USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=28 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 107 HIS : no HD1:sc= -0.314 X(o=-0.33,f=-0.5) USER MOD Set 1.2: A 109 HIS : no HD1:sc= -0.0131 X(o=-0.33,f=-0.5) USER MOD Set 2.1: A 102 SER OG : rot 157:sc= 1.29 USER MOD Set 2.2: A 106 HIS : no HE2:sc= 1.04 K(o=2.3,f=-4.4!) USER MOD Set 3.1: A 92 GLN : amide:sc= -2.04 K(o=-2.1,f=-0.7) USER MOD Set 3.2: A 108 HIS : no HD1:sc= -0.0187 X(o=-2.1,f=-2.3) USER MOD Set 4.1: A 85 THR OG1 : rot 70:sc= 0.622 USER MOD Set 4.2: A 89 GLN : amide:sc= -0.461 K(o=0.16,f=-3.8!) USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0235 (180deg=-0.249) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0125 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 0.679 (180deg=0.55) USER MOD Single : A 10 SER OG : rot 144:sc= 0.426 USER MOD Single : A 11 SER OG : rot 48:sc= 0.048 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 80:sc= 0.674 USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0002) USER MOD Single : A 24 LYS NZ :NH3+ -107:sc= 1.39 (180deg=-0.202) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= 0.324 (180deg=0.0349) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00616) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.673 K(o=-0.67,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= 0.351 (180deg=0.143) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.587 K(o=-0.59,f=-0.017) USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= 0.509 (180deg=0.369) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.031 (180deg=-0.252) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0.00817 (180deg=0.00736) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0.373 (180deg=0.359) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -107:sc= -0.686 (180deg=-2.22!) USER MOD Single : A 78 GLN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0.163 (180deg=0.0889) USER MOD Single : A 91 LYS NZ :NH3+ 139:sc= 0.358 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 179:sc= 0.455 (180deg=0.417) USER MOD Single : A 99 LYS NZ :NH3+ -152:sc= -0.352 (180deg=-1.5!) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0.723 (180deg=0.656) USER MOD Single : A 105 HIS : no HD1:sc= -1.57! K(o=-1.6!,f=-0.22) USER MOD Single : A 110 HIS : no HD1:sc= 0.0745 K(o=0.074,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.992 18.095 -8.539 1.00 0.00 N ATOM 2 CA MET A 1 -1.455 17.764 -9.876 1.00 52.33 C ATOM 3 C MET A 1 -0.083 17.098 -9.736 1.00 13.41 C ATOM 4 O MET A 1 0.742 17.518 -8.916 1.00 13.53 O ATOM 5 CB MET A 1 -1.371 19.035 -10.767 1.00 42.42 C ATOM 6 CG MET A 1 -0.962 18.775 -12.230 1.00 63.04 C ATOM 7 SD MET A 1 -2.100 17.663 -13.093 1.00 52.53 S ATOM 8 CE MET A 1 -3.636 18.597 -13.069 1.00 50.45 C ATOM 0 H1 MET A 1 -2.413 19.046 -8.560 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.719 17.400 -8.275 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.222 18.072 -7.840 1.00 0.00 H new ATOM 0 HA MET A 1 -2.132 17.063 -10.364 1.00 52.33 H new ATOM 0 HB2 MET A 1 -2.341 19.532 -10.759 1.00 42.42 H new ATOM 0 HB3 MET A 1 -0.655 19.726 -10.322 1.00 42.42 H new ATOM 0 HG2 MET A 1 -0.916 19.725 -12.763 1.00 63.04 H new ATOM 0 HG3 MET A 1 0.041 18.348 -12.251 1.00 63.04 H new ATOM 0 HE1 MET A 1 -4.355 18.132 -13.743 1.00 50.45 H new ATOM 0 HE2 MET A 1 -4.041 18.606 -12.057 1.00 50.45 H new ATOM 0 HE3 MET A 1 -3.445 19.620 -13.392 1.00 50.45 H new ATOM 20 N GLY A 2 0.160 16.067 -10.554 1.00 65.14 N ATOM 21 CA GLY A 2 1.367 15.260 -10.470 1.00 33.13 C ATOM 22 C GLY A 2 1.016 13.819 -10.212 1.00 1.34 C ATOM 23 O GLY A 2 0.651 13.464 -9.083 1.00 13.41 O ATOM 0 H GLY A 2 -0.481 15.774 -11.292 1.00 65.14 H new ATOM 0 HA2 GLY A 2 1.933 15.343 -11.398 1.00 33.13 H new ATOM 0 HA3 GLY A 2 2.008 15.634 -9.671 1.00 33.13 H new ATOM 27 N SER A 3 1.073 12.995 -11.274 1.00 65.15 N ATOM 28 CA SER A 3 0.836 11.562 -11.183 1.00 41.21 C ATOM 29 C SER A 3 1.847 10.922 -10.217 1.00 31.00 C ATOM 30 O SER A 3 3.058 10.996 -10.431 1.00 4.03 O ATOM 31 CB SER A 3 0.916 10.921 -12.582 1.00 44.21 C ATOM 32 OG SER A 3 -0.073 11.477 -13.431 1.00 65.03 O ATOM 0 H SER A 3 1.286 13.316 -12.218 1.00 65.15 H new ATOM 0 HA SER A 3 -0.165 11.387 -10.790 1.00 41.21 H new ATOM 0 HB2 SER A 3 1.906 11.084 -13.009 1.00 44.21 H new ATOM 0 HB3 SER A 3 0.776 9.843 -12.505 1.00 44.21 H new ATOM 0 HG SER A 3 -0.013 11.064 -14.318 1.00 65.03 H new ATOM 38 N LYS A 4 1.322 10.380 -9.129 1.00 63.41 N ATOM 39 CA LYS A 4 2.079 9.655 -8.106 1.00 33.01 C ATOM 40 C LYS A 4 1.200 8.512 -7.608 1.00 22.33 C ATOM 41 O LYS A 4 -0.025 8.567 -7.736 1.00 63.15 O ATOM 42 CB LYS A 4 2.517 10.622 -6.946 1.00 23.02 C ATOM 43 CG LYS A 4 2.964 9.942 -5.614 1.00 52.14 C ATOM 44 CD LYS A 4 3.930 10.805 -4.757 1.00 63.44 C ATOM 45 CE LYS A 4 3.492 12.265 -4.572 1.00 32.11 C ATOM 46 NZ LYS A 4 4.516 13.047 -3.826 1.00 50.21 N ATOM 0 H LYS A 4 0.325 10.431 -8.922 1.00 63.41 H new ATOM 0 HA LYS A 4 3.001 9.247 -8.520 1.00 33.01 H new ATOM 0 HB2 LYS A 4 3.338 11.241 -7.307 1.00 23.02 H new ATOM 0 HB3 LYS A 4 1.686 11.292 -6.726 1.00 23.02 H new ATOM 0 HG2 LYS A 4 2.079 9.709 -5.022 1.00 52.14 H new ATOM 0 HG3 LYS A 4 3.450 8.994 -5.847 1.00 52.14 H new ATOM 0 HD2 LYS A 4 4.034 10.344 -3.775 1.00 63.44 H new ATOM 0 HD3 LYS A 4 4.916 10.792 -5.221 1.00 63.44 H new ATOM 0 HE2 LYS A 4 3.321 12.722 -5.547 1.00 32.11 H new ATOM 0 HE3 LYS A 4 2.544 12.297 -4.035 1.00 32.11 H new ATOM 0 HZ1 LYS A 4 4.275 14.058 -3.863 1.00 50.21 H new ATOM 0 HZ2 LYS A 4 4.539 12.732 -2.835 1.00 50.21 H new ATOM 0 HZ3 LYS A 4 5.450 12.897 -4.258 1.00 50.21 H new ATOM 60 N ILE A 5 1.827 7.442 -7.132 1.00 12.35 N ATOM 61 CA ILE A 5 1.142 6.361 -6.424 1.00 72.14 C ATOM 62 C ILE A 5 1.893 6.072 -5.129 1.00 24.32 C ATOM 63 O ILE A 5 3.121 6.248 -5.044 1.00 60.55 O ATOM 64 CB ILE A 5 1.008 5.047 -7.286 1.00 13.15 C ATOM 65 CG1 ILE A 5 2.402 4.455 -7.646 1.00 61.22 C ATOM 66 CG2 ILE A 5 0.172 5.304 -8.562 1.00 62.53 C ATOM 67 CD1 ILE A 5 2.355 3.184 -8.468 1.00 14.31 C ATOM 0 H ILE A 5 2.832 7.297 -7.226 1.00 12.35 H new ATOM 0 HA ILE A 5 0.125 6.690 -6.213 1.00 72.14 H new ATOM 0 HB ILE A 5 0.484 4.309 -6.679 1.00 13.15 H new ATOM 0 HG12 ILE A 5 2.970 5.206 -8.195 1.00 61.22 H new ATOM 0 HG13 ILE A 5 2.946 4.255 -6.723 1.00 61.22 H new ATOM 0 HG21 ILE A 5 0.095 4.382 -9.138 1.00 62.53 H new ATOM 0 HG22 ILE A 5 -0.826 5.641 -8.281 1.00 62.53 H new ATOM 0 HG23 ILE A 5 0.657 6.070 -9.167 1.00 62.53 H new ATOM 0 HD11 ILE A 5 3.371 2.844 -8.671 1.00 14.31 H new ATOM 0 HD12 ILE A 5 1.818 2.413 -7.915 1.00 14.31 H new ATOM 0 HD13 ILE A 5 1.842 3.379 -9.410 1.00 14.31 H new ATOM 79 N ILE A 6 1.152 5.659 -4.116 1.00 3.24 N ATOM 80 CA ILE A 6 1.713 5.235 -2.844 1.00 11.51 C ATOM 81 C ILE A 6 1.463 3.737 -2.713 1.00 71.41 C ATOM 82 O ILE A 6 0.407 3.246 -3.107 1.00 24.51 O ATOM 83 CB ILE A 6 1.077 5.994 -1.624 1.00 70.31 C ATOM 84 CG1 ILE A 6 1.172 7.549 -1.781 1.00 62.05 C ATOM 85 CG2 ILE A 6 1.722 5.536 -0.301 1.00 32.55 C ATOM 86 CD1 ILE A 6 2.571 8.143 -1.819 1.00 21.25 C ATOM 0 H ILE A 6 0.134 5.608 -4.153 1.00 3.24 H new ATOM 0 HA ILE A 6 2.778 5.467 -2.830 1.00 11.51 H new ATOM 0 HB ILE A 6 0.018 5.739 -1.602 1.00 70.31 H new ATOM 0 HG12 ILE A 6 0.657 7.831 -2.699 1.00 62.05 H new ATOM 0 HG13 ILE A 6 0.628 8.009 -0.956 1.00 62.05 H new ATOM 0 HG21 ILE A 6 1.267 6.074 0.531 1.00 32.55 H new ATOM 0 HG22 ILE A 6 1.564 4.465 -0.171 1.00 32.55 H new ATOM 0 HG23 ILE A 6 2.792 5.744 -0.326 1.00 32.55 H new ATOM 0 HD11 ILE A 6 2.504 9.225 -1.930 1.00 21.25 H new ATOM 0 HD12 ILE A 6 3.093 7.905 -0.892 1.00 21.25 H new ATOM 0 HD13 ILE A 6 3.121 7.725 -2.662 1.00 21.25 H new ATOM 98 N VAL A 7 2.436 3.021 -2.167 1.00 74.33 N ATOM 99 CA VAL A 7 2.320 1.600 -1.871 1.00 14.42 C ATOM 100 C VAL A 7 2.408 1.439 -0.356 1.00 44.52 C ATOM 101 O VAL A 7 3.445 1.738 0.250 1.00 62.24 O ATOM 102 CB VAL A 7 3.410 0.733 -2.601 1.00 4.04 C ATOM 103 CG1 VAL A 7 3.274 -0.755 -2.219 1.00 34.23 C ATOM 104 CG2 VAL A 7 3.327 0.920 -4.136 1.00 21.25 C ATOM 0 H VAL A 7 3.341 3.417 -1.914 1.00 74.33 H new ATOM 0 HA VAL A 7 1.364 1.233 -2.245 1.00 14.42 H new ATOM 0 HB VAL A 7 4.391 1.077 -2.273 1.00 4.04 H new ATOM 0 HG11 VAL A 7 4.039 -1.335 -2.736 1.00 34.23 H new ATOM 0 HG12 VAL A 7 3.400 -0.867 -1.142 1.00 34.23 H new ATOM 0 HG13 VAL A 7 2.287 -1.116 -2.508 1.00 34.23 H new ATOM 0 HG21 VAL A 7 4.091 0.310 -4.619 1.00 21.25 H new ATOM 0 HG22 VAL A 7 2.342 0.613 -4.487 1.00 21.25 H new ATOM 0 HG23 VAL A 7 3.490 1.969 -4.384 1.00 21.25 H new ATOM 114 N ILE A 8 1.301 0.994 0.249 1.00 22.30 N ATOM 115 CA ILE A 8 1.173 0.853 1.694 1.00 11.14 C ATOM 116 C ILE A 8 1.158 -0.635 2.035 1.00 70.21 C ATOM 117 O ILE A 8 0.360 -1.406 1.506 1.00 54.31 O ATOM 118 CB ILE A 8 -0.101 1.591 2.251 1.00 33.23 C ATOM 119 CG1 ILE A 8 0.015 3.124 1.974 1.00 4.01 C ATOM 120 CG2 ILE A 8 -0.303 1.301 3.760 1.00 40.01 C ATOM 121 CD1 ILE A 8 -1.101 3.984 2.535 1.00 44.53 C ATOM 0 H ILE A 8 0.462 0.720 -0.262 1.00 22.30 H new ATOM 0 HA ILE A 8 2.026 1.330 2.177 1.00 11.14 H new ATOM 0 HB ILE A 8 -0.982 1.211 1.734 1.00 33.23 H new ATOM 0 HG12 ILE A 8 0.961 3.477 2.384 1.00 4.01 H new ATOM 0 HG13 ILE A 8 0.058 3.277 0.896 1.00 4.01 H new ATOM 0 HG21 ILE A 8 -1.191 1.824 4.115 1.00 40.01 H new ATOM 0 HG22 ILE A 8 -0.429 0.229 3.911 1.00 40.01 H new ATOM 0 HG23 ILE A 8 0.569 1.645 4.317 1.00 40.01 H new ATOM 0 HD11 ILE A 8 -0.917 5.028 2.283 1.00 44.53 H new ATOM 0 HD12 ILE A 8 -2.053 3.669 2.107 1.00 44.53 H new ATOM 0 HD13 ILE A 8 -1.136 3.873 3.619 1.00 44.53 H new ATOM 133 N ILE A 9 2.051 -1.002 2.930 1.00 10.04 N ATOM 134 CA ILE A 9 2.324 -2.373 3.312 1.00 62.44 C ATOM 135 C ILE A 9 1.599 -2.618 4.641 1.00 61.35 C ATOM 136 O ILE A 9 2.041 -2.134 5.690 1.00 31.53 O ATOM 137 CB ILE A 9 3.879 -2.670 3.437 1.00 14.24 C ATOM 138 CG1 ILE A 9 4.617 -2.599 2.046 1.00 41.43 C ATOM 139 CG2 ILE A 9 4.141 -4.040 4.119 1.00 44.22 C ATOM 140 CD1 ILE A 9 4.813 -1.211 1.438 1.00 52.23 C ATOM 0 H ILE A 9 2.629 -0.328 3.431 1.00 10.04 H new ATOM 0 HA ILE A 9 1.964 -3.052 2.539 1.00 62.44 H new ATOM 0 HB ILE A 9 4.293 -1.884 4.068 1.00 14.24 H new ATOM 0 HG12 ILE A 9 5.597 -3.062 2.158 1.00 41.43 H new ATOM 0 HG13 ILE A 9 4.058 -3.206 1.334 1.00 41.43 H new ATOM 0 HG21 ILE A 9 5.215 -4.212 4.189 1.00 44.22 H new ATOM 0 HG22 ILE A 9 3.708 -4.037 5.119 1.00 44.22 H new ATOM 0 HG23 ILE A 9 3.684 -4.834 3.528 1.00 44.22 H new ATOM 0 HD11 ILE A 9 5.332 -1.302 0.484 1.00 52.23 H new ATOM 0 HD12 ILE A 9 3.842 -0.743 1.279 1.00 52.23 H new ATOM 0 HD13 ILE A 9 5.405 -0.597 2.116 1.00 52.23 H new ATOM 152 N SER A 10 0.463 -3.325 4.570 1.00 3.10 N ATOM 153 CA SER A 10 -0.360 -3.623 5.744 1.00 34.12 C ATOM 154 C SER A 10 0.354 -4.682 6.589 1.00 42.02 C ATOM 155 O SER A 10 0.779 -5.720 6.065 1.00 32.21 O ATOM 156 CB SER A 10 -1.753 -4.115 5.321 1.00 53.24 C ATOM 157 OG SER A 10 -2.506 -4.580 6.436 1.00 64.23 O ATOM 0 H SER A 10 0.092 -3.704 3.699 1.00 3.10 H new ATOM 0 HA SER A 10 -0.497 -2.716 6.333 1.00 34.12 H new ATOM 0 HB2 SER A 10 -2.292 -3.305 4.830 1.00 53.24 H new ATOM 0 HB3 SER A 10 -1.650 -4.918 4.591 1.00 53.24 H