USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 957 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 85 THR OG1 : rot -40:sc= 0.683 USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= 1.1 F(o=-1.4,f=1.8) USER MOD Set 2.1: A 11 SER OG : rot -60:sc= 1.05 USER MOD Set 2.2: A 35 LYS NZ :NH3+ -171:sc= 0.12 (180deg=-0.817) USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0329 (180deg=-0.253) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0772 (180deg=-0.0098) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0.819 (180deg=0.77) USER MOD Single : A 10 SER OG : rot -160:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 102:sc= 0.0684 USER MOD Single : A 22 LYS NZ :NH3+ -119:sc= 1.25 (180deg=-0.178) USER MOD Single : A 24 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.115) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0841 USER MOD Single : A 37 LYS NZ :NH3+ -141:sc= 0.875 (180deg=0.394) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= -0.018 (180deg=-0.215) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= 1.03 (180deg=0.546) USER MOD Single : A 47 GLN : amide:sc= -0.0732 X(o=-0.073,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 139:sc= 0.634 (180deg=0.0354) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.36 F(o=-1.8,f=-0.36) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 0.928 (180deg=0.776) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 0.711 (180deg=0.508) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 1.57 (180deg=1.48) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -152:sc= 1.18 (180deg=0.475) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0.433 (180deg=0.395) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00806) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= -0.0112 (180deg=-0.127) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -1.15 X(o=-1.2,f=-1.3) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc=-0.00583 X(o=-0.0058,f=-0.011) USER MOD Single : A 108 HIS : no HD1:sc=-0.00905 X(o=-0.0091,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.247 F(o=-0.75,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.870 16.182 -16.010 1.00 4.24 N ATOM 2 CA MET A 1 1.474 15.996 -14.591 1.00 63.42 C ATOM 3 C MET A 1 2.662 15.493 -13.767 1.00 52.23 C ATOM 4 O MET A 1 3.683 15.074 -14.326 1.00 43.35 O ATOM 5 CB MET A 1 0.284 15.002 -14.463 1.00 21.20 C ATOM 6 CG MET A 1 -0.997 15.431 -15.198 1.00 33.13 C ATOM 7 SD MET A 1 -1.653 17.025 -14.639 1.00 13.11 S ATOM 8 CE MET A 1 -1.968 16.721 -12.896 1.00 22.14 C ATOM 0 H1 MET A 1 1.653 17.155 -16.306 1.00 4.24 H new ATOM 0 H2 MET A 1 2.891 16.009 -16.111 1.00 4.24 H new ATOM 0 H3 MET A 1 1.345 15.512 -16.608 1.00 4.24 H new ATOM 0 HA MET A 1 1.155 16.964 -14.206 1.00 63.42 H new ATOM 0 HB2 MET A 1 0.598 14.031 -14.846 1.00 21.20 H new ATOM 0 HB3 MET A 1 0.052 14.869 -13.406 1.00 21.20 H new ATOM 0 HG2 MET A 1 -0.792 15.487 -16.267 1.00 33.13 H new ATOM 0 HG3 MET A 1 -1.760 14.665 -15.059 1.00 33.13 H new ATOM 0 HE1 MET A 1 -2.564 17.537 -12.486 1.00 22.14 H new ATOM 0 HE2 MET A 1 -2.511 15.783 -12.783 1.00 22.14 H new ATOM 0 HE3 MET A 1 -1.021 16.659 -12.360 1.00 22.14 H new ATOM 20 N GLY A 2 2.523 15.566 -12.436 1.00 53.11 N ATOM 21 CA GLY A 2 3.470 14.984 -11.491 1.00 42.54 C ATOM 22 C GLY A 2 2.813 13.848 -10.738 1.00 35.45 C ATOM 23 O GLY A 2 2.539 13.960 -9.534 1.00 31.23 O ATOM 0 H GLY A 2 1.739 16.038 -11.986 1.00 53.11 H new ATOM 0 HA2 GLY A 2 4.349 14.620 -12.022 1.00 42.54 H new ATOM 0 HA3 GLY A 2 3.813 15.746 -10.791 1.00 42.54 H new ATOM 27 N SER A 3 2.536 12.754 -11.470 1.00 61.01 N ATOM 28 CA SER A 3 1.786 11.602 -10.953 1.00 62.30 C ATOM 29 C SER A 3 2.509 10.914 -9.772 1.00 60.35 C ATOM 30 O SER A 3 3.743 10.778 -9.762 1.00 45.03 O ATOM 31 CB SER A 3 1.515 10.595 -12.088 1.00 54.51 C ATOM 32 OG SER A 3 0.847 11.228 -13.174 1.00 54.33 O ATOM 0 H SER A 3 2.829 12.647 -12.441 1.00 61.01 H new ATOM 0 HA SER A 3 0.836 11.974 -10.569 1.00 62.30 H new ATOM 0 HB2 SER A 3 2.456 10.167 -12.433 1.00 54.51 H new ATOM 0 HB3 SER A 3 0.909 9.771 -11.712 1.00 54.51 H new ATOM 0 HG SER A 3 0.685 10.573 -13.885 1.00 54.33 H new ATOM 38 N LYS A 4 1.715 10.487 -8.788 1.00 64.25 N ATOM 39 CA LYS A 4 2.195 9.819 -7.576 1.00 11.01 C ATOM 40 C LYS A 4 1.261 8.645 -7.257 1.00 31.32 C ATOM 41 O LYS A 4 0.045 8.726 -7.465 1.00 3.03 O ATOM 42 CB LYS A 4 2.228 10.831 -6.390 1.00 42.05 C ATOM 43 CG LYS A 4 2.644 10.259 -5.007 1.00 33.33 C ATOM 44 CD LYS A 4 4.161 9.985 -4.870 1.00 22.44 C ATOM 45 CE LYS A 4 5.018 11.254 -5.022 1.00 24.32 C ATOM 46 NZ LYS A 4 4.665 12.293 -4.024 1.00 12.05 N ATOM 0 H LYS A 4 0.701 10.598 -8.811 1.00 64.25 H new ATOM 0 HA LYS A 4 3.206 9.444 -7.732 1.00 11.01 H new ATOM 0 HB2 LYS A 4 2.915 11.637 -6.647 1.00 42.05 H new ATOM 0 HB3 LYS A 4 1.238 11.276 -6.292 1.00 42.05 H new ATOM 0 HG2 LYS A 4 2.340 10.959 -4.229 1.00 33.33 H new ATOM 0 HG3 LYS A 4 2.100 9.331 -4.831 1.00 33.33 H new ATOM 0 HD2 LYS A 4 4.357 9.536 -3.896 1.00 22.44 H new ATOM 0 HD3 LYS A 4 4.463 9.257 -5.623 1.00 22.44 H new ATOM 0 HE2 LYS A 4 6.071 10.994 -4.916 1.00 24.32 H new ATOM 0 HE3 LYS A 4 4.890 11.659 -6.026 1.00 24.32 H new ATOM 0 HZ1 LYS A 4 5.333 13.087 -4.098 1.00 12.05 H new ATOM 0 HZ2 LYS A 4 3.700 12.635 -4.205 1.00 12.05 H new ATOM 0 HZ3 LYS A 4 4.714 11.887 -3.068 1.00 12.05 H new ATOM 60 N ILE A 5 1.847 7.543 -6.813 1.00 15.40 N ATOM 61 CA ILE A 5 1.128 6.430 -6.198 1.00 44.33 C ATOM 62 C ILE A 5 1.795 6.105 -4.862 1.00 20.34 C ATOM 63 O ILE A 5 2.977 6.430 -4.633 1.00 13.31 O ATOM 64 CB ILE A 5 1.118 5.132 -7.081 1.00 31.43 C ATOM 65 CG1 ILE A 5 2.568 4.630 -7.358 1.00 71.50 C ATOM 66 CG2 ILE A 5 0.331 5.349 -8.397 1.00 44.34 C ATOM 67 CD1 ILE A 5 2.648 3.248 -7.965 1.00 61.54 C ATOM 0 H ILE A 5 2.854 7.392 -6.870 1.00 15.40 H new ATOM 0 HA ILE A 5 0.091 6.742 -6.075 1.00 44.33 H new ATOM 0 HB ILE A 5 0.601 4.353 -6.520 1.00 31.43 H new ATOM 0 HG12 ILE A 5 3.062 5.336 -8.026 1.00 71.50 H new ATOM 0 HG13 ILE A 5 3.126 4.634 -6.421 1.00 71.50 H new ATOM 0 HG21 ILE A 5 0.344 4.431 -8.984 1.00 44.34 H new ATOM 0 HG22 ILE A 5 -0.700 5.617 -8.165 1.00 44.34 H new ATOM 0 HG23 ILE A 5 0.794 6.153 -8.970 1.00 44.34 H new ATOM 0 HD11 ILE A 5 3.693 2.980 -8.124 1.00 61.54 H new ATOM 0 HD12 ILE A 5 2.187 2.527 -7.290 1.00 61.54 H new ATOM 0 HD13 ILE A 5 2.122 3.239 -8.920 1.00 61.54 H new ATOM 79 N ILE A 6 1.038 5.470 -3.974 1.00 3.05 N ATOM 80 CA ILE A 6 1.558 5.006 -2.686 1.00 61.21 C ATOM 81 C ILE A 6 1.311 3.502 -2.563 1.00 33.32 C ATOM 82 O ILE A 6 0.246 3.007 -2.941 1.00 1.45 O ATOM 83 CB ILE A 6 0.892 5.774 -1.488 1.00 71.35 C ATOM 84 CG1 ILE A 6 1.082 7.328 -1.621 1.00 35.05 C ATOM 85 CG2 ILE A 6 1.419 5.273 -0.129 1.00 41.01 C ATOM 86 CD1 ILE A 6 2.510 7.845 -1.560 1.00 63.45 C ATOM 0 H ILE A 6 0.051 5.261 -4.122 1.00 3.05 H new ATOM 0 HA ILE A 6 2.628 5.208 -2.644 1.00 61.21 H new ATOM 0 HB ILE A 6 -0.177 5.563 -1.530 1.00 71.35 H new ATOM 0 HG12 ILE A 6 0.645 7.645 -2.568 1.00 35.05 H new ATOM 0 HG13 ILE A 6 0.510 7.811 -0.828 1.00 35.05 H new ATOM 0 HG21 ILE A 6 0.936 5.827 0.675 1.00 41.01 H new ATOM 0 HG22 ILE A 6 1.198 4.211 -0.022 1.00 41.01 H new ATOM 0 HG23 ILE A 6 2.497 5.426 -0.078 1.00 41.01 H new ATOM 0 HD11 ILE A 6 2.509 8.930 -1.663 1.00 63.45 H new ATOM 0 HD12 ILE A 6 2.955 7.572 -0.603 1.00 63.45 H new ATOM 0 HD13 ILE A 6 3.091 7.404 -2.370 1.00 63.45 H new ATOM 98 N VAL A 7 2.313 2.793 -2.043 1.00 32.20 N ATOM 99 CA VAL A 7 2.245 1.360 -1.771 1.00 31.13 C ATOM 100 C VAL A 7 2.407 1.179 -0.266 1.00 5.34 C ATOM 101 O VAL A 7 3.462 1.481 0.292 1.00 63.44 O ATOM 102 CB VAL A 7 3.333 0.551 -2.566 1.00 41.11 C ATOM 103 CG1 VAL A 7 3.348 -0.933 -2.154 1.00 70.01 C ATOM 104 CG2 VAL A 7 3.120 0.702 -4.092 1.00 10.43 C ATOM 0 H VAL A 7 3.211 3.208 -1.795 1.00 32.20 H new ATOM 0 HA VAL A 7 1.286 0.965 -2.106 1.00 31.13 H new ATOM 0 HB VAL A 7 4.308 0.968 -2.314 1.00 41.11 H new ATOM 0 HG11 VAL A 7 4.112 -1.461 -2.724 1.00 70.01 H new ATOM 0 HG12 VAL A 7 3.569 -1.013 -1.090 1.00 70.01 H new ATOM 0 HG13 VAL A 7 2.373 -1.377 -2.356 1.00 70.01 H new ATOM 0 HG21 VAL A 7 3.884 0.134 -4.624 1.00 10.43 H new ATOM 0 HG22 VAL A 7 2.134 0.324 -4.361 1.00 10.43 H new ATOM 0 HG23 VAL A 7 3.193 1.754 -4.367 1.00 10.43 H new ATOM 114 N ILE A 8 1.339 0.715 0.392 1.00 75.40 N ATOM 115 CA ILE A 8 1.303 0.583 1.846 1.00 5.24 C ATOM 116 C ILE A 8 1.396 -0.898 2.219 1.00 30.35 C ATOM 117 O ILE A 8 0.653 -1.725 1.697 1.00 74.42 O ATOM 118 CB ILE A 8 0.015 1.256 2.443 1.00 4.20 C ATOM 119 CG1 ILE A 8 0.035 2.789 2.137 1.00 34.22 C ATOM 120 CG2 ILE A 8 -0.111 0.985 3.957 1.00 33.14 C ATOM 121 CD1 ILE A 8 -1.074 3.608 2.761 1.00 74.24 C ATOM 0 H ILE A 8 0.479 0.422 -0.071 1.00 75.40 H new ATOM 0 HA ILE A 8 2.157 1.105 2.278 1.00 5.24 H new ATOM 0 HB ILE A 8 -0.863 0.816 1.969 1.00 4.20 H new ATOM 0 HG12 ILE A 8 0.990 3.193 2.472 1.00 34.22 H new ATOM 0 HG13 ILE A 8 -0.006 2.923 1.056 1.00 34.22 H new ATOM 0 HG21 ILE A 8 -1.012 1.464 4.339 1.00 33.14 H new ATOM 0 HG22 ILE A 8 -0.170 -0.089 4.131 1.00 33.14 H new ATOM 0 HG23 ILE A 8 0.761 1.388 4.473 1.00 33.14 H new ATOM 0 HD11 ILE A 8 -0.956 4.654 2.479 1.00 74.24 H new ATOM 0 HD12 ILE A 8 -2.039 3.243 2.408 1.00 74.24 H new ATOM 0 HD13 ILE A 8 -1.027 3.517 3.846 1.00 74.24 H new ATOM 133 N ILE A 9 2.303 -1.202 3.140 1.00 3.44 N ATOM 134 CA ILE A 9 2.628 -2.553 3.559 1.00 51.32 C ATOM 135 C ILE A 9 1.750 -2.869 4.790 1.00 43.42 C ATOM 136 O ILE A 9 2.148 -2.634 5.939 1.00 22.10 O ATOM 137 CB ILE A 9 4.181 -2.689 3.876 1.00 42.31 C ATOM 138 CG1 ILE A 9 5.088 -2.474 2.595 1.00 75.32 C ATOM 139 CG2 ILE A 9 4.502 -4.041 4.538 1.00 21.31 C ATOM 140 CD1 ILE A 9 5.136 -1.059 2.016 1.00 21.05 C ATOM 0 H ILE A 9 2.847 -0.491 3.628 1.00 3.44 H new ATOM 0 HA ILE A 9 2.422 -3.272 2.766 1.00 51.32 H new ATOM 0 HB ILE A 9 4.418 -1.890 4.578 1.00 42.31 H new ATOM 0 HG12 ILE A 9 6.106 -2.774 2.845 1.00 75.32 H new ATOM 0 HG13 ILE A 9 4.739 -3.149 1.814 1.00 75.32 H new ATOM 0 HG21 ILE A 9 5.571 -4.102 4.741 1.00 21.31 H new ATOM 0 HG22 ILE A 9 3.949 -4.129 5.473 1.00 21.31 H new ATOM 0 HG23 ILE A 9 4.213 -4.851 3.869 1.00 21.31 H new ATOM 0 HD11 ILE A 9 5.790 -1.045 1.144 1.00 21.05 H new ATOM 0 HD12 ILE A 9 4.132 -0.752 1.722 1.00 21.05 H new ATOM 0 HD13 ILE A 9 5.520 -0.371 2.769 1.00 21.05 H new ATOM 152 N SER A 10 0.527 -3.350 4.526 1.00 73.14 N ATOM 153 CA SER A 10 -0.477 -3.571 5.573 1.00 13.23 C ATOM 154 C SER A 10 -0.310 -4.978 6.150 1.00 72.41 C ATOM 155 O SER A 10 -0.619 -5.979 5.489 1.00 51.04 O ATOM 156 CB SER A 10 -1.904 -3.373 5.037 1.00 0.33 C ATOM 157 OG SER A 10 -2.870 -3.565 6.050 1.00 15.24 O ATOM 0 H SER A 10 0.209 -3.595 3.588 1.00 73.14 H new ATOM 0 HA SER A 10 -0.322 -2.834 6.361 1.00 13.23 H new ATOM 0 HB2 SER A 10 -2.003 -2.369 4.625 1.00 0.33 H new ATOM 0 HB3 SER A 10 -2.087 -4.072 4.221 1.00 0.33 H new ATOM 0 HG SER A 10 -3.741 -3.748 5.641 1.00 15.24 H new ATOM 163 N SER A 11 0.236 -5.035 7.362 1.00 12.25 N ATOM 164 CA SER A 11 0.475 -6.293 8.072 1.00 24.23 C ATOM 165 C SER A 11 -0.017 -6.158 9.518 1.00 42.01 C ATOM 166 O SER A 11 0.438 -5.254 10.231 1.00 24.33 O ATOM 167 CB SER A 11 1.990 -6.621 8.032 1.00 74.13 C ATOM 168 OG SER A 11 2.545 -6.302 6.757 1.00 5.30 O ATOM 0 H SER A 11 0.527 -4.208 7.883 1.00 12.25 H new ATOM 0 HA SER A 11 -0.070 -7.107 7.594 1.00 24.23 H new ATOM 0 HB2 SER A 11 2.509 -6.060 8.810 1.00 74.13 H new ATOM 0 HB3 SER A 11 2.143 -7.679 8.246 1.00 74.13 H new ATOM 0 HG SER A 11 2.092 -6.825 6.063 1.00 5.30 H new ATOM 174 N ASP A 12 -0.964 -7.036 9.917 1.00 33.40 N ATOM 175 CA ASP A 12 -1.484 -7.149 11.303 1.00 54.22 C ATOM 176 C ASP A 12 -2.391 -5.951 11.694 1.00 42.34 C ATOM 177 O ASP A 12 -3.593 -6.122 11.890 1.00 11.32 O ATOM 178 CB ASP A 12 -0.324 -7.355 12.337 1.00 71.24 C ATOM 179 CG ASP A 12 0.486 -8.648 12.109 1.00 13.35 C ATOM 180 OD1 ASP A 12 1.357 -8.677 11.215 1.00 43.14 O ATOM 181 OD2 ASP A 12 0.254 -9.647 12.824 1.00 34.45 O ATOM 0 H ASP A 12 -1.398 -7.699 9.275 1.00 33.40 H new ATOM 0 HA ASP A 12 -2.113 -8.039 11.330 1.00 54.22 H new ATOM 0 HB2 ASP A 12 0.351 -6.500 12.288 1.00 71.24 H new ATOM 0 HB3 ASP A 12 -0.744 -7.372 13.343 1.00 71.24 H new ATOM 186 N ASP A 13 -1.801 -4.752 11.824 1.00 45.44 N ATOM 187 CA ASP A 13 -2.510 -3.508 12.225 1.00 32.14 C ATOM 188 C ASP A 13 -3.381 -2.939 11.072 1.00 12.25 C ATOM 189 O ASP A 13 -3.097 -3.173 9.890 1.00 51.11 O ATOM 190 CB ASP A 13 -1.468 -2.458 12.706 1.00 34.15 C ATOM 191 CG ASP A 13 -2.077 -1.093 13.081 1.00 22.22 C ATOM 192 OD1 ASP A 13 -3.065 -1.050 13.848 1.00 4.22 O ATOM 193 OD2 ASP A 13 -1.579 -0.057 12.611 1.00 12.55 O ATOM 0 H ASP A 13 -0.806 -4.609 11.653 1.00 45.44 H new ATOM 0 HA ASP A 13 -3.191 -3.746 13.042 1.00 32.14 H new ATOM 0 HB2 ASP A 13 -0.938 -2.857 13.571 1.00 34.15 H new ATOM 0 HB3 ASP A 13 -0.728 -2.310 11.920 1.00 34.15 H new ATOM 198 N THR A 14 -4.437 -2.177 11.450 1.00 50.44 N ATOM 199 CA THR A 14 -5.457 -1.652 10.522 1.00 31.25 C ATOM 200 C THR A 14 -5.303 -0.124 10.261 1.00 1.32 C ATOM 201 O THR A 14 -5.876 0.392 9.291 1.00 21.01 O ATOM 202 CB THR A 14 -6.887 -1.954 11.099 1.00 64.20 C ATOM 203 OG1 THR A 14 -6.953 -3.321 11.545 1.00 43.42 O ATOM 204 CG2 THR A 14 -8.016 -1.711 10.076 1.00 53.52 C ATOM 0 H THR A 14 -4.602 -1.909 12.420 1.00 50.44 H new ATOM 0 HA THR A 14 -5.318 -2.153 9.564 1.00 