -27.899 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -18.177 -29.001 1.965 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.573 -26.324 1.181 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.616 -25.327 1.646 1.00 0.00 C ATOM 1256 C ASP A 81 -15.821 -23.999 0.922 1.00 0.00 C ATOM 1257 O ASP A 81 -16.053 -23.968 -0.287 1.00 0.00 O ATOM 1258 CB ASP A 81 -14.185 -25.823 1.432 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.168 -24.701 1.497 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -12.996 -23.996 0.481 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.542 -24.527 2.565 1.00 0.00 O ATOM 0 H ASP A 81 -17.171 -26.011 0.417 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.782 -25.169 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.946 -26.571 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.116 -26.317 0.463 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.735 -22.905 1.670 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.911 -21.573 1.100 1.00 0.00 C ATOM 1268 C LEU A 82 -14.981 -20.567 1.769 1.00 0.00 C ATOM 1269 O LEU A 82 -14.723 -20.648 2.970 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.365 -21.121 1.253 1.00 0.00 C ATOM 1271 CG LEU A 82 -18.013 -20.513 0.008 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -19.526 -20.493 0.150 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -17.480 -19.110 -0.240 1.00 0.00 C ATOM 0 H LEU A 82 -15.545 -22.913 2.672 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.661 -21.622 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.960 -21.979 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.414 -20.388 2.058 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.757 -21.134 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -19.970 -20.057 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -19.893 -21.511 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -19.802 -19.896 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.952 -18.693 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -17.704 -18.478 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.401 -19.152 -0.388 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.481 -19.617 0.984 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.580 -18.594 1.502 1.00 0.00 C ATOM 1287 C GLU A 83 -14.103 -17.197 1.182 1.00 0.00 C ATOM 1288 O GLU A 83 -14.618 -16.949 0.092 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.179 -18.773 0.915 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.149 -18.765 -0.605 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.155 -17.362 -1.180 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.940 -16.403 -0.410 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.373 -17.224 -2.402 1.00 0.00 O ATOM 0 H GLU A 83 -14.685 -19.535 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.529 -18.705 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.534 -17.977 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.762 -19.714 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.259 -19.291 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.011 -19.313 -0.985 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.967 -16.287 2.141 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.426 -14.914 1.963 1.00 0.00 C ATOM 1302 C PHE A 84 -13.327 -13.921 2.328 1.00 0.00 C ATOM 1303 O PHE A 84 -12.749 -13.991 3.413 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.668 -14.655 2.819 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.764 -15.659 2.604 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.693 -15.484 1.591 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -16.865 -16.778 3.414 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.703 -16.405 1.391 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -17.873 -17.704 3.219 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.793 -17.517 2.206 1.00 0.00 C ATOM 0 H PHE A 84 -13.543 -16.475 3.049 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.681 -14.776 0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.382 -14.661 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.050 -13.659 2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.627 -14.617 0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -16.148 -16.929 4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -19.421 -16.256 0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -17.941 -18.572 3.858 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.581 -18.239 2.051 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.043 -12.999 1.414 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.012 -11.992 1.640 1.00 0.00 C ATOM 1322 C GLU A 85 -12.635 -10.645 1.995 1.00 0.00 C ATOM 1323 O GLU A 85 -12.007 -9.812 2.648 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.130 -11.847 0.398 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.598 -13.170 -0.129 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.776 -13.006 -1.392 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -9.942 -11.975 -2.078 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -8.968 -13.908 -1.696 1.00 0.00 O ATOM 