new ATOM 0 HG SER A 10 -3.451 -4.351 6.311 1.00 64.23 H new ATOM 163 N SER A 11 0.459 -4.423 7.890 1.00 43.14 N ATOM 164 CA SER A 11 1.273 -5.213 8.810 1.00 31.44 C ATOM 165 C SER A 11 0.485 -5.409 10.124 1.00 73.32 C ATOM 166 O SER A 11 0.663 -4.657 11.095 1.00 22.34 O ATOM 167 CB SER A 11 2.649 -4.518 9.020 1.00 73.11 C ATOM 168 OG SER A 11 2.494 -3.134 9.309 1.00 11.44 O ATOM 0 H SER A 11 -0.026 -3.647 8.341 1.00 43.14 H new ATOM 0 HA SER A 11 1.483 -6.201 8.401 1.00 31.44 H new ATOM 0 HB2 SER A 11 3.183 -5.004 9.837 1.00 73.11 H new ATOM 0 HB3 SER A 11 3.259 -4.638 8.125 1.00 73.11 H new ATOM 0 HG SER A 11 1.815 -3.020 10.007 1.00 11.44 H new ATOM 174 N ASP A 12 -0.460 -6.387 10.073 1.00 32.00 N ATOM 175 CA ASP A 12 -1.369 -6.785 11.182 1.00 3.15 C ATOM 176 C ASP A 12 -2.525 -5.777 11.383 1.00 20.31 C ATOM 177 O ASP A 12 -3.694 -6.127 11.221 1.00 71.55 O ATOM 178 CB ASP A 12 -0.615 -7.047 12.529 1.00 11.42 C ATOM 179 CG ASP A 12 0.299 -8.290 12.494 1.00 40.54 C ATOM 180 OD1 ASP A 12 1.313 -8.266 11.768 1.00 12.32 O ATOM 181 OD2 ASP A 12 0.012 -9.285 13.195 1.00 64.23 O ATOM 0 H ASP A 12 -0.615 -6.939 9.229 1.00 32.00 H new ATOM 0 HA ASP A 12 -1.805 -7.735 10.872 1.00 3.15 H new ATOM 0 HB2 ASP A 12 -0.014 -6.172 12.776 1.00 11.42 H new ATOM 0 HB3 ASP A 12 -1.347 -7.167 13.328 1.00 11.42 H new ATOM 186 N ASP A 13 -2.186 -4.533 11.728 1.00 63.52 N ATOM 187 CA ASP A 13 -3.169 -3.485 12.090 1.00 3.23 C ATOM 188 C ASP A 13 -3.778 -2.821 10.827 1.00 55.43 C ATOM 189 O ASP A 13 -3.186 -2.887 9.744 1.00 71.52 O ATOM 190 CB ASP A 13 -2.467 -2.451 13.006 1.00 42.12 C ATOM 191 CG ASP A 13 -3.443 -1.505 13.725 1.00 1.30 C ATOM 192 OD1 ASP A 13 -3.899 -1.834 14.844 1.00 21.52 O ATOM 193 OD2 ASP A 13 -3.763 -0.432 13.182 1.00 11.31 O ATOM 0 H ASP A 13 -1.218 -4.213 11.767 1.00 63.52 H new ATOM 0 HA ASP A 13 -4.004 -3.933 12.629 1.00 3.23 H new ATOM 0 HB2 ASP A 13 -1.873 -2.981 13.750 1.00 42.12 H new ATOM 0 HB3 ASP A 13 -1.774 -1.859 12.408 1.00 42.12 H new ATOM 198 N THR A 14 -4.960 -2.179 10.983 1.00 53.52 N ATOM 199 CA THR A 14 -5.793 -1.698 9.855 1.00 1.23 C ATOM 200 C THR A 14 -5.634 -0.169 9.582 1.00 44.44 C ATOM 201 O THR A 14 -6.082 0.333 8.529 1.00 63.21 O ATOM 202 CB THR A 14 -7.303 -2.064 10.122 1.00 52.24 C ATOM 203 OG1 THR A 14 -7.397 -3.425 10.581 1.00 44.34 O ATOM 204 CG2 THR A 14 -8.197 -1.917 8.875 1.00 31.02 C ATOM 0 H THR A 14 -5.364 -1.979 11.898 1.00 53.52 H new ATOM 0 HA THR A 14 -5.442 -2.202 8.954 1.00 1.23 H new ATOM 0 HB THR A 14 -7.659 -1.360 10.874 1.00 52.24 H new ATOM 0 HG1 THR A 14 -8.336 -3.650 10.748 1.00 44.34 H new ATOM 0 HG21 THR A 14 -9.223 -2.184 9.129 1.00 31.02 H new ATOM 0 HG22 THR A 14 -8.167 -0.885 8.525 1.00 31.02 H new ATOM 0 HG23 THR A 14 -7.834 -2.577 8.087 1.00 31.02 H new ATOM 212 N THR A 15 -4.987 0.578 10.511 1.00 72.02 N ATOM 213 CA THR A 15 -4.797 2.046 10.372 1.00 3.13 C ATOM 214 C THR A 15 -4.025 2.438 9.081 1.00 54.24 C ATOM 215 O THR A 15 -4.261 3.504 8.500 1.00 61.14 O ATOM 216 CB THR A 15 -4.101 2.656 11.636 1.00 34.02 C ATOM 217 OG1 THR A 15 -4.819 2.257 12.815 1.00 23.31 O ATOM 218 CG2 THR A 15 -4.037 4.197 11.610 1.00 64.40 C ATOM 0 H THR A 15 -4.588 0.189 11.365 1.00 72.02 H new ATOM 0 HA THR A 15 -5.797 2.471 10.286 1.00 3.13 H new ATOM 0 HB THR A 15 -3.078 2.280 11.640 1.00 34.02 H new ATOM 0 HG1 THR A 15 -4.559 1.345 13.063 1.00 23.31 H new ATOM 0 HG21 THR A 15 -3.544 4.556 12.513 1.00 64.40 H new ATOM 0 HG22 THR A 15 -3.474 4.523 10.735 1.00 64.40 H new ATOM 0 HG23 THR A 15 -5.048 4.602 11.563 1.00 64.40 H new ATOM 226 N LEU A 16 -3.179 1.525 8.605 1.00 45.13 N ATOM 227 CA LEU A 16 -2.294 1.764 7.450 1.00 14.31 C ATOM 228 C LEU A 16 -3.134 1.927 6.155 1.00 71.53 C ATOM 229 O LEU A 16 -2.952 2.886 5.387 1.00 44.01 O ATOM 230 CB LEU A 16 -1.252 0.611 7.300 1.00 41.14 C ATOM 231 CG LEU A 16 -0.289 0.353 8.524 1.00 73.22 C ATOM 232 CD1 LEU A 16 -0.975 -0.450 9.655 1.00 74.25 C ATOM 233 CD2 LEU A 16 1.021 -0.331 8.078 1.00 74.15 C ATOM 0 H LEU A 16 -3.083 0.592 9.007 1.00 45.13 H new ATOM 0 HA LEU A 16 -1.743 2.689 7.621 1.00 14.31 H new ATOM 0 HB2 LEU A 16 -1.795 -0.312 7.095 1.00 41.14 H new ATOM 0 HB3 LEU A 16 -0.638 0.821 6.424 1.00 41.14 H new ATOM 0 HG LEU A 16 -0.038 1.332 8.933 1.00 73.22 H new ATOM 0 HD11 LEU A 16 -0.271 -0.601 10.473 1.00 74.25 H new ATOM 0 HD12 LEU A 16 -1.841 0.102 10.019 1.00 74.25 H new ATOM 0 HD13 LEU A 16 -1.297 -1.418 9.270 1.00 74.25 H new ATOM 0 HD21 LEU A 16 1.660 -0.494 8.946 1.00 74.15 H new ATOM 0 HD22 LEU A 16 0.791 -1.289 7.612 1.00 74.15 H new ATOM 0 HD23 LEU A 16 1.538 0.306 7.361 1.00 74.15 H new ATOM 245 N GLU A 17 -4.089 1.003 5.971 1.00 35.11 N ATOM 246 CA GLU A 17 -4.937 0.920 4.761 1.00 32.53 C ATOM 247 C GLU A 17 -6.187 1.824 4.841 1.00 74.45 C ATOM 248 O GLU A 17 -6.784 2.126 3.796 1.00 71.25 O ATOM 249 CB GLU A 17 -5.359 -0.548 4.488 1.00 52.44 C ATOM 250 CG GLU A 17 -5.972 -1.298 5.699 1.00 21.11 C ATOM 251 CD GLU A 17 -5.017 -2.306 6.357 1.00 3.55 C ATOM 252 OE1 GLU A 17 -3.991 -1.876 6.941 1.00 24.15 O ATOM 253 OE2 GLU A 17 -5.293 -3.529 6.296 1.00 15.14 O ATOM 0 H GLU A 17 -4.300 0.283 6.662 1.00 35.11 H new ATOM 0 HA GLU A 17 -4.330 1.284 3.932 1.00 32.53 H new ATOM 0 HB2 GLU A 17 -6.083 -0.555 3.673 1.00 52.44 H new ATOM 0 HB3 GLU A 17 -4.486 -1.102 4.143 1.00 52.44 H new ATOM 0 HG2 GLU A 17 -6.284 -0.568 6.446 1.00 21.11 H new ATOM 0 HG3 GLU A 17 -6.869 -1.823 5.372 1.00 21.11 H new ATOM 260 N GLU A 18 -6.619 2.232 6.059 1.00 11.34 N ATOM 261 CA GLU A 18 -7.710 3.235 6.180 1.00 52.13 C ATOM 262 C GLU A 18 -7.164 4.633 5.808 1.00 75.32 C ATOM 263 O GLU A 18 -7.874 5.444 5.200 1.00 25.01 O ATOM 264 CB GLU A 18 -8.355 3.254 7.596 1.00 35.41 C ATOM 265 CG GLU A 18 -7.452 3.811 8.707 1.00 55.01 C ATOM 266 CD GLU A 18 -8.122 3.893 10.085 1.00 21.01 C ATOM 267 OE1 GLU A 18 -8.118 2.890 10.826 1.00 41.24 O ATOM 268 OE2 GLU A 18 -8.645 4.973 10.433 1.00 23.32 O ATOM 0 H GLU A 18 -6.244 1.896 6.946 1.00 11.34 H new ATOM 0 HA GLU A 18 -8.502 2.950 5.487 1.00 52.13 H new ATOM 0 HB2 GLU A 18 -9.268 3.849 7.556 1.00 35.41 H new ATOM 0 HB3 GLU A 18 -8.648 2.238 7.860 1.00 35.41 H new ATOM 0 HG2 GLU A 18 -6.563 3.184 8.785 1.00 55.01 H new ATOM 0 HG3 GLU A 18 -7.115 4.807 8.420 1.00 55.01 H new ATOM 275 N LEU A 19 -5.883 4.892 6.172 1.00 5.31 N ATOM 276 CA LEU A 19 -5.174 6.125 5.780 1.00 72.05 C ATOM 277 C LEU A 19 -5.017 6.194 4.252 1.00 24.31 C ATOM 278 O LEU A 19 -5.108 7.272 3.682 1.00 24.12 O ATOM 279 CB LEU A 19 -3.794 6.229 6.498 1.00 11.03 C ATOM 280 CG LEU A 19 -3.860 6.611 8.015 1.00 1.11 C ATOM 281 CD1 LEU A 19 -2.484 6.482 8.703 1.00 73.32 C ATOM 282 CD2 LEU A 19 -4.451 8.022 8.200 1.00 34.32 C ATOM 0 H LEU A 19 -5.322 4.256 6.739 1.00 5.31 H new ATOM 0 HA LEU A 19 -5.772 6.980 6.096 1.00 72.05 H new ATOM 0 HB2 LEU A 19 -3.280 5.273 6.402 1.00 11.03 H new ATOM 0 HB3 LEU A 19 -3.187 6.971 5.979 1.00 11.03 H new ATOM 0 HG LEU A 19 -4.526 5.899 8.503 1.00 1.11 H new ATOM 0 HD11 LEU A 19 -2.575 6.756 9.754 1.00 73.32 H new ATOM 0 HD12 LEU A 19 -2.134 5.453 8.626 1.00 73.32 H new ATOM 0 HD13 LEU A 19 -1.770 7.146 8.216 1.00 73.32 H new ATOM 0 HD21 LEU A 19 -4.487 8.265 9.262 1.00 34.32 H new ATOM 0 HD22 LEU A 19 -3.826 8.749 7.682 1.00 34.32 H new ATOM 0 HD23 LEU A 19 -5.459 8.051 7.787 1.00 34.32 H new ATOM 294 N ALA A 20 -4.841 5.021 3.611 1.00 24.32 N ATOM 295 CA ALA A 20 -4.730 4.889 2.142 1.00 53.24 C ATOM 296 C ALA A 20 -5.906 5.554 1.392 1.00 53.33 C ATOM 297 O ALA A 20 -5.722 6.073 0.292 1.00 14.33 O ATOM 298 CB ALA A 20 -4.621 3.408 1.764 1.00 74.22 C ATOM 0 H ALA A 20 -4.771 4.130 4.102 1.00 24.32 H new ATOM 0 HA ALA A 20 -3.827 5.416 1.834 1.00 53.24 H new ATOM 0 HB1 ALA A 20 -4.539 3.314 0.681 1.00 74.22 H new ATOM 0 HB2 ALA A 20 -3.737 2.977 2.233 1.00 74.22 H new ATOM 0 HB3 ALA A 20 -5.509 2.878 2.108 1.00 74.22 H new ATOM 304 N ARG A 21 -7.105 5.534 2.015 1.00 72.44 N ATOM 305 CA ARG A 21 -8.316 6.193 1.478 1.00 23.25 C ATOM 306 C ARG A 21 -8.139 7.725 1.446 1.00 15.42 C ATOM 307 O ARG A 21 -8.534 8.383 0.482 1.00 64.12 O ATOM 308 CB ARG A 21 -9.552 5.799 2.333 1.00 72.24 C ATOM 309 CG ARG A 21 -10.909 6.262 1.761 1.00 62.12 C ATOM 310 CD ARG A 21 -12.104 5.838 2.633 1.00 30.33 C ATOM 311 NE ARG A 21 -13.399 6.197 2.021 1.00 34.02 N ATOM 312 CZ ARG A 21 -14.609 5.921 2.544 1.00 24.34 C ATOM 313 NH1 ARG A 21 -14.723 5.272 3.704 1.00 61.41 N ATOM 314 NH2 ARG A 21 -15.705 6.295 1.899 1.00 4.10 N ATOM 0 H ARG A 21 -7.260 5.060 2.905 1.00 72.44 H new ATOM 0 HA ARG A 21 -8.474 5.855 0.454 1.00 23.25 H new ATOM 0 HB2 ARG A 21 -9.570 4.715 2.442 1.00 72.24 H new ATOM 0 HB3 ARG A 21 -9.433 6.217 3.332 1.00 72.24 H new ATOM 0 HG2 ARG A 21 -10.905 7.348 1.663 1.00 62.12 H new ATOM 0 HG3 ARG A 21 -11.034 5.852 0.759 1.00 62.12 H new ATOM 0 HD2 ARG A 21 -12.068 4.761 2.796 1.00 30.33 H new ATOM 0 HD3 ARG A 21 -12.023 6.312 3.611 1.00 30.33 H new ATOM 0 HE ARG A 21 -13.375 6.694 1.131 1.00 34.02 H new ATOM 0 HH11 ARG A 21 -13.887 4.977 4.208 1.00 61.41 H new ATOM 0 HH12 ARG A 21 -15.647 5.070 4.087 1.00 61.41 H new ATOM 0 HH21 ARG A 21 -15.630 6.790 1.010 1.00 4.10 H new ATOM 0 HH22 ARG A 21 -16.623 6.088 2.291 1.00 4.10 H new ATOM 328 N LYS A 22 -7.504 8.260 2.507 1.00 13.14 N ATOM 329 CA LYS A 22 -7.230 9.702 2.657 1.00 45.43 C ATOM 330 C LYS A 22 -6.140 10.153 1.656 1.00 2.30 C ATOM 331 O LYS A 22 -6.192 11.275 1.142 1.00 22.12 O ATOM 332 CB LYS A 22 -6.788 10.019 4.116 1.00 12.22 C ATOM 333 CG LYS A 22 -7.768 9.548 5.226 1.00 1.31 C ATOM 334 CD LYS A 22 -9.168 10.203 5.143 1.00 1.23 C ATOM 335 CE LYS A 22 -9.139 11.729 5.352 1.00 2.33 C ATOM 336 NZ LYS A 22 -8.752 12.115 6.733 1.00 31.53 N ATOM 0 H LYS A 22 -7.165 7.700 3.289 1.00 13.14 H new ATOM 0 HA LYS A 22 -8.146 10.252 2.442 1.00 45.43 H new ATOM 0 HB2 LYS A 22 -5.817 9.556 4.292 1.00 12.22 H new ATOM 0 HB3 LYS A 22 -6.650 11.096 4.210 1.00 12.22 H new ATOM 0 HG2 LYS A 22 -7.879 8.466 5.164 1.00 1.31 H new ATOM 0 HG3 LYS A 22 -7.331 9.768 6.200 1.00 1.31 H new ATOM 0 HD2 LYS A 22 -9.607 9.985 4.169 1.00 1.23 H new ATOM 0 HD3 LYS A 22 -9.818 9.753 5.894 1.00 1.23 H new ATOM 0 HE2 LYS A 22 -8.438 12.174 4.646 1.00 2.33 H new ATOM 0 HE3 LYS A 22 -10.123 12.140 5.127 1.00 2.33 H new ATOM 0 HZ1 LYS A 22 -8.766 13.151 6.821 1.00 31.53 H new ATOM 0 HZ2 LYS A 22 -9.424 11.701 7.410 1.00 31.53 H new ATOM 0 HZ3 LYS A 22 -7.795 11.763 6.936 1.00 31.53 H new ATOM 350 N ILE A 23 -5.151 9.262 1.409 1.00 60.35 N ATOM 351 CA ILE A 23 -4.078 9.486 0.418 1.00 13.42 C ATOM 352 C ILE A 23 -4.650 9.597 -1.006 1.00 15.05 C ATOM 353 O ILE A 23 -4.398 10.587 -1.696 1.00 12.45 O ATOM 354 CB ILE A 23 -2.959 8.354 0.483 1.00 73.22 C ATOM 355 CG1 ILE A 23 -1.928 8.624 1.621 1.00 22.04 C ATOM 356 CG2 ILE A 23 -2.205 8.173 -0.859 1.00 42.13 C ATOM 357 CD1 ILE A 23 -2.443 8.505 3.034 1.00 23.14 C ATOM 0 H ILE A 23 -5.077 8.367 1.893 1.00 60.35 H new ATOM 0 HA ILE A 23 -3.604 10.433 0.675 1.00 13.42 H new ATOM 0 HB ILE A 23 -3.496 7.430 0.696 1.00 73.22 H new ATOM 0 HG12 ILE A 23 -1.097 7.930 1.501 1.00 22.04 H new ATOM 0 HG13 ILE A 23 -1.526 9.628 1.487 1.00 22.04 H new ATOM 0 HG21 ILE A 23 -1.456 7.389 -0.752 1.00 