31.25 H new ATOM 0 HB THR A 14 -7.039 -1.263 11.928 1.00 64.20 H new ATOM 0 HG1 THR A 14 -7.846 -3.505 11.906 1.00 43.42 H new ATOM 0 HG21 THR A 14 -8.978 -1.937 10.535 1.00 53.52 H new ATOM 0 HG22 THR A 14 -8.002 -0.668 9.759 1.00 53.52 H new ATOM 0 HG23 THR A 14 -7.867 -2.356 9.210 1.00 53.52 H new ATOM 212 N THR A 15 -4.541 0.600 11.118 1.00 54.01 N ATOM 213 CA THR A 15 -4.361 2.070 10.984 1.00 43.24 C ATOM 214 C THR A 15 -3.859 2.459 9.572 1.00 41.24 C ATOM 215 O THR A 15 -4.282 3.471 9.008 1.00 20.21 O ATOM 216 CB THR A 15 -3.367 2.625 12.054 1.00 73.44 C ATOM 217 OG1 THR A 15 -3.690 2.078 13.339 1.00 13.12 O ATOM 218 CG2 THR A 15 -3.402 4.161 12.136 1.00 25.01 C ATOM 0 H THR A 15 -4.042 0.192 11.908 1.00 54.01 H new ATOM 0 HA THR A 15 -5.342 2.517 11.144 1.00 43.24 H new ATOM 0 HB THR A 15 -2.362 2.328 11.753 1.00 73.44 H new ATOM 0 HG1 THR A 15 -3.066 1.353 13.552 1.00 13.12 H new ATOM 0 HG21 THR A 15 -2.695 4.501 12.893 1.00 25.01 H new ATOM 0 HG22 THR A 15 -3.129 4.583 11.169 1.00 25.01 H new ATOM 0 HG23 THR A 15 -4.406 4.488 12.405 1.00 25.01 H new ATOM 226 N LEU A 16 -3.002 1.596 9.001 1.00 73.52 N ATOM 227 CA LEU A 16 -2.415 1.790 7.655 1.00 31.34 C ATOM 228 C LEU A 16 -3.512 1.786 6.560 1.00 54.44 C ATOM 229 O LEU A 16 -3.469 2.586 5.617 1.00 45.31 O ATOM 230 CB LEU A 16 -1.351 0.691 7.345 1.00 51.41 C ATOM 231 CG LEU A 16 -0.017 0.742 8.166 1.00 31.23 C ATOM 232 CD1 LEU A 16 -0.188 0.245 9.614 1.00 75.24 C ATOM 233 CD2 LEU A 16 1.106 -0.031 7.440 1.00 63.32 C ATOM 0 H LEU A 16 -2.692 0.739 9.459 1.00 73.52 H new ATOM 0 HA LEU A 16 -1.924 2.763 7.651 1.00 31.34 H new ATOM 0 HB2 LEU A 16 -1.812 -0.283 7.508 1.00 51.41 H new ATOM 0 HB3 LEU A 16 -1.100 0.751 6.286 1.00 51.41 H new ATOM 0 HG LEU A 16 0.271 1.791 8.232 1.00 31.23 H new ATOM 0 HD11 LEU A 16 0.768 0.303 10.134 1.00 75.24 H new ATOM 0 HD12 LEU A 16 -0.919 0.868 10.129 1.00 75.24 H new ATOM 0 HD13 LEU A 16 -0.534 -0.789 9.605 1.00 75.24 H new ATOM 0 HD21 LEU A 16 2.022 0.019 8.029 1.00 63.32 H new ATOM 0 HD22 LEU A 16 0.810 -1.073 7.317 1.00 63.32 H new ATOM 0 HD23 LEU A 16 1.280 0.415 6.461 1.00 63.32 H new ATOM 245 N GLU A 17 -4.483 0.882 6.737 1.00 73.31 N ATOM 246 CA GLU A 17 -5.631 0.676 5.822 1.00 43.31 C ATOM 247 C GLU A 17 -6.563 1.899 5.816 1.00 25.21 C ATOM 248 O GLU A 17 -7.033 2.347 4.757 1.00 73.25 O ATOM 249 CB GLU A 17 -6.420 -0.574 6.289 1.00 42.53 C ATOM 250 CG GLU A 17 -5.577 -1.858 6.403 1.00 71.54 C ATOM 251 CD GLU A 17 -6.347 -3.058 6.975 1.00 5.54 C ATOM 252 OE1 GLU A 17 -7.579 -3.149 6.773 1.00 71.52 O ATOM 253 OE2 GLU A 17 -5.720 -3.931 7.619 1.00 62.14 O ATOM 0 H GLU A 17 -4.500 0.253 7.540 1.00 73.31 H new ATOM 0 HA GLU A 17 -5.254 0.534 4.809 1.00 43.31 H new ATOM 0 HB2 GLU A 17 -6.869 -0.362 7.259 1.00 42.53 H new ATOM 0 HB3 GLU A 17 -7.238 -0.753 5.591 1.00 42.53 H new ATOM 0 HG2 GLU A 17 -5.196 -2.120 5.416 1.00 71.54 H new ATOM 0 HG3 GLU A 17 -4.712 -1.658 7.036 1.00 71.54 H new ATOM 260 N GLU A 18 -6.823 2.419 7.021 1.00 23.01 N ATOM 261 CA GLU A 18 -7.716 3.570 7.231 1.00 12.22 C ATOM 262 C GLU A 18 -7.114 4.861 6.661 1.00 41.52 C ATOM 263 O GLU A 18 -7.821 5.652 6.029 1.00 61.23 O ATOM 264 CB GLU A 18 -8.013 3.723 8.742 1.00 40.35 C ATOM 265 CG GLU A 18 -8.786 2.535 9.351 1.00 11.44 C ATOM 266 CD GLU A 18 -10.210 2.388 8.788 1.00 63.11 C ATOM 267 OE1 GLU A 18 -11.130 3.079 9.283 1.00 1.12 O ATOM 268 OE2 GLU A 18 -10.419 1.601 7.836 1.00 32.00 O ATOM 0 H GLU A 18 -6.419 2.053 7.883 1.00 23.01 H new ATOM 0 HA GLU A 18 -8.648 3.387 6.697 1.00 12.22 H new ATOM 0 HB2 GLU A 18 -7.071 3.843 9.277 1.00 40.35 H new ATOM 0 HB3 GLU A 18 -8.587 4.636 8.899 1.00 40.35 H new ATOM 0 HG2 GLU A 18 -8.232 1.615 9.165 1.00 11.44 H new ATOM 0 HG3 GLU A 18 -8.841 2.661 10.432 1.00 11.44 H new ATOM 275 N LEU A 19 -5.804 5.054 6.890 1.00 73.45 N ATOM 276 CA LEU A 19 -5.053 6.212 6.373 1.00 52.13 C ATOM 277 C LEU A 19 -5.000 6.174 4.833 1.00 52.41 C ATOM 278 O LEU A 19 -5.190 7.198 4.181 1.00 32.44 O ATOM 279 CB LEU A 19 -3.623 6.235 6.984 1.00 3.44 C ATOM 280 CG LEU A 19 -3.546 6.506 8.527 1.00 23.52 C ATOM 281 CD1 LEU A 19 -2.133 6.207 9.079 1.00 51.22 C ATOM 282 CD2 LEU A 19 -3.988 7.951 8.864 1.00 52.33 C ATOM 0 H LEU A 19 -5.235 4.411 7.440 1.00 73.45 H new ATOM 0 HA LEU A 19 -5.565 7.128 6.667 1.00 52.13 H new ATOM 0 HB2 LEU A 19 -3.144 5.278 6.778 1.00 3.44 H new ATOM 0 HB3 LEU A 19 -3.041 7.000 6.470 1.00 3.44 H new ATOM 0 HG LEU A 19 -4.241 5.825 9.018 1.00 23.52 H new ATOM 0 HD11 LEU A 19 -2.112 6.404 10.151 1.00 51.22 H new ATOM 0 HD12 LEU A 19 -1.885 5.161 8.898 1.00 51.22 H new ATOM 0 HD13 LEU A 19 -1.404 6.844 8.578 1.00 51.22 H new ATOM 0 HD21 LEU A 19 -3.924 8.109 9.941 1.00 52.33 H new ATOM 0 HD22 LEU A 19 -3.335 8.659 8.354 1.00 52.33 H new ATOM 0 HD23 LEU A 19 -5.016 8.103 8.535 1.00 52.33 H new ATOM 294 N ALA A 20 -4.807 4.958 4.280 1.00 44.23 N ATOM 295 CA ALA A 20 -4.715 4.707 2.816 1.00 40.31 C ATOM 296 C ALA A 20 -5.917 5.284 2.038 1.00 3.42 C ATOM 297 O ALA A 20 -5.788 5.710 0.881 1.00 43.02 O ATOM 298 CB ALA A 20 -4.606 3.194 2.554 1.00 34.40 C ATOM 0 H ALA A 20 -4.709 4.110 4.839 1.00 44.23 H new ATOM 0 HA ALA A 20 -3.822 5.218 2.457 1.00 40.31 H new ATOM 0 HB1 ALA A 20 -4.539 3.014 1.481 1.00 34.40 H new ATOM 0 HB2 ALA A 20 -3.714 2.803 3.044 1.00 34.40 H new ATOM 0 HB3 ALA A 20 -5.488 2.691 2.951 1.00 34.40 H new ATOM 304 N ARG A 21 -7.083 5.282 2.705 1.00 14.22 N ATOM 305 CA ARG A 21 -8.353 5.775 2.139 1.00 50.11 C ATOM 306 C ARG A 21 -8.303 7.301 1.850 1.00 75.40 C ATOM 307 O ARG A 21 -8.986 7.795 0.943 1.00 15.22 O ATOM 308 CB ARG A 21 -9.508 5.417 3.113 1.00 41.31 C ATOM 309 CG ARG A 21 -10.924 5.598 2.530 1.00 65.04 C ATOM 310 CD ARG A 21 -11.202 4.678 1.327 1.00 34.41 C ATOM 311 NE ARG A 21 -12.505 4.963 0.703 1.00 21.24 N ATOM 312 CZ ARG A 21 -12.747 5.944 -0.182 1.00 50.12 C ATOM 313 NH1 ARG A 21 -11.772 6.776 -0.562 1.00 22.52 N ATOM 314 NH2 ARG A 21 -13.963 6.083 -0.681 1.00 21.24 N ATOM 0 H ARG A 21 -7.173 4.936 3.660 1.00 14.22 H new ATOM 0 HA ARG A 21 -8.527 5.289 1.179 1.00 50.11 H new ATOM 0 HB2 ARG A 21 -9.390 4.381 3.429 1.00 41.31 H new ATOM 0 HB3 ARG A 21 -9.416 6.035 4.006 1.00 41.31 H new ATOM 0 HG2 ARG A 21 -11.660 5.400 3.309 1.00 65.04 H new ATOM 0 HG3 ARG A 21 -11.055 6.636 2.224 1.00 65.04 H new ATOM 0 HD2 ARG A 21 -10.411 4.800 0.587 1.00 34.41 H new ATOM 0 HD3 ARG A 21 -11.176 3.638 1.652 1.00 34.41 H new ATOM 0 HE ARG A 21 -13.289 4.366 0.965 1.00 21.24 H new ATOM 0 HH11 ARG A 21 -10.833 6.669 -0.179 1.00 22.52 H new ATOM 0 HH12 ARG A 21 -11.968 7.517 -1.235 1.00 22.52 H new ATOM 0 HH21 ARG A 21 -14.708 5.448 -0.393 1.00 21.24 H new ATOM 0 HH22 ARG A 21 -14.156 6.825 -1.354 1.00 21.24 H new ATOM 328 N LYS A 22 -7.481 8.026 2.632 1.00 34.42 N ATOM 329 CA LYS A 22 -7.274 9.480 2.475 1.00 24.11 C ATOM 330 C LYS A 22 -6.201 9.750 1.409 1.00 14.24 C ATOM 331 O LYS A 22 -6.279 10.751 0.693 1.00 0.41 O ATOM 332 CB LYS A 22 -6.870 10.148 3.829 1.00 14.05 C ATOM 333 CG LYS A 22 -7.969 10.168 4.926 1.00 43.43 C ATOM 334 CD LYS A 22 -8.264 8.777 5.513 1.00 12.01 C ATOM 335 CE LYS A 22 -9.506 8.773 6.410 1.00 63.12 C ATOM 336 NZ LYS A 22 -9.727 7.449 7.051 1.00 41.02 N ATOM 0 H LYS A 22 -6.939 7.619 3.394 1.00 34.42 H new ATOM 0 HA LYS A 22 -8.218 9.920 2.153 1.00 24.11 H new ATOM 0 HB2 LYS A 22 -5.998 9.627 4.224 1.00 14.05 H new ATOM 0 HB3 LYS A 22 -6.564 11.175 3.629 1.00 14.05 H new ATOM 0 HG2 LYS A 22 -7.659 10.836 5.730 1.00 43.43 H new ATOM 0 HG3 LYS A 22 -8.886 10.580 4.505 1.00 43.43 H new ATOM 0 HD2 LYS A 22 -8.404 8.065 4.700 1.00 12.01 H new ATOM 0 HD3 LYS A 22 -7.402 8.438 6.088 1.00 12.01 H new ATOM 0 HE2 LYS A 22 -9.398 9.536 7.181 1.00 63.12 H new ATOM 0 HE3 LYS A 22 -10.381 9.040 5.818 1.00 63.12 H new ATOM 0 HZ1 LYS A 22 -10.647 7.067 6.751 1.00 41.02 H new ATOM 0 HZ2 LYS A 22 -8.971 6.795 6.766 1.00 41.02 H new ATOM 0 HZ3 LYS A 22 -9.719 7.558 8.085 1.00 41.02 H new ATOM 350 N ILE A 23 -5.205 8.839 1.308 1.00 74.23 N ATOM 351 CA ILE A 23 -4.122 8.941 0.315 1.00 64.23 C ATOM 352 C ILE A 23 -4.693 8.811 -1.127 1.00 75.32 C ATOM 353 O ILE A 23 -4.299 9.553 -2.035 1.00 0.35 O ATOM 354 CB ILE A 23 -2.986 7.852 0.574 1.00 52.20 C ATOM 355 CG1 ILE A 23 -1.979 8.275 1.705 1.00 33.53 C ATOM 356 CG2 ILE A 23 -2.205 7.535 -0.702 1.00 53.51 C ATOM 357 CD1 ILE A 23 -2.482 8.154 3.131 1.00 14.33 C ATOM 0 H ILE A 23 -5.134 8.019 1.911 1.00 74.23 H new ATOM 0 HA ILE A 23 -3.663 9.924 0.421 1.00 64.23 H new ATOM 0 HB ILE A 23 -3.513 6.958 0.907 1.00 52.20 H new ATOM 0 HG12 ILE A 23 -1.079 7.668 1.607 1.00 33.53 H new ATOM 0 HG13 ILE A 23 -1.685 9.310 1.532 1.00 33.53 H new ATOM 0 HG21 ILE A 23 -1.440 6.789 -0.485 1.00 53.51 H new ATOM 0 HG22 ILE A 23 -2.887 7.146 -1.459 1.00 53.51 H new ATOM 0 HG23 ILE A 23 -1.731 8.443 -1.073 1.00 53.51 H new ATOM 0 HD11 ILE A 23 -1.701 8.474 3.821 1.00 14.33 H new ATOM 0 HD12 ILE A 23 -3.361 8.785 3.261 1.00 14.33 H new ATOM 0 HD13 ILE A 23 -2.746 7.117 3.337 1.00 14.33 H new ATOM 369 N LYS A 24 -5.626 7.854 -1.327 1.00 51.40 N ATOM 370 CA LYS A 24 -6.241 7.617 -2.658 1.00 71.43 C ATOM 371 C LYS A 24 -7.133 8.807 -3.068 1.00 50.42 C ATOM 372 O LYS A 24 -7.321 9.079 -4.261 1.00 73.11 O ATOM 373 CB LYS A 24 -7.060 6.291 -2.669 1.00 34.33 C ATOM 374 CG LYS A 24 -8.391 6.336 -1.893 1.00 33.45 C ATOM 375 CD LYS A 24 -9.187 5.011 -1.927 1.00 23.23 C ATOM 376 CE LYS A 24 -9.370 4.437 -3.341 1.00 14.43 C ATOM 377 NZ LYS A 24 -9.882 5.437 -4.315 1.00 73.54 N ATOM 0 H LYS A 24 -5.970 7.236 -0.592 1.00 51.40 H new ATOM 0 HA LYS A 24 -5.435 7.523 -3.386 1.00 71.43 H new ATOM 0 HB2 LYS A 24 -7.270 6.021 -3.704 1.00 34.33 H new ATOM 0 HB3 LYS A 24 -6.441 5.497 -2.252 1.00 34.33 H new ATOM 0 HG2 LYS A 24 -8.185 6.597 -0.855 1.00 33.45 H new ATOM 0 HG3 LYS A 24 -9.012 7.131 -2.305 1.00 33.45 H new ATOM 0 HD2 LYS A 24 -8.675 4.274 -1.309 1.00 23.23 H new ATOM 0 HD3 LYS A 24 -10.168 5.175 -1.481 1.00 23.23 H new ATOM 0 HE2 LYS A 24 -8.415 4.049 -3.696 1.00 14.43 H new ATOM 0 HE3 LYS A 24 -10.060 3.594 -3.298 1.00 14.43 H new ATOM 0 HZ1 LYS A 24 -10.555 4.978 -4.962 1.00 73.54 H new ATOM 0 HZ2 LYS A 24 -10.362 6.205 -3.804 1.00 73.54 H new ATOM 0 HZ3 LYS A 24 -9.088 5.828 -4.861 1.00 73.54 H new ATOM 391 N ASP A 25 -7.633 9.535 -2.047 1.00 1.14 N ATOM 392 CA ASP A 25 -8.533 10.696 -2.220 1.00 3.34 C ATOM 393 C ASP A 25 -7.765 11.929 -2.747 1.00 32.05 C ATOM 394 O ASP A 25 -8.380 12.918 -3.161 1.00 3.43 O ATOM 395 CB ASP A 25 -9.242 10.995 -0.871 1.00 25.33 C ATOM 396 CG ASP A 25 -10.324 12.098 -0.951 1.00 13.41 C ATOM 397 OD1 ASP A 25 -11.233 11.990 -1.797 1.00 64.04 O ATOM 398 OD2 ASP A 25 -10.276 13.065 -0.159 1.00 22.15 O ATOM 0 H ASP A 25 -7.421 9.332 -1.070 1.00 1.14 H new ATOM 0 HA ASP A 25 -9.288 10.457 -2.969 1.00 3.34 H new ATOM 0 HB2 ASP A 25 -9.702 10.077 -0.504 1.00 25.33 H new ATOM 0 HB3 ASP A 25 -8.492 11.291 -0.137 1.00 25.33 H new ATOM 403 N GLU A 26 -6.423 11.844 -2.767 1.00 72.44 N ATOM 404 CA GLU A 26 -5.560 12.868 -3.396 1.00 4.43 C ATOM 405 C GLU A 26 -5.607 12.772 -4.935 1.00 52.44 C ATOM 406 O GLU A 26 -5.201 13.709 -5.629 1.00 40.52 O ATOM 407 CB GLU A 26 -4.090 12.715 -2.915 1.00 33.31 C ATOM 408 CG GLU A 26 -3.898 12.751 -1.383 1.00 53.21 C ATOM 409 CD GLU A 26 -4.571 13.954 -0.702 1.00 44.31 C ATOM 410 OE1 GLU A 26 -4.300 15.104 -1.107 1.00 75.45 O ATOM 411 OE2 GLU A 26 -5.385 13.756 0.226 1.00 43.52 O ATOM 0 H GLU A 26 -5.906 11.070 -2.351 1.00 72.44 H new ATOM 0 HA GLU A 26 -5.940 13.844 -3.095 1.00 4.43 H new ATOM 0 HB2 GLU A 26 -3.696 11.772 -3.293 1.00 33.31 H new ATOM 0 HB3 GLU A 26 -3.493 13.511 -3.360 1.00 33.31 H new ATOM 0 HG2 GLU A 26 -4.298 11.832 -0.954 1.00 53.21 H new ATOM 0 HG3 GLU A 26 -2.831 12.769 -1.160 1.00 53.21 H new ATOM 418 N GLY A 27 -6.123 11.637 -5.442 1.00 32.50 N ATOM 419 CA GLY A 27 -6.106 11.327 -6.868 1.00 13.43 C ATOM 420 C GLY A 27 -4.938 10.418 -7.216 1.00 33.33 C ATOM 421 O GLY A 27 -4.292 10.587 -8.261 1.00 30.23 O ATOM 0 H GLY A 27 -6.561 10.916 -4.869 1.00 32.50 H new ATOM 0 HA2 GLY A 27 -7.042 10.845 -7.150 1.00 13.43 H new ATOM 0 HA3 GLY A 27 -6.037 12.250 -7.443 1.00 13.43 H new ATOM 425 N LEU A 28 -4.644 9.471 -6.307 1.00 72.14 N ATOM 426 CA LEU A 28 -3.566 8.480 -6.495 1.00 23.24 C ATOM 427 C LEU A 28 -4.176 7.080 -6.601 1.00 33.34 C ATOM 428 O LEU A 28 -5.182 6.797 -5.940 1.00 4.05 O ATOM 429 CB LEU A 28 -2.559 8.462 -5.300 1.00 11.04 C ATOM 430 CG LEU A 28 -2.098 9.818 -4.685 1.00 51.02 C ATOM 431 CD1 LEU A 28 -0.959 9.563 -3.681 1.00 34.43 C ATOM 432 CD2 LEU A 28 -1.675 10.863 -5.735 1.00 44.21 C ATOM 0 H LEU A 28 -5.144 9.370 -5.424 1.00 72.14 H new ATOM 0 HA LEU A 28 -3.032 8.761 -7.403 1.00 23.24 H new ATOM 0 HB2 LEU A 28 -3.007 7.872 -4.500 1.00 11.04 H new ATOM 0 HB3 LEU A 28 -1.667 7.928 -5.628 1.00 11.04 H new ATOM 0 HG LEU A 28 -2.961 10.247 -4.176 1.00 51.02 H new ATOM 0 HD11 LEU A 28 -0.635 10.510 -3.250 1.00 34.43 H new ATOM 0 HD12 LEU A 28 -1.314 8.906 -2.887 1.00 34.43 H new ATOM 0 HD13 LEU A 28 -0.120 9.092 -4.194 1.00 34.43 H new ATOM 0 HD21 LEU A 28 -1.367 11.780 -5.232 1.00 44.21 H new ATOM 0 HD22 LEU A 28 -0.843 10.474 -6.321 1.00 44.21 H new ATOM 0 HD23 LEU A 28 -2.516 11.076 -6.395 1.00 44.21 H new ATOM 444 N GLU A 29 -3.552 6.198 -7.392 1.00 20.54 N ATOM 445 CA GLU A 29 -3.882 4.765 -7.383 1.00 3.22 C ATOM 446 C GLU A 29 -3.029 4.086 -6.306 1.00 23.22 C ATOM 447 