0 H GLU A 85 -13.512 -12.928 0.511 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.397 -12.320 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.703 -11.356 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.289 -11.195 0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.987 -13.643 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.434 -13.840 -0.329 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.873 -10.439 1.558 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.582 -9.194 1.830 1.00 0.00 C ATOM 1337 C ASP A 86 -16.088 -9.383 1.680 1.00 0.00 C ATOM 1338 O ASP A 86 -16.626 -9.309 0.575 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.098 -8.091 0.887 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.649 -6.728 1.260 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -14.170 -6.147 2.256 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -15.558 -6.243 0.554 1.00 0.00 O ATOM 0 H ASP A 86 -14.406 -11.118 1.014 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.371 -8.901 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.009 -8.056 0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.395 -8.333 -0.133 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.762 -9.628 2.799 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.206 -9.827 2.792 1.00 0.00 C ATOM 1349 C ILE A 87 -18.914 -8.695 2.055 1.00 0.00 C ATOM 1350 O ILE A 87 -18.420 -7.570 1.973 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.768 -9.924 4.222 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.309 -8.727 5.056 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.334 -11.228 4.874 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.842 -8.736 6.472 1.00 0.00 C ATOM 0 H ILE A 87 -16.331 -9.693 3.721 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.392 -10.767 2.273 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.857 -9.911 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.220 -8.712 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.626 -7.808 4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.739 -11.282 5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.706 -12.069 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.246 -11.269 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.476 -7.858 7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.932 -8.719 6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.503 -9.637 6.983 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.101 -8.996 1.508 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.904 -8.016 0.771 1.00 0.00 C ATOM 1368 C PRO A 88 -21.487 -6.941 1.682 1.00 0.00 C ATOM 1369 O PRO A 88 -21.109 -6.831 2.848 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.023 -8.862 0.159 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.139 -10.043 1.059 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.751 -10.316 1.567 1.00 0.00 C ATOM 0 HA PRO A 88 -20.310 -7.474 0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.959 -8.306 0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.780 -9.163 -0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.823 -9.840 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.534 -10.905 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.765 -10.712 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.233 -11.047 0.947 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.408 -6.150 1.142 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.044 -5.084 1.907 1.00 0.00 C ATOM 1382 C ASP A 89 -24.460 -5.479 2.315 1.00 0.00 C ATOM 1383 O ASP A 89 -25.060 -4.859 3.194 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.077 -3.791 1.091 1.00 0.00 C ATOM 1385 CG ASP A 89 -21.691 -3.323 0.692 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -20.821 -3.218 1.582 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -21.477 -3.063 -0.510 1.00 0.00 O ATOM 0 H ASP A 89 -22.731 -6.227 0.177 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.457 -4.919 2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.677 -3.946 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -23.568 -3.010 1.672 1.00 0.00 H new ATOM 1392 N SER A 90 -24.989 -6.514 1.671 1.00 0.00 N ATOM 1393 CA SER A 90 -26.337 -6.989 1.964 1.00 0.00 C ATOM 1394 C SER A 90 -26.371 -7.748 3.287 1.00 0.00 C ATOM 1395 O SER A 90 -27.390 -7.768 3.979 1.00 0.00 O ATOM 1396 CB SER A 90 -26.840 -7.889 0.834 1.00 0.00 C ATOM 1397 OG SER A 90 -26.602 -7.300 -0.433 1.00 0.00 O ATOM 0 H SER A 90 -24.505 -7.040 0.943 1.00 0.00 H new ATOM 0 HA SER A 90 -26.991 -6.121 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.342 -8.857 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 90 -27.907 -8.072 0.959 1.00 0.00 H new ATOM 0 HG SER A 90 -26.931 -7.896 -1.138 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.250 -8.371 3.633 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.149 -9.132 4.873 1.00 0.00 C ATOM 1405 C LEU A 91 -24.986 -8.201 6.071 1.00 0.00 C ATOM 1406 O LEU A 91 -25.805 -8.207 6.991 1.00 0.00 O ATOM 1407 CB LEU A 91 -23.970 -10.104 4.804 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.091 -11.235 3.783 