42.13 H new ATOM 0 HG22 ILE A 23 -2.913 7.895 -1.640 1.00 42.13 H new ATOM 0 HG23 ILE A 23 -1.715 9.108 -1.130 1.00 42.13 H new ATOM 0 HD11 ILE A 23 -1.635 8.715 3.735 1.00 23.14 H new ATOM 0 HD12 ILE A 23 -3.252 9.219 3.188 1.00 23.14 H new ATOM 0 HD13 ILE A 23 -2.815 7.494 3.202 1.00 23.14 H new ATOM 369 N LYS A 24 -5.417 8.574 -1.446 1.00 3.34 N ATOM 370 CA LYS A 24 -5.969 8.557 -2.816 1.00 53.52 C ATOM 371 C LYS A 24 -7.011 9.664 -3.028 1.00 33.41 C ATOM 372 O LYS A 24 -7.226 10.099 -4.165 1.00 72.51 O ATOM 373 CB LYS A 24 -6.551 7.177 -3.199 1.00 1.23 C ATOM 374 CG LYS A 24 -7.675 6.629 -2.300 1.00 64.11 C ATOM 375 CD LYS A 24 -8.402 5.438 -2.968 1.00 72.34 C ATOM 376 CE LYS A 24 -7.457 4.288 -3.376 1.00 64.31 C ATOM 377 NZ LYS A 24 -8.101 3.374 -4.352 1.00 20.41 N ATOM 0 H LYS A 24 -5.664 7.762 -0.881 1.00 3.34 H new ATOM 0 HA LYS A 24 -5.130 8.754 -3.483 1.00 53.52 H new ATOM 0 HB2 LYS A 24 -6.930 7.238 -4.219 1.00 1.23 H new ATOM 0 HB3 LYS A 24 -5.736 6.453 -3.205 1.00 1.23 H new ATOM 0 HG2 LYS A 24 -7.257 6.312 -1.344 1.00 64.11 H new ATOM 0 HG3 LYS A 24 -8.392 7.422 -2.087 1.00 64.11 H new ATOM 0 HD2 LYS A 24 -9.156 5.052 -2.282 1.00 72.34 H new ATOM 0 HD3 LYS A 24 -8.930 5.795 -3.853 1.00 72.34 H new ATOM 0 HE2 LYS A 24 -6.546 4.701 -3.809 1.00 64.31 H new ATOM 0 HE3 LYS A 24 -7.162 3.726 -2.490 1.00 64.31 H new ATOM 0 HZ1 LYS A 24 -8.344 2.479 -3.881 1.00 20.41 H new ATOM 0 HZ2 LYS A 24 -8.966 3.816 -4.723 1.00 20.41 H new ATOM 0 HZ3 LYS A 24 -7.445 3.186 -5.137 1.00 20.41 H new ATOM 391 N ASP A 25 -7.620 10.127 -1.920 1.00 20.25 N ATOM 392 CA ASP A 25 -8.583 11.247 -1.916 1.00 4.44 C ATOM 393 C ASP A 25 -7.923 12.550 -2.420 1.00 25.30 C ATOM 394 O ASP A 25 -8.595 13.413 -2.994 1.00 25.43 O ATOM 395 CB ASP A 25 -9.160 11.437 -0.492 1.00 11.04 C ATOM 396 CG ASP A 25 -10.298 12.469 -0.430 1.00 44.35 C ATOM 397 OD1 ASP A 25 -11.443 12.132 -0.804 1.00 12.12 O ATOM 398 OD2 ASP A 25 -10.062 13.619 -0.010 1.00 31.15 O ATOM 0 H ASP A 25 -7.457 9.732 -0.994 1.00 20.25 H new ATOM 0 HA ASP A 25 -9.399 11.007 -2.598 1.00 4.44 H new ATOM 0 HB2 ASP A 25 -9.528 10.479 -0.126 1.00 11.04 H new ATOM 0 HB3 ASP A 25 -8.359 11.749 0.178 1.00 11.04 H new ATOM 403 N GLU A 26 -6.588 12.656 -2.228 1.00 2.25 N ATOM 404 CA GLU A 26 -5.789 13.823 -2.663 1.00 42.22 C ATOM 405 C GLU A 26 -5.614 13.871 -4.208 1.00 73.25 C ATOM 406 O GLU A 26 -5.039 14.824 -4.738 1.00 33.03 O ATOM 407 CB GLU A 26 -4.405 13.805 -1.956 1.00 3.01 C ATOM 408 CG GLU A 26 -4.451 13.810 -0.409 1.00 54.01 C ATOM 409 CD GLU A 26 -5.058 15.094 0.183 1.00 43.04 C ATOM 410 OE1 GLU A 26 -4.468 16.175 -0.010 1.00 53.43 O ATOM 411 OE2 GLU A 26 -6.123 15.042 0.837 1.00 31.12 O ATOM 0 H GLU A 26 -6.035 11.934 -1.767 1.00 2.25 H new ATOM 0 HA GLU A 26 -6.331 14.724 -2.377 1.00 42.22 H new ATOM 0 HB2 GLU A 26 -3.860 12.920 -2.284 1.00 3.01 H new ATOM 0 HB3 GLU A 26 -3.834 14.672 -2.289 1.00 3.01 H new ATOM 0 HG2 GLU A 26 -5.031 12.953 -0.068 1.00 54.01 H new ATOM 0 HG3 GLU A 26 -3.439 13.684 -0.023 1.00 54.01 H new ATOM 418 N GLY A 27 -6.089 12.826 -4.918 1.00 51.14 N ATOM 419 CA GLY A 27 -6.121 12.815 -6.392 1.00 71.22 C ATOM 420 C GLY A 27 -5.014 11.984 -7.029 1.00 11.13 C ATOM 421 O GLY A 27 -4.579 12.264 -8.154 1.00 20.13 O ATOM 0 H GLY A 27 -6.457 11.976 -4.490 1.00 51.14 H new ATOM 0 HA2 GLY A 27 -7.086 12.430 -6.722 1.00 71.22 H new ATOM 0 HA3 GLY A 27 -6.046 13.840 -6.755 1.00 71.22 H new ATOM 425 N LEU A 28 -4.536 10.969 -6.296 1.00 72.33 N ATOM 426 CA LEU A 28 -3.579 9.959 -6.806 1.00 24.40 C ATOM 427 C LEU A 28 -4.107 8.540 -6.515 1.00 0.31 C ATOM 428 O LEU A 28 -5.169 8.392 -5.910 1.00 0.22 O ATOM 429 CB LEU A 28 -2.170 10.165 -6.190 1.00 35.30 C ATOM 430 CG LEU A 28 -2.074 10.165 -4.625 1.00 30.13 C ATOM 431 CD1 LEU A 28 -0.679 9.720 -4.142 1.00 3.52 C ATOM 432 CD2 LEU A 28 -2.422 11.556 -4.048 1.00 60.42 C ATOM 0 H LEU A 28 -4.801 10.819 -5.323 1.00 72.33 H new ATOM 0 HA LEU A 28 -3.486 10.082 -7.885 1.00 24.40 H new ATOM 0 HB2 LEU A 28 -1.515 9.381 -6.570 1.00 35.30 H new ATOM 0 HB3 LEU A 28 -1.776 11.114 -6.554 1.00 35.30 H new ATOM 0 HG LEU A 28 -2.804 9.444 -4.257 1.00 30.13 H new ATOM 0 HD11 LEU A 28 -0.650 9.732 -3.052 1.00 3.52 H new ATOM 0 HD12 LEU A 28 -0.475 8.710 -4.499 1.00 3.52 H new ATOM 0 HD13 LEU A 28 0.076 10.402 -4.533 1.00 3.52 H new ATOM 0 HD21 LEU A 28 -2.348 11.528 -2.961 1.00 60.42 H new ATOM 0 HD22 LEU A 28 -1.726 12.297 -4.440 1.00 60.42 H new ATOM 0 HD23 LEU A 28 -3.438 11.825 -4.335 1.00 60.42 H new ATOM 444 N GLU A 29 -3.391 7.497 -6.983 1.00 34.32 N ATOM 445 CA GLU A 29 -3.759 6.085 -6.714 1.00 13.01 C ATOM 446 C GLU A 29 -2.924 5.491 -5.551 1.00 64.23 C ATOM 447 O GLU A 29 -1.849 5.997 -5.222 1.00 30.13 O ATOM 448 CB GLU A 29 -3.566 5.250 -8.013 1.00 32.42 C ATOM 449 CG GLU A 29 -4.060 3.785 -7.952 1.00 50.35 C ATOM 450 CD GLU A 29 -5.578 3.670 -7.713 1.00 74.04 C ATOM 451 OE1 GLU A 29 -6.005 3.654 -6.537 1.00 55.53 O ATOM 452 OE2 GLU A 29 -6.348 3.619 -8.699 1.00 30.30 O ATOM 0 H GLU A 29 -2.551 7.603 -7.552 1.00 34.32 H new ATOM 0 HA GLU A 29 -4.805 6.048 -6.409 1.00 13.01 H new ATOM 0 HB2 GLU A 29 -4.085 5.755 -8.827 1.00 32.42 H new ATOM 0 HB3 GLU A 29 -2.506 5.246 -8.265 1.00 32.42 H new ATOM 0 HG2 GLU A 29 -3.806 3.283 -8.885 1.00 50.35 H new ATOM 0 HG3 GLU A 29 -3.532 3.262 -7.155 1.00 50.35 H new ATOM 459 N VAL A 30 -3.460 4.419 -4.918 1.00 64.30 N ATOM 460 CA VAL A 30 -2.752 3.607 -3.903 1.00 51.20 C ATOM 461 C VAL A 30 -2.728 2.123 -4.345 1.00 3.14 C ATOM 462 O VAL A 30 -3.606 1.669 -5.084 1.00 63.30 O ATOM 463 CB VAL A 30 -3.426 3.725 -2.474 1.00 55.10 C ATOM 464 CG1 VAL A 30 -2.627 2.961 -1.384 1.00 23.22 C ATOM 465 CG2 VAL A 30 -3.604 5.192 -2.068 1.00 2.13 C ATOM 0 H VAL A 30 -4.408 4.091 -5.102 1.00 64.30 H new ATOM 0 HA VAL A 30 -1.735 3.991 -3.824 1.00 51.20 H new ATOM 0 HB VAL A 30 -4.408 3.259 -2.552 1.00 55.10 H new ATOM 0 HG11 VAL A 30 -3.127 3.071 -0.422 1.00 23.22 H new ATOM 0 HG12 VAL A 30 -2.573 1.904 -1.646 1.00 23.22 H new ATOM 0 HG13 VAL A 30 -1.619 3.371 -1.317 1.00 23.22 H new ATOM 0 HG21 VAL A 30 -4.069 5.243 -1.083 1.00 2.13 H new ATOM 0 HG22 VAL A 30 -2.631 5.681 -2.036 1.00 2.13 H new ATOM 0 HG23 VAL A 30 -4.240 5.696 -2.796 1.00 2.13 H new ATOM 475 N TYR A 31 -1.693 1.402 -3.905 1.00 0.11 N ATOM 476 CA TYR A 31 -1.567 -0.059 -4.020 1.00 41.54 C ATOM 477 C TYR A 31 -1.205 -0.587 -2.633 1.00 2.23 C ATOM 478 O TYR A 31 -0.338 -0.020 -1.976 1.00 0.30 O ATOM 479 CB TYR A 31 -0.470 -0.445 -5.051 1.00 1.20 C ATOM 480 CG TYR A 31 -0.822 -0.086 -6.503 1.00 33.00 C ATOM 481 CD1 TYR A 31 -0.499 1.163 -7.046 1.00 65.02 C ATOM 482 CD2 TYR A 31 -1.491 -0.996 -7.330 1.00 23.03 C ATOM 483 CE1 TYR A 31 -0.833 1.489 -8.347 1.00 1.24 C ATOM 484 CE2 TYR A 31 -1.826 -0.667 -8.629 1.00 10.50 C ATOM 485 CZ TYR A 31 -1.490 0.573 -9.135 1.00 32.14 C ATOM 486 OH TYR A 31 -1.823 0.902 -10.432 1.00 41.20 O ATOM 0 H TYR A 31 -0.891 1.831 -3.443 1.00 0.11 H new ATOM 0 HA TYR A 31 -2.502 -0.495 -4.372 1.00 41.54 H new ATOM 0 HB2 TYR A 31 0.460 0.054 -4.780 1.00 1.20 H new ATOM 0 HB3 TYR A 31 -0.287 -1.518 -4.987 1.00 1.20 H new ATOM 0 HD1 TYR A 31 0.022 1.886 -6.436 1.00 65.02 H new ATOM 0 HD2 TYR A 31 -1.750 -1.972 -6.946 1.00 23.03 H new ATOM 0 HE1 TYR A 31 -0.579 2.461 -8.744 1.00 1.24 H new ATOM 0 HE2 TYR A 31 -2.350 -1.379 -9.249 1.00 10.50 H new ATOM 0 HH TYR A 31 -2.282 0.146 -10.854 1.00 41.20 H new ATOM 496 N ILE A 32 -1.879 -1.635 -2.165 1.00 3.52 N ATOM 497 CA ILE A 32 -1.606 -2.216 -0.838 1.00 3.30 C ATOM 498 C ILE A 32 -0.832 -3.534 -1.021 1.00 62.41 C ATOM 499 O ILE A 32 -1.237 -4.370 -1.824 1.00 11.40 O ATOM 500 CB ILE A 32 -2.938 -2.481 -0.034 1.00 31.22 C ATOM 501 CG1 ILE A 32 -3.855 -1.212 0.035 1.00 61.25 C ATOM 502 CG2 ILE A 32 -2.646 -3.018 1.390 1.00 33.33 C ATOM 503 CD1 ILE A 32 -3.340 -0.071 0.894 1.00 71.41 C ATOM 0 H ILE A 32 -2.622 -2.106 -2.682 1.00 3.52 H new ATOM 0 HA ILE A 32 -1.012 -1.505 -0.263 1.00 3.30 H new ATOM 0 HB ILE A 32 -3.482 -3.248 -0.585 1.00 31.22 H new ATOM 0 HG12 ILE A 32 -4.005 -0.840 -0.978 1.00 61.25 H new ATOM 0 HG13 ILE A 32 -4.832 -1.513 0.412 1.00 61.25 H new ATOM 0 HG21 ILE A 32 -3.586 -3.189 1.914 1.00 33.33 H new ATOM 0 HG22 ILE A 32 -2.094 -3.955 1.319 1.00 33.33 H new ATOM 0 HG23 ILE A 32 -2.052 -2.288 1.939 1.00 33.33 H new ATOM 0 HD11 ILE A 32 -4.053 0.753 0.869 1.00 71.41 H new ATOM 0 HD12 ILE A 32 -3.219 -0.415 1.921 1.00 71.41 H new ATOM 0 HD13 ILE A 32 -2.379 0.269 0.509 1.00 71.41 H new ATOM 515 N LEU A 33 0.301 -3.702 -0.319 1.00 10.52 N ATOM 516 CA LEU A 33 1.002 -4.995 -0.234 1.00 14.41 C ATOM 517 C LEU A 33 0.719 -5.606 1.132 1.00 42.43 C ATOM 518 O LEU A 33 1.199 -5.114 2.155 1.00 72.35 O ATOM 519 CB LEU A 33 2.530 -4.837 -0.480 1.00 54.31 C ATOM 520 CG LEU A 33 2.925 -4.319 -1.894 1.00 11.42 C ATOM 521 CD1 LEU A 33 4.450 -4.324 -2.103 1.00 13.52 C ATOM 522 CD2 LEU A 33 2.202 -5.104 -3.002 1.00 3.12 C ATOM 0 H LEU A 33 0.754 -2.952 0.202 1.00 10.52 H new ATOM 0 HA LEU A 33 0.634 -5.659 -1.016 1.00 14.41 H new ATOM 0 HB2 LEU A 33 2.933 -4.152 0.266 1.00 54.31 H new ATOM 0 HB3 LEU A 33 3.009 -5.802 -0.317 1.00 54.31 H new ATOM 0 HG LEU A 33 2.598 -3.281 -1.958 1.00 11.42 H new ATOM 0 HD11 LEU A 33 4.682 -3.955 -3.102 1.00 13.52 H new ATOM 0 HD12 LEU A 33 4.921 -3.680 -1.360 1.00 13.52 H new ATOM 0 HD13 LEU A 33 4.829 -5.340 -1.994 1.00 13.52 H new ATOM 0 HD21 LEU A 33 2.500 -4.717 -3.976 1.00 3.12 H new ATOM 0 HD22 LEU A 33 2.468 -6.159 -2.934 1.00 3.12 H new ATOM 0 HD23 LEU A 33 1.124 -4.993 -2.882 1.00 3.12 H new ATOM 534 N LEU A 34 -0.091 -6.664 1.142 1.00 32.21 N ATOM 535 CA LEU A 34 -0.555 -7.291 2.379 1.00 51.21 C ATOM 536 C LEU A 34 0.501 -8.310 2.863 1.00 23.02 C ATOM 537 O LEU A 34 0.971 -9.147 2.077 1.00 63.04 O ATOM 538 CB LEU A 34 -1.955 -7.973 2.150 1.00 70.21 C ATOM 539 CG LEU A 34 -3.091 -7.603 3.168 1.00 51.14 C ATOM 540 CD1 LEU A 34 -2.675 -7.841 4.639 1.00 12.21 C ATOM 541 CD2 LEU A 34 -3.576 -6.160 2.955 1.00 52.34 C ATOM 0 H LEU A 34 -0.443 -7.110 0.295 1.00 32.21 H new ATOM 0 HA LEU A 34 -0.682 -6.534 3.153 1.00 51.21 H new ATOM 0 HB2 LEU A 34 -2.299 -7.717 1.148 1.00 70.21 H new ATOM 0 HB3 LEU A 34 -1.815 -9.054 2.173 1.00 70.21 H new ATOM 0 HG LEU A 34 -3.923 -8.278 2.967 1.00 51.14 H new ATOM 0 HD11 LEU A 34 -3.499 -7.568 5.299 1.00 12.21 H new ATOM 0 HD12 LEU A 34 -2.429 -8.893 4.782 1.00 12.21 H new ATOM 0 HD13 LEU A 34 -1.804 -7.229 4.874 1.00 12.21 H new ATOM 0 HD21 LEU A 34 -4.363 -5.931 3.674 1.00 52.34 H new ATOM 0 HD22 LEU A 34 -2.743 -5.471 3.097 1.00 52.34 H new ATOM 0 HD23 LEU A 34 -3.967 -6.053 1.943 1.00 52.34 H new ATOM 553 N LYS A 35 0.878 -8.214 4.154 1.00 3.43 N ATOM 554 CA LYS A 35 1.668 -9.241 4.858 1.00 52.35 C ATOM 555 C LYS A 35 0.982 -9.556 6.211 1.00 22.33 C ATOM 556 O LYS A 35 0.685 -8.651 7.002 1.00 22.41 O ATOM 557 CB LYS A 35 3.155 -8.806 5.060 1.00 55.04 C ATOM 558 CG LYS A 35 3.368 -7.452 5.774 1.00 74.11 C ATOM 559 CD LYS A 35 4.794 -7.277 6.364 1.00 65.24 C ATOM 560 CE LYS A 35 5.918 -7.299 5.313 1.00 71.12 C ATOM 561 NZ LYS A 35 7.262 -7.080 5.935 1.00 74.33 N ATOM 0 H LYS A 35 0.640 -7.414 4.741 1.00 3.43 H new ATOM 0 HA LYS