O GLU A 29 -1.807 4.016 -6.434 1.00 64.14 O ATOM 448 CB GLU A 29 -3.630 4.127 -8.775 1.00 22.03 C ATOM 449 CG GLU A 29 -4.058 2.641 -8.877 1.00 21.13 C ATOM 450 CD GLU A 29 -3.849 2.009 -10.262 1.00 4.14 C ATOM 451 OE1 GLU A 29 -4.085 2.684 -11.288 1.00 4.11 O ATOM 452 OE2 GLU A 29 -3.451 0.825 -10.343 1.00 75.35 O ATOM 0 H GLU A 29 -2.814 6.452 -8.048 1.00 20.54 H new ATOM 0 HA GLU A 29 -4.940 4.630 -7.158 1.00 3.22 H new ATOM 0 HB2 GLU A 29 -4.168 4.702 -9.529 1.00 22.03 H new ATOM 0 HB3 GLU A 29 -2.569 4.205 -9.012 1.00 22.03 H new ATOM 0 HG2 GLU A 29 -3.499 2.064 -8.141 1.00 21.13 H new ATOM 0 HG3 GLU A 29 -5.112 2.561 -8.611 1.00 21.13 H new ATOM 459 N VAL A 30 -3.666 3.611 -5.231 1.00 74.15 N ATOM 460 CA VAL A 30 -2.953 3.050 -4.076 1.00 3.32 C ATOM 461 C VAL A 30 -2.925 1.526 -4.175 1.00 41.03 C ATOM 462 O VAL A 30 -3.956 0.888 -4.416 1.00 25.24 O ATOM 463 CB VAL A 30 -3.601 3.502 -2.718 1.00 70.11 C ATOM 464 CG1 VAL A 30 -2.838 2.946 -1.491 1.00 53.55 C ATOM 465 CG2 VAL A 30 -3.681 5.034 -2.667 1.00 22.04 C ATOM 0 H VAL A 30 -4.681 3.604 -5.136 1.00 74.15 H new ATOM 0 HA VAL A 30 -1.932 3.431 -4.091 1.00 3.32 H new ATOM 0 HB VAL A 30 -4.608 3.087 -2.672 1.00 70.11 H new ATOM 0 HG11 VAL A 30 -3.324 3.286 -0.576 1.00 53.55 H new ATOM 0 HG12 VAL A 30 -2.844 1.856 -1.522 1.00 53.55 H new ATOM 0 HG13 VAL A 30 -1.809 3.304 -1.510 1.00 53.55 H new ATOM 0 HG21 VAL A 30 -4.131 5.344 -1.724 1.00 22.04 H new ATOM 0 HG22 VAL A 30 -2.678 5.454 -2.746 1.00 22.04 H new ATOM 0 HG23 VAL A 30 -4.291 5.394 -3.495 1.00 22.04 H new ATOM 475 N TYR A 31 -1.731 0.967 -3.980 1.00 24.14 N ATOM 476 CA TYR A 31 -1.491 -0.468 -3.962 1.00 2.34 C ATOM 477 C TYR A 31 -1.203 -0.853 -2.515 1.00 20.31 C ATOM 478 O TYR A 31 -0.589 -0.073 -1.781 1.00 45.10 O ATOM 479 CB TYR A 31 -0.280 -0.837 -4.853 1.00 15.44 C ATOM 480 CG TYR A 31 -0.372 -0.394 -6.331 1.00 14.53 C ATOM 481 CD1 TYR A 31 -0.148 0.939 -6.701 1.00 74.20 C ATOM 482 CD2 TYR A 31 -0.649 -1.303 -7.356 1.00 65.02 C ATOM 483 CE1 TYR A 31 -0.201 1.333 -8.023 1.00 44.25 C ATOM 484 CE2 TYR A 31 -0.691 -0.905 -8.680 1.00 4.20 C ATOM 485 CZ TYR A 31 -0.468 0.410 -9.003 1.00 74.41 C ATOM 486 OH TYR A 31 -0.498 0.806 -10.317 1.00 3.31 O ATOM 0 H TYR A 31 -0.886 1.517 -3.827 1.00 24.14 H new ATOM 0 HA TYR A 31 -2.359 -1.001 -4.351 1.00 2.34 H new ATOM 0 HB2 TYR A 31 0.616 -0.396 -4.416 1.00 15.44 H new ATOM 0 HB3 TYR A 31 -0.149 -1.919 -4.825 1.00 15.44 H new ATOM 0 HD1 TYR A 31 0.070 1.671 -5.938 1.00 74.20 H new ATOM 0 HD2 TYR A 31 -0.834 -2.338 -7.109 1.00 65.02 H new ATOM 0 HE1 TYR A 31 -0.032 2.367 -8.286 1.00 44.25 H new ATOM 0 HE2 TYR A 31 -0.898 -1.626 -9.457 1.00 4.20 H new ATOM 0 HH TYR A 31 -0.699 0.034 -10.887 1.00 3.31 H new ATOM 496 N ILE A 32 -1.648 -2.029 -2.084 1.00 44.41 N ATOM 497 CA ILE A 32 -1.408 -2.497 -0.705 1.00 31.44 C ATOM 498 C ILE A 32 -0.702 -3.857 -0.770 1.00 42.32 C ATOM 499 O ILE A 32 -1.203 -4.761 -1.432 1.00 1.34 O ATOM 500 CB ILE A 32 -2.752 -2.623 0.115 1.00 62.00 C ATOM 501 CG1 ILE A 32 -3.624 -1.320 0.044 1.00 50.41 C ATOM 502 CG2 ILE A 32 -2.460 -2.998 1.579 1.00 4.05 C ATOM 503 CD1 ILE A 32 -3.031 -0.087 0.714 1.00 65.33 C ATOM 0 H ILE A 32 -2.177 -2.682 -2.662 1.00 44.41 H new ATOM 0 HA ILE A 32 -0.785 -1.766 -0.190 1.00 31.44 H new ATOM 0 HB ILE A 32 -3.333 -3.421 -0.348 1.00 62.00 H new ATOM 0 HG12 ILE A 32 -3.810 -1.087 -1.004 1.00 50.41 H new ATOM 0 HG13 ILE A 32 -4.592 -1.528 0.500 1.00 50.41 H new ATOM 0 HG21 ILE A 32 -3.398 -3.080 2.128 1.00 4.05 H new ATOM 0 HG22 ILE A 32 -1.935 -3.953 1.612 1.00 4.05 H new ATOM 0 HG23 ILE A 32 -1.839 -2.227 2.035 1.00 4.05 H new ATOM 0 HD11 ILE A 32 -3.717 0.753 0.604 1.00 65.33 H new ATOM 0 HD12 ILE A 32 -2.873 -0.289 1.773 1.00 65.33 H new ATOM 0 HD13 ILE A 32 -2.078 0.159 0.245 1.00 65.33 H new ATOM 515 N LEU A 33 0.462 -4.011 -0.110 1.00 13.13 N ATOM 516 CA LEU A 33 1.205 -5.284 -0.108 1.00 54.45 C ATOM 517 C LEU A 33 0.990 -6.046 1.203 1.00 22.52 C ATOM 518 O LEU A 33 1.298 -5.552 2.301 1.00 22.21 O ATOM 519 CB LEU A 33 2.710 -5.046 -0.393 1.00 1.34 C ATOM 520 CG LEU A 33 3.039 -4.511 -1.824 1.00 41.12 C ATOM 521 CD1 LEU A 33 4.565 -4.483 -2.084 1.00 72.15 C ATOM 522 CD2 LEU A 33 2.289 -5.317 -2.912 1.00 42.41 C ATOM 0 H LEU A 33 0.908 -3.268 0.429 1.00 13.13 H new ATOM 0 HA LEU A 33 0.814 -5.907 -0.912 1.00 54.45 H new ATOM 0 HB2 LEU A 33 3.095 -4.337 0.340 1.00 1.34 H new ATOM 0 HB3 LEU A 33 3.245 -5.983 -0.241 1.00 1.34 H new ATOM 0 HG LEU A 33 2.685 -3.482 -1.879 1.00 41.12 H new ATOM 0 HD11 LEU A 33 4.756 -4.106 -3.089 1.00 72.15 H new ATOM 0 HD12 LEU A 33 5.047 -3.832 -1.354 1.00 72.15 H new ATOM 0 HD13 LEU A 33 4.968 -5.492 -1.993 1.00 72.15 H new ATOM 0 HD21 LEU A 33 2.539 -4.920 -3.896 1.00 42.41 H new ATOM 0 HD22 LEU A 33 2.585 -6.365 -2.857 1.00 42.41 H new ATOM 0 HD23 LEU A 33 1.214 -5.234 -2.750 1.00 42.41 H new ATOM 534 N LEU A 34 0.441 -7.255 1.057 1.00 31.04 N ATOM 535 CA LEU A 34 0.058 -8.131 2.158 1.00 40.21 C ATOM 536 C LEU A 34 1.060 -9.299 2.317 1.00 63.14 C ATOM 537 O LEU A 34 1.308 -10.057 1.368 1.00 5.12 O ATOM 538 CB LEU A 34 -1.402 -8.664 1.901 1.00 43.22 C ATOM 539 CG LEU A 34 -2.539 -8.052 2.787 1.00 52.20 C ATOM 540 CD1 LEU A 34 -2.408 -8.505 4.261 1.00 5.20 C ATOM 541 CD2 LEU A 34 -2.585 -6.506 2.676 1.00 61.33 C ATOM 0 H LEU A 34 0.247 -7.659 0.141 1.00 31.04 H new ATOM 0 HA LEU A 34 0.077 -7.568 3.091 1.00 40.21 H new ATOM 0 HB2 LEU A 34 -1.651 -8.484 0.855 1.00 43.22 H new ATOM 0 HB3 LEU A 34 -1.401 -9.744 2.047 1.00 43.22 H new ATOM 0 HG LEU A 34 -3.486 -8.432 2.405 1.00 52.20 H new ATOM 0 HD11 LEU A 34 -3.212 -8.063 4.850 1.00 5.20 H new ATOM 0 HD12 LEU A 34 -2.474 -9.592 4.315 1.00 5.20 H new ATOM 0 HD13 LEU A 34 -1.446 -8.179 4.658 1.00 5.20 H new ATOM 0 HD21 LEU A 34 -3.387 -6.120 3.305 1.00 61.33 H new ATOM 0 HD22 LEU A 34 -1.633 -6.089 3.005 1.00 61.33 H new ATOM 0 HD23 LEU A 34 -2.767 -6.221 1.640 1.00 61.33 H new ATOM 553 N LYS A 35 1.639 -9.406 3.524 1.00 42.10 N ATOM 554 CA LYS A 35 2.217 -10.656 4.035 1.00 41.30 C ATOM 555 C LYS A 35 2.029 -10.677 5.563 1.00 71.31 C ATOM 556 O LYS A 35 2.477 -9.768 6.270 1.00 72.11 O ATOM 557 CB LYS A 35 3.694 -10.942 3.580 1.00 74.13 C ATOM 558 CG LYS A 35 4.863 -10.132 4.202 1.00 30.34 C ATOM 559 CD LYS A 35 5.015 -8.684 3.660 1.00 54.21 C ATOM 560 CE LYS A 35 4.282 -7.645 4.507 1.00 2.41 C ATOM 561 NZ LYS A 35 4.758 -7.654 5.909 1.00 34.25 N ATOM 0 H LYS A 35 1.719 -8.624 4.174 1.00 42.10 H new ATOM 0 HA LYS A 35 1.678 -11.489 3.584 1.00 41.30 H new ATOM 0 HB2 LYS A 35 3.894 -11.997 3.767 1.00 74.13 H new ATOM 0 HB3 LYS A 35 3.736 -10.797 2.501 1.00 74.13 H new ATOM 0 HG2 LYS A 35 4.721 -10.087 5.282 1.00 30.34 H new ATOM 0 HG3 LYS A 35 5.794 -10.671 4.025 1.00 30.34 H new ATOM 0 HD2 LYS A 35 6.074 -8.428 3.618 1.00 54.21 H new ATOM 0 HD3 LYS A 35 4.636 -8.643 2.639 1.00 54.21 H new ATOM 0 HE2 LYS A 35 4.430 -6.654 4.078 1.00 2.41 H new ATOM 0 HE3 LYS A 35 3.211 -7.845 4.484 1.00 2.41 H new ATOM 0 HZ1 LYS A 35 4.141 -7.050 6.489 1.00 34.25 H new ATOM 0 HZ2 LYS A 35 4.736 -8.627 6.277 1.00 34.25 H new ATOM 0 HZ3 LYS A 35 5.732 -7.291 5.947 1.00 34.25 H new ATOM 575 N ASP A 36 1.311 -11.706 6.038 1.00 3.12 N ATOM 576 CA ASP A 36 0.800 -11.812 7.416 1.00 34.30 C ATOM 577 C ASP A 36 1.118 -13.208 7.977 1.00 60.00 C ATOM 578 O ASP A 36 1.599 -14.081 7.252 1.00 25.23 O ATOM 579 CB ASP A 36 -0.741 -11.535 7.401 1.00 61.24 C ATOM 580 CG ASP A 36 -1.404 -11.537 8.799 1.00 44.13 C ATOM 581 OD1 ASP A 36 -1.307 -10.523 9.521 1.00 45.30 O ATOM 582 OD2 ASP A 36 -1.986 -12.575 9.196 1.00 12.23 O ATOM 0 H ASP A 36 1.062 -12.509 5.460 1.00 3.12 H new ATOM 0 HA ASP A 36 1.280 -11.077 8.063 1.00 34.30 H new ATOM 0 HB2 ASP A 36 -0.920 -10.569 6.929 1.00 61.24 H new ATOM 0 HB3 ASP A 36 -1.227 -12.288 6.781 1.00 61.24 H new ATOM 587 N LYS A 37 0.862 -13.386 9.281 1.00 51.41 N ATOM 588 CA LYS A 37 0.996 -14.668 10.017 1.00 52.51 C ATOM 589 C LYS A 37 0.364 -15.851 9.250 1.00 74.23 C ATOM 590 O LYS A 37 0.983 -16.916 9.094 1.00 2.23 O ATOM 591 CB LYS A 37 0.309 -14.527 11.390 1.00 52.31 C ATOM 592 CG LYS A 37 0.818 -13.334 12.222 1.00 51.15 C ATOM 593 CD LYS A 37 -0.028 -13.060 13.477 1.00 1.40 C ATOM 594 CE LYS A 37 -1.513 -12.798 13.150 1.00 42.12 C ATOM 595 NZ LYS A 37 -1.703 -11.698 12.168 1.00 62.22 N ATOM 0 H LYS A 37 0.545 -12.622 9.879 1.00 51.41 H new ATOM 0 HA LYS A 37 2.059 -14.881 10.131 1.00 52.51 H new ATOM 0 HB2 LYS A 37 -0.765 -14.420 11.239 1.00 52.31 H new ATOM 0 HB3 LYS A 37 0.461 -15.445 11.958 1.00 52.31 H new ATOM 0 HG2 LYS A 37 1.849 -13.523 12.522 1.00 51.15 H new ATOM 0 HG3 LYS A 37 0.826 -12.441 11.596 1.00 51.15 H new ATOM 0 HD2 LYS A 37 0.046 -13.912 14.153 1.00 1.40 H new ATOM 0 HD3 LYS A 37 0.381 -12.198 14.005 1.00 1.40 H new ATOM 0 HE2 LYS A 37 -1.960 -13.711 12.756 1.00 42.12 H new ATOM 0 HE3 LYS A 37 -2.045 -12.553 14.070 1.00 42.12 H new ATOM 0 HZ1 LYS A 37 -2.532 -11.131 12.438 1.00 62.22 H new ATOM 0 HZ2 LYS A 37 -0.858 -11.092 12.157 1.00 62.22 H new ATOM 0 HZ3 LYS A 37 -1.852 -12.100 11.221 1.00 62.22 H new ATOM 609 N ASP A 38 -0.876 -15.633 8.773 1.00 12.41 N ATOM 610 CA ASP A 38 -1.654 -16.646 8.031 1.00 72.11 C ATOM 611 C ASP A 38 -2.083 -16.085 6.659 1.00 34.10 C ATOM 612 O ASP A 38 -2.811 -15.086 6.590 1.00 3.30 O ATOM 613 CB ASP A 38 -2.893 -17.085 8.853 1.00 10.50 C ATOM 614 CG ASP A 38 -3.745 -18.149 8.134 1.00 22.22 C ATOM 615 OD1 ASP A 38 -3.313 -19.318 8.051 1.00 34.45 O ATOM 616 OD2 ASP A 38 -4.833 -17.826 7.642 1.00 64.12 O ATOM 0 H ASP A 38 -1.369 -14.748 8.891 1.00 12.41 H new ATOM 0 HA ASP A 38 -1.025 -17.521 7.867 1.00 72.11 H new ATOM 0 HB2 ASP A 38 -2.564 -17.480 9.814 1.00 10.50 H new ATOM 0 HB3 ASP A 38 -3.512 -16.212 9.062 1.00 10.50 H new ATOM 621 N GLU A 39 -1.625 -16.756 5.578 1.00 74.13 N ATOM 622 CA GLU A 39 -1.865 -16.323 4.189 1.00 44.33 C ATOM 623 C GLU A 39 -3.333 -16.516 3.725 1.00 3.52 C ATOM 624 O GLU A 39 -3.738 -15.922 2.712 1.00 53.42 O ATOM 625 CB GLU A 39 -0.888 -17.043 3.213 1.00 75.02 C ATOM 626 CG GLU A 39 0.603 -16.947 3.620 1.00 22.11 C ATOM 627 CD GLU A 39 1.596 -17.438 2.543 1.00 3.12 C ATOM 628 OE1 GLU A 39 1.293 -18.415 1.826 1.00 14.14 O ATOM 629 OE2 GLU A 39 2.698 -16.856 2.415 1.00 65.02 O ATOM 0 H GLU A 39 -1.078 -17.614 5.648 1.00 74.13 H new ATOM 0 HA GLU A 39 -1.675 -15.250 4.169 1.00 44.33 H new ATOM 0 HB2 GLU A 39 -1.168 -18.094 3.147 1.00 75.02 H new ATOM 0 HB3 GLU A 39 -1.009 -16.618 2.217 1.00 75.02 H new ATOM 0 HG2 GLU A 39 0.834 -15.910 3.863 1.00 22.11 H new ATOM 0 HG3 GLU A 39 0.756 -17.529 4.529 1.00 22.11 H new ATOM 636 N LYS A 40 -4.127 -17.307 4.467 1.00 74.01 N ATOM 637 CA LYS A 40 -5.546 -17.553 4.113 1.00 61.32 C ATOM 638 C LYS A 40 -6.409 -16.325 4.492 1.00 44.25 C ATOM 639 O LYS A 40 -7.178 -15.810 3.672 1.00 61.13 O ATOM 640 CB LYS A 40 -6.082 -18.820 4.825 1.00 71.31 C ATOM 641 CG LYS A 40 -5.250 -20.106 4.622 1.00 51.14 C ATOM 642 CD LYS A 40 -5.169 -20.547 3.148 1.00 22.32 C ATOM 643 CE LYS A 40 -4.515 -21.929 2.978 1.00 21.41 C ATOM 644 NZ LYS A 40 -5.313 -23.011 3.620 1.00 0.51 N ATOM 0 H LYS A 40 -3.818 -17.787 5.312 1.00 74.01 H new ATOM 0 HA LYS A 40 -5.607 -17.714 3.037 1.00 61.32 H new ATOM 0 HB2 LYS A 40 -6.144 -18.615 5.894 1.00 71.31 H new ATOM 0 HB3 LYS A 40 -7.098 -19.008 4.477 1.00 71.31 H new ATOM 0 HG2 LYS A 40 -4.242 -19.943 5.002 1.00 51.14 H new ATOM 0 HG3 LYS A 40 -5.687 -20.911 5.212 1.00 51.14 H new ATOM 0 HD2 LYS A 40 -6.173 -20.570 2.724 1.00 22.32 H new ATOM 0 HD3 LYS A 40 -4.601 -19.808 2.583 1.00 22.32 H new ATOM 0 HE2 LYS A 40 -4.399 -22.146 1.916 1.00 21.41 H new ATOM 0 HE3 LYS A 40 -3.515 -21.912 3.411 1.00 21.41 H new ATOM 0 HZ1 LYS A 40 -4.975 -23.936 3.287 1.00 0.51 H new ATOM 0 HZ2 LYS A 40 -5.206 -22.955 4.653 1.00 0.51 H new ATOM 0 HZ3 LYS A 40 -6.316 -22.898 3.369 1.00 0.51 H new ATOM 658 N ARG A 41 -6.237 -15.857 5.750 1.00 3.04 N ATOM 659 CA ARG A 41 -6.899 -14.632 6.268 1.00 5.34 C ATOM 660 C ARG A 41 -6.425 -13.401 5.486 1.00 51.14 C ATOM 661 O ARG A 41 -7.156 -12.417 5.337 1.00 20.03 O ATOM 662 CB ARG A 41 -6.574 -14.431 7.771 1.00 61.11 C ATOM 663 CG ARG A 41 -6.973 -15.601 8.692 1.00 42.43 C ATOM 664 CD ARG A 41 -6.537 -15.363 10.151 1.00 21.15 C ATOM 665 NE ARG A 41 -6.565 -16.595 10.959 1.00 10.22 N ATOM 666 CZ ARG A 41 -5.785 -16.824 12.033 1.00 5.50 C ATOM 667 NH1 ARG A 41 -4.915 -15.897 12.442 1.00 64.51 N ATOM 668 NH2 ARG A 41 -5.865 -17.978 12.687 1.00 51.34 N ATOM 0 H ARG A 41 -5.637 -16.316 6.435 1.00 3.04 H new ATOM 0 HA ARG A 41 -7.975 -14.752 6.145 1.00 5.34 H new ATOM 0 HB2 ARG A 41 -5.503 -14.257 7.874 1.00 61.11 H new ATOM 0 HB3 ARG A 41 -7.078 -13.529 8.118 1.00 61.11 H new ATOM 0 HG2 ARG A 41 -8.054 -15.739 8.655 1.00 42.43 H new ATOM 0 HG3 ARG A 41 -6.521 -16.522 8.324 1.00 42.43 H new ATOM 0 HD2 ARG A 41 -5.529 -14.949 10.162 1.00 21.15 H new ATOM 0 HD3 ARG A 41 -7.192 -14.620 10.605 1.00 21.15 H new ATOM 0 HE ARG A 41 -7.222 -17.326 10.686 1.00 10.22 H new ATOM 0 HH11 ARG A 41 -4.840 -15.012 11.941 1.00 64.51 H new ATOM 0 HH12 ARG A 41 -4.326 -16.074 13.256 1.00 64.51 H new ATOM 0 HH21 ARG A 41 -6.520 -18.696 12.376 1.00 51.34 H new ATOM 0 HH22 ARG A 41 -5.272 -18.146 13.500 1.00 51.34 H new ATOM 682 N LEU A 42 -5.177 -13.499 5.011 1.00 73.24 N ATOM 683 CA LEU A 42 -4.523 -12.500 4.166 1.00 71.01 C ATOM 684 C LEU A 42 -5.286 -12.324 2.842 1.00 22.43 C ATOM 685 