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -22.802 -12.039 3.721 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.269 -12.137 4.124 1.00 0.00 C ATOM 0 H LEU A 91 -24.398 -8.364 3.072 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.072 -9.699 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.068 -9.534 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.831 -10.546 5.791 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.268 -10.795 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -22.907 -12.840 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -21.980 -11.386 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.594 -12.469 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.340 -12.937 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.122 -12.568 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.189 -11.553 4.115 1.00 0.00 H new ATOM 1422 N LYS A 92 -23.926 -7.401 6.052 1.00 0.00 N ATOM 1423 CA LYS A 92 -23.657 -6.461 7.134 1.00 0.00 C ATOM 1424 C LYS A 92 -24.882 -5.601 7.425 1.00 0.00 C ATOM 1425 O LYS A 92 -25.085 -5.155 8.555 1.00 0.00 O ATOM 1426 CB LYS A 92 -22.466 -5.569 6.778 1.00 0.00 C ATOM 1427 CG LYS A 92 -22.657 -4.787 5.489 1.00 0.00 C ATOM 1428 CD LYS A 92 -23.225 -3.403 5.756 1.00 0.00 C ATOM 1429 CE LYS A 92 -22.246 -2.311 5.354 1.00 0.00 C ATOM 1430 NZ LYS A 92 -21.365 -1.912 6.487 1.00 0.00 N ATOM 0 H LYS A 92 -23.238 -7.384 5.299 1.00 0.00 H new ATOM 0 HA LYS A 92 -23.418 -7.035 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -22.289 -4.869 7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -21.573 -6.188 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -21.701 -4.696 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -23.327 -5.335 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -24.157 -3.279 5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -23.466 -3.305 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -21.633 -2.660 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -22.798 -1.441 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -20.712 -1.166 6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -21.948 -1.555 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.819 -2.736 6.809 1.00 0.00 H new ATOM 1444 N ASP A 93 -25.696 -5.373 6.400 1.00 0.00 N ATOM 1445 CA ASP A 93 -26.903 -4.568 6.547 1.00 0.00 C ATOM 1446 C ASP A 93 -27.802 -5.131 7.643 1.00 0.00 C ATOM 1447 O ASP A 93 -28.330 -4.388 8.470 1.00 0.00 O ATOM 1448 CB ASP A 93 -27.667 -4.510 5.223 1.00 0.00 C ATOM 1449 CG ASP A 93 -29.088 -4.012 5.396 1.00 0.00 C ATOM 1450 OD1 ASP A 93 -29.263 -2.824 5.740 1.00 0.00 O ATOM 1451 OD2 ASP A 93 -30.026 -4.810 5.188 1.00 0.00 O ATOM 0 H ASP A 93 -25.542 -5.734 5.459 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.605 -3.559 6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -27.138 -3.856 4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -27.685 -5.503 4.774 1.00 0.00 H new ATOM 1456 N VAL A 94 -27.973 -6.449 7.642 1.00 0.00 N ATOM 1457 CA VAL A 94 -28.808 -7.113 8.636 1.00 0.00 C ATOM 1458 C VAL A 94 -28.198 -7.002 10.028 1.00 0.00 C ATOM 1459 O VAL A 94 -28.899 -7.112 11.036 1.00 0.00 O ATOM 1460 CB VAL A 94 -29.013 -8.600 8.294 1.00 0.00 C ATOM 1461 CG1 VAL A 94 -27.843 -9.431 8.798 1.00 0.00 C ATOM 1462 CG2 VAL A 94 -30.326 -9.104 8.876 1.00 0.00 C ATOM 0 H VAL A 94 -27.544 -7.078 6.964 1.00 0.00 H new ATOM 0 HA VAL A 94 -29.775 -6.609 8.625 1.00 0.00 H new ATOM 0 HB VAL A 94 -29.059 -8.702 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -28.006 -10.479 8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -26.922 -9.085 8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -27.761 -9.326 9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -30.455 -10.157 8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -30.312 -8.989 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -31.153 -8.528 8.461 1.00 0.00 H new ATOM 1472 N LEU A 95 -26.889 -6.784 10.079 1.00 0.00 N ATOM 1473 CA LEU A 95 -26.183 -6.657 11.349 1.00 0.00 C ATOM 1474 C LEU A 95 -26.223 -5.218 11.854 1.00 0.00 C ATOM 1475 O LEU A 95 -25.977 -4.955 13.030 1.00 0.00 O ATOM 1476 CB LEU A 95 -24.731 -7.116 11.196 1.00 0.00 C ATOM 1477 CG LEU A 95 -24.497 -8.300 10.258 1.00 0.00 C ATOM 1478 CD1 LEU A 95 -23.008 -8.555 10.081 1.00 0.00 C ATOM 1479 CD2 LEU A 95 -25.194 -9.545 10.787 1.00 0.00 C ATOM 0 H LEU A 95 -26.295 -6.691 9.255 1.00 0.00 H new ATOM 0 HA LEU A 95 -26.684 -7.292 12.080 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -24.140 -6.273 10.839 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -24.348 -7.378 12.182 1.00 0.00 H new ATOM 0 HG LEU A 95 -24.921 -8.056 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -22.861 -9.401 9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -22.535 -7.669 9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -22.559 -8.777 11.049 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -25.017 -10.378 10.107 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -24.800 -9.791 11.773 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -26.265 -9.359 10.861 1.00 0.00 H new ATOM 1491 N GLY A 96 -26.537 -4.290 10.955 1.00 0.00 