A 35 1.699 -10.142 4.245 1.00 52.35 H new ATOM 0 HB2 LYS A 35 3.666 -9.581 5.631 1.00 55.04 H new ATOM 0 HB3 LYS A 35 3.636 -8.760 4.083 1.00 55.04 H new ATOM 0 HG2 LYS A 35 3.174 -6.644 5.068 1.00 74.11 H new ATOM 0 HG3 LYS A 35 2.637 -7.355 6.577 1.00 74.11 H new ATOM 0 HD2 LYS A 35 4.837 -6.333 6.906 1.00 65.24 H new ATOM 0 HD3 LYS A 35 4.975 -8.070 7.090 1.00 65.24 H new ATOM 0 HE2 LYS A 35 5.910 -8.256 4.792 1.00 71.12 H new ATOM 0 HE3 LYS A 35 5.733 -6.527 4.566 1.00 71.12 H new ATOM 0 HZ1 LYS A 35 7.935 -6.766 5.207 1.00 74.33 H new ATOM 0 HZ2 LYS A 35 7.188 -6.352 6.674 1.00 74.33 H new ATOM 0 HZ3 LYS A 35 7.598 -7.969 6.357 1.00 74.33 H new ATOM 575 N ASP A 36 0.661 -10.840 6.427 1.00 65.11 N ATOM 576 CA ASP A 36 0.034 -11.345 7.671 1.00 75.12 C ATOM 577 C ASP A 36 0.738 -12.651 8.111 1.00 14.31 C ATOM 578 O ASP A 36 1.439 -13.274 7.300 1.00 54.41 O ATOM 579 CB ASP A 36 -1.486 -11.540 7.411 1.00 5.40 C ATOM 580 CG ASP A 36 -2.304 -11.907 8.660 1.00 71.22 C ATOM 581 OD1 ASP A 36 -2.637 -11.009 9.463 1.00 65.54 O ATOM 582 OD2 ASP A 36 -2.614 -13.092 8.855 1.00 53.41 O ATOM 0 H ASP A 36 0.829 -11.572 5.737 1.00 65.11 H new ATOM 0 HA ASP A 36 0.147 -10.633 8.489 1.00 75.12 H new ATOM 0 HB2 ASP A 36 -1.890 -10.622 6.985 1.00 5.40 H new ATOM 0 HB3 ASP A 36 -1.617 -12.323 6.664 1.00 5.40 H new ATOM 587 N LYS A 37 0.564 -13.046 9.391 1.00 23.21 N ATOM 588 CA LYS A 37 1.163 -14.279 9.965 1.00 15.02 C ATOM 589 C LYS A 37 0.564 -15.549 9.323 1.00 55.44 C ATOM 590 O LYS A 37 1.270 -16.537 9.089 1.00 62.03 O ATOM 591 CB LYS A 37 0.958 -14.300 11.508 1.00 60.32 C ATOM 592 CG LYS A 37 1.489 -15.557 12.244 1.00 15.24 C ATOM 593 CD LYS A 37 3.021 -15.753 12.121 1.00 63.13 C ATOM 594 CE LYS A 37 3.507 -17.040 12.812 1.00 2.23 C ATOM 595 NZ LYS A 37 4.981 -17.219 12.688 1.00 72.02 N ATOM 0 H LYS A 37 0.003 -12.519 10.061 1.00 23.21 H new ATOM 0 HA LYS A 37 2.231 -14.272 9.746 1.00 15.02 H new ATOM 0 HB2 LYS A 37 1.445 -13.422 11.932 1.00 60.32 H new ATOM 0 HB3 LYS A 37 -0.108 -14.205 11.715 1.00 60.32 H new ATOM 0 HG2 LYS A 37 1.225 -15.488 13.299 1.00 15.24 H new ATOM 0 HG3 LYS A 37 0.986 -16.439 11.847 1.00 15.24 H new ATOM 0 HD2 LYS A 37 3.297 -15.784 11.067 1.00 63.13 H new ATOM 0 HD3 LYS A 37 3.530 -14.895 12.559 1.00 63.13 H new ATOM 0 HE2 LYS A 37 3.233 -17.011 13.867 1.00 2.23 H new ATOM 0 HE3 LYS A 37 3.000 -17.900 12.375 1.00 2.23 H new ATOM 0 HZ1 LYS A 37 5.266 -18.097 13.167 1.00 72.02 H new ATOM 0 HZ2 LYS A 37 5.241 -17.273 11.682 1.00 72.02 H new ATOM 0 HZ3 LYS A 37 5.467 -16.412 13.128 1.00 72.02 H new ATOM 609 N ASP A 38 -0.740 -15.498 9.039 1.00 63.54 N ATOM 610 CA ASP A 38 -1.508 -16.617 8.465 1.00 73.12 C ATOM 611 C ASP A 38 -2.018 -16.220 7.070 1.00 1.33 C ATOM 612 O ASP A 38 -2.835 -15.308 6.942 1.00 43.34 O ATOM 613 CB ASP A 38 -2.681 -16.977 9.408 1.00 40.35 C ATOM 614 CG ASP A 38 -3.604 -18.069 8.835 1.00 32.52 C ATOM 615 OD1 ASP A 38 -3.225 -19.263 8.871 1.00 52.54 O ATOM 616 OD2 ASP A 38 -4.697 -17.739 8.335 1.00 44.23 O ATOM 0 H ASP A 38 -1.306 -14.665 9.203 1.00 63.54 H new ATOM 0 HA ASP A 38 -0.871 -17.496 8.363 1.00 73.12 H new ATOM 0 HB2 ASP A 38 -2.280 -17.313 10.364 1.00 40.35 H new ATOM 0 HB3 ASP A 38 -3.268 -16.080 9.606 1.00 40.35 H new ATOM 621 N GLU A 39 -1.520 -16.924 6.034 1.00 51.32 N ATOM 622 CA GLU A 39 -1.789 -16.616 4.612 1.00 11.21 C ATOM 623 C GLU A 39 -3.281 -16.737 4.205 1.00 34.34 C ATOM 624 O GLU A 39 -3.668 -16.212 3.156 1.00 75.32 O ATOM 625 CB GLU A 39 -0.896 -17.492 3.692 1.00 70.51 C ATOM 626 CG GLU A 39 0.622 -17.238 3.852 1.00 44.12 C ATOM 627 CD GLU A 39 1.487 -18.072 2.892 1.00 14.14 C ATOM 628 OE1 GLU A 39 1.481 -19.316 3.008 1.00 31.03 O ATOM 629 OE2 GLU A 39 2.179 -17.495 2.022 1.00 10.23 O ATOM 0 H GLU A 39 -0.912 -17.733 6.161 1.00 51.32 H new ATOM 0 HA GLU A 39 -1.535 -15.564 4.481 1.00 11.21 H new ATOM 0 HB2 GLU A 39 -1.101 -18.542 3.899 1.00 70.51 H new ATOM 0 HB3 GLU A 39 -1.176 -17.311 2.654 1.00 70.51 H new ATOM 0 HG2 GLU A 39 0.825 -16.180 3.686 1.00 44.12 H new ATOM 0 HG3 GLU A 39 0.914 -17.461 4.878 1.00 44.12 H new ATOM 636 N LYS A 40 -4.110 -17.394 5.031 1.00 74.24 N ATOM 637 CA LYS A 40 -5.556 -17.560 4.758 1.00 22.04 C ATOM 638 C LYS A 40 -6.305 -16.277 5.179 1.00 75.40 C ATOM 639 O LYS A 40 -7.139 -15.744 4.430 1.00 25.43 O ATOM 640 CB LYS A 40 -6.140 -18.807 5.501 1.00 50.44 C ATOM 641 CG LYS A 40 -5.611 -20.195 5.035 1.00 14.22 C ATOM 642 CD LYS A 40 -4.118 -20.452 5.368 1.00 3.23 C ATOM 643 CE LYS A 40 -3.640 -21.857 4.941 1.00 72.34 C ATOM 644 NZ LYS A 40 -4.263 -22.939 5.750 1.00 20.24 N ATOM 0 H LYS A 40 -3.804 -17.825 5.904 1.00 74.24 H new ATOM 0 HA LYS A 40 -5.691 -17.727 3.689 1.00 22.04 H new ATOM 0 HB2 LYS A 40 -5.931 -18.700 6.565 1.00 50.44 H new ATOM 0 HB3 LYS A 40 -7.224 -18.797 5.387 1.00 50.44 H new ATOM 0 HG2 LYS A 40 -6.214 -20.975 5.499 1.00 14.22 H new ATOM 0 HG3 LYS A 40 -5.751 -20.281 3.958 1.00 14.22 H new ATOM 0 HD2 LYS A 40 -3.506 -19.699 4.872 1.00 3.23 H new ATOM 0 HD3 LYS A 40 -3.964 -20.332 6.440 1.00 3.23 H new ATOM 0 HE2 LYS A 40 -3.875 -22.013 3.888 1.00 72.34 H new ATOM 0 HE3 LYS A 40 -2.556 -21.914 5.037 1.00 72.34 H new ATOM 0 HZ1 LYS A 40 -3.873 -23.858 5.460 1.00 20.24 H new ATOM 0 HZ2 LYS A 40 -4.061 -22.779 6.758 1.00 20.24 H new ATOM 0 HZ3 LYS A 40 -5.292 -22.937 5.599 1.00 20.24 H new ATOM 658 N ARG A 41 -5.959 -15.776 6.378 1.00 72.21 N ATOM 659 CA ARG A 41 -6.498 -14.517 6.936 1.00 14.30 C ATOM 660 C ARG A 41 -5.918 -13.299 6.172 1.00 12.41 C ATOM 661 O ARG A 41 -6.528 -12.224 6.104 1.00 62.11 O ATOM 662 CB ARG A 41 -6.161 -14.448 8.444 1.00 35.15 C ATOM 663 CG ARG A 41 -6.715 -13.215 9.191 1.00 12.03 C ATOM 664 CD ARG A 41 -6.290 -13.206 10.668 1.00 33.44 C ATOM 665 NE ARG A 41 -4.821 -13.240 10.801 1.00 10.42 N ATOM 666 CZ ARG A 41 -4.120 -14.044 11.615 1.00 4.03 C ATOM 667 NH1 ARG A 41 -4.725 -14.926 12.402 1.00 23.21 N ATOM 668 NH2 ARG A 41 -2.801 -13.972 11.611 1.00 12.33 N ATOM 0 H ARG A 41 -5.290 -16.237 6.996 1.00 72.21 H new ATOM 0 HA ARG A 41 -7.581 -14.493 6.817 1.00 14.30 H new ATOM 0 HB2 ARG A 41 -6.545 -15.347 8.926 1.00 35.15 H new ATOM 0 HB3 ARG A 41 -5.077 -14.464 8.558 1.00 35.15 H new ATOM 0 HG2 ARG A 41 -6.361 -12.306 8.705 1.00 12.03 H new ATOM 0 HG3 ARG A 41 -7.803 -13.208 9.125 1.00 12.03 H new ATOM 0 HD2 ARG A 41 -6.681 -12.314 11.156 1.00 33.44 H new ATOM 0 HD3 ARG A 41 -6.724 -14.065 11.179 1.00 33.44 H new ATOM 0 HE ARG A 41 -4.289 -12.592 10.220 1.00 10.42 H new ATOM 0 HH11 ARG A 41 -5.742 -15.002 12.395 1.00 23.21 H new ATOM 0 HH12 ARG A 41 -4.173 -15.527 13.013 1.00 23.21 H new ATOM 0 HH21 ARG A 41 -2.328 -13.311 10.994 1.00 12.33 H new ATOM 0 HH22 ARG A 41 -2.255 -14.577 12.225 1.00 12.33 H new ATOM 682 N LEU A 42 -4.728 -13.506 5.614 1.00 54.22 N ATOM 683 CA LEU A 42 -4.079 -12.600 4.661 1.00 62.03 C ATOM 684 C LEU A 42 -4.932 -12.449 3.386 1.00 15.33 C ATOM 685 O LEU A 42 -5.241 -11.332 2.962 1.00 0.50 O ATOM 686 CB LEU A 42 -2.698 -13.211 4.319 1.00 24.34 C ATOM 687 CG LEU A 42 -1.795 -12.484 3.286 1.00 10.34 C ATOM 688 CD1 LEU A 42 -1.475 -11.073 3.739 1.00 20.30 C ATOM 689 CD2 LEU A 42 -0.500 -13.280 3.038 1.00 40.11 C ATOM 0 H LEU A 42 -4.168 -14.334 5.817 1.00 54.22 H new ATOM 0 HA LEU A 42 -3.966 -11.606 5.094 1.00 62.03 H new ATOM 0 HB2 LEU A 42 -2.135 -13.295 5.248 1.00 24.34 H new ATOM 0 HB3 LEU A 42 -2.866 -14.225 3.955 1.00 24.34 H new ATOM 0 HG LEU A 42 -2.345 -12.420 2.347 1.00 10.34 H new ATOM 0 HD11 LEU A 42 -0.841 -10.587 2.997 1.00 20.30 H new ATOM 0 HD12 LEU A 42 -2.400 -10.508 3.851 1.00 20.30 H new ATOM 0 HD13 LEU A 42 -0.953 -11.107 4.695 1.00 20.30 H new ATOM 0 HD21 LEU A 42 0.118 -12.753 2.311 1.00 40.11 H new ATOM 0 HD22 LEU A 42 0.049 -13.383 3.974 1.00 40.11 H new ATOM 0 HD23 LEU A 42 -0.749 -14.269 2.653 1.00 40.11 H new ATOM 701 N GLU A 43 -5.325 -13.607 2.821 1.00 40.21 N ATOM 702 CA GLU A 43 -6.034 -13.691 1.531 1.00 72.13 C ATOM 703 C GLU A 43 -7.429 -13.032 1.590 1.00 71.41 C ATOM 704 O GLU A 43 -7.838 -12.366 0.629 1.00 35.23 O ATOM 705 CB GLU A 43 -6.135 -15.175 1.088 1.00 42.33 C ATOM 706 CG GLU A 43 -6.887 -15.405 -0.242 1.00 61.30 C ATOM 707 CD GLU A 43 -6.892 -16.856 -0.737 1.00 12.01 C ATOM 708 OE1 GLU A 43 -7.106 -17.775 0.082 1.00 14.21 O ATOM 709 OE2 GLU A 43 -6.694 -17.090 -1.951 1.00 12.02 O ATOM 0 H GLU A 43 -5.158 -14.517 3.251 1.00 40.21 H new ATOM 0 HA GLU A 43 -5.459 -13.134 0.791 1.00 72.13 H new ATOM 0 HB2 GLU A 43 -5.128 -15.581 0.994 1.00 42.33 H new ATOM 0 HB3 GLU A 43 -6.635 -15.741 1.874 1.00 42.33 H new ATOM 0 HG2 GLU A 43 -7.918 -15.074 -0.122 1.00 61.30 H new ATOM 0 HG3 GLU A 43 -6.438 -14.776 -1.010 1.00 61.30 H new ATOM 716 N GLU A 44 -8.152 -13.211 2.719 1.00 11.43 N ATOM 717 CA GLU A 44 -9.481 -12.590 2.900 1.00 62.05 C ATOM 718 C GLU A 44 -9.335 -11.058 2.998 1.00 61.23 C ATOM 719 O GLU A 44 -10.124 -10.336 2.399 1.00 11.33 O ATOM 720 CB GLU A 44 -10.235 -13.154 4.144 1.00 22.42 C ATOM 721 CG GLU A 44 -9.530 -12.912 5.486 1.00 44.44 C ATOM 722 CD GLU A 44 -10.301 -13.422 6.710 1.00 70.54 C ATOM 723 OE1 GLU A 44 -11.108 -12.655 7.282 1.00 1.12 O ATOM 724 OE2 GLU A 44 -10.104 -14.587 7.115 1.00 50.44 O ATOM 0 H GLU A 44 -7.840 -13.775 3.510 1.00 11.43 H new ATOM 0 HA GLU A 44 -10.084 -12.840 2.027 1.00 62.05 H new ATOM 0 HB2 GLU A 44 -11.228 -12.705 4.184 1.00 22.42 H new ATOM 0 HB3 GLU A 44 -10.375 -14.227 4.011 1.00 22.42 H new ATOM 0 HG2 GLU A 44 -8.553 -13.394 5.461 1.00 44.44 H new ATOM 0 HG3 GLU A 44 -9.355 -11.843 5.602 1.00 44.44 H new ATOM 731 N LYS A 45 -8.272 -10.594 3.713 1.00 32.15 N ATOM 732 CA LYS A 45 -7.975 -9.156 3.927 1.00 52.45 C ATOM 733 C LYS A 45 -7.795 -8.423 2.588 1.00 1.40 C ATOM 734 O LYS A 45 -8.275 -7.293 2.416 1.00 31.41 O ATOM 735 CB LYS A 45 -6.684 -8.990 4.751 1.00 73.34 C ATOM 736 CG LYS A 45 -6.332 -7.511 5.108 1.00 2.41 C ATOM 737 CD LYS A 45 -6.910 -7.044 6.450 1.00 10.12 C ATOM 738 CE LYS A 45 -6.372 -7.892 7.608 1.00 1.15 C ATOM 739 NZ LYS A 45 -6.766 -7.354 8.927 1.00 21.31 N ATOM 0 H LYS A 45 -7.596 -11.214 4.158 1.00 32.15 H new ATOM 0 HA LYS A 45 -8.820 -8.726 4.465 1.00 52.45 H new ATOM 0 HB2 LYS A 45 -6.781 -9.561 5.675 1.00 73.34 H new ATOM 0 HB3 LYS A 45 -5.854 -9.424 4.194 1.00 73.34 H new ATOM 0 HG2 LYS A 45 -5.248 -7.401 5.132 1.00 2.41 H new ATOM 0 HG3 LYS A 45 -6.701 -6.858 4.317 1.00 2.41 H new ATOM 0 HD2 LYS A 45 -6.656 -5.997 6.614 1.00 10.12 H new ATOM 0 HD3 LYS A 45 -7.998 -7.108 6.423 1.00 10.12 H new ATOM 0 HE2 LYS A 45 -6.741 -8.913 7.510 1.00 1.15 H new ATOM 0 HE3 LYS A 45 -5.285 -7.938 7.547 1.00 1.15 H new ATOM 0 HZ1 LYS A 45 -6.380 -7.960 9.679 1.00 21.31 H new ATOM 0 HZ2 LYS A 45 -6.393 -6.389 9.034 1.00 21.31 H new ATOM 0 HZ3 LYS A 45 -7.803 -7.334 8.998 1.00 21.31 H new ATOM 753 N ILE A 46 -7.086 -9.105 1.663 1.00 70.14 N ATOM 754 CA ILE A 46 -6.878 -8.650 0.279 1.00 34.11 C ATOM 755 C ILE A 46 -8.243 -8.313 -0.365 1.00 2.43 C ATOM 756 O ILE A 46 -8.449 -7.206 -0.852 1.00 51.23 O ATOM 757 CB ILE A 46 -6.125 -9.757 -0.564 1.00 72.11 C ATOM 758 CG1 ILE A 46 -4.695 -10.037 0.018 1.00 22.22 C ATOM 759 CG2 ILE A 46 -6.053 -9.399 -2.071 1.00 54.00 C ATOM 760 CD1 ILE A 46 -3.943 -11.185 -0.640 1.00 41.01 C ATOM 0 H ILE A 46 -6.637 -9.999 1.863 1.00 70.14 H new ATOM 0 HA ILE A 46 -6.257 -7.754 0.289 1.00 34.11 H new ATOM 0 HB ILE A 46 -6.711 -10.672 -0.481 1.00 72.11 H new ATOM 0 HG12 ILE A 46 -4.097 -9.130 -0.077 1.00 22.22 H new ATOM 0 HG13 ILE A 46 -4.788 -10.248 1.083 1.00 22.22 H new ATOM 0 HG21 ILE A 46 -5.527 -10.189 -2.608 1.00 54.00 H new ATOM 0 HG22 ILE A 46 -7.062 -9.299 -2.470 1.00 54.00 H new ATOM 0 HG23 ILE A 46 -5.519 -8.457 -2.196 1.00 54.00 H new ATOM 0 HD11 ILE A 46 -2.967 -11.299 -0.168 1.00 41.01 H new ATOM 0 HD12 ILE A 46 -4.512 -12.107 -0.523 1.00 41.01 H new ATOM 0 HD13 ILE A 46 -3.811 -10.973 -1.701 1.00 41.01 H new ATOM 772 N GLN A 47 -9.191 -9.267 -0.252 1.00 1.31 N ATOM 773 CA GLN A 47 -10.540 -9.162 -0.844 1.00 5.20 C ATOM 774 C GLN A 47 -11.397 -8.082 -0.137 1.00 60.32 C ATOM 775 O GLN A 47 -12.235 -7.446 -0.781 1.00 63.43 O ATOM 776 CB GLN A 47 -11.258 -10.539 -0.784 1.00 11.04 C ATOM 777 CG GLN A 47 -10.478 -11.708 -1.422 1.00 61.41 C ATOM 778 CD GLN A 47 -10.187 -11.521 -2.913 1.00 1.04 C ATOM 779 OE1 GLN A 47 -10.976 -11.927 -3.771 1.00 10.42 O ATOM 780 NE2 GLN A 47 -9.049 -10.914 -3.236 1.00 75.03 N ATOM 0 H GLN A 47 -9.040 -10.138 0.257 1.00 1.31 H new ATOM 0 HA GLN A 47 -10.422 -8.860 -1.885 1.00 5.20 H new ATOM 0 HB2 GLN A 47 -11.459 -10.782 0.259 1.00 11.04 H new ATOM 0 HB3 GLN A 47 -12.223 -10.451 -1.282 1.00 11.04 H new ATOM 0 HG2 GLN A 47 -9.534 -11.835 -0.891 1.00 61.41 H new ATOM 0 HG3 GLN A 47 -11.046 -12.628 -1.286 1.00 61.41 H new ATOM 0 HE21 GLN A 47 -8.418 -10.590 -2.503 1.00 75.03 H new ATOM 0 HE22 GLN A 47 -8.807 -10.772 -4.217 1.00 75.03 H new ATOM 789 N LYS A 48 -11.163 -7.879 1.183 1.00 32.03 N ATOM 790 CA LYS A 48 -11.907 -6.880 1.991 1.00 2.03 C ATOM 791 C LYS A 48 -11.581 -5.459 1.506 1.00 64.20 C ATOM 792 O LYS A 48 -12.472 -4.625 1.320 1.00 21.14 O ATOM 793 CB LYS A 48 -11.564 -6.999 3.510 1.00 34.52 C ATOM 794 CG LYS A 48 -11.812 -8.382 4.159 1.00 21.24 C ATOM 795 CD LYS A 48 -13.237 -8.938 3.947 1.00 20.11 C ATOM 796 CE LYS A 48 -14.327 -8.089 4.616 1.00 64.45 C ATOM 797 NZ LYS A 48 -15.686 -8.586 4.275 1.00 0.41 N ATOM 0 H LYS A 48 -10.462 -8.396 1.713 1.00 32.03 H new ATOM 0 HA LYS A 48 -12.971 -7.080 1.862 1.00 2.03 H new ATOM 0 HB2 LYS A 48 -10.514 -6.740 3.646 1.00 34.52 H new ATOM 0 HB3 LYS A 48 -12.148 -6.256 4.053 1.00 34.52 H new ATOM 0 HG2 LYS A 48 -11.093 -9.094 3.754 1.00 21.24 H new ATOM 0 HG3 LYS A 48 -11.619 -8.308 5.229 1.00 21.24 H new ATOM 0 HD2 LYS A 48 -13.440 -9.000 2.878 1.00 20.11 H new ATOM 0 HD3 LYS A 48 -13.285 -9.954 4.340 1.00 20.11 H new ATOM 0 HE2 LYS A 48 -14.192 -8.107 5.697 1.00 64.45 H new ATOM 0 HE3 LYS A 48 -14.227 -7.051 4.299 1.00 64.45 H new ATOM 0 HZ1 LYS A 48 -16.400 -7.992 4.742 1.00 0.41 H new ATOM 0 HZ2 LYS A 48 -15.822 -8.546 3.245 1.00 0.41 H new ATOM 0 HZ3 LYS A 48 -15.788 -9.569 4.599 1.00 0.41 H new ATOM 811 N LEU A 49 -10.279 -5.220 1.288 1.00 31.12 N ATOM 812 CA LEU A 49 -9.759 -3.922 0.854 1.00 53.32 C ATOM 813 C LEU A 49 -10.043 -3.684 -0.640 1.00 54.14 C ATOM 814 O LEU A 49 -10.314 -2.553 -1.022 1.00 74.11 O ATOM 815 CB LEU A 49 -8.244 -3.819 1.157 1.00 33.25 C ATOM 816 CG LEU A 49 -7.837 -3.886 2.661 1.00 20.11 C ATOM 817 CD1 LEU A 49 -6.307 -3.885 2.824 1.00 70.31 C ATOM 818 CD2 LEU A 49 -8.477 -2.737 3.460 1.00 23.34 C ATOM 0 H LEU A 49 -9.556 -5.929 1.410 1.00 31.12 H new ATOM 0 HA LEU A 49 -10.273 -3.142 1.415 1.00 53.32 H new ATOM 0 HB2 LEU A 49 -7.733 -4.623 0.628 1.00 33.25 H new ATOM 0 HB3 LEU A 49 -7.875 -2.880 0.744 1.00 33.25 H new ATOM 0 HG LEU A 49 -8.215 -4.826 3.064 1.00 20.11 H new ATOM 0 HD11 LEU A 49 -6.054 -3.932 3.883 1.00 70.31 H new ATOM 0 HD12 LEU A 49 -5.886 -4.750 2.311 1.00 70.31 H new ATOM 0 HD13 LEU A 49 -5.896 -2.972 2.393 1.00 70.31 H new ATOM 0 HD21 LEU A 49 -8.176 -2.809 4.505 1.00 23.34 H new ATOM 0 HD22 LEU A 49 -8.146 -1.782 3.052 1.00 23.34 H new ATOM 0 HD23 LEU A 49 -9.563 -2.805 3.390 1.00 23.34 H new ATOM 830 N LYS A 50 -10.009 -4.757 -1.475 1.00 74.43 N ATOM 831 CA LYS A 50 -10.332 -4.649 -2.922 1.00 53.15 C ATOM 832 C LYS A 50 -11.826 -4.323 -3.120 1.00 31.13 C ATOM 833 O LYS A 50 -12.195 -3.652 -4.091 1.00 22.51 O ATOM 834 CB LYS A 50 -9.925 -5.935 -3.713 1.00 72.41 C ATOM 835 CG LYS A 50 -8.393 -6.176 -3.802 1.00 12.50 C ATOM 836 CD LYS A 50 -7.970 -7.192 -4.892 1.00 0.14 C ATOM 837 CE LYS A 50 -8.328 -6.715 -6.313 1.00 52.44 C ATOM 838 NZ LYS A 50 -7.685 -7.549 -7.372 1.00 31.44 N ATOM 0 H LYS A 50 -9.763 -5.700 -1.173 1.00 74.43 H new ATOM 0 HA LYS A 50 -9.742 -3.828 -3.329 1.00 53.15 H new ATOM 0 HB2 LYS A 50 -10.390 -6.800 -3.240 1.00 72.41 H new ATOM 0 HB3 LYS A 50 -10.329 -5.869 -4.723 1.00 72.41 H new ATOM 0 HG2 LYS A 50 -7.898 -5.225 -3.997 1.00 12.50 H new ATOM 0 HG3 LYS A 50 -8.036 -6.529 -2.835 1.00 12.50 H new ATOM 0 HD2 LYS A 50 -6.895 -7.361 -4.829 1.00 0.14 H new ATOM 0 HD3 LYS A 50 -8.455 -8.149 -4.700 1.00 0.14 H new ATOM 0 HE2 LYS A 50 -9.410 -6.742 -6.440 1.00 52.44 H new ATOM 0 HE3 LYS A 50 -8.018 -5.677 -6.434 1.00 52.44 H new ATOM 0 HZ1 LYS A 50 -8.227 -7.466 -8.256 1.00 31.44 H new ATOM 0 HZ2 LYS A 50 -6.711 -7.219 -7.530 1.00 31.44 H new ATOM 0 HZ3 LYS A 50 -7.669 -8.544 -7.068 1.00 31.44 H new ATOM 852 N SER A 51 -12.668 -4.816 -2.190 1.00 34.14 N ATOM 853 CA SER A 51 -14.085 -4.422 -2.086 1.00 12.23 C ATOM 854 C SER A 51 -14.209 -2.904 -1.808 1.00 33.43 C ATOM 855 O SER A 51 -15.034 -2.221 -2.419 1.00 24.44 O ATOM 856 CB SER A 51 -14.781 -5.248 -0.978 1.00 72.42 C ATOM 857 OG SER A 51 -16.161 -4.948 -0.876 1.00 1.13 O ATOM 0 H SER A 51 -12.383 -5.500 -1.489 1.00 34.14 H new ATOM 0 HA SER A 51 -14.581 -4.628 -3.035 1.00 12.23 H new ATOM 0 HB2 SER A 51 -14.656 -6.311 -1.186 1.00 72.42 H new ATOM 0 HB3 SER A 51 -14.296 -5.052 -0.022 1.00 72.42 H new ATOM 0 HG SER A 51 -16.562 -5.492 -0.166 1.00 1.13 H new ATOM 863 N GLN A 52 -13.355 -2.391 -0.888 1.00 13.42 N ATOM 864 CA GLN A 52 -13.299 -0.944 -0.550 1.00 54.21 C ATOM 865 C GLN A 52 -12.707 -0.107 -1.709 1.00 62.40 C ATOM 866 O GLN A 52 -12.948 1.101 -1.789 1.00 35.10 O ATOM 867 CB GLN A 52 -12.481 -0.705 0.752 1.00 21.34 C ATOM 868 CG GLN A 52 -13.031 -1.419 2.005 1.00 23.41 C ATOM 869 CD GLN A 52 -12.315 -1.056 3.316 1.00 23.22 C ATOM 870 OE1 GLN A 52 -12.923 -1.072 4.388 1.00 4.14 O ATOM 871 NE2 GLN A 52 -11.023 -0.750 3.266 1.00 12.01 N ATOM 0 H GLN A 52 -12.691 -2.961 -0.363 1.00 13.42 H new ATOM 0 HA GLN A 52 -14.325 -0.616 -0.385 1.00 54.21 H new ATOM 0 HB2 GLN A 52 -11.455 -1.034 0.585 1.00 21.34 H new ATOM 0 HB3 GLN A 52 -12.444 0.366 0.949 1.00 21.34 H new ATOM 0 HG2 GLN A 52 -14.090 -1.181 2.107 1.00 23.41 H new ATOM 0 HG3 GLN A 52 -12.960 -2.496 1.854 1.00 23.41 H new ATOM 0 HE21 GLN A 52 -10.535 -0.742 2.370 1.00 12.01 H new ATOM 0 HE22 GLN A 52 -10.519 -0.524 4.123 1.00 12.01 H new ATOM 880 N GLY A 53 -11.929 -0.760 -2.600 1.00 54.21 N ATOM 881 CA GLY A 53 -11.361 -0.109 -3.794 1.00 74.31 C ATOM 882 C GLY A 53 -9.849 0.059 -3.727 1.00 11.43 C ATOM 883 O GLY A 53 -9.303 1.002 -4.293 1.00 14.22 O ATOM 0 H GLY A 53 -11.680 -1.745 -2.510 1.00 54.21 H new ATOM 0 HA2 GLY A 53 -11.615 -0.697 -4.676 1.00 74.31 H new ATOM 0 HA3 GLY A 53 -11.823 0.870 -3.920 1.00 74.31 H new ATOM 887 N PHE A 54 -9.176 -0.864 -3.027 1.00 50.11 N ATOM 888 CA PHE A 54 -7.710 -0.881 -2.882 1.00 52.30 C ATOM 889 C PHE A 54 -7.159 -2.105 -3.607 1.00 11.40 C ATOM 890 O PHE A 54 -7.471 -3.225 -3.209 1.00 20.13 O ATOM 891 CB PHE A 54 -7.309 -0.926 -1.381 1.00 41.44 C ATOM 892 CG PHE A 54 -7.776 0.283 -0.583 1.00 4.24 C ATOM 893 CD1 PHE A 54 -7.152 1.517 -0.751 1.00 71.34 C ATOM 894 CD2 PHE A 54 -8.854 0.201 0.302 1.00 14.31 C ATOM 895 CE1 PHE A 54 -7.583 2.621 -0.054 1.00 74.42 C ATOM 896 CE2 PHE A 54 -9.285 1.316 0.995 1.00 43.51 C ATOM 897 CZ PHE A 54 -8.649 2.526 0.811 1.00 12.34 C ATOM 0 H PHE A 54 -9.638 -1.631 -2.538 1.00 50.11 H new ATOM 0 HA PHE A 54 -7.293 0.028 -3.317 1.00 52.30 H new ATOM 0 HB2 PHE A 54 -7.723 -1.828 -0.931 1.00 41.44 H new ATOM 0 HB3 PHE A 54 -6.224 -1.002 -1.307 1.00 41.44 H new ATOM 0 HD1 PHE A 54 -6.322 1.607 -1.435 1.00 71.34 H new ATOM 0 HD2 PHE A 54 -9.356 -0.744 0.446 1.00 14.31 H new ATOM 0 HE1 PHE A 54 -7.082 3.569 -0.186 1.00 74.42 H new ATOM 0 HE2 PHE A 54 -10.118 1.240 1.679 1.00 43.51 H new ATOM 0 HZ PHE A 54 -8.988 3.400 1.347 1.00 12.34 H new ATOM 907 N GLU A 55 -6.378 -1.895 -4.682 1.00 22.05 N ATOM 908 CA GLU A 55 -5.731 -2.987 -5.413 1.00 43.52 C ATOM 909 C GLU A 55 -4.612 -3.580 -4.544 1.00 53.32 C ATOM 910 O GLU A 55 -3.507 -3.025 -4.453 1.00 1.40 O ATOM 911 CB GLU A 55 -5.183 -2.512 -6.790 1.00 13.24 C ATOM 912 CG GLU A 55 -4.492 -3.624 -7.625 1.00 23.30 C ATOM 913 CD GLU A 55 -5.375 -4.878 -7.825 1.00 1.32 C ATOM 914 OE1 GLU A 55 -6.312 -4.831 -8.650 1.00 2.14 O ATOM 915 OE2 GLU A 55 -5.136 -5.917 -7.158 1.00 2.43 O ATOM 0 H GLU A 55 -6.182 -0.969 -5.062 1.00 22.05 H new ATOM 0 HA GLU A 55 -6.472 -3.758 -5.622 1.00 43.52 H new ATOM 0 HB2 GLU A 55 -6.006 -2.097 -7.371 1.00 13.24 H new ATOM 0 HB3 GLU A 55 -4.471 -1.704 -6.624 1.00 13.24 H new ATOM 0 HG2 GLU A 55 -4.220 -3.220 -8.600 1.00 23.30 H new ATOM 0 HG3 GLU A 55 -3.565 -3.916 -7.132 1.00 23.30 H new ATOM 922 N VAL A 56 -4.950 -4.677 -3.856 1.00 13.12 N ATOM 923 CA VAL A 56 -4.040 -5.365 -2.950 1.00 12.43 C ATOM 924 C VAL A 56 -3.354 -6.525 -3.684 1.00 74.53 C ATOM 925 O VAL A 56 -4.012 -7.298 -4.389 1.00 3.42 O ATOM 926 CB VAL A 56 -4.778 -5.917 -1.681 1.00 31.14 C ATOM 927 CG1 VAL A 56 -3.766 -6.487 -0.671 1.00 0.24 C ATOM 928 CG2 VAL A 56 -5.669 -4.849 -1.023 1.00 44.24 C ATOM 0 H VAL A 56 -5.871 -5.111 -3.917 1.00 13.12 H new ATOM 0 HA VAL A 56 -3.299 -4.638 -2.617 1.00 12.43 H new ATOM 0 HB VAL A 56 -5.433 -6.724 -2.009 1.00 31.14 H new ATOM 0 HG11 VAL A 56 -4.297 -6.865 0.202 1.00 0.24 H new ATOM 0 HG12 VAL A 56 -3.207 -7.299 -1.135 1.00 0.24 H new ATOM 0 HG13 VAL A 56 -3.076 -5.701 -0.364 1.00 0.24 H new ATOM 0 HG21 VAL A 56 -6.161 -5.274 -0.148 1.00 44.24 H new ATOM 0 HG22 VAL A 56 -5.056 -4.001 -0.718 1.00 44.24 H new ATOM 0 HG23 VAL A 56 -6.422 -4.514 -1.736 1.00 44.24 H new ATOM 938 N ARG A 57 -2.037 -6.639 -3.487 1.00 42.34 N ATOM 939 CA ARG A 57 -1.197 -7.707 -4.041 1.00 42.03 C ATOM 940 C ARG A 57 -0.600 -8.490 -2.849 1.00 32.41 C ATOM 941 O ARG A 57 -0.306 -7.903 -1.788 1.00 31.30 O ATOM 942 CB ARG A 57 -0.064 -7.111 -4.957 1.00 31.24 C ATOM 943 CG ARG A 57 -0.147 -7.438 -6.473 1.00 51.34 C ATOM 944 CD ARG A 57 -1.355 -6.816 -7.214 1.00 71.22 C ATOM 945 NE ARG A 57 -2.612 -7.550 -6.975 1.00 63.50 N ATOM 946 CZ ARG A 57 -3.138 -8.489 -7.784 1.00 4.40 C ATOM 947 NH1 ARG A 57 -2.543 -8.841 -8.926 1.00 64.02 N ATOM 948 NH2 ARG A 57 -4.269 -9.085 -7.442 1.00 63.52 N ATOM 0 H ARG A 57 -1.511 -5.973 -2.922 1.00 42.34 H new ATOM 0 HA ARG A 57 -1.789 -8.373 -4.670 1.00 42.03 H new ATOM 0 HB2 ARG A 57 -0.069 -6.027 -4.842 1.00 31.24 H new ATOM 0 HB3 ARG A 57 0.897 -7.467 -4.585 1.00 31.24 H new ATOM 0 HG2 ARG A 57 0.770 -7.096 -6.953 1.00 51.34 H new ATOM 0 HG3 ARG A 57 -0.185 -8.521 -6.594 1.00 51.34 H new ATOM 0 HD2 ARG A 57 -1.478 -5.781 -6.895 1.00 71.22 H new ATOM 0 HD3 ARG A 57 -1.148 -6.797 -8.284 