O LEU A 42 -5.474 -11.194 2.402 1.00 51.20 O ATOM 686 CB LEU A 42 -3.054 -12.967 3.952 1.00 75.41 C ATOM 687 CG LEU A 42 -2.084 -12.170 3.009 1.00 32.32 C ATOM 688 CD1 LEU A 42 -0.636 -12.579 3.307 1.00 52.13 C ATOM 689 CD2 LEU A 42 -2.367 -12.386 1.500 1.00 14.12 C ATOM 0 H LEU A 42 -4.579 -14.301 5.212 1.00 73.24 H new ATOM 0 HA LEU A 42 -4.524 -11.519 4.641 1.00 71.01 H new ATOM 0 HB2 LEU A 42 -2.584 -13.006 4.935 1.00 75.41 H new ATOM 0 HB3 LEU A 42 -3.095 -13.990 3.578 1.00 75.41 H new ATOM 0 HG LEU A 42 -2.250 -11.113 3.215 1.00 32.32 H new ATOM 0 HD11 LEU A 42 0.040 -12.027 2.654 1.00 52.13 H new ATOM 0 HD12 LEU A 42 -0.401 -12.353 4.347 1.00 52.13 H new ATOM 0 HD13 LEU A 42 -0.517 -13.648 3.132 1.00 52.13 H new ATOM 0 HD21 LEU A 42 -1.658 -11.805 0.910 1.00 14.12 H new ATOM 0 HD22 LEU A 42 -2.260 -13.443 1.257 1.00 14.12 H new ATOM 0 HD23 LEU A 42 -3.382 -12.062 1.270 1.00 14.12 H new ATOM 701 N GLU A 43 -5.689 -13.453 2.202 1.00 24.42 N ATOM 702 CA GLU A 43 -6.415 -13.421 0.913 1.00 43.03 C ATOM 703 C GLU A 43 -7.778 -12.717 1.075 1.00 0.53 C ATOM 704 O GLU A 43 -8.221 -11.976 0.182 1.00 44.03 O ATOM 705 CB GLU A 43 -6.609 -14.852 0.333 1.00 72.34 C ATOM 706 CG GLU A 43 -7.258 -14.873 -1.068 1.00 51.23 C ATOM 707 CD GLU A 43 -7.612 -16.277 -1.569 1.00 33.22 C ATOM 708 OE1 GLU A 43 -8.723 -16.764 -1.264 1.00 74.13 O ATOM 709 OE2 GLU A 43 -6.798 -16.899 -2.282 1.00 70.31 O ATOM 0 H GLU A 43 -5.522 -14.393 2.560 1.00 24.42 H new ATOM 0 HA GLU A 43 -5.809 -12.854 0.207 1.00 43.03 H new ATOM 0 HB2 GLU A 43 -5.640 -15.348 0.282 1.00 72.34 H new ATOM 0 HB3 GLU A 43 -7.227 -15.431 1.019 1.00 72.34 H new ATOM 0 HG2 GLU A 43 -8.164 -14.267 -1.047 1.00 51.23 H new ATOM 0 HG3 GLU A 43 -6.578 -14.405 -1.780 1.00 51.23 H new ATOM 716 N GLU A 44 -8.409 -12.926 2.245 1.00 50.10 N ATOM 717 CA GLU A 44 -9.679 -12.267 2.597 1.00 62.30 C ATOM 718 C GLU A 44 -9.449 -10.768 2.809 1.00 63.13 C ATOM 719 O GLU A 44 -10.249 -9.940 2.369 1.00 73.24 O ATOM 720 CB GLU A 44 -10.275 -12.893 3.878 1.00 42.10 C ATOM 721 CG GLU A 44 -10.550 -14.403 3.795 1.00 75.24 C ATOM 722 CD GLU A 44 -11.045 -14.989 5.127 1.00 44.43 C ATOM 723 OE1 GLU A 44 -10.213 -15.242 6.022 1.00 52.21 O ATOM 724 OE2 GLU A 44 -12.270 -15.178 5.296 1.00 41.21 O ATOM 0 H GLU A 44 -8.055 -13.552 2.968 1.00 50.10 H new ATOM 0 HA GLU A 44 -10.384 -12.409 1.778 1.00 62.30 H new ATOM 0 HB2 GLU A 44 -9.591 -12.708 4.707 1.00 42.10 H new ATOM 0 HB3 GLU A 44 -11.208 -12.381 4.114 1.00 42.10 H new ATOM 0 HG2 GLU A 44 -11.294 -14.591 3.021 1.00 75.24 H new ATOM 0 HG3 GLU A 44 -9.638 -14.918 3.492 1.00 75.24 H new ATOM 731 N LYS A 45 -8.329 -10.443 3.489 1.00 74.14 N ATOM 732 CA LYS A 45 -7.900 -9.058 3.762 1.00 71.45 C ATOM 733 C LYS A 45 -7.680 -8.280 2.450 1.00 51.20 C ATOM 734 O LYS A 45 -8.034 -7.092 2.355 1.00 31.21 O ATOM 735 CB LYS A 45 -6.600 -9.057 4.629 1.00 53.31 C ATOM 736 CG LYS A 45 -6.011 -7.666 5.013 1.00 31.53 C ATOM 737 CD LYS A 45 -6.739 -6.942 6.173 1.00 64.20 C ATOM 738 CE LYS A 45 -8.096 -6.342 5.784 1.00 65.13 C ATOM 739 NZ LYS A 45 -8.773 -5.727 6.952 1.00 72.03 N ATOM 0 H LYS A 45 -7.692 -11.144 3.867 1.00 74.14 H new ATOM 0 HA LYS A 45 -8.691 -8.557 4.319 1.00 71.45 H new ATOM 0 HB2 LYS A 45 -6.805 -9.604 5.549 1.00 53.31 H new ATOM 0 HB3 LYS A 45 -5.833 -9.614 4.091 1.00 53.31 H new ATOM 0 HG2 LYS A 45 -4.964 -7.795 5.286 1.00 31.53 H new ATOM 0 HG3 LYS A 45 -6.034 -7.023 4.133 1.00 31.53 H new ATOM 0 HD2 LYS A 45 -6.887 -7.647 6.991 1.00 64.20 H new ATOM 0 HD3 LYS A 45 -6.097 -6.146 6.550 1.00 64.20 H new ATOM 0 HE2 LYS A 45 -7.954 -5.591 5.007 1.00 65.13 H new ATOM 0 HE3 LYS A 45 -8.732 -7.120 5.362 1.00 65.13 H new ATOM 0 HZ1 LYS A 45 -9.803 -5.762 6.814 1.00 72.03 H new ATOM 0 HZ2 LYS A 45 -8.521 -6.250 7.815 1.00 72.03 H new ATOM 0 HZ3 LYS A 45 -8.470 -4.737 7.047 1.00 72.03 H new ATOM 753 N ILE A 46 -7.111 -8.982 1.448 1.00 23.04 N ATOM 754 CA ILE A 46 -6.947 -8.461 0.084 1.00 14.40 C ATOM 755 C ILE A 46 -8.323 -8.008 -0.453 1.00 24.31 C ATOM 756 O ILE A 46 -8.487 -6.857 -0.839 1.00 51.15 O ATOM 757 CB ILE A 46 -6.281 -9.526 -0.896 1.00 35.31 C ATOM 758 CG1 ILE A 46 -4.797 -9.837 -0.480 1.00 10.42 C ATOM 759 CG2 ILE A 46 -6.349 -9.068 -2.376 1.00 42.01 C ATOM 760 CD1 ILE A 46 -4.060 -10.816 -1.389 1.00 20.25 C ATOM 0 H ILE A 46 -6.753 -9.929 1.568 1.00 23.04 H new ATOM 0 HA ILE A 46 -6.266 -7.611 0.124 1.00 14.40 H new ATOM 0 HB ILE A 46 -6.860 -10.445 -0.806 1.00 35.31 H new ATOM 0 HG12 ILE A 46 -4.240 -8.900 -0.454 1.00 10.42 H new ATOM 0 HG13 ILE A 46 -4.797 -10.237 0.534 1.00 10.42 H new ATOM 0 HG21 ILE A 46 -5.884 -9.822 -3.012 1.00 42.01 H new ATOM 0 HG22 ILE A 46 -7.391 -8.938 -2.669 1.00 42.01 H new ATOM 0 HG23 ILE A 46 -5.820 -8.122 -2.489 1.00 42.01 H new ATOM 0 HD11 ILE A 46 -3.046 -10.964 -1.018 1.00 20.25 H new ATOM 0 HD12 ILE A 46 -4.586 -11.771 -1.398 1.00 20.25 H new ATOM 0 HD13 ILE A 46 -4.021 -10.414 -2.401 1.00 20.25 H new ATOM 772 N GLN A 47 -9.327 -8.902 -0.357 1.00 64.44 N ATOM 773 CA GLN A 47 -10.688 -8.650 -0.898 1.00 71.34 C ATOM 774 C GLN A 47 -11.384 -7.472 -0.179 1.00 22.33 C ATOM 775 O GLN A 47 -12.116 -6.713 -0.813 1.00 50.31 O ATOM 776 CB GLN A 47 -11.585 -9.920 -0.773 1.00 53.01 C ATOM 777 CG GLN A 47 -10.988 -11.225 -1.343 1.00 15.13 C ATOM 778 CD GLN A 47 -10.496 -11.111 -2.784 1.00 71.42 C ATOM 779 OE1 GLN A 47 -11.253 -11.328 -3.727 1.00 52.22 O ATOM 780 NE2 GLN A 47 -9.220 -10.811 -2.951 1.00 42.04 N ATOM 0 H GLN A 47 -9.225 -9.812 0.092 1.00 64.44 H new ATOM 0 HA GLN A 47 -10.561 -8.394 -1.950 1.00 71.34 H new ATOM 0 HB2 GLN A 47 -11.814 -10.078 0.281 1.00 53.01 H new ATOM 0 HB3 GLN A 47 -12.531 -9.725 -1.278 1.00 53.01 H new ATOM 0 HG2 GLN A 47 -10.157 -11.538 -0.711 1.00 15.13 H new ATOM 0 HG3 GLN A 47 -11.742 -12.010 -1.289 1.00 15.13 H new ATOM 0 HE21 GLN A 47 -8.626 -10.638 -2.140 1.00 42.04 H new ATOM 0 HE22 GLN A 47 -8.829 -10.752 -3.891 1.00 42.04 H new ATOM 789 N LYS A 48 -11.149 -7.346 1.147 1.00 5.24 N ATOM 790 CA LYS A 48 -11.759 -6.282 1.983 1.00 73.13 C ATOM 791 C LYS A 48 -11.251 -4.889 1.558 1.00 23.34 C ATOM 792 O LYS A 48 -12.030 -3.932 1.437 1.00 25.13 O ATOM 793 CB LYS A 48 -11.443 -6.526 3.488 1.00 34.25 C ATOM 794 CG LYS A 48 -12.038 -7.820 4.080 1.00 40.02 C ATOM 795 CD LYS A 48 -13.581 -7.870 3.986 1.00 23.44 C ATOM 796 CE LYS A 48 -14.154 -9.185 4.534 1.00 65.05 C ATOM 797 NZ LYS A 48 -15.638 -9.258 4.393 1.00 63.30 N ATOM 0 H LYS A 48 -10.536 -7.974 1.667 1.00 5.24 H new ATOM 0 HA LYS A 48 -12.839 -6.316 1.837 1.00 73.13 H new ATOM 0 HB2 LYS A 48 -10.361 -6.550 3.617 1.00 34.25 H new ATOM 0 HB3 LYS A 48 -11.814 -5.678 4.063 1.00 34.25 H new ATOM 0 HG2 LYS A 48 -11.619 -8.679 3.557 1.00 40.02 H new ATOM 0 HG3 LYS A 48 -11.740 -7.907 5.125 1.00 40.02 H new ATOM 0 HD2 LYS A 48 -14.004 -7.032 4.540 1.00 23.44 H new ATOM 0 HD3 LYS A 48 -13.884 -7.749 2.946 1.00 23.44 H new ATOM 0 HE2 LYS A 48 -13.699 -10.024 4.008 1.00 65.05 H new ATOM 0 HE3 LYS A 48 -13.886 -9.285 5.586 1.00 65.05 H new ATOM 0 HZ1 LYS A 48 -15.979 -10.163 4.776 1.00 63.30 H new ATOM 0 HZ2 LYS A 48 -16.075 -8.473 4.917 1.00 63.30 H new ATOM 0 HZ3 LYS A 48 -15.895 -9.189 3.388 1.00 63.30 H new ATOM 811 N LEU A 49 -9.937 -4.807 1.333 1.00 4.55 N ATOM 812 CA LEU A 49 -9.264 -3.571 0.917 1.00 65.44 C ATOM 813 C LEU A 49 -9.571 -3.230 -0.561 1.00 54.32 C ATOM 814 O LEU A 49 -9.738 -2.061 -0.908 1.00 62.42 O ATOM 815 CB LEU A 49 -7.746 -3.714 1.171 1.00 73.41 C ATOM 816 CG LEU A 49 -7.317 -3.806 2.664 1.00 64.42 C ATOM 817 CD1 LEU A 49 -5.825 -4.199 2.803 1.00 63.44 C ATOM 818 CD2 LEU A 49 -7.623 -2.484 3.386 1.00 45.44 C ATOM 0 H LEU A 49 -9.305 -5.601 1.435 1.00 4.55 H new ATOM 0 HA LEU A 49 -9.643 -2.738 1.509 1.00 65.44 H new ATOM 0 HB2 LEU A 49 -7.393 -4.607 0.655 1.00 73.41 H new ATOM 0 HB3 LEU A 49 -7.239 -2.862 0.718 1.00 73.41 H new ATOM 0 HG LEU A 49 -7.897 -4.597 3.139 1.00 64.42 H new ATOM 0 HD11 LEU A 49 -5.560 -4.254 3.859 1.00 63.44 H new ATOM 0 HD12 LEU A 49 -5.660 -5.170 2.336 1.00 63.44 H new ATOM 0 HD13 LEU A 49 -5.204 -3.450 2.312 1.00 63.44 H new ATOM 0 HD21 LEU A 49 -7.319 -2.561 4.430 1.00 45.44 H new ATOM 0 HD22 LEU A 49 -7.075 -1.672 2.907 1.00 45.44 H new ATOM 0 HD23 LEU A 49 -8.693 -2.280 3.334 1.00 45.44 H new ATOM 830 N LYS A 50 -9.676 -4.258 -1.426 1.00 3.22 N ATOM 831 CA LYS A 50 -10.031 -4.063 -2.853 1.00 13.32 C ATOM 832 C LYS A 50 -11.504 -3.643 -2.997 1.00 34.01 C ATOM 833 O LYS A 50 -11.868 -2.946 -3.948 1.00 50.42 O ATOM 834 CB LYS A 50 -9.727 -5.344 -3.686 1.00 50.35 C ATOM 835 CG LYS A 50 -8.227 -5.738 -3.704 1.00 31.32 C ATOM 836 CD LYS A 50 -7.838 -6.678 -4.864 1.00 63.14 C ATOM 837 CE LYS A 50 -8.084 -6.027 -6.225 1.00 3.11 C ATOM 838 NZ LYS A 50 -7.591 -6.861 -7.355 1.00 54.24 N ATOM 0 H LYS A 50 -9.521 -5.232 -1.166 1.00 3.22 H new ATOM 0 HA LYS A 50 -9.412 -3.257 -3.248 1.00 13.32 H new ATOM 0 HB2 LYS A 50 -10.306 -6.174 -3.282 1.00 50.35 H new ATOM 0 HB3 LYS A 50 -10.064 -5.188 -4.711 1.00 50.35 H new ATOM 0 HG2 LYS A 50 -7.625 -4.832 -3.767 1.00 31.32 H new ATOM 0 HG3 LYS A 50 -7.978 -6.221 -2.759 1.00 31.32 H new ATOM 0 HD2 LYS A 50 -6.786 -6.950 -4.775 1.00 63.14 H new ATOM 0 HD3 LYS A 50 -8.413 -7.601 -4.793 1.00 63.14 H new ATOM 0 HE2 LYS A 50 -9.152 -5.847 -6.350 1.00 3.11 H new ATOM 0 HE3 LYS A 50 -7.591 -5.055 -6.253 1.00 3.11 H new ATOM 0 HZ1 LYS A 50 -8.280 -6.832 -8.134 1.00 54.24 H new ATOM 0 HZ2 LYS A 50 -6.677 -6.491 -7.687 1.00 54.24 H new ATOM 0 HZ3 LYS A 50 -7.471 -7.843 -7.035 1.00 54.24 H new ATOM 852 N SER A 51 -12.325 -4.073 -2.033 1.00 61.34 N ATOM 853 CA SER A 51 -13.713 -3.610 -1.883 1.00 40.13 C ATOM 854 C SER A 51 -13.776 -2.104 -1.532 1.00 21.20 C ATOM 855 O SER A 51 -14.722 -1.418 -1.914 1.00 42.44 O ATOM 856 CB SER A 51 -14.414 -4.449 -0.798 1.00 32.25 C ATOM 857 OG SER A 51 -15.755 -4.048 -0.606 1.00 74.51 O ATOM 0 H SER A 51 -12.045 -4.756 -1.329 1.00 61.34 H new ATOM 0 HA SER A 51 -14.227 -3.740 -2.835 1.00 40.13 H new ATOM 0 HB2 SER A 51 -14.387 -5.502 -1.079 1.00 32.25 H new ATOM 0 HB3 SER A 51 -13.869 -4.356 0.141 1.00 32.25 H new ATOM 0 HG SER A 51 -16.166 -4.604 0.088 1.00 74.51 H new ATOM 863 N GLN A 52 -12.763 -1.620 -0.784 1.00 43.42 N ATOM 864 CA GLN A 52 -12.615 -0.177 -0.462 1.00 21.31 C ATOM 865 C GLN A 52 -12.043 0.608 -1.667 1.00 45.11 C ATOM 866 O GLN A 52 -12.191 1.837 -1.737 1.00 12.54 O ATOM 867 CB GLN A 52 -11.729 0.008 0.795 1.00 2.34 C ATOM 868 CG GLN A 52 -12.276 -0.680 2.065 1.00 1.02 C ATOM 869 CD GLN A 52 -11.404 -0.480 3.316 1.00 0.12 C ATOM 870 OE1 GLN A 52 -10.091 -0.377 3.150 1.00 54.02 O flip ATOM 871 NE2 GLN A 52 -11.916 -0.440 4.434 1.00 20.31 N flip ATOM 0 H GLN A 52 -12.029 -2.208 -0.388 1.00 43.42 H new ATOM 0 HA GLN A 52 -13.604 0.228 -0.246 1.00 21.31 H new ATOM 0 HB2 GLN A 52 -10.734 -0.383 0.584 1.00 2.34 H new ATOM 0 HB3 GLN A 52 -11.617 1.074 0.993 1.00 2.34 H new ATOM 0 HG2 GLN A 52 -13.277 -0.299 2.269 1.00 1.02 H new ATOM 0 HG3 GLN A 52 -12.375 -1.748 1.872 1.00 1.02 H new ATOM 0 HE21 GLN A 52 -12.928 -0.521 4.535 1.00 20.31 H new ATOM 0 HE22 GLN A 52 -11.329 -0.325 5.260 1.00 20.31 H new ATOM 880 N GLY A 53 -11.386 -0.116 -2.598 1.00 31.12 N ATOM 881 CA GLY A 53 -10.914 0.460 -3.866 1.00 20.42 C ATOM 882 C GLY A 53 -9.394 0.537 -3.964 1.00 4.15 C ATOM 883 O GLY A 53 -8.845 1.496 -4.522 1.00 35.01 O ATOM 0 H GLY A 53 -11.171 -1.107 -2.489 1.00 31.12 H new ATOM 0 HA2 GLY A 53 -11.295 -0.139 -4.693 1.00 20.42 H new ATOM 0 HA3 GLY A 53 -11.330 1.461 -3.979 1.00 20.42 H new ATOM 887 N PHE A 54 -8.704 -0.477 -3.426 1.00 65.24 N ATOM 888 CA PHE A 54 -7.225 -0.565 -3.475 1.00 41.22 C ATOM 889 C PHE A 54 -6.789 -1.726 -4.372 1.00 54.22 C ATOM 890 O PHE A 54 -7.501 -2.728 -4.477 1.00 0.20 O ATOM 891 CB PHE A 54 -6.658 -0.754 -2.043 1.00 43.32 C ATOM 892 CG PHE A 54 -7.002 0.391 -1.087 1.00 62.44 C ATOM 893 CD1 PHE A 54 -6.472 1.659 -1.287 1.00 5.42 C ATOM 894 CD2 PHE A 54 -7.872 0.207 -0.011 1.00 44.43 C ATOM 895 CE1 PHE A 54 -6.796 2.705 -0.450 1.00 55.22 C ATOM 896 CE2 PHE A 54 -8.202 1.255 0.825 1.00 51.32 C ATOM 897 CZ PHE A 54 -7.662 2.501 0.609 1.00 13.34 C ATOM 0 H PHE A 54 -9.146 -1.260 -2.945 1.00 65.24 H new ATOM 0 HA PHE A 54 -6.833 0.362 -3.893 1.00 41.22 H new ATOM 0 HB2 PHE A 54 -7.042 -1.687 -1.630 1.00 43.32 H new ATOM 0 HB3 PHE A 54 -5.574 -0.853 -2.101 1.00 43.32 H new ATOM 0 HD1 PHE A 54 -5.795 1.828 -2.111 1.00 5.42 H new ATOM 0 HD2 PHE A 54 -8.294 -0.771 0.170 1.00 44.43 H new ATOM 0 HE1 PHE A 54 -6.374 3.684 -0.621 1.00 55.22 H new ATOM 0 HE2 PHE A 54 -8.883 1.096 1.648 1.00 51.32 H new ATOM 0 HZ PHE A 54 -7.914 3.320 1.266 1.00 13.34 H new ATOM 907 N GLU A 55 -5.619 -1.593 -5.024 1.00 55.20 N ATOM 908 CA GLU A 55 -5.021 -2.691 -5.803 1.00 2.15 C ATOM 909 C GLU A 55 -4.060 -3.469 -4.890 1.00 33.32 C ATOM 910 O GLU A 55 -2.866 -3.164 -4.787 1.00 32.34 O ATOM 911 CB GLU A 55 -4.321 -2.175 -7.097 1.00 62.12 C ATOM 912 CG GLU A 55 -3.848 -3.290 -8.055 1.00 10.40 C ATOM 913 CD GLU A 55 -4.971 -4.275 -8.447 1.00 50.31 C ATOM 914 OE1 GLU A 55 -5.756 -3.969 -9.366 1.00 3.00 O ATOM 915 OE2 GLU A 55 -5.075 -5.363 -7.837 1.00 14.34 O ATOM 0 H GLU A 55 -5.069 -0.734 -5.026 1.00 55.20 H new ATOM 0 HA GLU A 55 -5.808 -3.362 -6.148 1.00 2.15 H new ATOM 0 HB2 GLU A 55 -5.010 -1.521 -7.632 1.00 62.12 H new ATOM 0 HB3 GLU A 55 -3.461 -1.568 -6.813 1.00 62.12 H new ATOM 0 HG2 GLU A 55 -3.441 -2.835 -8.958 1.00 10.40 H new ATOM 0 HG3 GLU A 55 -3.036 -3.844 -7.584 1.00 10.40 H new ATOM 922 N VAL A 56 -4.627 -4.452 -4.181 1.00 30.44 N ATOM 923 CA VAL A 56 -3.918 -5.209 -3.142 1.00 32.54 C ATOM 924 C VAL A 56 -3.322 -6.485 -3.737 1.00 71.01 C ATOM 925 O VAL A 56 -4.008 -7.214 -4.457 1.00 11.35 O ATOM 926 CB VAL A 56 -4.866 -5.562 -1.946 1.00 53.54 C ATOM 927 CG1 VAL A 56 -4.085 -6.165 -0.753 1.00 32.52 C ATOM 928 CG2 VAL A 56 -5.663 -4.320 -1.526 1.00 5.34 C ATOM 0 H VAL A 56 -5.595 -4.746 -4.312 1.00 30.44 H new ATOM 0 HA VAL A 56 -3.113 -4.582 -2.758 1.00 32.54 H new ATOM 0 HB VAL A 56 -5.566 -6.328 -2.279 1.00 53.54 H new ATOM 0 HG11 VAL A 56 -4.778 -6.396 0.056 1.00 32.52 H new ATOM 0 HG12 VAL A 56 -3.582 -7.078 -1.072 1.00 32.52 H new ATOM 0 HG13 VAL A 56 -3.345 -5.446 -0.402 1.00 32.52 H new ATOM 0 HG21 VAL A 56 -6.320 -4.573 -0.694 1.00 5.34 H new ATOM 0 HG22 VAL A 56 -4.975 -3.533 -1.218 1.00 5.34 H new ATOM 0 HG23 VAL A 56 -6.261 -3.970 -2.367 1.00 5.34 H new ATOM 938 N ARG A 57 -2.046 -6.742 -3.419 1.00 51.04 N ATOM 939 CA ARG A 57 -1.270 -7.853 -3.979 1.00 42.21 C ATOM 940 C ARG A 57 -0.504 -8.576 -2.868 1.00 72.13 C ATOM 941 O ARG A 57 -0.076 -7.958 -1.885 1.00 51.01 O ATOM 942 CB ARG A 57 -0.297 -7.332 -5.077 1.00 52.20 C ATOM 943 CG ARG A 57 -1.006 -6.771 -6.331 1.00 41.45 C ATOM 944 CD ARG A 57 -1.808 -7.856 -7.088 1.00 61.04 C ATOM 945 NE ARG A 57 -2.762 -7.267 -8.045 1.00 23.41 N ATOM 946 CZ ARG A 57 -2.819 -7.514 -9.362 1.00 73.35 C ATOM 947 NH1 ARG A 57 -1.963 -8.346 -9.935 1.00 12.55 N ATOM 948 NH2 ARG A 57 -3.753 -6.940 -10.086 1.00 40.30 N ATOM 0 H ARG A 57 -1.518 -6.175 -2.756 1.00 51.04 H new ATOM 0 HA ARG A 57 -1.954 -8.565 -4.441 1.00 42.21 H new ATOM 0 HB2 ARG A 57 0.333 -6.552 -4.649 1.00 52.20 H new ATOM 0 HB3 ARG A 57 0.363 -8.145 -5.379 1.00 52.20 H new ATOM 0 HG2 ARG A 57 -1.678 -5.966 -6.035 1.00 41.45 H new ATOM 0 HG3 ARG A 57 -0.264 -6.337 -7.001 1.00 41.45 H new ATOM 0 HD2 ARG A 57 -1.119 -8.512 -7.620 1.00 61.04 H new ATOM 0 HD3 ARG A 57 -2.348 -8.475 -6.371 1.00 61.04 H new ATOM 0 HE ARG A 57 -3.444 -6.608 -7.670 1.00 23.41 H new ATOM 0 HH11 ARG A 57 -1.248 -8.809 -9.374 1.00 12.55 H new ATOM 0 HH12 ARG A 57 -2.019 -8.524 -10.938 1.00 12.55 H new ATOM 0 HH21 ARG A 57 -4.426 -6.313 -9.646 1.00 40.30 H new ATOM 0 HH22 ARG A 57 -3.805 -7.121 -11.088 1.00 40.30 H new ATOM 962 N LYS A 58 -0.346 -9.890 -3.050 1.00 40.52 N ATOM 963 CA LYS A 58 0.338 -10.775 -2.110 1.00 20.13 C ATOM 964 C LYS A 58 1.846 -10.825 -2.443 1.00 4.20 C ATOM 965 O LYS A 58 2.238 -11.026 -3.595 1.00 22.41 O ATOM 966 CB LYS A 58 -0.336 -12.181 -2.179 1.00 34.00 C ATOM 967 CG LYS A 58 0.459 -13.362 -1.584 1.00 74.22 C ATOM 968 CD LYS A 58 0.848 -13.168 -0.110 1.00 15.33 C ATOM 969 CE LYS A 58 1.687 -14.334 0.420 1.00 22.23 C ATOM 970 NZ LYS A 58 2.229 -14.048 1.768 1.00 45.32 N ATOM 0 H LYS A 58 -0.699 -10.376 -3.874 1.00 40.52 H new ATOM 0 HA LYS A 58 0.252 -10.405 -1.088 1.00 20.13 H new ATOM 0 HB2 LYS A 58 -1.295 -12.124 -1.665 1.00 34.00 H new ATOM 0 HB3 LYS A 58 -0.547 -12.406 -3.224 1.00 34.00 H new ATOM 0 HG2 LYS A 58 -0.135 -14.271 -1.677 1.00 74.22 H new ATOM 0 HG3 LYS A 58 1.364 -13.512 -2.172 1.00 74.22 H new ATOM 0 HD2 LYS A 58 1.409 -12.239 -0.002 1.00 15.33 H new ATOM 0 HD3 LYS A 58 -0.054 -13.067 0.493 1.00 15.33 H new ATOM 0 HE2 LYS A 58 1.075 -15.236 0.457 1.00 22.23 H new ATOM 0 HE3 LYS A 58 2.508 -14.534 -0.268 1.00 22.23 H new ATOM 0 HZ1 LYS A 58 2.538 -14.936 2.213 1.00 45.32 H new ATOM 0 HZ2 LYS A 58 3.039 -13.401 1.686 1.00 45.32 H new ATOM 0 HZ3 LYS A 58 1.491 -13.606 2.352 1.00 45.32 H new ATOM 984 N VAL A 59 2.678 -10.626 -1.409 1.00 23.53 N ATOM 985 CA VAL A 59 4.149 -10.676 -1.498 1.00 44.25 C ATOM 986 C VAL A 59 4.704 -11.607 -0.394 1.00 13.32 C ATOM 987 O VAL A 59 3.964 -12.022 0.508 1.00 30.42 O ATOM 988 CB VAL A 59 4.785 -9.241 -1.368 1.00 44.51 C ATOM 989 CG1 VAL A 59 4.499 -8.372 -2.619 1.00 24.30 C ATOM 990 CG2 VAL A 59 4.291 -8.547 -0.071 1.00 53.25 C ATOM 0 H VAL A 59 2.342 -10.422 -0.468 1.00 23.53 H new ATOM 0 HA VAL A 59 4.418 -11.069 -2.478 1.00 44.25 H new ATOM 0 HB VAL A 59 5.867 -9.357 -1.304 1.00 44.51 H new ATOM 0 HG11 VAL A 59 4.954 -7.390 -2.491 1.00 24.30 H new ATOM 0 HG12 VAL A 59 4.919 -8.855 -3.501 1.00 24.30 H new ATOM 0 HG13 VAL A 59 3.422 -8.260 -2.745 1.00 24.30 H new ATOM 0 HG21 VAL A 59 4.739 -7.556 0.005 1.00 53.25 H new ATOM 0 HG22 VAL A 59 3.205 -8.453 -0.099 1.00 53.25 H new ATOM 0 HG23 VAL A 59 4.581 -9.144 0.794 1.00 53.25 H new ATOM 1000 N LYS A 60 6.005 -11.943 -0.471 1.00 2.30 N ATOM 1001 CA LYS A 60 6.639 -12.884 0.474 1.00 75.24 C ATOM 1002 C LYS A 60 7.308 -12.144 1.650 1.00 12.05 C ATOM 1003 O LYS A 60 6.929 -12.350 2.806 1.00 20.43 O ATOM 1004 CB LYS A 60 7.663 -13.784 -0.271 1.00 13.53 C ATOM 1005 CG LYS A 60 7.072 -14.681 -1.401 1.00 73.34 C ATOM 1006 CD LYS A 60 6.483 -16.041 -0.929 1.00 64.11 C ATOM 1007 CE LYS A 60 5.175 -15.929 -0.128 1.00 21.01 C ATOM 1008 NZ LYS A 60 4.604 -17.271 0.175 1.00 73.12 N ATOM 0 H LYS A 60 6.640 -11.576 -1.180 1.00 2.30 H new ATOM 0 HA LYS A 60 5.858 -13.517 0.894 1.00 75.24 H new ATOM 0 HB2 LYS A 60 8.434 -13.146 -0.703 1.00 13.53 H new ATOM 0 HB3 LYS A 60 8.154 -14.427 0.460 1.00 13.53 H new ATOM 0 HG2 LYS A 60 6.289 -14.123 -1.913 1.00 73.34 H new ATOM 0 HG3 LYS A 60 7.855 -14.877 -2.134 1.00 73.34 H new ATOM 0 HD2 LYS A 60 6.306 -16.668 -1.803 1.00 64.11 H new ATOM 0 HD3 LYS A 60 7.226 -16.551 -0.316 1.00 64.11 H new ATOM 0 HE2 LYS A 60 5.362 -15.393 0.803 1.00 21.01 H new ATOM 0 HE3 LYS A 60 4.450 -15.343 -0.693 1.00 21.01 H new ATOM 0 HZ1 LYS A 60 3.917 -17.189 0.951 1.00 73.12 H new ATOM 0 HZ2 LYS A 60 4.128 -17.645 -0.671 1.00 73.12 H new ATOM 0 HZ3 LYS A 60 5.368 -17.918 0.456 1.00 73.12 H new ATOM 1022 N ASP A 61 8.306 -11.299 1.351 1.00 13.14 N ATOM 1023 CA ASP A 61 9.082 -10.554 2.372 1.00 40.44 C ATOM 1024 C ASP A 61 9.302 -9.098 1.925 1.00 24.32 C ATOM 1025 O ASP A 61 8.786 -8.679 0.878 1.00 30.30 O ATOM 1026 CB ASP A 61 10.457 -11.243 2.629 1.00 53.14 C ATOM 1027 CG ASP A 61 10.338 -12.656 3.223 1.00 63.42 C ATOM 1028 OD1 ASP A 61 9.867 -12.799 4.376 1.00 1.00 O ATOM 1029 OD2 ASP A 61 10.706 -13.639 2.536 1.00 20.10 O ATOM 0 H ASP A 61 8.604 -11.108 0.394 1.00 13.14 H new ATOM 0 HA ASP A 61 8.510 -10.556 3.300 1.00 40.44 H new ATOM 0 HB2 ASP A 61 11.007 -11.298 1.690 1.00 53.14 H new ATOM 0 HB3 ASP A 61 11.044 -10.622 3.306 1.00 53.14 H new ATOM 1034 N ASP A 62 10.083 -8.340 2.729 1.00 60.23 N ATOM 1035 CA ASP A 62 10.394 -6.913 2.473 1.00 0.14 C ATOM 1036 C ASP A 62 11.255 -6.732 1.204 1.00 61.25 C ATOM 1037 O ASP A 62 11.102 -5.738 0.503 1.00 43.44 O ATOM 1038 CB ASP A 62 11.099 -6.271 3.708 1.00 2.14 C ATOM 1039 CG ASP A 62 12.435 -6.950 4.056 1.00 72.02 C ATOM 1040 OD1 ASP A 62 12.413 -8.005 4.722 1.00 23.00 O ATOM 1041 OD2 ASP A 62 13.507 -6.449 3.646 1.00 54.42 O ATOM 0 H ASP A 62 10.518 -8.702 3.578 1.00 60.23 H new ATOM 0 HA ASP A 62 9.447 -6.400 2.304 1.00 0.14 H new ATOM 0 HB2 ASP A 62 11.276 -5.214 3.510 1.00 2.14 H new ATOM 0 HB3 ASP A 62 10.434 -6.327 4.570 1.00 2.14 H new ATOM 1046 N ASP A 63 12.203 -7.663 0.966 1.00 75.31 N ATOM 1047 CA ASP A 63 13.009 -7.685 -0.287 1.00 60.34 C ATOM 1048 C ASP A 63 12.111 -7.825 -1.533 1.00 34.13 C ATOM 1049 O ASP A 63 12.359 -7.194 -2.574 1.00 60.03 O ATOM 1050 CB ASP A 63 14.080 -8.795 -0.243 1.00 62.11 C ATOM 1051 CG ASP A 63 15.112 -8.653 -1.370 1.00 21.13 C ATOM 1052 OD1 ASP A 63 16.006 -7.787 -1.253 1.00 64.34 O ATOM 1053 OD2 ASP A 63 15.009 -9.358 -2.400 1.00 31.01 O ATOM 0 H ASP A 63 12.434 -8.411 1.620 1.00 75.31 H new ATOM 0 HA ASP A 63 13.525 -6.728 -0.361 1.00 60.34 H new ATOM 0 HB2 ASP A 63 14.590 -8.767 0.720 1.00 62.11 H new ATOM 0 HB3 ASP A 63 13.595 -9.768 -0.318 1.00 62.11 H new ATOM 1058 N ASP A 64 11.042 -8.613 -1.396 1.00 75.41 N ATOM 1059 CA ASP A 64 10.048 -8.812 -2.470 1.00 52.44 C ATOM 1060 C ASP A 64 9.247 -7.524 -2.698 1.00 21.24 C ATOM 1061 O ASP A 64 8.939 -7.184 -3.833 1.00 30.44 O ATOM 1062 CB ASP A 64 9.094 -9.978 -2.119 1.00 41.41 C ATOM 1063 CG ASP A 64 9.841 -11.300 -1.892 1.00 53.02 C ATOM 1064 OD1 ASP A 64 10.422 -11.480 -0.805 1.00 72.21 O ATOM 1065 OD2 ASP A 64 9.865 -12.159 -2.795 1.00 72.34 O ATOM 0 H ASP A 64 10.835 -9.133 -0.543 1.00 75.41 H new ATOM 0 HA ASP A 64 10.579 -9.064 -3.388 1.00 52.44 H new ATOM 0 HB2 ASP A 64 8.530 -9.724 -1.221 1.00 41.41 H new ATOM 0 HB3 ASP A 64 8.371 -10.107 -2.924 1.00 41.41 H new ATOM 1070 N ILE A 65 8.927 -6.839 -1.591 1.00 23.33 N ATOM 1071 CA ILE A 65 8.254 -5.523 -1.590 1.00 20.11 C ATOM 1072 C ILE A 65 9.114 -4.472 -2.332 1.00 52.34 C ATOM 1073 O ILE A 65 8.636 -3.788 -3.227 1.00 70.11 O ATOM 1074 CB ILE A 65 7.964 -5.064 -0.107 1.00 71.24 C ATOM 1075 CG1 ILE A 65 6.918 -6.020 0.553 1.00 43.04 C ATOM 1076 CG2 ILE A 65 7.519 -3.578 -0.024 1.00 11.13 C ATOM 1077 CD1 ILE A 65 6.693 -5.803 2.034 1.00 4.14 C ATOM 0 H ILE A 65 9.130 -7.186 -0.653 1.00 23.33 H new ATOM 0 HA ILE A 65 7.304 -5.614 -2.117 1.00 20.11 H new ATOM 0 HB ILE A 65 8.897 -5.130 0.453 1.00 71.24 H new ATOM 0 HG12 ILE A 65 5.966 -5.903 0.036 1.00 43.04 H new ATOM 0 HG13 ILE A 65 7.241 -7.049 0.398 1.00 43.04 H new ATOM 0 HG21 ILE A 65 7.332 -3.312 1.016 1.00 11.13 H new ATOM 0 HG22 ILE A 65 8.306 -2.940 -0.426 1.00 11.13 H new ATOM 0 HG23 ILE A 65 6.607 -3.438 -0.604 1.00 11.13 H new ATOM 0 HD11 ILE A 65 5.951 -6.514 2.397 1.00 4.14 H new ATOM 0 HD12 ILE A 65 7.631 -5.951 2.570 1.00 4.14 H new ATOM 0 HD13 ILE A 65 6.335 -4.787 2.203 1.00 4.14 H new ATOM 1089 N ASP A 66 10.394 -4.405 -1.958 1.00 12.43 N ATOM 1090 CA ASP A 66 11.377 -3.461 -2.517 1.00 31.22 C ATOM 1091 C ASP A 66 11.474 -3.589 -4.056 1.00 14.44 C ATOM 1092 O ASP A 66 11.364 -2.595 -4.791 1.00 54.51 O ATOM 1093 CB ASP A 66 12.743 -3.732 -1.825 1.00 72.14 C ATOM 1094 CG ASP A 66 13.876 -2.838 -2.333 1.00 55.42 C ATOM 1095 OD1 ASP A 66 14.002 -1.685 -1.869 1.00 41.12 O ATOM 1096 OD2 ASP A 66 14.640 -3.279 -3.204 1.00 21.14 O ATOM 0 H ASP A 66 10.789 -5.016 -1.243 1.00 12.43 H new ATOM 0 HA ASP A 66 11.064 -2.435 -2.323 1.00 31.22 H new ATOM 0 HB2 ASP A 66 12.631 -3.587 -0.750 1.00 72.14 H new ATOM 0 HB3 ASP A 66 13.018 -4.775 -1.979 1.00 72.14 H new ATOM 1101 N LYS A 67 11.640 -4.837 -4.516 1.00 54.35 N ATOM 1102 CA LYS A 67 11.713 -5.167 -5.957 1.00 40.14 C ATOM 1103 C LYS A 67 10.325 -5.080 -6.638 1.00 15.32 C ATOM 1104 O LYS A 67 10.245 -4.949 -7.864 1.00 74.22 O ATOM 1105 CB LYS A 67 12.383 -6.571 -6.168 1.00 52.14 C ATOM 1106 CG LYS A 67 13.854 -6.534 -6.664 1.00 0.53 C ATOM 1107 CD LYS A 67 14.826 -5.801 -5.710 1.00 3.31 C ATOM 1108 CE LYS A 67 14.928 -6.455 -4.321 1.00 40.52 C ATOM 1109 NZ LYS A 67 15.966 -5.820 -3.458 1.00 20.43 N ATOM 0 H LYS A 67 11.728 -5.649 -3.905 1.00 54.35 H new ATOM 0 HA LYS A 67 12.343 -4.421 -6.442 1.00 40.14 H new ATOM 0 HB2 LYS A 67 12.348 -7.118 -5.226 1.00 52.14 H new ATOM 0 HB3 LYS A 67 11.788 -7.135 -6.886 1.00 52.14 H new ATOM 0 HG2 LYS A 67 14.204 -7.557 -6.806 1.00 0.53 H new ATOM 0 HG3 LYS A 67 13.885 -6.049 -7.639 1.00 0.53 H new ATOM 0 HD2 LYS A 67 15.817 -5.773 -6.164 1.00 3.31 H new ATOM 0 HD3 LYS A 67 14.499 -4.768 -5.594 1.00 3.31 H new ATOM 0 HE2 LYS A 67 13.960 -6.393 -3.823 1.00 40.52 H new ATOM 0 HE3 LYS A 67 15.158 -7.514 -4.439 1.00 40.52 H new ATOM 0 HZ1 LYS A 67 16.087 -6.381 -2.591 1.00 20.43 H new ATOM 0 HZ2 LYS A 67 16.869 -5.780 -3.973 1.00 20.43 H new ATOM 0 HZ3 LYS A 67 15.667 -4.856 -3.208 1.00 20.43 H new ATOM 1123 N TRP A 68 9.243 -5.172 -5.841 1.00 70.33 N ATOM 1124 CA TRP A 68 7.862 -4.990 -6.342 1.00 44.43 C ATOM 1125 C TRP A 68 7.628 -3.522 -6.745 1.00 62.54 C ATOM 1126 O TRP A 68 6.950 -3.244 -7.731 1.00 33.44 O ATOM 1127 CB TRP A 68 6.820 -5.452 -5.287 1.00 13.12 C ATOM 1128 CG TRP A 68 5.427 -5.659 -5.830 1.00 21.34 C ATOM 1129 CD1 TRP A 68 4.904 -6.824 -6.325 1.00 44.33 C ATOM 1130 CD2 TRP A 68 4.380 -4.682 -5.927 1.00 42.23 C ATOM 1131 NE1 TRP A 68 3.608 -6.632 -6.712 1.00 63.01 N ATOM 1132 CE2 TRP A 68 3.265 -5.330 -6.483 1.00 65.41 C ATOM 1133 CE3 TRP A 68 4.278 -3.325 -5.595 1.00 71.14 C ATOM 1134 CZ2 TRP A 68 2.067 -4.672 -6.712 1.00 1.15 C ATOM 1135 CZ3 TRP A 68 3.088 -2.678 -5.822 1.00 25.01 C ATOM 1136 CH2 TRP A 68 1.998 -3.353 -6.377 1.00 42.13 C ATOM 0 H TRP A 68 9.297 -5.372 -4.842 1.00 70.33 H new ATOM 0 HA TRP A 68 7.733 -5.613 -7.227 1.00 44.43 H new ATOM 0 HB2 TRP A 68 7.164 -6.385 -4.840 1.00 13.12 H new ATOM 0 HB3 TRP A 68 6.778 -4.712 -4.488 1.00 13.12 H new ATOM 0 HD1 TRP A 68 5.439 -7.759 -6.399 1.00 44.33 H new ATOM 0 HE1 TRP A 68 2.996 -7.345 -7.108 1.00 63.01 H new ATOM 0 HE3 TRP A 68 5.119 -2.798 -5.169 1.00 71.14 H new ATOM 0 HZ2 TRP A 68 1.219 -5.186 -7.140 1.00 1.15 H new ATOM 0 HZ3 TRP A 68 2.994 -1.633 -5.568 1.00 25.01 H new ATOM 0 HH2 TRP A 68 1.077 -2.815 -6.545 1.00 42.13 H new ATOM 1147 N ILE A 69 8.222 -2.595 -5.985 1.00 3.01 N ATOM 1148 CA ILE A 69 8.178 -1.154 -6.295 1.00 64.02 C ATOM 1149 C ILE A 69 9.005 -0.868 -7.572 1.00 1.31 C ATOM 1150 O ILE A 69 8.616 -0.042 -8.408 1.00 32.54 O ATOM 1151 CB ILE A 69 8.675 -0.288 -5.057 1.00 71.42 C ATOM 1152 CG1 ILE A 69 7.508 -0.047 -4.034 1.00 62.43 C ATOM 1153 CG2 ILE A 69 9.313 1.068 -5.477 1.00 50.45 C ATOM 1154 CD1 ILE A 69 6.897 -1.289 -3.389 1.00 71.14 C ATOM 0 H ILE A 69 8.746 -2.818 -5.139 1.00 3.01 H new ATOM 0 HA ILE A 69 7.146 -0.862 -6.488 1.00 64.02 H new ATOM 