N ATOM 1492 CA GLY A 96 -26.605 -2.889 11.328 1.00 0.00 C ATOM 1493 C GLY A 96 -28.030 -2.374 11.385 1.00 0.00 C ATOM 1494 O GLY A 96 -28.293 -1.216 11.059 1.00 0.00 O ATOM 0 H GLY A 96 -26.745 -4.483 9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -26.133 -2.752 12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -26.036 -2.297 10.611 1.00 0.00 H new ATOM 1498 N LYS A 97 -28.953 -3.235 11.799 1.00 0.00 N ATOM 1499 CA LYS A 97 -30.359 -2.862 11.898 1.00 0.00 C ATOM 1500 C LYS A 97 -30.707 -2.421 13.316 1.00 0.00 C ATOM 1501 O LYS A 97 -31.629 -1.632 13.523 1.00 0.00 O ATOM 1502 CB LYS A 97 -31.250 -4.036 11.485 1.00 0.00 C ATOM 1503 CG LYS A 97 -31.170 -5.222 12.431 1.00 0.00 C ATOM 1504 CD LYS A 97 -32.453 -5.386 13.228 1.00 0.00 C ATOM 1505 CE LYS A 97 -32.648 -6.826 13.680 1.00 0.00 C ATOM 1506 NZ LYS A 97 -34.087 -7.154 13.878 1.00 0.00 N ATOM 0 H LYS A 97 -28.752 -4.197 12.072 1.00 0.00 H new ATOM 0 HA LYS A 97 -30.535 -2.025 11.223 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -32.284 -3.695 11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -30.968 -4.361 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -30.976 -6.131 11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -30.331 -5.088 13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -32.428 -4.730 14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -33.303 -5.076 12.620 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -32.220 -7.501 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -32.106 -6.991 14.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -34.178 -8.143 14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -34.489 -6.527 14.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -34.600 -7.021 12.983 1.00 0.00 H new ATOM 1520 N TYR A 98 -29.962 -2.934 14.289 1.00 0.00 N ATOM 1521 CA TYR A 98 -30.193 -2.593 15.688 1.00 0.00 C ATOM 1522 C TYR A 98 -29.571 -1.242 16.030 1.00 0.00 C ATOM 1523 O TYR A 98 -30.055 -0.527 16.906 1.00 0.00 O ATOM 1524 CB TYR A 98 -29.617 -3.677 16.601 1.00 0.00 C ATOM 1525 CG TYR A 98 -30.671 -4.544 17.251 1.00 0.00 C ATOM 1526 CD1 TYR A 98 -31.519 -4.030 18.224 1.00 0.00 C ATOM 1527 CD2 TYR A 98 -30.820 -5.878 16.891 1.00 0.00 C ATOM 1528 CE1 TYR A 98 -32.483 -4.819 18.820 1.00 0.00 C ATOM 1529 CE2 TYR A 98 -31.782 -6.675 17.481 1.00 0.00 C ATOM 1530 CZ TYR A 98 -32.611 -6.141 18.446 1.00 0.00 C ATOM 1531 OH TYR A 98 -33.571 -6.930 19.037 1.00 0.00 O ATOM 0 H TYR A 98 -29.194 -3.587 14.135 1.00 0.00 H new ATOM 0 HA TYR A 98 -31.269 -2.528 15.846 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -28.945 -4.310 16.021 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -29.017 -3.204 17.379 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -31.423 -2.996 18.519 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -30.172 -6.299 16.136 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -33.134 -4.403 19.575 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -31.884 -7.710 17.189 1.00 0.00 H new ATOM 0 HH TYR A 98 -33.529 -7.834 18.660 1.00 0.00 H new ATOM 1541 N ALA A 99 -28.494 -0.900 15.329 1.00 0.00 N ATOM 1542 CA ALA A 99 -27.807 0.365 15.555 1.00 0.00 C ATOM 1543 C ALA A 99 -28.145 1.376 14.465 1.00 0.00 C ATOM 1544 O ALA A 99 -29.044 1.152 13.653 1.00 0.00 O ATOM 1545 CB ALA A 99 -26.303 0.144 15.623 1.00 0.00 C ATOM 0 H ALA A 99 -28.079 -1.481 14.601 1.00 0.00 H new ATOM 0 HA ALA A 99 -28.148 0.769 16.508 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -25.802 1.097 15.792 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -26.072 -0.537 16.442 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -25.956 -0.286 14.684 1.00 0.00 H new ATOM 1551 N LYS A 100 -27.422 2.490 14.452 1.00 0.00 N ATOM 1552 CA LYS A 100 -27.644 3.537 13.462 1.00 0.00 C ATOM 1553 C LYS A 100 -26.556 3.515 12.393 1.00 0.00 C ATOM 1554 O LYS A 100 -25.374 3.361 12.700 1.00 0.00 O ATOM 1555 CB LYS A 100 -27.682 4.909 14.138 1.00 0.00 C ATOM 1556 CG LYS A 100 -27.745 6.069 13.160 1.00 0.00 C ATOM 1557 CD LYS A 100 -28.368 7.301 13.795 1.00 0.00 C ATOM 1558 CE LYS A 100 -27.416 7.960 14.782 1.00 0.00 C ATOM 1559 NZ LYS A 100 -26.315 8.685 14.091 1.00 0.00 N ATOM 0 H LYS A 100 -26.676 2.692 15.117 1.00 0.00 H new ATOM 0 HA LYS A 100 -28.604 3.349 12.982 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -28.548 4.955 14.799 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -26.797 5.021 14.764 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -26.740 6.307 12.811 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -28.325 5.777 12.285 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -28.639 8.015 13.017 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -29.289 7.022 14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -27.970 8.656 15.411 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -26.994 7.201 15.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -25.789 9.257 14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -25.671 7.998 13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -26.714 9.307 13.359 1.00 0.00 H new TER 1573 LYS A 100 HETATM 1574 ZN ZN A 101 -15.631 -34.505 11.423 1.00 0.00 ZN