1.00 71.22 H new ATOM 0 HE ARG A 57 -3.127 -7.327 -6.123 1.00 63.50 H new ATOM 0 HH11 ARG A 57 -1.668 -8.396 -9.204 1.00 64.02 H new ATOM 0 HH12 ARG A 57 -2.963 -9.555 -9.521 1.00 64.02 H new ATOM 0 HH21 ARG A 57 -4.736 -8.832 -6.571 1.00 63.52 H new ATOM 0 HH22 ARG A 57 -4.674 -9.797 -8.049 1.00 63.52 H new ATOM 962 N LYS A 58 -0.430 -9.805 -3.025 1.00 2.41 N ATOM 963 CA LYS A 58 0.155 -10.688 -2.003 1.00 43.32 C ATOM 964 C LYS A 58 1.663 -10.802 -2.293 1.00 64.11 C ATOM 965 O LYS A 58 2.057 -11.185 -3.397 1.00 50.23 O ATOM 966 CB LYS A 58 -0.560 -12.081 -2.037 1.00 31.23 C ATOM 967 CG LYS A 58 -0.281 -13.043 -0.837 1.00 24.40 C ATOM 968 CD LYS A 58 1.110 -13.725 -0.886 1.00 52.11 C ATOM 969 CE LYS A 58 1.407 -14.606 0.333 1.00 70.33 C ATOM 970 NZ LYS A 58 2.819 -15.069 0.347 1.00 13.14 N ATOM 0 H LYS A 58 -0.694 -10.291 -3.882 1.00 2.41 H new ATOM 0 HA LYS A 58 0.016 -10.285 -1.000 1.00 43.32 H new ATOM 0 HB2 LYS A 58 -1.635 -11.910 -2.093 1.00 31.23 H new ATOM 0 HB3 LYS A 58 -0.269 -12.590 -2.956 1.00 31.23 H new ATOM 0 HG2 LYS A 58 -0.366 -12.481 0.093 1.00 24.40 H new ATOM 0 HG3 LYS A 58 -1.052 -13.814 -0.816 1.00 24.40 H new ATOM 0 HD2 LYS A 58 1.175 -14.334 -1.788 1.00 52.11 H new ATOM 0 HD3 LYS A 58 1.879 -12.957 -0.964 1.00 52.11 H new ATOM 0 HE2 LYS A 58 1.199 -14.047 1.245 1.00 70.33 H new ATOM 0 HE3 LYS A 58 0.741 -15.469 0.329 1.00 70.33 H new ATOM 0 HZ1 LYS A 58 2.918 -15.862 1.012 1.00 13.14 H new ATOM 0 HZ2 LYS A 58 3.092 -15.381 -0.607 1.00 13.14 H new ATOM 0 HZ3 LYS A 58 3.437 -14.288 0.646 1.00 13.14 H new ATOM 984 N VAL A 59 2.492 -10.490 -1.289 1.00 11.00 N ATOM 985 CA VAL A 59 3.969 -10.541 -1.394 1.00 20.34 C ATOM 986 C VAL A 59 4.530 -11.517 -0.339 1.00 22.42 C ATOM 987 O VAL A 59 3.764 -12.103 0.446 1.00 72.42 O ATOM 988 CB VAL A 59 4.603 -9.107 -1.208 1.00 41.01 C ATOM 989 CG1 VAL A 59 4.304 -8.198 -2.425 1.00 31.22 C ATOM 990 CG2 VAL A 59 4.116 -8.454 0.114 1.00 50.04 C ATOM 0 H VAL A 59 2.161 -10.192 -0.371 1.00 11.00 H new ATOM 0 HA VAL A 59 4.234 -10.895 -2.390 1.00 20.34 H new ATOM 0 HB VAL A 59 5.685 -9.225 -1.145 1.00 41.01 H new ATOM 0 HG11 VAL A 59 4.754 -7.218 -2.266 1.00 31.22 H new ATOM 0 HG12 VAL A 59 4.722 -8.647 -3.326 1.00 31.22 H new ATOM 0 HG13 VAL A 59 3.226 -8.088 -2.541 1.00 31.22 H new ATOM 0 HG21 VAL A 59 4.566 -7.467 0.220 1.00 50.04 H new ATOM 0 HG22 VAL A 59 3.030 -8.357 0.094 1.00 50.04 H new ATOM 0 HG23 VAL A 59 4.409 -9.079 0.958 1.00 50.04 H new ATOM 1000 N LYS A 60 5.860 -11.721 -0.347 1.00 41.33 N ATOM 1001 CA LYS A 60 6.556 -12.494 0.703 1.00 61.23 C ATOM 1002 C LYS A 60 6.848 -11.570 1.903 1.00 4.35 C ATOM 1003 O LYS A 60 6.103 -11.574 2.893 1.00 50.11 O ATOM 1004 CB LYS A 60 7.864 -13.138 0.157 1.00 54.03 C ATOM 1005 CG LYS A 60 7.670 -14.124 -1.013 1.00 34.45 C ATOM 1006 CD LYS A 60 6.829 -15.363 -0.628 1.00 2.41 C ATOM 1007 CE LYS A 60 6.735 -16.387 -1.773 1.00 24.53 C ATOM 1008 NZ LYS A 60 8.077 -16.875 -2.196 1.00 3.53 N ATOM 0 H LYS A 60 6.479 -11.360 -1.073 1.00 41.33 H new ATOM 0 HA LYS A 60 5.912 -13.311 1.029 1.00 61.23 H new ATOM 0 HB2 LYS A 60 8.535 -12.342 -0.167 1.00 54.03 H new ATOM 0 HB3 LYS A 60 8.361 -13.661 0.974 1.00 54.03 H new ATOM 0 HG2 LYS A 60 7.185 -13.606 -1.840 1.00 34.45 H new ATOM 0 HG3 LYS A 60 8.646 -14.452 -1.370 1.00 34.45 H new ATOM 0 HD2 LYS A 60 7.270 -15.840 0.247 1.00 2.41 H new ATOM 0 HD3 LYS A 60 5.826 -15.044 -0.346 1.00 2.41 H new ATOM 0 HE2 LYS A 60 6.126 -17.233 -1.454 1.00 24.53 H new ATOM 0 HE3 LYS A 60 6.229 -15.933 -2.625 1.00 24.53 H new ATOM 0 HZ1 LYS A 60 7.967 -17.721 -2.790 1.00 3.53 H new ATOM 0 HZ2 LYS A 60 8.562 -16.132 -2.738 1.00 3.53 H new ATOM 0 HZ3 LYS A 60 8.641 -17.113 -1.355 1.00 3.53 H new ATOM 1022 N ASP A 61 7.902 -10.741 1.776 1.00 73.41 N ATOM 1023 CA ASP A 61 8.307 -9.771 2.817 1.00 12.14 C ATOM 1024 C ASP A 61 9.030 -8.586 2.133 1.00 73.21 C ATOM 1025 O ASP A 61 8.937 -8.454 0.908 1.00 13.11 O ATOM 1026 CB ASP A 61 9.183 -10.475 3.909 1.00 20.10 C ATOM 1027 CG ASP A 61 9.122 -9.773 5.281 1.00 52.55 C ATOM 1028 OD1 ASP A 61 8.105 -9.939 5.991 1.00 22.41 O ATOM 1029 OD2 ASP A 61 10.066 -9.045 5.654 1.00 63.34 O ATOM 0 H ASP A 61 8.498 -10.723 0.949 1.00 73.41 H new ATOM 0 HA ASP A 61 7.434 -9.377 3.338 1.00 12.14 H new ATOM 0 HB2 ASP A 61 8.852 -11.507 4.021 1.00 20.10 H new ATOM 0 HB3 ASP A 61 10.218 -10.507 3.570 1.00 20.10 H new ATOM 1034 N ASP A 62 9.776 -7.759 2.901 1.00 32.02 N ATOM 1035 CA ASP A 62 10.241 -6.420 2.453 1.00 42.43 C ATOM 1036 C ASP A 62 11.271 -6.496 1.304 1.00 41.00 C ATOM 1037 O ASP A 62 11.408 -5.547 0.520 1.00 3.33 O ATOM 1038 CB ASP A 62 10.797 -5.631 3.661 1.00 64.42 C ATOM 1039 CG ASP A 62 11.098 -4.161 3.322 1.00 31.45 C ATOM 1040 OD1 ASP A 62 10.153 -3.435 2.946 1.00 54.14 O ATOM 1041 OD2 ASP A 62 12.265 -3.722 3.421 1.00 71.41 O ATOM 0 H ASP A 62 10.074 -7.998 3.847 1.00 32.02 H new ATOM 0 HA ASP A 62 9.381 -5.890 2.044 1.00 42.43 H new ATOM 0 HB2 ASP A 62 10.077 -5.671 4.478 1.00 64.42 H new ATOM 0 HB3 ASP A 62 11.709 -6.112 4.015 1.00 64.42 H new ATOM 1046 N ASP A 63 11.989 -7.631 1.237 1.00 2.15 N ATOM 1047 CA ASP A 63 12.892 -7.969 0.108 1.00 35.04 C ATOM 1048 C ASP A 63 12.124 -7.937 -1.232 1.00 73.45 C ATOM 1049 O ASP A 63 12.530 -7.271 -2.191 1.00 21.11 O ATOM 1050 CB ASP A 63 13.524 -9.378 0.288 1.00 42.24 C ATOM 1051 CG ASP A 63 14.273 -9.543 1.621 1.00 24.32 C ATOM 1052 OD1 ASP A 63 15.361 -8.950 1.786 1.00 74.34 O ATOM 1053 OD2 ASP A 63 13.775 -10.269 2.515 1.00 21.42 O ATOM 0 H ASP A 63 11.963 -8.346 1.964 1.00 2.15 H new ATOM 0 HA ASP A 63 13.686 -7.222 0.098 1.00 35.04 H new ATOM 0 HB2 ASP A 63 12.739 -10.131 0.225 1.00 42.24 H new ATOM 0 HB3 ASP A 63 14.214 -9.567 -0.534 1.00 42.24 H new ATOM 1058 N ASP A 64 10.991 -8.658 -1.255 1.00 20.33 N ATOM 1059 CA ASP A 64 10.138 -8.814 -2.451 1.00 4.24 C ATOM 1060 C ASP A 64 9.295 -7.556 -2.698 1.00 14.14 C ATOM 1061 O ASP A 64 8.945 -7.259 -3.841 1.00 64.50 O ATOM 1062 CB ASP A 64 9.239 -10.070 -2.307 1.00 4.23 C ATOM 1063 CG ASP A 64 10.061 -11.366 -2.319 1.00 33.40 C ATOM 1064 OD1 ASP A 64 10.629 -11.729 -1.265 1.00 20.22 O ATOM 1065 OD2 ASP A 64 10.176 -12.004 -3.392 1.00 1.45 O ATOM 0 H ASP A 64 10.636 -9.155 -0.438 1.00 20.33 H new ATOM 0 HA ASP A 64 10.784 -8.950 -3.319 1.00 4.24 H new ATOM 0 HB2 ASP A 64 8.674 -10.007 -1.377 1.00 4.23 H new ATOM 0 HB3 ASP A 64 8.514 -10.093 -3.120 1.00 4.23 H new ATOM 1070 N ILE A 65 8.978 -6.839 -1.608 1.00 62.41 N ATOM 1071 CA ILE A 65 8.300 -5.527 -1.654 1.00 24.54 C ATOM 1072 C ILE A 65 9.180 -4.495 -2.404 1.00 34.12 C ATOM 1073 O ILE A 65 8.698 -3.794 -3.290 1.00 3.43 O ATOM 1074 CB ILE A 65 7.947 -5.038 -0.195 1.00 24.43 C ATOM 1075 CG1 ILE A 65 6.867 -5.976 0.441 1.00 54.44 C ATOM 1076 CG2 ILE A 65 7.494 -3.560 -0.162 1.00 20.10 C ATOM 1077 CD1 ILE A 65 6.585 -5.737 1.913 1.00 33.43 C ATOM 0 H ILE A 65 9.186 -7.154 -0.660 1.00 62.41 H new ATOM 0 HA ILE A 65 7.364 -5.629 -2.203 1.00 24.54 H new ATOM 0 HB ILE A 65 8.858 -5.094 0.401 1.00 24.43 H new ATOM 0 HG12 ILE A 65 5.936 -5.859 -0.114 1.00 54.44 H new ATOM 0 HG13 ILE A 65 7.187 -7.010 0.313 1.00 54.44 H new ATOM 0 HG21 ILE A 65 7.263 -3.273 0.864 1.00 20.10 H new ATOM 0 HG22 ILE A 65 8.293 -2.926 -0.545 1.00 20.10 H new ATOM 0 HG23 ILE A 65 6.606 -3.438 -0.782 1.00 20.10 H new ATOM 0 HD11 ILE A 65 5.823 -6.437 2.256 1.00 33.43 H new ATOM 0 HD12 ILE A 65 7.499 -5.885 2.487 1.00 33.43 H new ATOM 0 HD13 ILE A 65 6.229 -4.716 2.054 1.00 33.43 H new ATOM 1089 N ASP A 66 10.477 -4.451 -2.057 1.00 22.44 N ATOM 1090 CA ASP A 66 11.470 -3.557 -2.702 1.00 11.34 C ATOM 1091 C ASP A 66 11.584 -3.827 -4.221 1.00 2.43 C ATOM 1092 O ASP A 66 11.630 -2.890 -5.034 1.00 41.40 O ATOM 1093 CB ASP A 66 12.844 -3.726 -2.005 1.00 74.31 C ATOM 1094 CG ASP A 66 13.944 -2.833 -2.603 1.00 61.52 C ATOM 1095 OD1 ASP A 66 13.875 -1.600 -2.419 1.00 42.22 O ATOM 1096 OD2 ASP A 66 14.874 -3.353 -3.263 1.00 62.52 O ATOM 0 H ASP A 66 10.874 -5.034 -1.320 1.00 22.44 H new ATOM 0 HA ASP A 66 11.132 -2.527 -2.589 1.00 11.34 H new ATOM 0 HB2 ASP A 66 12.736 -3.497 -0.945 1.00 74.31 H new ATOM 0 HB3 ASP A 66 13.154 -4.769 -2.076 1.00 74.31 H new ATOM 1101 N LYS A 67 11.587 -5.122 -4.579 1.00 42.24 N ATOM 1102 CA LYS A 67 11.644 -5.573 -5.986 1.00 64.44 C ATOM 1103 C LYS A 67 10.320 -5.260 -6.713 1.00 44.44 C ATOM 1104 O LYS A 67 10.322 -4.941 -7.905 1.00 43.33 O ATOM 1105 CB LYS A 67 11.950 -7.092 -6.072 1.00 34.20 C ATOM 1106 CG LYS A 67 13.350 -7.497 -5.552 1.00 24.33 C ATOM 1107 CD LYS A 67 13.635 -9.014 -5.719 1.00 12.22 C ATOM 1108 CE LYS A 67 12.639 -9.899 -4.949 1.00 42.21 C ATOM 1109 NZ LYS A 67 12.883 -11.354 -5.158 1.00 44.50 N ATOM 0 H LYS A 67 11.550 -5.887 -3.905 1.00 42.24 H new ATOM 0 HA LYS A 67 12.452 -5.029 -6.476 1.00 64.44 H new ATOM 0 HB2 LYS A 67 11.195 -7.634 -5.503 1.00 34.20 H new ATOM 0 HB3 LYS A 67 11.856 -7.410 -7.110 1.00 34.20 H new ATOM 0 HG2 LYS A 67 14.110 -6.928 -6.086 1.00 24.33 H new ATOM 0 HG3 LYS A 67 13.433 -7.230 -4.499 1.00 24.33 H new ATOM 0 HD2 LYS A 67 13.598 -9.271 -6.778 1.00 12.22 H new ATOM 0 HD3 LYS A 67 14.646 -9.229 -5.374 1.00 12.22 H new ATOM 0 HE2 LYS A 67 12.705 -9.673 -3.885 1.00 42.21 H new ATOM 0 HE3 LYS A 67 11.624 -9.656 -5.264 1.00 42.21 H new ATOM 0 HZ1 LYS A 67 12.126 -11.902 -4.702 1.00 44.50 H new ATOM 0 HZ2 LYS A 67 12.894 -11.561 -6.177 1.00 44.50 H new ATOM 0 HZ3 LYS A 67 13.799 -11.616 -4.741 1.00 44.50 H new ATOM 1123 N TRP A 68 9.202 -5.353 -5.960 1.00 61.12 N ATOM 1124 CA TRP A 68 7.839 -5.137 -6.481 1.00 32.12 C ATOM 1125 C TRP A 68 7.667 -3.677 -6.904 1.00 13.32 C ATOM 1126 O TRP A 68 7.130 -3.397 -7.969 1.00 30.30 O ATOM 1127 CB TRP A 68 6.777 -5.529 -5.410 1.00 33.43 C ATOM 1128 CG TRP A 68 5.359 -5.661 -5.933 1.00 53.40 C ATOM 1129 CD1 TRP A 68 4.776 -6.796 -6.420 1.00 74.51 C ATOM 1130 CD2 TRP A 68 4.353 -4.632 -6.022 1.00 34.43 C ATOM 1131 NE1 TRP A 68 3.481 -6.548 -6.781 1.00 13.22 N ATOM 1132 CE2 TRP A 68 3.197 -5.227 -6.554 1.00 64.40 C ATOM 1133 CE3 TRP A 68 4.321 -3.274 -5.699 1.00 12.44 C ATOM 1134 CZ2 TRP A 68 2.019 -4.507 -6.765 1.00 64.11 C ATOM 1135 CZ3 TRP A 68 3.156 -2.561 -5.907 1.00 52.54 C ATOM 1136 CH2 TRP A 68 2.017 -3.178 -6.437 1.00 55.43 C ATOM 0 H TRP A 68 9.223 -5.582 -4.966 1.00 61.12 H new ATOM 0 HA TRP A 68 7.690 -5.773 -7.354 1.00 32.12 H new ATOM 0 HB2 TRP A 68 7.071 -6.476 -4.958 1.00 33.43 H new ATOM 0 HB3 TRP A 68 6.788 -4.780 -4.618 1.00 33.43 H new ATOM 0 HD1 TRP A 68 5.268 -7.753 -6.507 1.00 74.51 H new ATOM 0 HE1 TRP A 68 2.830 -7.236 -7.159 1.00 13.22 H new ATOM 0 HE3 TRP A 68 5.195 -2.787 -5.292 1.00 12.44 H new ATOM 0 HZ2 TRP A 68 1.139 -4.983 -7.173 1.00 64.11 H new ATOM 0 HZ3 TRP A 68 3.124 -1.511 -5.657 1.00 52.54 H new ATOM 0 HH2 TRP A 68 1.121 -2.595 -6.590 1.00 55.43 H new ATOM 1147 N ILE A 69 8.161 -2.760 -6.056 1.00 63.02 N ATOM 1148 CA ILE A 69 8.119 -1.313 -6.318 1.00 13.43 C ATOM 1149 C ILE A 69 9.015 -0.972 -7.533 1.00 75.13 C ATOM 1150 O ILE A 69 8.583 -0.240 -8.423 1.00 22.22 O ATOM 1151 CB ILE A 69 8.512 -0.477 -5.021 1.00 45.11 C ATOM 1152 CG1 ILE A 69 7.264 -0.251 -4.098 1.00 1.11 C ATOM 1153 CG2 ILE A 69 9.189 0.876 -5.350 1.00 14.40 