0 HB ILE A 69 9.459 -0.871 -4.575 1.00 71.42 H new ATOM 0 HG12 ILE A 69 7.879 0.601 -3.240 1.00 62.43 H new ATOM 0 HG13 ILE A 69 6.714 0.497 -4.545 1.00 62.43 H new ATOM 0 HG21 ILE A 69 9.631 1.611 -4.587 1.00 50.45 H new ATOM 0 HG22 ILE A 69 10.176 0.882 -6.117 1.00 50.45 H new ATOM 0 HG23 ILE A 69 8.579 1.662 -6.022 1.00 50.45 H new ATOM 0 HD11 ILE A 69 6.103 -0.990 -2.704 1.00 71.14 H new ATOM 0 HD12 ILE A 69 6.484 -1.935 -4.163 1.00 71.14 H new ATOM 0 HD13 ILE A 69 7.667 -1.829 -2.838 1.00 71.14 H new ATOM 1166 N ASP A 70 10.119 -1.602 -7.713 1.00 2.12 N ATOM 1167 CA ASP A 70 11.028 -1.490 -8.865 1.00 10.41 C ATOM 1168 C ASP A 70 10.331 -1.899 -10.179 1.00 4.03 C ATOM 1169 O ASP A 70 10.472 -1.211 -11.203 1.00 62.33 O ATOM 1170 CB ASP A 70 12.286 -2.356 -8.618 1.00 63.43 C ATOM 1171 CG ASP A 70 13.268 -2.392 -9.800 1.00 1.02 C ATOM 1172 OD1 ASP A 70 14.075 -1.455 -9.957 1.00 32.42 O ATOM 1173 OD2 ASP A 70 13.215 -3.352 -10.602 1.00 1.33 O ATOM 0 H ASP A 70 10.417 -2.295 -7.026 1.00 2.12 H new ATOM 0 HA ASP A 70 11.325 -0.446 -8.970 1.00 10.41 H new ATOM 0 HB2 ASP A 70 12.807 -1.977 -7.739 1.00 63.43 H new ATOM 0 HB3 ASP A 70 11.973 -3.375 -8.389 1.00 63.43 H new ATOM 1178 N LYS A 71 9.580 -3.020 -10.157 1.00 34.44 N ATOM 1179 CA LYS A 71 8.876 -3.518 -11.360 1.00 73.05 C ATOM 1180 C LYS A 71 7.683 -2.603 -11.722 1.00 42.13 C ATOM 1181 O LYS A 71 7.314 -2.521 -12.892 1.00 72.34 O ATOM 1182 CB LYS A 71 8.447 -5.009 -11.185 1.00 64.13 C ATOM 1183 CG LYS A 71 7.433 -5.272 -10.056 1.00 31.15 C ATOM 1184 CD LYS A 71 7.238 -6.777 -9.721 1.00 14.12 C ATOM 1185 CE LYS A 71 6.647 -7.589 -10.879 1.00 13.31 C ATOM 1186 NZ LYS A 71 6.488 -9.024 -10.526 1.00 31.44 N ATOM 0 H LYS A 71 9.445 -3.595 -9.325 1.00 34.44 H new ATOM 0 HA LYS A 71 9.570 -3.485 -12.200 1.00 73.05 H new ATOM 0 HB2 LYS A 71 8.020 -5.360 -12.124 1.00 64.13 H new ATOM 0 HB3 LYS A 71 9.339 -5.607 -10.997 1.00 64.13 H new ATOM 0 HG2 LYS A 71 7.761 -4.750 -9.157 1.00 31.15 H new ATOM 0 HG3 LYS A 71 6.471 -4.845 -10.339 1.00 31.15 H new ATOM 0 HD2 LYS A 71 8.200 -7.206 -9.440 1.00 14.12 H new ATOM 0 HD3 LYS A 71 6.584 -6.866 -8.854 1.00 14.12 H new ATOM 0 HE2 LYS A 71 5.678 -7.174 -11.156 1.00 13.31 H new ATOM 0 HE3 LYS A 71 7.293 -7.499 -11.752 1.00 13.31 H new ATOM 0 HZ1 LYS A 71 6.086 -9.538 -11.336 1.00 31.44 H new ATOM 0 HZ2 LYS A 71 7.416 -9.427 -10.286 1.00 31.44 H new ATOM 0 HZ3 LYS A 71 5.851 -9.112 -9.709 1.00 31.44 H new ATOM 1200 N ILE A 72 7.128 -1.887 -10.718 1.00 32.41 N ATOM 1201 CA ILE A 72 6.089 -0.847 -10.943 1.00 65.42 C ATOM 1202 C ILE A 72 6.713 0.397 -11.612 1.00 1.30 C ATOM 1203 O ILE A 72 6.080 1.043 -12.451 1.00 3.43 O ATOM 1204 CB ILE A 72 5.360 -0.441 -9.598 1.00 24.42 C ATOM 1205 CG1 ILE A 72 4.570 -1.644 -8.995 1.00 4.22 C ATOM 1206 CG2 ILE A 72 4.421 0.774 -9.785 1.00 5.42 C ATOM 1207 CD1 ILE A 72 3.390 -2.132 -9.825 1.00 12.03 C ATOM 0 H ILE A 72 7.382 -2.009 -9.738 1.00 32.41 H new ATOM 0 HA ILE A 72 5.337 -1.272 -11.608 1.00 65.42 H new ATOM 0 HB ILE A 72 6.143 -0.151 -8.897 1.00 24.42 H new ATOM 0 HG12 ILE A 72 5.260 -2.475 -8.852 1.00 4.22 H new ATOM 0 HG13 ILE A 72 4.205 -1.359 -8.008 1.00 4.22 H new ATOM 0 HG21 ILE A 72 3.944 1.015 -8.835 1.00 5.42 H new ATOM 0 HG22 ILE A 72 5.000 1.632 -10.128 1.00 5.42 H new ATOM 0 HG23 ILE A 72 3.657 0.533 -10.524 1.00 5.42 H new ATOM 0 HD11 ILE A 72 2.910 -2.969 -9.318 1.00 12.03 H new ATOM 0 HD12 ILE A 72 2.671 -1.322 -9.947 1.00 12.03 H new ATOM 0 HD13 ILE A 72 3.743 -2.455 -10.804 1.00 12.03 H new ATOM 1219 N LYS A 73 7.965 0.716 -11.241 1.00 74.12 N ATOM 1220 CA LYS A 73 8.741 1.800 -11.883 1.00 2.33 C ATOM 1221 C LYS A 73 9.049 1.468 -13.356 1.00 41.22 C ATOM 1222 O LYS A 73 9.284 2.378 -14.162 1.00 53.12 O ATOM 1223 CB LYS A 73 10.057 2.065 -11.088 1.00 23.42 C ATOM 1224 CG LYS A 73 9.896 2.772 -9.711 1.00 24.31 C ATOM 1225 CD LYS A 73 9.975 4.323 -9.775 1.00 50.40 C ATOM 1226 CE LYS A 73 8.859 4.979 -10.605 1.00 52.54 C ATOM 1227 NZ LYS A 73 9.019 6.457 -10.707 1.00 73.54 N ATOM 0 H LYS A 73 8.467 0.236 -10.494 1.00 74.12 H new ATOM 0 HA LYS A 73 8.136 2.707 -11.869 1.00 2.33 H new ATOM 0 HB2 LYS A 73 10.558 1.111 -10.927 1.00 23.42 H new ATOM 0 HB3 LYS A 73 10.717 2.671 -11.709 1.00 23.42 H new ATOM 0 HG2 LYS A 73 8.937 2.486 -9.279 1.00 24.31 H new ATOM 0 HG3 LYS A 73 10.671 2.408 -9.036 1.00 24.31 H new ATOM 0 HD2 LYS A 73 9.938 4.719 -8.760 1.00 50.40 H new ATOM 0 HD3 LYS A 73 10.940 4.609 -10.194 1.00 50.40 H new ATOM 0 HE2 LYS A 73 8.853 4.547 -11.606 1.00 52.54 H new ATOM 0 HE3 LYS A 73 7.893 4.751 -10.154 1.00 52.54 H new ATOM 0 HZ1 LYS A 73 8.086 6.899 -10.830 1.00 73.54 H new ATOM 0 HZ2 LYS A 73 9.462 6.819 -9.838 1.00 73.54 H new ATOM 0 HZ3 LYS A 73 9.621 6.685 -11.524 1.00 73.54 H new ATOM 1241 N LYS A 74 9.058 0.165 -13.696 1.00 5.52 N ATOM 1242 CA LYS A 74 9.256 -0.298 -15.080 1.00 61.32 C ATOM 1243 C LYS A 74 7.924 -0.252 -15.868 1.00 33.21 C ATOM 1244 O LYS A 74 7.909 0.154 -17.034 1.00 23.53 O ATOM 1245 CB LYS A 74 9.860 -1.730 -15.082 1.00 12.13 C ATOM 1246 CG LYS A 74 10.146 -2.298 -16.490 1.00 50.40 C ATOM 1247 CD LYS A 74 10.805 -3.691 -16.463 1.00 40.14 C ATOM 1248 CE LYS A 74 12.198 -3.681 -15.825 1.00 43.14 C ATOM 1249 NZ LYS A 74 12.784 -5.048 -15.769 1.00 42.01 N ATOM 0 H LYS A 74 8.929 -0.591 -13.023 1.00 5.52 H new ATOM 0 HA LYS A 74 9.958 0.371 -15.578 1.00 61.32 H new ATOM 0 HB2 LYS A 74 10.789 -1.721 -14.511 1.00 12.13 H new ATOM 0 HB3 LYS A 74 9.175 -2.401 -14.565 1.00 12.13 H new ATOM 0 HG2 LYS A 74 9.211 -2.357 -17.047 1.00 50.40 H new ATOM 0 HG3 LYS A 74 10.795 -1.607 -17.028 1.00 50.40 H new ATOM 0 HD2 LYS A 74 10.164 -4.380 -15.913 1.00 40.14 H new ATOM 0 HD3 LYS A 74 10.881 -4.071 -17.482 1.00 40.14 H new ATOM 0 HE2 LYS A 74 12.856 -3.026 -16.396 1.00 43.14 H new ATOM 0 HE3 LYS A 74 12.135 -3.270 -14.817 1.00 43.14 H new ATOM 0 HZ1 LYS A 74 13.727 -5.004 -15.332 1.00 42.01 H new ATOM 0 HZ2 LYS A 74 12.168 -5.667 -15.204 1.00 42.01 H new ATOM 0 HZ3 LYS A 74 12.867 -5.430 -16.733 1.00 42.01 H new ATOM 1263 N GLU A 75 6.817 -0.666 -15.218 1.00 34.43 N ATOM 1264 CA GLU A 75 5.466 -0.673 -15.840 1.00 73.35 C ATOM 1265 C GLU A 75 4.984 0.755 -16.135 1.00 52.43 C ATOM 1266 O GLU A 75 4.526 1.063 -17.242 1.00 14.03 O ATOM 1267 CB GLU A 75 4.433 -1.383 -14.915 1.00 22.31 C ATOM 1268 CG GLU A 75 4.716 -2.866 -14.635 1.00 51.32 C ATOM 1269 CD GLU A 75 4.709 -3.753 -15.893 1.00 52.55 C ATOM 1270 OE1 GLU A 75 5.746 -3.854 -16.578 1.00 31.14 O ATOM 1271 OE2 GLU A 75 3.660 -4.354 -16.205 1.00 14.33 O ATOM 0 H GLU A 75 6.828 -1.003 -14.255 1.00 34.43 H new ATOM 0 HA GLU A 75 5.545 -1.221 -16.779 1.00 73.35 H new ATOM 0 HB2 GLU A 75 4.395 -0.851 -13.964 1.00 22.31 H new ATOM 0 HB3 GLU A 75 3.445 -1.297 -15.368 1.00 22.31 H new ATOM 0 HG2 GLU A 75 5.686 -2.954 -14.146 1.00 51.32 H new ATOM 0 HG3 GLU A 75 3.971 -3.242 -13.934 1.00 51.32 H new ATOM 1278 N ARG A 76 5.083 1.601 -15.113 1.00 51.40 N ATOM 1279 CA ARG A 76 4.590 2.974 -15.132 1.00 54.42 C ATOM 1280 C ARG A 76 5.693 3.899 -14.557 1.00 53.23 C ATOM 1281 O ARG A 76 5.764 4.111 -13.345 1.00 53.55 O ATOM 1282 CB ARG A 76 3.270 3.063 -14.304 1.00 42.43 C ATOM 1283 CG ARG A 76 2.128 2.139 -14.794 1.00 3.43 C ATOM 1284 CD ARG A 76 0.896 2.145 -13.872 1.00 73.35 C ATOM 1285 NE ARG A 76 -0.157 1.259 -14.387 1.00 63.20 N ATOM 1286 CZ ARG A 76 -1.368 1.076 -13.838 1.00 34.54 C ATOM 1287 NH1 ARG A 76 -1.721 1.727 -12.734 1.00 44.33 N ATOM 1288 NH2 ARG A 76 -2.221 0.241 -14.411 1.00 41.34 N ATOM 0 H ARG A 76 5.519 1.344 -14.227 1.00 51.40 H new ATOM 0 HA ARG A 76 4.363 3.294 -16.149 1.00 54.42 H new ATOM 0 HB2 ARG A 76 3.493 2.820 -13.265 1.00 42.43 H new ATOM 0 HB3 ARG A 76 2.916 4.094 -14.322 1.00 42.43 H new ATOM 0 HG2 ARG A 76 1.825 2.448 -15.794 1.00 3.43 H new ATOM 0 HG3 ARG A 76 2.506 1.120 -14.876 1.00 3.43 H new ATOM 0 HD2 ARG A 76 1.186 1.826 -12.871 1.00 73.35 H new ATOM 0 HD3 ARG A 76 0.510 3.160 -13.783 1.00 73.35 H new ATOM 0 HE ARG A 76 0.051 0.736 -15.238 1.00 63.20 H new ATOM 0 HH11 ARG A 76 -1.068 2.375 -12.293 1.00 44.33 H new ATOM 0 HH12 ARG A 76 -2.645 1.578 -12.328 1.00 44.33 H new ATOM 0 HH21 ARG A 76 -1.955 -0.256 -15.261 1.00 41.34 H new ATOM 0 HH22 ARG A 76 -3.144 0.095 -14.002 1.00 41.34 H new ATOM 1302 N PRO A 77 6.634 4.396 -15.424 1.00 12.14 N ATOM 1303 CA PRO A 77 7.735 5.292 -14.993 1.00 31.12 C ATOM 1304 C PRO A 77 7.250 6.671 -14.476 1.00 45.23 C ATOM 1305 O PRO A 77 7.804 7.194 -13.509 1.00 52.53 O ATOM 1306 CB PRO A 77 8.604 5.451 -16.271 1.00 2.40 C ATOM 1307 CG PRO A 77 8.190 4.335 -17.179 1.00 74.34 C ATOM 1308 CD PRO A 77 6.734 4.079 -16.875 1.00 44.23 C ATOM 0 HA PRO A 77 8.274 4.870 -14.145 1.00 31.12 H new ATOM 0 HB2 PRO A 77 8.438 6.421 -16.740 1.00 2.40 H new ATOM 0 HB3 PRO A 77 9.666 5.390 -16.033 1.00 2.40 H new ATOM 0 HG2 PRO A 77 8.329 4.609 -18.225 1.00 74.34 H new ATOM 0 HG3 PRO A 77 8.790 3.442 -17.001 1.00 74.34 H new ATOM 0 HD2 PRO A 77 6.079 4.713 -17.473 1.00 44.23 H new ATOM 0 HD3 PRO A 77 6.454 3.046 -17.083 1.00 44.23 H new ATOM 1316 N GLN A 78 6.191 7.216 -15.116 1.00 34.21 N ATOM 1317 CA GLN A 78 5.755 8.628 -14.930 1.00 64.41 C ATOM 1318 C GLN A 78 5.126 8.907 -13.546 1.00 52.32 C ATOM 1319 O GLN A 78 4.878 10.072 -13.213 1.00 60.41 O ATOM 1320 CB GLN A 78 4.764 9.040 -16.054 1.00 62.51 C ATOM 1321 CG GLN A 78 5.324 8.917 -17.487 1.00 34.03 C ATOM 1322 CD GLN A 78 4.347 9.361 -18.592 1.00 64.42 C ATOM 1323 OE1 GLN A 78 4.763 9.864 -19.635 1.00 45.51 O ATOM 1324 NE2 GLN A 78 3.050 9.150 -18.389 1.00 54.52 N ATOM 0 H GLN A 78 5.613 6.695 -15.775 1.00 34.21 H new ATOM 0 HA GLN A 78 6.660 9.233 -14.987 1.00 64.41 H new ATOM 0 HB2 GLN A 78 3.869 8.423 -15.974 1.00 62.51 H new ATOM 0 HB3 GLN A 78 4.455 10.072 -15.887 1.00 62.51 H new ATOM 0 HG2 GLN A 78 6.233 9.514 -17.561 1.00 34.03 H new ATOM 0 HG3 GLN A 78 5.608 7.880 -17.665 1.00 34.03 H new ATOM 0 HE21 GLN A 78 2.732 8.731 -17.515 1.00 54.52 H new ATOM 0 HE22 GLN A 78 2.373 9.407 -19.107 1.00 54.52 H new ATOM 1333 N LEU A 79 4.852 7.850 -12.756 1.00 25.02 N ATOM 1334 CA LEU A 79 4.340 8.000 -11.379 1.00 4.40 C ATOM 1335 C LEU A 79 5.405 7.574 -10.368 1.00 30.53 C ATOM 1336 O LEU A 79 6.229 6.706 -10.663 1.00 51.00 O ATOM 1337 CB LEU A 79 2.983 7.242 -11.190 1.00 22.44 C ATOM 1338 CG LEU A 79 2.865 5.794 -11.789 1.00 42.03 C ATOM 1339 CD1 LEU A 79 3.710 4.752 -11.024 1.00 2.44 C ATOM 1340 CD2 LEU A 79 1.383 5.350 -11.886 1.00 12.13 C ATOM 0 H LEU A 79 4.977 6.881 -13.049 1.00 25.02 H new ATOM 0 HA LEU A 79 4.125 9.053 -11.196 1.00 4.40 H new ATOM 0 HB2 LEU A 79 2.780 7.180 -10.121 1.00 22.44 H new ATOM 0 HB3 LEU A 79 2.194 7.852 -11.630 1.00 22.44 H new ATOM 0 HG LEU A 79 3.278 5.843 -12.796 1.00 42.03 H new ATOM 0 HD11 LEU A 79 3.586 3.773 -11.486 1.00 2.44 H new ATOM 0 HD12 LEU A 79 4.761 5.039 -11.059 1.00 2.44 H new ATOM 0 HD13 LEU A 79 3.381 4.708 -9.986 1.00 2.44 H new ATOM 0 HD21 LEU A 79 1.331 4.345 -12.304 1.00 12.13 H new ATOM 0 HD22 LEU A 79 0.936 5.353 -10.892 1.00 12.13 H new ATOM 0 HD23 LEU A 79 0.838 6.039 -12.531 1.00 12.13 H new ATOM 1352 N GLU A 80 5.403 8.191 -9.180 1.00 3.24 N ATOM 1353 CA GLU A 80 6.403 7.912 -8.138 1.00 41.51 C ATOM 1354 C GLU A 80 5.824 7.011 -7.061 1.00 12.13 C ATOM 1355 O GLU A 80 4.695 7.207 -6.640 1.00 33.01 O ATOM 1356 CB GLU A 80 6.940 9.235 -7.539 1.00 64.15 C ATOM 1357 CG GLU A 80 7.529 10.198 -8.592 1.00 53.30 C ATOM 1358 CD GLU A 80 8.448 9.487 -9.610 1.00 64.51 C ATOM 1359 OE1 GLU A 80 9.422 8.813 -9.187 1.00 12.04 O ATOM 1360 OE2 GLU A 80 8.196 9.569 -10.832 1.00 14.35 O ATOM 0 H GLU A 80 4.713 8.894 -8.913 1.00 3.24 H new ATOM 0 HA GLU A 80 7.241 7.383 -8.593 1.00 41.51 H new ATOM 0 HB2 GLU A 80 6.131 9.739 -7.011 1.00 64.15 H new ATOM 0 HB3 GLU A 80 7.708 9.004 -6.801 1.00 64.15 H new ATOM 0 HG2 GLU A 80 6.714 10.687 -9.126 1.00 53.30 H new ATOM 0 HG3 GLU A 80 8.094 10.981 -8.085 1.00 53.30 H new ATOM 1367 N VAL A 81 6.621 6.029 -6.617 1.00 14.43 N ATOM 1368 CA VAL A 81 6.155 4.937 -5.760 1.00 74.23 C ATOM 1369 C VAL A 81 6.808 5.057 -4.362 1.00 45.13 C ATOM 1370 O VAL A 81 8.037 5.151 -4.260 1.00 73.11 O ATOM 1371 CB VAL A 81 6.512 3.536 -6.405 1.00 51.03 C ATOM 1372 CG1 VAL A 81 5.651 2.419 -5.805 1.00 2.15 C ATOM 1373 CG2 VAL A 81 6.405 3.553 -7.955 1.00 34.03 C ATOM 0 H VAL A 81 7.613 5.972 -6.846 1.00 14.43 H new ATOM 0 HA VAL A 81 5.072 5.006 -5.660 1.00 74.23 H new ATOM 0 HB VAL A 81 7.555 3.332 -6.163 1.00 51.03 H new ATOM 0 HG11 VAL A 81 5.917 1.468 -6.266 1.00 2.15 H new ATOM 0 HG12 VAL A 81 5.825 2.363 -4.730 1.00 2.15 H new ATOM 0 HG13 VAL A 81 4.598 2.631 -5.992 1.00 2.15 H new ATOM 0 HG21 VAL A 81 6.660 2.569 -8.348 1.00 34.03 H new ATOM 0 HG22 VAL A 81 5.386 3.808 -8.247 1.00 34.03 H new ATOM 0 HG23 VAL A 81 7.094 4.295 -8.359 1.00 34.03 H new ATOM 1383 N ARG A 82 5.984 5.071 -3.298 1.00 71.34 N ATOM 1384 CA ARG A 82 6.460 5.111 -1.895 1.00 55.43 C ATOM 1385 C ARG A 82 6.186 3.779 -1.199 1.00 54.03 C ATOM 1386 O ARG A 82 5.141 3.169 -1.432 1.00 11.01 O ATOM 1387 CB ARG A 82 5.776 6.250 -1.087 1.00 42.55 C ATOM 1388 CG ARG A 82 6.086 7.692 -1.541 1.00 54.13 C ATOM 1389 CD ARG A 82 7.562 8.117 -1.365 1.00 40.24 C ATOM 1390 NE ARG A 82 8.474 7.408 -2.277 1.00 74.21 N ATOM 1391 CZ ARG A 82 9.810 7.309 -2.132 1.00 30.32 C ATOM 1392 NH1 ARG A 82 10.428 7.872 -1.095 1.00 31.51 N ATOM 1393 NH2 ARG A 82 10.511 6.614 -3.010 1.00 24.52 