C ATOM 1154 CD1 ILE A 69 6.700 -1.487 -3.424 1.00 55.32 C ATOM 0 H ILE A 69 8.601 -3.002 -5.168 1.00 63.02 H new ATOM 0 HA ILE A 69 7.097 -1.028 -6.566 1.00 13.43 H new ATOM 0 HB ILE A 69 9.249 -1.077 -4.487 1.00 45.11 H new ATOM 0 HG12 ILE A 69 7.535 0.468 -3.325 1.00 1.11 H new ATOM 0 HG13 ILE A 69 6.474 0.205 -4.695 1.00 1.11 H new ATOM 0 HG21 ILE A 69 9.432 1.396 -4.423 1.00 14.40 H new ATOM 0 HG22 ILE A 69 10.103 0.697 -5.916 1.00 14.40 H new ATOM 0 HG23 ILE A 69 8.509 1.488 -5.943 1.00 14.40 H new ATOM 0 HD11 ILE A 69 5.842 -1.208 -2.813 1.00 55.32 H new ATOM 0 HD12 ILE A 69 6.388 -2.205 -4.183 1.00 55.32 H new ATOM 0 HD13 ILE A 69 7.465 -1.938 -2.791 1.00 55.32 H new ATOM 1166 N ASP A 70 10.230 -1.569 -7.576 1.00 41.51 N ATOM 1167 CA ASP A 70 11.208 -1.383 -8.686 1.00 30.31 C ATOM 1168 C ASP A 70 10.582 -1.758 -10.051 1.00 4.44 C ATOM 1169 O ASP A 70 10.846 -1.115 -11.080 1.00 62.43 O ATOM 1170 CB ASP A 70 12.471 -2.247 -8.423 1.00 51.05 C ATOM 1171 CG ASP A 70 13.513 -2.182 -9.557 1.00 74.12 C ATOM 1172 OD1 ASP A 70 14.208 -1.150 -9.672 1.00 41.43 O ATOM 1173 OD2 ASP A 70 13.631 -3.148 -10.348 1.00 74.21 O ATOM 0 H ASP A 70 10.564 -2.195 -6.843 1.00 41.51 H new ATOM 0 HA ASP A 70 11.489 -0.331 -8.722 1.00 30.31 H new ATOM 0 HB2 ASP A 70 12.937 -1.920 -7.494 1.00 51.05 H new ATOM 0 HB3 ASP A 70 12.168 -3.284 -8.279 1.00 51.05 H new ATOM 1178 N LYS A 71 9.754 -2.806 -10.012 1.00 73.02 N ATOM 1179 CA LYS A 71 8.989 -3.308 -11.149 1.00 34.32 C ATOM 1180 C LYS A 71 7.945 -2.271 -11.620 1.00 73.43 C ATOM 1181 O LYS A 71 7.872 -1.967 -12.811 1.00 74.52 O ATOM 1182 CB LYS A 71 8.336 -4.652 -10.725 1.00 60.42 C ATOM 1183 CG LYS A 71 7.221 -5.177 -11.641 1.00 51.40 C ATOM 1184 CD LYS A 71 6.722 -6.580 -11.232 1.00 14.43 C ATOM 1185 CE LYS A 71 6.188 -6.627 -9.793 1.00 34.11 C ATOM 1186 NZ LYS A 71 5.837 -8.012 -9.385 1.00 61.33 N ATOM 0 H LYS A 71 9.595 -3.343 -9.159 1.00 73.02 H new ATOM 0 HA LYS A 71 9.643 -3.479 -12.004 1.00 34.32 H new ATOM 0 HB2 LYS A 71 9.117 -5.410 -10.666 1.00 60.42 H new ATOM 0 HB3 LYS A 71 7.929 -4.534 -9.721 1.00 60.42 H new ATOM 0 HG2 LYS A 71 6.384 -4.479 -11.623 1.00 51.40 H new ATOM 0 HG3 LYS A 71 7.586 -5.211 -12.667 1.00 51.40 H new ATOM 0 HD2 LYS A 71 5.935 -6.894 -11.917 1.00 14.43 H new ATOM 0 HD3 LYS A 71 7.538 -7.295 -11.335 1.00 14.43 H new ATOM 0 HE2 LYS A 71 6.939 -6.226 -9.112 1.00 34.11 H new ATOM 0 HE3 LYS A 71 5.309 -5.989 -9.710 1.00 34.11 H new ATOM 0 HZ1 LYS A 71 5.417 -7.998 -8.434 1.00 61.33 H new ATOM 0 HZ2 LYS A 71 5.153 -8.410 -10.060 1.00 61.33 H new ATOM 0 HZ3 LYS A 71 6.695 -8.599 -9.376 1.00 61.33 H new ATOM 1200 N ILE A 72 7.194 -1.698 -10.660 1.00 22.34 N ATOM 1201 CA ILE A 72 6.110 -0.730 -10.945 1.00 63.41 C ATOM 1202 C ILE A 72 6.676 0.581 -11.549 1.00 13.23 C ATOM 1203 O ILE A 72 6.051 1.187 -12.420 1.00 15.41 O ATOM 1204 CB ILE A 72 5.272 -0.409 -9.652 1.00 41.24 C ATOM 1205 CG1 ILE A 72 4.706 -1.703 -8.993 1.00 40.42 C ATOM 1206 CG2 ILE A 72 4.124 0.579 -9.945 1.00 32.45 C ATOM 1207 CD1 ILE A 72 3.690 -2.487 -9.807 1.00 61.54 C ATOM 0 H ILE A 72 7.319 -1.891 -9.666 1.00 22.34 H new ATOM 0 HA ILE A 72 5.448 -1.194 -11.677 1.00 63.41 H new ATOM 0 HB ILE A 72 5.959 0.062 -8.949 1.00 41.24 H new ATOM 0 HG12 ILE A 72 5.542 -2.363 -8.763 1.00 40.42 H new ATOM 0 HG13 ILE A 72 4.245 -1.430 -8.044 1.00 40.42 H new ATOM 0 HG21 ILE A 72 3.569 0.775 -9.027 1.00 32.45 H new ATOM 0 HG22 ILE A 72 4.536 1.513 -10.326 1.00 32.45 H new ATOM 0 HG23 ILE A 72 3.454 0.148 -10.689 1.00 32.45 H new ATOM 0 HD11 ILE A 72 3.371 -3.364 -9.244 1.00 61.54 H new ATOM 0 HD12 ILE A 72 2.826 -1.856 -10.016 1.00 61.54 H new ATOM 0 HD13 ILE A 72 4.143 -2.804 -10.746 1.00 61.54 H new ATOM 1219 N LYS A 73 7.871 0.986 -11.072 1.00 53.24 N ATOM 1220 CA LYS A 73 8.607 2.167 -11.582 1.00 0.33 C ATOM 1221 C LYS A 73 9.019 1.969 -13.054 1.00 31.33 C ATOM 1222 O LYS A 73 9.026 2.915 -13.845 1.00 13.03 O ATOM 1223 CB LYS A 73 9.882 2.393 -10.727 1.00 5.30 C ATOM 1224 CG LYS A 73 9.619 2.607 -9.222 1.00 35.42 C ATOM 1225 CD LYS A 73 10.911 2.609 -8.373 1.00 74.05 C ATOM 1226 CE LYS A 73 11.875 3.740 -8.757 1.00 51.13 C ATOM 1227 NZ LYS A 73 13.134 3.689 -7.962 1.00 51.43 N ATOM 0 H LYS A 73 8.357 0.502 -10.318 1.00 53.24 H new ATOM 0 HA LYS A 73 7.949 3.033 -11.515 1.00 0.33 H new ATOM 0 HB2 LYS A 73 10.541 1.534 -10.848 1.00 5.30 H new ATOM 0 HB3 LYS A 73 10.415 3.261 -11.116 1.00 5.30 H new ATOM 0 HG2 LYS A 73 9.098 3.554 -9.082 1.00 35.42 H new ATOM 0 HG3 LYS A 73 8.955 1.822 -8.860 1.00 35.42 H new ATOM 0 HD2 LYS A 73 10.648 2.705 -7.320 1.00 74.05 H new ATOM 0 HD3 LYS A 73 11.418 1.651 -8.489 1.00 74.05 H new ATOM 0 HE2 LYS A 73 12.113 3.670 -9.818 1.00 51.13 H new ATOM 0 HE3 LYS A 73 11.386 4.702 -8.602 1.00 51.13 H new ATOM 0 HZ1 LYS A 73 13.759 4.469 -8.251 1.00 51.43 H new ATOM 0 HZ2 LYS A 73 12.910 3.781 -6.951 1.00 51.43 H new ATOM 0 HZ3 LYS A 73 13.614 2.781 -8.129 1.00 51.43 H new ATOM 1241 N LYS A 74 9.361 0.716 -13.385 1.00 32.24 N ATOM 1242 CA LYS A 74 9.894 0.333 -14.701 1.00 41.24 C ATOM 1243 C LYS A 74 8.753 0.262 -15.744 1.00 31.25 C ATOM 1244 O LYS A 74 8.939 0.603 -16.919 1.00 2.53 O ATOM 1245 CB LYS A 74 10.628 -1.026 -14.561 1.00 44.41 C ATOM 1246 CG LYS A 74 11.538 -1.413 -15.748 1.00 62.42 C ATOM 1247 CD LYS A 74 12.243 -2.795 -15.591 1.00 5.21 C ATOM 1248 CE LYS A 74 13.184 -2.912 -14.363 1.00 13.50 C ATOM 1249 NZ LYS A 74 12.467 -3.049 -13.052 1.00 63.14 N ATOM 0 H LYS A 74 9.275 -0.069 -12.740 1.00 32.24 H new ATOM 0 HA LYS A 74 10.603 1.082 -15.053 1.00 41.24 H new ATOM 0 HB2 LYS A 74 11.233 -1.001 -13.655 1.00 44.41 H new ATOM 0 HB3 LYS A 74 9.883 -1.810 -14.426 1.00 44.41 H new ATOM 0 HG2 LYS A 74 10.941 -1.424 -16.660 1.00 62.42 H new ATOM 0 HG3 LYS A 74 12.298 -0.642 -15.874 1.00 62.42 H new ATOM 0 HD2 LYS A 74 11.480 -3.570 -15.521 1.00 5.21 H new ATOM 0 HD3 LYS A 74 12.820 -2.997 -16.493 1.00 5.21 H new ATOM 0 HE2 LYS A 74 13.837 -3.774 -14.500 1.00 13.50 H new ATOM 0 HE3 LYS A 74 13.824 -2.031 -14.324 1.00 13.50 H new ATOM 0 HZ1 LYS A 74 12.546 -2.160 -12.518 1.00 63.14 H new ATOM 0 HZ2 LYS A 74 11.464 -3.260 -13.226 1.00 63.14 H new ATOM 0 HZ3 LYS A 74 12.894 -3.822 -12.502 1.00 63.14 H new ATOM 1263 N GLU A 75 7.571 -0.185 -15.283 1.00 1.22 N ATOM 1264 CA GLU A 75 6.330 -0.198 -16.088 1.00 45.35 C ATOM 1265 C GLU A 75 5.795 1.230 -16.275 1.00 12.12 C ATOM 1266 O GLU A 75 5.350 1.614 -17.362 1.00 11.13 O ATOM 1267 CB GLU A 75 5.245 -1.048 -15.379 1.00 4.42 C ATOM 1268 CG GLU A 75 5.627 -2.514 -15.124 1.00 43.00 C ATOM 1269 CD GLU A 75 4.596 -3.239 -14.249 1.00 4.01 C ATOM 1270 OE1 GLU A 75 3.575 -3.722 -14.787 1.00 54.11 O ATOM 1271 OE2 GLU A 75 4.766 -3.281 -13.012 1.00 32.03 O ATOM 0 H GLU A 75 7.446 -0.549 -14.338 1.00 1.22 H new ATOM 0 HA GLU A 75 6.562 -0.629 -17.062 1.00 45.35 H new ATOM 0 HB2 GLU A 75 5.006 -0.580 -14.424 1.00 4.42 H new ATOM 0 HB3 GLU A 75 4.337 -1.025 -15.981 1.00 4.42 H new ATOM 0 HG2 GLU A 75 5.721 -3.034 -16.077 1.00 43.00 H new ATOM 0 HG3 GLU A 75 6.603 -2.554 -14.641 1.00 43.00 H new ATOM 1278 N ARG A 76 5.854 2.007 -15.178 1.00 52.02 N ATOM 1279 CA ARG A 76 5.216 3.329 -15.063 1.00 72.04 C ATOM 1280 C ARG A 76 6.283 4.374 -14.661 1.00 31.31 C ATOM 1281 O ARG A 76 6.457 4.665 -13.471 1.00 40.01 O ATOM 1282 CB ARG A 76 4.062 3.252 -14.010 1.00 72.51 C ATOM 1283 CG ARG A 76 3.058 2.104 -14.253 1.00 12.51 C ATOM 1284 CD ARG A 76 2.113 1.830 -13.069 1.00 51.10 C ATOM 1285 NE ARG A 76 1.331 0.593 -13.293 1.00 12.01 N ATOM 1286 CZ ARG A 76 1.808 -0.658 -13.139 1.00 45.12 C ATOM 1287 NH1 ARG A 76 3.061 -0.871 -12.743 1.00 71.23 N ATOM 1288 NH2 ARG A 76 1.043 -1.703 -13.429 1.00 12.44 N ATOM 0 H ARG A 76 6.354 1.729 -14.334 1.00 52.02 H new ATOM 0 HA ARG A 76 4.786 3.632 -16.018 1.00 72.04 H new ATOM 0 HB2 ARG A 76 4.498 3.134 -13.018 1.00 72.51 H new ATOM 0 HB3 ARG A 76 3.521 4.198 -14.010 1.00 72.51 H new ATOM 0 HG2 ARG A 76 2.460 2.340 -15.133 1.00 12.51 H new ATOM 0 HG3 ARG A 76 3.613 1.193 -14.479 1.00 12.51 H new ATOM 0 HD2 ARG A 76 2.692 1.738 -12.150 1.00 51.10 H new ATOM 0 HD3 ARG A 76 1.436 2.674 -12.936 1.00 51.10 H new ATOM 0 HE ARG A 76 0.359 0.695 -13.586 1.00 12.01 H new ATOM 0 HH11 ARG A 76 3.676 -0.081 -12.551 1.00 71.23 H new ATOM 0 HH12 ARG A 76 3.406 -1.825 -12.632 1.00 71.23 H new ATOM 0 HH21 ARG A 76 0.092 -1.560 -13.769 1.00 12.44 H new ATOM 0 HH22 ARG A 76 1.406 -2.649 -13.312 1.00 12.44 H new ATOM 1302 N PRO A 77 7.055 4.934 -15.652 1.00 32.23 N ATOM 1303 CA PRO A 77 8.096 5.954 -15.390 1.00 12.25 C ATOM 1304 C PRO A 77 7.524 7.394 -15.382 1.00 13.03 C ATOM 1305 O PRO A 77 8.234 8.359 -15.686 1.00 2.22 O ATOM 1306 CB PRO A 77 9.071 5.715 -16.566 1.00 74.24 C ATOM 1307 CG PRO A 77 8.185 5.329 -17.716 1.00 72.12 C ATOM 1308 CD PRO A 77 6.996 4.595 -17.106 1.00 41.23 C ATOM 0 HA PRO A 77 8.561 5.863 -14.408 1.00 12.25 H new ATOM 0 HB2 PRO A 77 9.647 6.612 -16.793 1.00 74.24 H new ATOM 0 HB3 PRO A 77 9.787 4.926 -16.334 1.00 74.24 H new ATOM 0 HG2 PRO A 77 7.858 6.210 -18.268 1.00 72.12 H new ATOM 0 HG3 PRO A 77 8.717 4.690 -18.421 1.00 72.12 H new ATOM 0 HD2 PRO A 77 6.056 4.921 -17.552 1.00 41.23 H new ATOM 0 HD3 PRO A 77 7.068 3.519 -17.266 1.00 41.23 H new ATOM 1316 N GLN A 78 6.236 7.519 -15.012 1.00 10.11 N ATOM 1317 CA GLN A 78 5.496 8.799 -14.986 1.00 54.03 C ATOM 1318 C GLN A 78 5.285 9.295 -13.545 1.00 5.12 C ATOM 1319 O GLN A 78 4.970 10.475 -13.318 1.00 53.35 O ATOM 1320 CB GLN A 78 4.109 8.612 -15.672 1.00 3.10 C ATOM 1321 CG GLN A 78 4.176 8.149 -17.144 1.00 73.13 C ATOM 1322 CD GLN A 78 2.809 8.009 -17.841 1.00 64.30 C ATOM 1323 OE1 GLN A 78 2.643 7.177 -18.738 1.00 33.03 O ATOM 1324 NE2 GLN A 78 1.823 8.815 -17.464 1.00 14.22 N ATOM 0 H GLN A 78 5.670 6.723 -14.718 1.00 10.11 H new ATOM 0 HA GLN A 78 6.086 9.542 -15.523 1.00 54.03 H new ATOM 0 HB2 GLN A 78 3.532 7.884 -15.102 1.00 3.10 H new ATOM 0 HB3 GLN A 78 3.566 9.556 -15.626 1.00 3.10 H new ATOM 0 HG2 GLN A 78 4.783 8.859 -17.706 1.00 73.13 H new ATOM 0 HG3 GLN A 78 4.689 7.188 -17.185 1.00 73.13 H new ATOM 0 HE21 GLN A 78 1.977 9.497 -16.721 1.00 14.22 H new ATOM 0 HE22 GLN A 78 0.911 8.752 -17.917 1.00 14.22 H new ATOM 1333 N LEU A 79 5.482 8.393 -12.571 1.00 62.01 N ATOM 1334 CA LEU A 79 5.009 8.574 -11.191 1.00 1.03 C ATOM 1335 C LEU A 79 6.049 8.115 -10.151 1.00 22.32 C ATOM 1336 O LEU A 79 6.933 7.300 -10.457 1.00 23.52 O ATOM 1337 CB LEU A 79 3.636 7.831 -11.028 1.00 53.21 C ATOM 1338 CG LEU A 79 3.485 6.418 -11.709 1.00 64.03 C ATOM 1339 CD1 LEU A 79 4.265 5.315 -10.973 1.00 61.43 C ATOM 1340 CD2 LEU A 79 1.999 6.029 -11.871 1.00 45.30 C ATOM 0 H LEU A 79 5.976 7.513 -12.720 1.00 62.01 H new ATOM 0 HA LEU A 79 4.864 9.637 -11.001 1.00 1.03 H new ATOM 0 HB2 LEU A 79 3.443 7.712 -9.962 1.00 53.21 H new ATOM 0 HB3 LEU A 79 2.854 8.480 -11.423 1.00 53.21 H new ATOM 0 HG LEU A 79 3.927 6.507 -12.701 1.00 64.03 H new ATOM 0 HD11 LEU A 79 4.124 4.364 -11.487 1.00 61.43 H new ATOM 0 HD12 LEU A 79 5.326 5.566 -10.960 1.00 61.43 H new ATOM 0 HD13 LEU A 79 3.899 5.232 -9.950 1.00 61.43 H new ATOM 0 HD21 LEU A 79 1.929 5.049 -12.344 1.00 45.30 H new ATOM 0 HD22 LEU A 79 1.523 