N ATOM 0 H ARG A 82 4.968 5.055 -3.383 1.00 71.34 H new ATOM 0 HA ARG A 82 7.533 5.301 -1.928 1.00 55.43 H new ATOM 0 HB2 ARG A 82 4.697 6.101 -1.133 1.00 42.55 H new ATOM 0 HB3 ARG A 82 6.068 6.150 -0.041 1.00 42.55 H new ATOM 0 HG2 ARG A 82 5.814 7.795 -2.592 1.00 54.13 H new ATOM 0 HG3 ARG A 82 5.454 8.380 -0.980 1.00 54.13 H new ATOM 0 HD2 ARG A 82 7.649 9.190 -1.534 1.00 40.24 H new ATOM 0 HD3 ARG A 82 7.868 7.931 -0.336 1.00 40.24 H new ATOM 0 HE ARG A 82 8.059 6.952 -3.089 1.00 74.21 H new ATOM 0 HH11 ARG A 82 9.889 8.386 -0.398 1.00 31.51 H new ATOM 0 HH12 ARG A 82 11.440 7.789 -0.998 1.00 31.51 H new ATOM 0 HH21 ARG A 82 10.041 6.157 -3.791 1.00 24.52 H new ATOM 0 HH22 ARG A 82 11.523 6.535 -2.907 1.00 24.52 H new ATOM 1407 N LYS A 83 7.130 3.338 -0.359 1.00 3.15 N ATOM 1408 CA LYS A 83 6.929 2.198 0.543 1.00 4.53 C ATOM 1409 C LYS A 83 6.580 2.740 1.926 1.00 72.04 C ATOM 1410 O LYS A 83 7.390 3.433 2.553 1.00 40.13 O ATOM 1411 CB LYS A 83 8.186 1.299 0.627 1.00 64.41 C ATOM 1412 CG LYS A 83 8.654 0.751 -0.729 1.00 45.50 C ATOM 1413 CD LYS A 83 9.743 -0.331 -0.605 1.00 74.45 C ATOM 1414 CE LYS A 83 10.954 0.137 0.213 1.00 0.20 C ATOM 1415 NZ LYS A 83 12.114 -0.788 0.076 1.00 43.33 N ATOM 0 H LYS A 83 8.055 3.762 -0.286 1.00 3.15 H new ATOM 0 HA LYS A 83 6.120 1.579 0.155 1.00 4.53 H new ATOM 0 HB2 LYS A 83 8.999 1.869 1.077 1.00 64.41 H new ATOM 0 HB3 LYS A 83 7.977 0.462 1.293 1.00 64.41 H new ATOM 0 HG2 LYS A 83 7.798 0.336 -1.260 1.00 45.50 H new ATOM 0 HG3 LYS A 83 9.036 1.574 -1.333 1.00 45.50 H new ATOM 0 HD2 LYS A 83 9.316 -1.219 -0.138 1.00 74.45 H new ATOM 0 HD3 LYS A 83 10.074 -0.623 -1.602 1.00 74.45 H new ATOM 0 HE2 LYS A 83 11.247 1.135 -0.112 1.00 0.20 H new ATOM 0 HE3 LYS A 83 10.674 0.213 1.264 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 12.860 -0.511 0.746 1.00 43.33 H new ATOM 0 HZ2 LYS A 83 11.808 -1.761 0.281 1.00 43.33 H new ATOM 0 HZ3 LYS A 83 12.485 -0.739 -0.894 1.00 43.33 H new ATOM 1429 N VAL A 84 5.364 2.460 2.363 1.00 30.13 N ATOM 1430 CA VAL A 84 4.841 2.908 3.655 1.00 54.02 C ATOM 1431 C VAL A 84 4.582 1.671 4.531 1.00 52.15 C ATOM 1432 O VAL A 84 3.506 1.073 4.501 1.00 54.31 O ATOM 1433 CB VAL A 84 3.543 3.775 3.431 1.00 22.35 C ATOM 1434 CG1 VAL A 84 2.840 4.120 4.755 1.00 11.12 C ATOM 1435 CG2 VAL A 84 3.872 5.058 2.607 1.00 60.11 C ATOM 0 H VAL A 84 4.697 1.906 1.826 1.00 30.13 H new ATOM 0 HA VAL A 84 5.560 3.544 4.171 1.00 54.02 H new ATOM 0 HB VAL A 84 2.842 3.171 2.855 1.00 22.35 H new ATOM 0 HG11 VAL A 84 1.952 4.718 4.550 1.00 11.12 H new ATOM 0 HG12 VAL A 84 2.549 3.200 5.263 1.00 11.12 H new ATOM 0 HG13 VAL A 84 3.520 4.687 5.391 1.00 11.12 H new ATOM 0 HG21 VAL A 84 2.963 5.642 2.464 1.00 60.11 H new ATOM 0 HG22 VAL A 84 4.607 5.657 3.145 1.00 60.11 H new ATOM 0 HG23 VAL A 84 4.277 4.773 1.636 1.00 60.11 H new ATOM 1445 N THR A 85 5.604 1.287 5.304 1.00 21.01 N ATOM 1446 CA THR A 85 5.612 0.031 6.070 1.00 41.21 C ATOM 1447 C THR A 85 4.859 0.166 7.401 1.00 73.13 C ATOM 1448 O THR A 85 4.438 -0.838 7.991 1.00 53.54 O ATOM 1449 CB THR A 85 7.067 -0.426 6.345 1.00 2.22 C ATOM 1450 OG1 THR A 85 7.752 0.576 7.106 1.00 24.24 O ATOM 1451 CG2 THR A 85 7.840 -0.693 5.037 1.00 21.03 C ATOM 0 H THR A 85 6.454 1.840 5.418 1.00 21.01 H new ATOM 0 HA THR A 85 5.100 -0.717 5.464 1.00 41.21 H new ATOM 0 HB THR A 85 7.021 -1.359 6.906 1.00 2.22 H new ATOM 0 HG1 THR A 85 7.506 1.464 6.773 1.00 24.24 H new ATOM 0 HG21 THR A 85 8.855 -1.011 5.273 1.00 21.03 H new ATOM 0 HG22 THR A 85 7.337 -1.476 4.470 1.00 21.03 H new ATOM 0 HG23 THR A 85 7.875 0.220 4.442 1.00 21.03 H new ATOM 1459 N ASP A 86 4.720 1.413 7.866 1.00 44.22 N ATOM 1460 CA ASP A 86 4.040 1.739 9.127 1.00 33.44 C ATOM 1461 C ASP A 86 3.129 2.964 8.964 1.00 23.35 C ATOM 1462 O ASP A 86 3.281 3.769 8.027 1.00 42.52 O ATOM 1463 CB ASP A 86 5.064 1.964 10.277 1.00 23.14 C ATOM 1464 CG ASP A 86 6.102 3.054 9.966 1.00 64.25 C ATOM 1465 OD1 ASP A 86 5.793 4.250 10.117 1.00 25.41 O ATOM 1466 OD2 ASP A 86 7.228 2.710 9.544 1.00 43.53 O ATOM 0 H ASP A 86 5.079 2.231 7.374 1.00 44.22 H new ATOM 0 HA ASP A 86 3.416 0.886 9.394 1.00 33.44 H new ATOM 0 HB2 ASP A 86 4.525 2.234 11.185 1.00 23.14 H new ATOM 0 HB3 ASP A 86 5.582 1.027 10.481 1.00 23.14 H new ATOM 1471 N GLU A 87 2.186 3.067 9.908 1.00 53.43 N ATOM 1472 CA GLU A 87 1.169 4.126 9.973 1.00 53.05 C ATOM 1473 C GLU A 87 1.774 5.546 10.012 1.00 1.14 C ATOM 1474 O GLU A 87 1.197 6.464 9.430 1.00 73.33 O ATOM 1475 CB GLU A 87 0.247 3.883 11.205 1.00 24.15 C ATOM 1476 CG GLU A 87 0.888 4.112 12.596 1.00 62.51 C ATOM 1477 CD GLU A 87 2.168 3.286 12.864 1.00 33.01 C ATOM 1478 OE1 GLU A 87 2.107 2.036 12.804 1.00 24.31 O ATOM 1479 OE2 GLU A 87 3.242 3.876 13.109 1.00 34.14 O ATOM 0 H GLU A 87 2.106 2.396 10.672 1.00 53.43 H new ATOM 0 HA GLU A 87 0.584 4.075 9.055 1.00 53.05 H new ATOM 0 HB2 GLU A 87 -0.622 4.536 11.117 1.00 24.15 H new ATOM 0 HB3 GLU A 87 -0.119 2.857 11.161 1.00 24.15 H new ATOM 0 HG2 GLU A 87 1.127 5.170 12.701 1.00 62.51 H new ATOM 0 HG3 GLU A 87 0.152 3.874 13.364 1.00 62.51 H new ATOM 1486 N ASP A 88 2.934 5.709 10.676 1.00 64.43 N ATOM 1487 CA ASP A 88 3.590 7.024 10.861 1.00 10.02 C ATOM 1488 C ASP A 88 4.053 7.617 9.518 1.00 24.22 C ATOM 1489 O ASP A 88 4.000 8.838 9.322 1.00 11.04 O ATOM 1490 CB ASP A 88 4.776 6.895 11.858 1.00 42.22 C ATOM 1491 CG ASP A 88 5.453 8.235 12.171 1.00 71.05 C ATOM 1492 OD1 ASP A 88 4.845 9.064 12.889 1.00 54.21 O ATOM 1493 OD2 ASP A 88 6.584 8.480 11.697 1.00 33.01 O ATOM 0 H ASP A 88 3.445 4.935 11.100 1.00 64.43 H new ATOM 0 HA ASP A 88 2.858 7.714 11.281 1.00 10.02 H new ATOM 0 HB2 ASP A 88 4.415 6.453 12.786 1.00 42.22 H new ATOM 0 HB3 ASP A 88 5.516 6.210 11.445 1.00 42.22 H new ATOM 1498 N GLN A 89 4.486 6.738 8.599 1.00 22.52 N ATOM 1499 CA GLN A 89 4.838 7.136 7.221 1.00 51.42 C ATOM 1500 C GLN A 89 3.578 7.550 6.438 1.00 15.44 C ATOM 1501 O GLN A 89 3.630 8.476 5.629 1.00 72.41 O ATOM 1502 CB GLN A 89 5.581 5.993 6.479 1.00 11.34 C ATOM 1503 CG GLN A 89 6.961 5.632 7.070 1.00 24.43 C ATOM 1504 CD GLN A 89 7.679 4.534 6.278 1.00 55.12 C ATOM 1505 OE1 GLN A 89 7.480 3.286 6.660 1.00 44.43 O flip ATOM 1506 NE2 GLN A 89 8.429 4.811 5.340 1.00 15.33 N flip ATOM 0 H GLN A 89 4.602 5.742 8.785 1.00 22.52 H new ATOM 0 HA GLN A 89 5.509 7.992 7.283 1.00 51.42 H new ATOM 0 HB2 GLN A 89 4.952 5.103 6.489 1.00 11.34 H new ATOM 0 HB3 GLN A 89 5.711 6.280 5.435 1.00 11.34 H new ATOM 0 HG2 GLN A 89 7.586 6.525 7.093 1.00 24.43 H new ATOM 0 HG3 GLN A 89 6.835 5.305 8.102 1.00 24.43 H new ATOM 0 HE21 GLN A 89 8.565 5.784 5.066 1.00 15.33 H new ATOM 0 HE22 GLN A 89 8.914 4.067 4.838 1.00 15.33 H new ATOM 1515 N ALA A 90 2.452 6.851 6.689 1.00 53.21 N ATOM 1516 CA ALA A 90 1.150 7.152 6.042 1.00 61.11 C ATOM 1517 C ALA A 90 0.573 8.495 6.524 1.00 15.13 C ATOM 1518 O ALA A 90 -0.097 9.195 5.766 1.00 14.23 O ATOM 1519 CB ALA A 90 0.150 6.007 6.277 1.00 41.11 C ATOM 0 H ALA A 90 2.415 6.067 7.340 1.00 53.21 H new ATOM 0 HA ALA A 90 1.326 7.241 4.970 1.00 61.11 H new ATOM 0 HB1 ALA A 90 -0.798 6.247 5.795 1.00 41.11 H new ATOM 0 HB2 ALA A 90 0.548 5.084 5.855 1.00 41.11 H new ATOM 0 HB3 ALA A 90 -0.010 5.878 7.347 1.00 41.11 H new ATOM 1525 N LYS A 91 0.845 8.834 7.794 1.00 32.33 N ATOM 1526 CA LYS A 91 0.461 10.131 8.386 1.00 72.55 C ATOM 1527 C LYS A 91 1.352 11.249 7.829 1.00 54.44 C ATOM 1528 O LYS A 91 0.875 12.349 7.532 1.00 40.10 O ATOM 1529 CB LYS A 91 0.582 10.077 9.930 1.00 35.22 C ATOM 1530 CG LYS A 91 -0.316 9.018 10.599 1.00 44.14 C ATOM 1531 CD LYS A 91 -0.093 8.919 12.123 1.00 30.53 C ATOM 1532 CE LYS A 91 -0.821 7.719 12.750 1.00 45.13 C ATOM 1533 NZ LYS A 91 -0.603 7.661 14.221 1.00 73.01 N ATOM 0 H LYS A 91 1.337 8.219 8.442 1.00 32.33 H new ATOM 0 HA LYS A 91 -0.576 10.339 8.124 1.00 72.55 H new ATOM 0 HB2 LYS A 91 1.620 9.876 10.195 1.00 35.22 H new ATOM 0 HB3 LYS A 91 0.333 11.057 10.337 1.00 35.22 H new ATOM 0 HG2 LYS A 91 -1.361 9.260 10.405 1.00 44.14 H new ATOM 0 HG3 LYS A 91 -0.124 8.046 10.145 1.00 44.14 H new ATOM 0 HD2 LYS A 91 0.975 8.838 12.326 1.00 30.53 H new ATOM 0 HD3 LYS A 91 -0.439 9.837 12.598 1.00 30.53 H new ATOM 0 HE2 LYS A 91 -1.888 7.789 12.541 1.00 45.13 H new ATOM 0 HE3 LYS A 91 -0.467 6.796 12.291 1.00 45.13 H new ATOM 0 HZ1 LYS A 91 -1.107 6.841 14.615 1.00 73.01 H new ATOM 0 HZ2 LYS A 91 0.414 7.570 14.418 1.00 73.01 H new ATOM 0 HZ3 LYS A 91 -0.964 8.532 14.660 1.00 73.01 H new ATOM 1547 N GLN A 92 2.654 10.935 7.678 1.00 51.45 N ATOM 1548 CA GLN A 92 3.652 11.897 7.188 1.00 54.10 C ATOM 1549 C GLN A 92 3.346 12.316 5.740 1.00 33.32 C ATOM 1550 O GLN A 92 3.368 13.511 5.431 1.00 71.23 O ATOM 1551 CB GLN A 92 5.089 11.313 7.297 1.00 4.03 C ATOM 1552 CG GLN A 92 6.214 12.224 6.741 1.00 51.32 C ATOM 1553 CD GLN A 92 6.325 13.618 7.390 1.00 73.13 C ATOM 1554 OE1 GLN A 92 6.687 14.584 6.724 1.00 31.14 O ATOM 1555 NE2 GLN A 92 6.052 13.724 8.686 1.00 23.14 N ATOM 0 H GLN A 92 3.038 10.014 7.891 1.00 51.45 H new ATOM 0 HA GLN A 92 3.598 12.785 7.818 1.00 54.10 H new ATOM 0 HB2 GLN A 92 5.300 11.101 8.345 1.00 4.03 H new ATOM 0 HB3 GLN A 92 5.119 10.361 6.767 1.00 4.03 H new ATOM 0 HG2 GLN A 92 7.167 11.709 6.863 1.00 51.32 H new ATOM 0 HG3 GLN A 92 6.056 12.353 5.670 1.00 51.32 H new ATOM 0 HE21 GLN A 92 5.753 12.903 9.213 1.00 23.14 H new ATOM 0 HE22 GLN A 92 6.141 14.626 9.154 1.00 23.14 H new ATOM 1564 N ILE A 93 3.066 11.324 4.861 1.00 25.32 N ATOM 1565 CA ILE A 93 2.790 11.595 3.432 1.00 1.31 C ATOM 1566 C ILE A 93 1.506 12.430 3.223 1.00 54.14 C ATOM 1567 O ILE A 93 1.427 13.190 2.260 1.00 42.21 O ATOM 1568 CB ILE A 93 2.758 10.291 2.550 1.00 63.40 C ATOM 1569 CG1 ILE A 93 1.634 9.324 3.014 1.00 53.13 C ATOM 1570 CG2 ILE A 93 4.138 9.591 2.548 1.00 40.13 C ATOM 1571 CD1 ILE A 93 1.573 8.005 2.268 1.00 51.23 C ATOM 0 H ILE A 93 3.026 10.337 5.115 1.00 25.32 H new ATOM 0 HA ILE A 93 3.634 12.193 3.089 1.00 1.31 H new ATOM 0 HB ILE A 93 2.532 10.586 1.525 1.00 63.40 H new ATOM 0 HG12 ILE A 93 1.769 9.117 4.076 1.00 53.13 H new ATOM 0 HG13 ILE A 93 0.674 9.829 2.907 1.00 53.13 H new ATOM 0 HG21 ILE A 93 4.090 8.693 1.932 1.00 40.13 H new ATOM 0 HG22 ILE A 93 4.889 10.269 2.143 1.00 40.13 H new ATOM 0 HG23 ILE A 93 4.409 9.317 3.568 1.00 40.13 H new ATOM 0 HD11 ILE A 93 0.757 7.400 2.664 1.00 51.23 H new ATOM 0 HD12 ILE A 93 1.403 8.194 1.208 1.00 51.23 H new ATOM 0 HD13 ILE A 93 2.515 7.471 2.395 1.00 51.23 H new ATOM 1583 N LEU A 94 0.530 12.308 4.140 1.00 55.45 N ATOM 1584 CA LEU A 94 -0.686 13.167 4.140 1.00 3.11 C ATOM 1585 C LEU A 94 -0.314 14.672 4.123 1.00 42.33 C ATOM 1586 O LEU A 94 -0.979 15.474 3.456 1.00 52.23 O ATOM 1587 CB LEU A 94 -1.595 12.841 5.363 1.00 32.31 C ATOM 1588 CG LEU A 94 -2.359 11.481 5.307 1.00 43.04 C ATOM 1589 CD1 LEU A 94 -3.042 11.156 6.663 1.00 34.04 C ATOM 1590 CD2 LEU A 94 -3.386 11.487 4.145 1.00 40.42 C ATOM 0 H LEU A 94 0.552 11.623 4.896 1.00 55.45 H new ATOM 0 HA LEU A 94 -1.243 12.950 3.229 1.00 3.11 H new ATOM 0 HB2 LEU A 94 -0.978 12.851 6.262 1.00 32.31 H new ATOM 0 HB3 LEU A 94 -2.327 13.642 5.470 1.00 32.31 H new ATOM 0 HG LEU A 94 -1.632 10.691 5.117 1.00 43.04 H new ATOM 0 HD11 LEU A 94 -3.565 10.202 6.588 1.00 34.04 H new ATOM 0 HD12 LEU A 94 -2.286 11.095 7.446 1.00 34.04 H new ATOM 0 HD13 LEU A 94 -3.756 11.942 6.909 1.00 34.04 H new ATOM 0 HD21 LEU A 94 -3.911 10.532 4.118 1.00 40.42 H new ATOM 0 HD22 LEU A 94 -4.105 12.292 4.299 1.00 40.42 H new ATOM 0 HD23 LEU A 94 -2.865 11.641 3.200 1.00 40.42 H new ATOM 1602 N GLU A 95 0.769 15.022 4.839 1.00 30.03 N ATOM 1603 CA GLU A 95 1.321 16.393 4.859 1.00 5.41 C ATOM 1604 C GLU A 95 2.278 16.621 3.669 1.00 25.13 C ATOM 1605 O GLU A 95 2.171 17.620 2.989 1.00 21.34 O ATOM 1606 CB GLU A 95 2.038 16.667 6.211 1.00 34.54 C ATOM 1607 CG GLU A 95 1.163 16.442 7.459 1.00 72.41 C ATOM 1608 CD GLU A 95 -0.155 17.235 7.427 1.00 42.23 C ATOM 1609 OE1 GLU A 95 -0.150 18.435 7.776 1.00 64.03 O ATOM 1610 OE2 GLU A 95 -1.202 16.671 7.035 1.00 44.30 O ATOM 0 H GLU A 95 1.288 14.364 5.421 1.00 30.03 H new ATOM 0 HA GLU A 95 0.495 17.097 4.759 1.00 5.41 H new ATOM 0 HB2 GLU A 95 2.916 16.024 6.278 1.00 34.54 H new ATOM 0 HB3 GLU A 95 2.396 17.697 6.215 1.00 34.54 H new ATOM 0 HG2 GLU A 95 0.938 15.379 7.550 1.00 72.41 H new ATOM 0 HG3 GLU A 95 1.728 16.725 8.347 1.00 72.41 H new ATOM 1617 N ASP A 96 3.229 15.691 3.510 1.00 53.23 N ATOM 1618 CA ASP A 96 4.251 15.668 2.422 1.00 41.24 C ATOM 1619 C ASP A 96 3.684 16.039 1.020 1.00 51.40 C ATOM 1620 O ASP A 96 4.287 16.838 0.291 1.00 44.54 O ATOM 1621 CB ASP A 96 4.909 14.272 2.366 1.00 53.22 C ATOM 1622 CG ASP A 96 6.102 14.182 1.405 1.00 0.24 C ATOM 1623 OD1 ASP A 96 7.203 14.607 1.786 1.00 14.51 O ATOM 1624 OD2 ASP A 96 5.939 13.672 0.271 1.00 44.21 O ATOM 0 H ASP A 96 3.323 14.902 4.150 1.00 53.23 H new ATOM 0 HA ASP A 96 4.985 16.435 2.667 1.00 41.24 H new ATOM 0 HB2 ASP A 96 5.241 13.998 3.367 1.00 53.22 H new ATOM 0 HB3 ASP A 96 4.159 13.540 2.067 1.00 53.22 H new ATOM 1629 N LEU A 97 2.513 15.470 0.676 1.00 33.13 N ATOM 1630 CA LEU A 97 1.829 15.710 -0.630 1.00 15.24 C ATOM 1631 C LEU A 97 1.287 17.153 -0.741 1.00 71.02 C ATOM 1632 O LEU A 97 1.094 17.663 -1.842 1.00 31.22 O ATOM 1633 CB LEU A 97 0.681 14.672 -0.842 1.00 34.12 C ATOM 1634 CG LEU A 97 1.072 13.291 -1.470 1.00 23.12 C ATOM 1635 CD1 LEU A 97 2.084 12.503 -0.617 1.00 13.42 C ATOM 1636 CD2 LEU A 97 -0.194 12.452 -1.723 1.00 64.45 C ATOM 0 H LEU A 97 2.007 14.830 1.288 1.00 33.13 H new ATOM 0 HA LEU A 97 2.571 15.582 -1.418 1.00 15.24 H new ATOM 0 HB2 LEU A 97 0.213 14.483 0.124 1.00 34.12 H new ATOM 0 HB3 LEU A 97 -0.076 15.130 -1.478 1.00 34.12 H new ATOM 0 HG LEU A 97 1.569 13.501 -2.417 1.00 23.12 H new ATOM 0 HD11 LEU A 97 2.313 11.557 -1.107 1.00 13.42 H new ATOM 0 HD12 LEU A 97 2.999 13.086 -0.507 1.00 13.42 H new ATOM 0 HD13 LEU A 97 1.657 12.308 0.367 1.00 13.42 H new ATOM 0 HD21 LEU A 97 0.086 11.493 -2.160 1.00 64.45 H new ATOM 0 HD22 LEU A 97 -0.713 12.283 -0.780 1.00 64.45 H new ATOM 0 HD23 LEU A 97 -0.852 12.985 -2.409 1.00 64.45 H new ATOM 1648 N LYS A 98 1.054 17.776 0.420 1.00 12.52 N ATOM 1649 CA LYS A 98 0.581 19.172 0.519 1.00 24.33 C ATOM 1650 C LYS A 98 1.781 20.128 0.456 1.00 54.22 C ATOM 1651 O LYS A 98 1.690 21.198 -0.143 1.00 1.33 O ATOM 1652 CB LYS A 98 -0.221 19.395 1.836 1.00 34.45 C ATOM 1653 CG LYS A 98 -1.315 18.344 2.105 1.00 3.02 C ATOM 1654 CD LYS A 98 -2.346 18.234 0.962 1.00 74.53 C ATOM 1655 CE LYS A 98 -3.350 17.103 1.190 1.00 12.10 C ATOM 1656 NZ LYS A 98 -4.189 17.325 2.388 1.00 62.34 N ATOM 0 H LYS A 98 1.188 17.327 1.326 1.00 12.52 H new ATOM 0 HA LYS A 98 -0.086 19.376 -0.319 1.00 24.33 H new ATOM 0 HB2 LYS A 98 0.476 19.398 2.674 1.00 34.45 H new ATOM 0 HB3 LYS A 98 -0.683 20.381 1.802 1.00 34.45 H new ATOM 0 HG2 LYS A 98 -0.846 17.372 2.258 1.00 3.02 H new ATOM 0 HG3 LYS A 98 -1.833 18.597 3.030 1.00 3.02 H new ATOM 0 HD2 LYS A 98 -2.882 19.178 0.867 1.00 74.53 H new ATOM 0 HD3 LYS A 98 -1.824 18.068 0.020 1.00 74.53 H new ATOM 0 HE2 LYS A 98 -3.991 17.008 0.314 1.00 12.10 H new ATOM 0 HE3 LYS A 98 -2.813 16.160 1.296 1.00 12.10 H new ATOM 0 HZ1 LYS A 98 -4.875 16.549 2.480 1.00 62.34 H new ATOM 0 HZ2 LYS A 98 -3.585 17.355 3.234 1.00 62.34 H new ATOM 0 HZ3 LYS A 98 -4.698 18.227 2.293 1.00 62.34 H new ATOM 1670 N LYS A 99 2.893 19.728 1.113 1.00 14.34 N ATOM 1671 CA LYS A 99 4.136 20.518 1.156 1.00 53.20 C ATOM 1672 C LYS A 99 4.763 20.579 -0.255 1.00 54.32 C ATOM 1673 O LYS A 99 4.711 21.620 -0.917 1.00 62.14 O ATOM 1674 CB LYS A 99 5.157 19.920 2.182 1.00 25.44 C ATOM 1675 CG LYS A 99 4.594 19.628 3.590 1.00 21.43 C ATOM 1676 CD LYS A 99 3.960 20.858 4.276 1.00 64.34 C ATOM 1677 CE LYS A 99 3.307 20.498 5.621 1.00 72.41 C ATOM 1678 NZ LYS A 99 2.695 21.682 6.276 1.00 60.32 N ATOM 0 H LYS A 99 2.950 18.849 1.627 1.00 14.34 H new ATOM 0 HA LYS A 99 3.890 21.527 1.486 1.00 53.20 H new ATOM 0 HB2 LYS A 99 5.557 18.993 1.771 1.00 25.44 H new ATOM 0 HB3 LYS A 99 5.993 20.612 2.281 1.00 25.44 H new ATOM 0 HG2 LYS A 99 3.845 18.839 3.515 1.00 21.43 H new ATOM 0 HG3 LYS A 99 5.397 19.246 4.220 1.00 21.43 H new ATOM 0 HD2 LYS A 99 4.725 21.617 4.437 1.00 64.34 H new ATOM 0 HD3 LYS A 99 3.211 21.295 3.615 1.00 64.34 H new ATOM 0 HE2 LYS A 99 2.543 19.737 5.461 1.00 72.41 H new ATOM 0 HE3 LYS A 99 4.056 20.064 6.283 1.00 72.41 H new ATOM 0 HZ1 LYS A 99 2.266 21.396 7.179 1.00 60.32 H new ATOM 0 HZ2 LYS A 99 3.428 22.399 6.452 1.00 60.32 H new ATOM 0 HZ3 LYS A 99 1.962 22.082 5.656 1.00 60.32 H new ATOM 1692 N LYS A 100 5.298 19.423 -0.688 1.00 33.14 N ATOM 1693 CA LYS A 100 5.955 19.216 -1.999 1.00 30.53 C ATOM 1694 C LYS A 100 6.603 17.817 -2.008 1.00 25.43 C ATOM 1695 O LYS A 100 7.142 17.385 -0.980 1.00 42.20 O ATOM 1696 CB LYS A 100 7.042 20.298 -2.295 1.00 23.11 C ATOM 1697 CG LYS A 100 7.740 20.158 -3.667 1.00 71.50 C ATOM 1698 CD LYS A 100 8.809 21.248 -3.908 1.00 43.43 C ATOM 1699 CE LYS A 100 8.210 22.661 -4.014 1.00 24.12 C ATOM 1700 NZ LYS A 100 7.236 22.781 -5.131 1.00 13.35 N ATOM 0 H LYS A 100 5.286 18.577 -0.119 1.00 33.14 H new ATOM 0 HA LYS A 100 5.196 19.300 -2.777 1.00 30.53 H new ATOM 0 HB2 LYS A 100 6.579 21.283 -2.238 1.00 23.11 H new ATOM 0 HB3 LYS A 100 7.799 20.256 -1.512 1.00 23.11 H new ATOM 0 HG2 LYS A 100 8.208 19.176 -3.733 1.00 71.50 H new ATOM 0 HG3 LYS A 100 6.991 20.209 -4.458 1.00 71.50 H new ATOM 0 HD2 LYS A 100 9.533 21.226 -3.094 1.00 43.43 H new ATOM 0 HD3 LYS A 100 9.353 21.020 -4.825 1.00 43.43 H new ATOM 0 HE2 LYS A 100 7.716 22.915 -3.076 1.00 24.12 H new ATOM 0 HE3 LYS A 100 9.013 23.384 -4.157 1.00 24.12 H new ATOM 0 HZ1 LYS A 100 6.989 23.782 -5.270 1.00 13.35 H new ATOM 0 HZ2 LYS A 100 7.660 22.405 -6.003 1.00 13.35 H new ATOM 0 HZ3 LYS A 100 6.377 22.241 -4.902 1.00 13.35 H new ATOM 1714 N GLY A 101 6.550 17.126 -3.151 1.00 72.22 N ATOM 1715 CA GLY A 101 7.218 15.838 -3.308 1.00 45.02 C ATOM 1716 C GLY A 101 7.051 15.295 -4.714 1.00 2.03 C ATOM 1717 O GLY A 101 6.702 14.125 -4.903 1.00 23.12 O ATOM 0 H GLY A 101 6.049 17.442 -3.981 1.00 72.22 H new ATOM 0 HA2 GLY A 101 8.279 15.947 -3.082 1.00 45.02 H new ATOM 0 HA3 GLY A 101 6.811 15.126 -2.591 1.00 45.02 H new ATOM 1721 N SER A 102 7.327 16.154 -5.709 1.00 63.33 N ATOM 1722 CA SER A 102 7.101 15.848 -7.129 1.00 4.21 C ATOM 1723 C SER A 102 8.434 15.552 -7.855 1.00 62.04 C ATOM 1724 O SER A 102 8.692 14.404 -8.224 1.00 74.43 O ATOM 1725 CB SER A 102 6.352 17.019 -7.799 1.00 3.23 C ATOM 1726 OG SER A 102 5.165 17.346 -7.077 1.00 71.44 O ATOM 0 H SER A 102 7.715 17.084 -5.549 1.00 63.33 H new ATOM 0 HA SER A 102 6.487 14.950 -7.201 1.00 4.21 H new ATOM 0 HB2 SER A 102 7.004 17.891 -7.849 1.00 3.23 H new ATOM 0 HB3 SER A 102 6.097 16.753 -8.825 1.00 3.23 H new ATOM 0 HG SER A 102 4.708 18.092 -7.519 1.00 71.44 H new ATOM 1732 N LEU A 103 9.295 16.585 -8.010 1.00 64.32 N ATOM 1733 CA LEU A 103 10.515 16.500 -8.866 1.00 75.21 C ATOM 1734 C LEU A 103 11.780 16.130 -8.070 1.00 35.32 C ATOM 1735 O LEU A 103 12.884 16.106 -8.626 1.00 54.15 O ATOM 1736 CB LEU A 103 10.719 17.847 -9.618 1.00 14.11 C ATOM 1737 CG LEU A 103 9.619 18.216 -10.667 1.00 71.13 C ATOM 1738 CD1 LEU A 103 9.889 19.601 -11.317 1.00 21.41 C ATOM 1739 CD2 LEU A 103 9.492 17.101 -11.733 1.00 2.42 C ATOM 0 H LEU A 103 9.172 17.490 -7.556 1.00 64.32 H new ATOM 0 HA LEU A 103 10.355 15.695 -9.583 1.00 75.21 H new ATOM 0 HB2 LEU A 103 10.774 18.648 -8.881 1.00 14.11 H new ATOM 0 HB3 LEU A 103 11.683 17.815 -10.126 1.00 14.11 H new ATOM 0 HG LEU A 103 8.666 18.294 -10.144 1.00 71.13 H new ATOM 0 HD11 LEU A 103 9.104 19.823 -12.040 1.00 21.41 H new ATOM 0 HD12 LEU A 103 9.899 20.370 -10.544 1.00 21.41 H new ATOM 0 HD13 LEU A 103 10.854 19.583 -11.823 1.00 21.41 H new ATOM 0 HD21 LEU A 103 8.722 17.374 -12.455 1.00 2.42 H new ATOM 0 HD22 LEU A 103 10.445 16.979 -12.247 1.00 2.42 H new ATOM 0 HD23 LEU A 103 9.219 16.164 -11.248 1.00 2.42 H new ATOM 1751 N GLU A 104 11.603 15.805 -6.782 1.00 51.04 N ATOM 1752 CA GLU A 104 12.717 15.513 -5.856 1.00 41.15 C ATOM 1753 C GLU A 104 13.081 14.004 -5.866 1.00 31.51 C ATOM 1754 O GLU A 104 14.002 13.586 -5.157 1.00 30.31 O ATOM 1755 CB GLU A 104 12.353 15.986 -4.413 1.00 4.55 C ATOM 1756 CG GLU A 104 12.062 17.508 -4.254 1.00 73.14 C ATOM 1757 CD GLU A 104 10.778 17.992 -4.970 1.00 3.51 C ATOM 1758 OE1 GLU A 104 9.689 17.532 -4.595 1.00 63.51 O ATOM 1759 OE2 GLU A 104 10.850 18.810 -5.913 1.00 3.31 O ATOM 0 H GLU A 104 10.683 15.736 -6.347 1.00 51.04 H new ATOM 0 HA GLU A 104 13.595 16.063 -6.195 1.00 41.15 H new ATOM 0 HB2 GLU A 104 11.477 15.431 -4.079 1.00 4.55 H new ATOM 0 HB3 GLU A 104 13.173 15.720 -3.746 1.00 4.55 H new ATOM 0 HG2 GLU A 104 11.981 17.741 -3.192 1.00 73.14 H new ATOM 0 HG3 GLU A 104 12.912 18.070 -4.640 1.00 73.14 H new ATOM 1766 N HIS A 105 12.357 13.213 -6.693 1.00 11.10 N ATOM 1767 CA HIS A 105 12.528 11.745 -6.811 1.00 11.52 C ATOM 1768 C HIS A 105 13.879 11.388 -7.477 1.00 64.42 C ATOM 1769 O HIS A 105 13.981 11.122 -8.682 1.00 44.24 O ATOM 1770 CB HIS A 105 11.321 11.130 -7.575 1.00 42.00 C ATOM 1771 CG HIS A 105 11.179 11.586 -9.004 1.00 4.14 C ATOM 1772 ND1 HIS A 105 11.382 10.739 -10.074 1.00 42.14 N ATOM 1773 CD2 HIS A 105 10.865 12.783 -9.539 1.00 40.13 C ATOM 1774 CE1 HIS A 105 11.203 11.403 -11.190 1.00 52.44 C ATOM 1775 NE2 HIS A 105 10.892 12.641 -10.899 1.00 44.05 N ATOM 0 H HIS A 105 11.629 13.581 -7.305 1.00 11.10 H new ATOM 0 HA HIS A 105 12.550 11.312 -5.811 1.00 11.52 H new ATOM 0 HB2 HIS A 105 11.416 10.044 -7.563 1.00 42.00 H new ATOM 0 HB3 HIS A 105 10.405 11.376 -7.037 1.00 42.00 H new ATOM 0 HD2 HIS A 105 10.635 13.687 -8.994 1.00 40.13 H new ATOM 0 HE1 HIS A 105 11.297 10.996 -12.186 1.00 52.44 H new ATOM 0 HE2 HIS A 105 10.701 13.379 -11.576 1.00 44.05 H new ATOM 1784 N HIS A 106 14.939 11.438 -6.672 1.00 52.21 N ATOM 1785 CA HIS A 106 16.318 11.233 -7.138 1.00 50.23 C ATOM 1786 C HIS A 106 17.069 10.372 -6.119 1.00 62.42 C ATOM 1787 O HIS A 106 18.020 10.818 -5.464 1.00 75.33 O ATOM 1788 CB HIS A 106 17.023 12.597 -7.408 1.00 12.52 C ATOM 1789 CG HIS A 106 16.490 13.348 -8.606 1.00 50.31 C ATOM 1790 ND1 HIS A 106 17.024 13.222 -9.871 1.00 24.33 N ATOM 1791 CD2 HIS A 106 15.454 14.215 -8.732 1.00 75.41 C ATOM 1792 CE1 HIS A 106 16.347 13.975 -10.714 1.00 61.41 C ATOM 1793 NE2 HIS A 106 15.390 14.587 -10.047 1.00 12.42 N ATOM 0 H HIS A 106 14.870 11.623 -5.671 1.00 52.21 H new ATOM 0 HA HIS A 106 16.313 10.702 -8.090 1.00 50.23 H new ATOM 0 HB2 HIS A 106 16.920 13.227 -6.524 1.00 12.52 H new ATOM 0 HB3 HIS A 106 18.089 12.419 -7.550 1.00 12.52 H new ATOM 0 HD2 HIS A 106 14.800 14.550 -7.940 1.00 75.41 H new ATOM 0 HE1 HIS A 106 16.543 14.074 -11.771 1.00 61.41 H new ATOM 0 HE2 HIS A 106 14.710 15.234 -10.447 1.00 12.42 H new ATOM 1802 N HIS A 107 16.569 9.136 -5.947 1.00 35.12 N ATOM 1803 CA HIS A 107 17.224 8.104 -5.132 1.00 3.13 C ATOM 1804 C HIS A 107 18.540 7.695 -5.814 1.00 74.52 C ATOM 1805 O HIS A 107 18.533 7.303 -6.989 1.00 24.22 O ATOM 1806 CB HIS A 107 16.278 6.886 -4.960 1.00 21.14 C ATOM 1807 CG HIS A 107 16.779 5.807 -4.027 1.00 32.11 C ATOM 1808 ND1 HIS A 107 16.264 5.607 -2.765 1.00 44.52 N ATOM 1809 CD2 HIS A 107 17.723 4.849 -4.191 1.00 14.13 C ATOM 1810 CE1 HIS A 107 16.862 4.581 -2.200 1.00 3.23 C ATOM 1811 NE2 HIS A 107 17.749 4.102 -3.042 1.00 70.22 N ATOM 0 H HIS A 107 15.695 8.826 -6.372 1.00 35.12 H new ATOM 0 HA HIS A 107 17.447 8.494 -4.139 1.00 3.13 H new ATOM 0 HB2 HIS A 107 15.316 7.243 -4.593 1.00 21.14 H new ATOM 0 HB3 HIS A 107 16.101 6.443 -5.940 1.00 21.14 H new ATOM 0 HD2 HIS A 107 18.340 4.701 -5.065 1.00 14.13 H new ATOM 0 HE1 HIS A 107 16.658 4.197 -1.211 1.00 3.23 H new ATOM 0 HE2 HIS A 107 18.359 3.303 -2.869 1.00 70.22 H new ATOM 1820 N HIS A 108 19.650 7.786 -5.064 1.00 63.43 N ATOM 1821 CA HIS A 108 21.004 7.576 -5.597 1.00 34.53 C ATOM 1822 C HIS A 108 21.303 6.076 -5.804 1.00 73.45 C ATOM 1823 O HIS A 108 21.916 5.422 -4.953 1.00 14.41 O ATOM 1824 CB HIS A 108 22.075 8.243 -4.681 1.00 3.15 C ATOM 1825 CG HIS A 108 21.995 9.747 -4.550 1.00 35.53 C ATOM 1826 ND1 HIS A 108 22.880 10.470 -3.785 1.00 21.33 N ATOM 1827 CD2 HIS A 108 21.163 10.661 -5.104 1.00 62.53 C ATOM 1828 CE1 HIS A 108 22.599 11.752 -3.872 1.00 63.21 C ATOM 1829 NE2 HIS A 108 21.560 11.898 -4.667 1.00 72.32 N ATOM 0 H HIS A 108 19.633 8.008 -4.069 1.00 63.43 H new ATOM 0 HA HIS A 108 21.052 8.057 -6.574 1.00 34.53 H new ATOM 0 HB2 HIS A 108 21.994 7.807 -3.685 1.00 3.15 H new ATOM 0 HB3 HIS A 108 23.062 7.984 -5.063 1.00 3.15 H new ATOM 0 HD2 HIS A 108 20.338 10.453 -5.769 1.00 62.53 H new ATOM 0 HE1 HIS A 108 23.131 12.550 -3.375 1.00 63.21 H new ATOM 0 HE2 HIS A 108 21.123 12.785 -4.917 1.00 72.32 H new ATOM 1838 N HIS A 109 20.817 5.528 -6.931 1.00 30.33 N ATOM 1839 CA HIS A 109 21.136 4.159 -7.362 1.00 3.03 C ATOM 1840 C HIS A 109 22.213 4.246 -8.452 1.00 15.02 C ATOM 1841 O HIS A 109 21.907 4.361 -9.644 1.00 13.42 O ATOM 1842 CB HIS A 109 19.861 3.418 -7.852 1.00 45.54 C ATOM 1843 CG HIS A 109 20.084 1.963 -8.222 1.00 23.13 C ATOM 1844 ND1 HIS A 109 19.847 0.917 -7.356 1.00 53.02 N ATOM 1845 CD2 HIS A 109 20.508 1.390 -9.377 1.00 51.13 C ATOM 1846 CE1 HIS A 109 20.112 -0.224 -7.958 1.00 40.34 C ATOM 1847 NE2 HIS A 109 20.519 0.033 -9.185 1.00 22.03 N ATOM 0 H HIS A 109 20.192 6.023 -7.568 1.00 30.33 H new ATOM 0 HA HIS A 109 21.520 3.575 -6.525 1.00 3.03 H new ATOM 0 HB2 HIS A 109 19.103 3.469 -7.070 1.00 45.54 H new ATOM 0 HB3 HIS A 109 19.461 3.943 -8.719 1.00 45.54 H new ATOM 0 HD2 HIS A 109 20.786 1.909 -10.282 1.00 51.13 H new ATOM 0 HE1 HIS A 109 20.012 -1.206 -7.520 1.00 40.34 H new ATOM 0 HE2 HIS A 109 20.796 -0.663 -9.877 1.00 22.03 H new ATOM 1856 N HIS A 110 23.473 4.242 -8.020 1.00 50.13 N ATOM 1857 CA HIS A 110 24.645 4.354 -8.905 1.00 42.53 C ATOM 1858 C HIS A 110 25.551 3.119 -8.707 1.00 54.24 C ATOM 1859 O HIS A 110 25.954 2.843 -7.555 1.00 74.51 O ATOM 1860 CB HIS A 110 25.421 5.685 -8.648 1.00 61.54 C ATOM 1861 CG HIS A 110 25.725 5.979 -7.198 1.00 63.03 C ATOM 1862 ND1 HIS A 110 25.038 6.700 -6.278 1.00 62.55 N flip ATOM 1863 CD2 HIS A 110 26.831 5.486 -6.534 1.00 30.13 C flip ATOM 1864 CE1 HIS A 110 25.730 6.622 -5.097 1.00 13.21 C flip ATOM 1865 NE2 HIS A 110 26.804 5.885 -5.280 1.00 24.04 N flip ATOM 1866 OXT HIS A 110 25.852 2.425 -9.693 1.00 38.40 O ATOM 0 H HIS A 110 23.718 4.160 -7.033 1.00 50.13 H new ATOM 0 HA HIS A 110 24.311 4.381 -9.942 1.00 42.53 H new ATOM 0 HB2 HIS A 110 26.360 5.653 -9.201 1.00 61.54 H new ATOM 0 HB3 HIS A 110 24.839 6.511 -9.056 1.00 61.54 H new ATOM 0 HD2 HIS A 110 27.599 4.869 -6.975 1.00 30.13 H new ATOM 0 HE1 HIS A 110 25.440 7.090 -4.168 1.00 13.21 H new ATOM 0 HE2 HIS A 110 27.500 5.660 -4.569 1.00 24.04 H new TER 1875 HIS A 110