5.994 -10.891 1.00 45.30 H new ATOM 0 HD23 LEU A 79 1.495 6.769 -12.493 1.00 45.30 H new ATOM 1352 N GLU A 80 5.948 8.687 -8.931 1.00 22.10 N ATOM 1353 CA GLU A 80 6.654 8.173 -7.751 1.00 71.12 C ATOM 1354 C GLU A 80 5.949 6.892 -7.278 1.00 61.22 C ATOM 1355 O GLU A 80 4.721 6.832 -7.282 1.00 43.01 O ATOM 1356 CB GLU A 80 6.662 9.198 -6.581 1.00 12.33 C ATOM 1357 CG GLU A 80 7.454 10.503 -6.805 1.00 30.12 C ATOM 1358 CD GLU A 80 7.551 11.363 -5.524 1.00 62.22 C ATOM 1359 OE1 GLU A 80 8.168 10.895 -4.534 1.00 54.22 O ATOM 1360 OE2 GLU A 80 6.979 12.477 -5.477 1.00 73.42 O ATOM 0 H GLU A 80 5.378 9.512 -8.744 1.00 22.10 H new ATOM 0 HA GLU A 80 7.688 7.979 -8.035 1.00 71.12 H new ATOM 0 HB2 GLU A 80 5.629 9.462 -6.354 1.00 12.33 H new ATOM 0 HB3 GLU A 80 7.066 8.703 -5.698 1.00 12.33 H new ATOM 0 HG2 GLU A 80 8.458 10.260 -7.153 1.00 30.12 H new ATOM 0 HG3 GLU A 80 6.976 11.084 -7.594 1.00 30.12 H new ATOM 1367 N VAL A 81 6.730 5.873 -6.906 1.00 72.24 N ATOM 1368 CA VAL A 81 6.218 4.660 -6.250 1.00 62.50 C ATOM 1369 C VAL A 81 6.845 4.611 -4.845 1.00 42.15 C ATOM 1370 O VAL A 81 8.031 4.293 -4.695 1.00 63.34 O ATOM 1371 CB VAL A 81 6.548 3.353 -7.080 1.00 42.15 C ATOM 1372 CG1 VAL A 81 5.814 2.122 -6.507 1.00 31.33 C ATOM 1373 CG2 VAL A 81 6.209 3.540 -8.578 1.00 12.21 C ATOM 0 H VAL A 81 7.740 5.864 -7.051 1.00 72.24 H new ATOM 0 HA VAL A 81 5.131 4.697 -6.185 1.00 62.50 H new ATOM 0 HB VAL A 81 7.620 3.176 -6.994 1.00 42.15 H new ATOM 0 HG11 VAL A 81 6.062 1.242 -7.100 1.00 31.33 H new ATOM 0 HG12 VAL A 81 6.123 1.963 -5.474 1.00 31.33 H new ATOM 0 HG13 VAL A 81 4.738 2.291 -6.542 1.00 31.33 H new ATOM 0 HG21 VAL A 81 6.447 2.626 -9.122 1.00 12.21 H new ATOM 0 HG22 VAL A 81 5.147 3.761 -8.686 1.00 12.21 H new ATOM 0 HG23 VAL A 81 6.794 4.365 -8.983 1.00 12.21 H new ATOM 1383 N ARG A 82 6.047 4.974 -3.829 1.00 50.02 N ATOM 1384 CA ARG A 82 6.528 5.215 -2.452 1.00 62.41 C ATOM 1385 C ARG A 82 6.294 3.957 -1.594 1.00 64.31 C ATOM 1386 O ARG A 82 5.241 3.337 -1.706 1.00 52.43 O ATOM 1387 CB ARG A 82 5.757 6.431 -1.857 1.00 73.44 C ATOM 1388 CG ARG A 82 6.243 6.929 -0.474 1.00 61.22 C ATOM 1389 CD ARG A 82 7.621 7.621 -0.531 1.00 53.41 C ATOM 1390 NE ARG A 82 7.589 8.856 -1.351 1.00 71.23 N ATOM 1391 CZ ARG A 82 7.460 10.109 -0.863 1.00 52.24 C ATOM 1392 NH1 ARG A 82 7.367 10.324 0.445 1.00 24.43 N ATOM 1393 NH2 ARG A 82 7.422 11.148 -1.686 1.00 42.44 N ATOM 0 H ARG A 82 5.042 5.111 -3.937 1.00 50.02 H new ATOM 0 HA ARG A 82 7.596 5.434 -2.460 1.00 62.41 H new ATOM 0 HB2 ARG A 82 5.822 7.259 -2.563 1.00 73.44 H new ATOM 0 HB3 ARG A 82 4.703 6.164 -1.776 1.00 73.44 H new ATOM 0 HG2 ARG A 82 5.510 7.625 -0.067 1.00 61.22 H new ATOM 0 HG3 ARG A 82 6.295 6.084 0.212 1.00 61.22 H new ATOM 0 HD2 ARG A 82 7.946 7.866 0.480 1.00 53.41 H new ATOM 0 HD3 ARG A 82 8.357 6.931 -0.944 1.00 53.41 H new ATOM 0 HE ARG A 82 7.671 8.751 -2.362 1.00 71.23 H new ATOM 0 HH11 ARG A 82 7.393 9.538 1.094 1.00 24.43 H new ATOM 0 HH12 ARG A 82 7.270 11.275 0.800 1.00 24.43 H new ATOM 0 HH21 ARG A 82 7.490 11.003 -2.693 1.00 42.44 H new ATOM 0 HH22 ARG A 82 7.324 12.092 -1.312 1.00 42.44 H new ATOM 1407 N LYS A 83 7.274 3.579 -0.751 1.00 52.11 N ATOM 1408 CA LYS A 83 7.141 2.431 0.172 1.00 70.54 C ATOM 1409 C LYS A 83 6.752 2.912 1.569 1.00 20.42 C ATOM 1410 O LYS A 83 7.412 3.775 2.147 1.00 30.33 O ATOM 1411 CB LYS A 83 8.448 1.592 0.236 1.00 44.53 C ATOM 1412 CG LYS A 83 8.609 0.620 -0.940 1.00 24.40 C ATOM 1413 CD LYS A 83 9.858 -0.280 -0.837 1.00 73.12 C ATOM 1414 CE LYS A 83 9.953 -1.039 0.498 1.00 72.43 C ATOM 1415 NZ LYS A 83 11.107 -1.987 0.539 1.00 4.41 N ATOM 0 H LYS A 83 8.174 4.055 -0.689 1.00 52.11 H new ATOM 0 HA LYS A 83 6.351 1.787 -0.215 1.00 70.54 H new ATOM 0 HB2 LYS A 83 9.303 2.267 0.259 1.00 44.53 H new ATOM 0 HB3 LYS A 83 8.463 1.028 1.168 1.00 44.53 H new ATOM 0 HG2 LYS A 83 7.722 -0.011 -1.002 1.00 24.40 H new ATOM 0 HG3 LYS A 83 8.659 1.191 -1.867 1.00 24.40 H new ATOM 0 HD2 LYS A 83 9.847 -0.999 -1.656 1.00 73.12 H new ATOM 0 HD3 LYS A 83 10.750 0.333 -0.963 1.00 73.12 H new ATOM 0 HE2 LYS A 83 10.047 -0.322 1.313 1.00 72.43 H new ATOM 0 HE3 LYS A 83 9.028 -1.591 0.665 1.00 72.43 H new ATOM 0 HZ1 LYS A 83 11.239 -2.332 1.511 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 10.917 -2.792 -0.091 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 11.969 -1.498 0.225 1.00 4.41 H new ATOM 1429 N VAL A 84 5.649 2.354 2.078 1.00 1.50 N ATOM 1430 CA VAL A 84 5.120 2.621 3.429 1.00 23.52 C ATOM 1431 C VAL A 84 4.991 1.296 4.194 1.00 62.41 C ATOM 1432 O VAL A 84 3.982 0.616 4.097 1.00 31.12 O ATOM 1433 CB VAL A 84 3.721 3.353 3.321 1.00 22.11 C ATOM 1434 CG1 VAL A 84 2.990 3.472 4.680 1.00 72.11 C ATOM 1435 CG2 VAL A 84 3.881 4.735 2.654 1.00 23.42 C ATOM 0 H VAL A 84 5.082 1.688 1.553 1.00 1.50 H new ATOM 0 HA VAL A 84 5.803 3.273 3.974 1.00 23.52 H new ATOM 0 HB VAL A 84 3.089 2.727 2.691 1.00 22.11 H new ATOM 0 HG11 VAL A 84 2.038 3.983 4.537 1.00 72.11 H new ATOM 0 HG12 VAL A 84 2.810 2.476 5.085 1.00 72.11 H new ATOM 0 HG13 VAL A 84 3.606 4.041 5.376 1.00 72.11 H new ATOM 0 HG21 VAL A 84 2.908 5.222 2.589 1.00 23.42 H new ATOM 0 HG22 VAL A 84 4.556 5.350 3.249 1.00 23.42 H new ATOM 0 HG23 VAL A 84 4.292 4.610 1.652 1.00 23.42 H new ATOM 1445 N THR A 85 6.033 0.910 4.928 1.00 20.21 N ATOM 1446 CA THR A 85 6.051 -0.363 5.676 1.00 41.12 C ATOM 1447 C THR A 85 5.465 -0.192 7.092 1.00 64.04 C ATOM 1448 O THR A 85 4.918 -1.140 7.678 1.00 42.34 O ATOM 1449 CB THR A 85 7.499 -0.935 5.727 1.00 35.33 C ATOM 1450 OG1 THR A 85 8.396 0.049 6.271 1.00 70.14 O ATOM 1451 CG2 THR A 85 7.990 -1.353 4.325 1.00 55.41 C ATOM 0 H THR A 85 6.886 1.460 5.026 1.00 20.21 H new ATOM 0 HA THR A 85 5.417 -1.078 5.152 1.00 41.12 H new ATOM 0 HB THR A 85 7.485 -1.819 6.365 1.00 35.33 H new ATOM 0 HG1 THR A 85 8.205 0.174 7.224 1.00 70.14 H new ATOM 0 HG21 THR A 85 9.004 -1.748 4.397 1.00 55.41 H new ATOM 0 HG22 THR A 85 7.329 -2.121 3.922 1.00 55.41 H new ATOM 0 HG23 THR A 85 7.984 -0.486 3.664 1.00 55.41 H new ATOM 1459 N ASP A 86 5.574 1.035 7.626 1.00 43.20 N ATOM 1460 CA ASP A 86 5.088 1.392 8.977 1.00 24.00 C ATOM 1461 C ASP A 86 3.922 2.394 8.885 1.00 53.12 C ATOM 1462 O ASP A 86 3.800 3.129 7.902 1.00 34.41 O ATOM 1463 CB ASP A 86 6.247 1.991 9.821 1.00 25.13 C ATOM 1464 CG ASP A 86 7.371 0.980 10.109 1.00 23.40 C ATOM 1465 OD1 ASP A 86 8.226 0.749 9.221 1.00 72.24 O ATOM 1466 OD2 ASP A 86 7.410 0.395 11.212 1.00 74.21 O ATOM 0 H ASP A 86 6.005 1.816 7.132 1.00 43.20 H new ATOM 0 HA ASP A 86 4.727 0.487 9.466 1.00 24.00 H new ATOM 0 HB2 ASP A 86 6.665 2.849 9.295 1.00 25.13 H new ATOM 0 HB3 ASP A 86 5.847 2.359 10.766 1.00 25.13 H new ATOM 1471 N GLU A 87 3.073 2.398 9.933 1.00 70.03 N ATOM 1472 CA GLU A 87 1.946 3.343 10.096 1.00 41.21 C ATOM 1473 C GLU A 87 2.439 4.805 10.164 1.00 22.44 C ATOM 1474 O GLU A 87 1.746 5.724 9.706 1.00 61.23 O ATOM 1475 CB GLU A 87 1.171 2.989 11.388 1.00 45.32 C ATOM 1476 CG GLU A 87 -0.029 3.912 11.703 1.00 53.05 C ATOM 1477 CD GLU A 87 -0.483 3.809 13.163 1.00 3.23 C ATOM 1478 OE1 GLU A 87 -1.259 2.893 13.499 1.00 11.14 O ATOM 1479 OE2 GLU A 87 -0.033 4.636 13.996 1.00 2.54 O ATOM 0 H GLU A 87 3.151 1.734 10.703 1.00 70.03 H new ATOM 0 HA GLU A 87 1.292 3.254 9.229 1.00 41.21 H new ATOM 0 HB2 GLU A 87 0.810 1.964 11.308 1.00 45.32 H new ATOM 0 HB3 GLU A 87 1.864 3.019 12.229 1.00 45.32 H new ATOM 0 HG2 GLU A 87 0.243 4.944 11.483 1.00 53.05 H new ATOM 0 HG3 GLU A 87 -0.862 3.656 11.048 1.00 53.05 H new ATOM 1486 N ASP A 88 3.631 4.998 10.767 1.00 32.52 N ATOM 1487 CA ASP A 88 4.326 6.304 10.827 1.00 74.53 C ATOM 1488 C ASP A 88 4.472 6.920 9.428 1.00 3.22 C ATOM 1489 O ASP A 88 4.243 8.117 9.224 1.00 21.31 O ATOM 1490 CB ASP A 88 5.722 6.115 11.475 1.00 64.12 C ATOM 1491 CG ASP A 88 6.522 7.426 11.587 1.00 63.34 C ATOM 1492 OD1 ASP A 88 6.222 8.235 12.495 1.00 0.15 O ATOM 1493 OD2 ASP A 88 7.443 7.659 10.768 1.00 35.30 O ATOM 0 H ASP A 88 4.143 4.247 11.230 1.00 32.52 H new ATOM 0 HA ASP A 88 3.730 6.987 11.432 1.00 74.53 H new ATOM 0 HB2 ASP A 88 5.599 5.686 12.470 1.00 64.12 H new ATOM 0 HB3 ASP A 88 6.294 5.397 10.887 1.00 64.12 H new ATOM 1498 N GLN A 89 4.806 6.050 8.474 1.00 1.44 N ATOM 1499 CA GLN A 89 5.034 6.417 7.073 1.00 0.15 C ATOM 1500 C GLN A 89 3.700 6.714 6.366 1.00 10.33 C ATOM 1501 O GLN A 89 3.656 7.524 5.439 1.00 55.12 O ATOM 1502 CB GLN A 89 5.796 5.280 6.362 1.00 71.22 C ATOM 1503 CG GLN A 89 7.077 4.843 7.090 1.00 71.33 C ATOM 1504 CD GLN A 89 7.753 3.638 6.456 1.00 73.13 C ATOM 1505 OE1 GLN A 89 7.670 3.421 5.255 1.00 14.33 O ATOM 1506 NE2 GLN A 89 8.417 2.836 7.256 1.00 11.24 N ATOM 0 H GLN A 89 4.928 5.054 8.655 1.00 1.44 H new ATOM 0 HA GLN A 89 5.637 7.324 7.033 1.00 0.15 H new ATOM 0 HB2 GLN A 89 5.135 4.419 6.261 1.00 71.22 H new ATOM 0 HB3 GLN A 89 6.054 5.603 5.354 1.00 71.22 H new ATOM 0 HG2 GLN A 89 7.779 5.677 7.106 1.00 71.33 H new ATOM 0 HG3 GLN A 89 6.835 4.610 8.127 1.00 71.33 H new ATOM 0 HE21 GLN A 89 8.470 3.041 8.254 1.00 11.24 H new ATOM 0 HE22 GLN A 89 8.879 2.008 6.880 1.00 11.24 H new ATOM 1515 N ALA A 90 2.624 6.036 6.819 1.00 2.43 N ATOM 1516 CA ALA A 90 1.245 6.272 6.338 1.00 33.32 C ATOM 1517 C ALA A 90 0.713 7.651 6.794 1.00 31.12 C ATOM 1518 O ALA A 90 -0.180 8.226 6.160 1.00 54.45 O ATOM 1519 CB ALA A 90 0.320 5.126 6.781 1.00 54.14 C ATOM 0 H ALA A 90 2.687 5.308 7.530 1.00 2.43 H new ATOM 0 HA ALA A 90 1.261 6.288 5.248 1.00 33.32 H new ATOM 0 HB1 ALA A 90 -0.691 5.314 6.420 1.00 54.14 H new ATOM 0 HB2 ALA A 90 0.684 4.185 6.369 1.00 54.14 H new ATOM 0 HB3 ALA A 90 0.311 5.066 7.869 1.00 54.14 H new ATOM 1525 N LYS A 91 1.238 8.141 7.926 1.00 11.23 N ATOM 1526 CA LYS A 91 0.986 9.514 8.418 1.00 11.34 C ATOM 1527 C LYS A 91 1.967 10.548 7.812 1.00 1.40 C ATOM 1528 O LYS A 91 1.660 11.747 7.764 1.00 73.14 O ATOM 1529 CB LYS A 91 1.009 9.516 9.968 1.00 3.44 C ATOM 1530 CG LYS A 91 -0.131 8.669 10.586 1.00 33.02 C ATOM 1531 CD LYS A 91 -0.070 8.564 12.123 1.00 0.54 C ATOM 1532 CE LYS A 91 -1.229 7.732 12.698 1.00 52.13 C ATOM 1533 NZ LYS A 91 -1.097 7.516 14.165 1.00 4.03 N ATOM 0 H LYS A 91 1.853 7.598 8.533 1.00 11.23 H new ATOM 0 HA LYS A 91 -0.003 9.827 8.084 1.00 11.34 H new ATOM 0 HB2 LYS A 91 1.969 9.132 10.313 1.00 3.44 H new ATOM 0 HB3 LYS A 91 0.929 10.542 10.327 1.00 3.44 H new ATOM 0 HG2 LYS A 91 -1.089 9.103 10.299 1.00 33.02 H new ATOM 0 HG3 LYS A 91 -0.096 7.666 10.162 1.00 33.02 H new ATOM 0 HD2 LYS A 91 0.878 8.114 12.417 1.00 0.54 H new ATOM 0 HD3 LYS A 91 -0.095 9.565 12.555 1.00 0.54 H new ATOM 0 HE2 LYS A 91 -2.173 8.236 12.491 1.00 52.13 H new ATOM 0 HE3 LYS A 91 -1.266 6.767 12.193 1.00 52.13 H new ATOM 0 HZ1 LYS A 91 -2.029 7.616 14.616 1.00 4.03 H new ATOM 0 HZ2 LYS A 91 -0.727 6.560 14.343 1.00 4.03 H new ATOM 0 HZ3 LYS A 91 -0.443 8.220 14.562 1.00 4.03 H new ATOM 1547 N GLN A 92 3.141 10.084 7.346 1.00 45.21 N ATOM 1548 CA GLN A 92 4.149 10.950 6.689 1.00 73.04 C ATOM 1549 C GLN A 92 3.647 11.370 5.288 1.00 0.21 C ATOM 1550 O GLN A 92 3.710 12.552 4.921 1.00 71.24 O ATOM 1551 CB GLN A 92 5.523 10.207 6.620 1.00 63.13 C ATOM 1552 CG GLN A 92 6.739 11.028 6.085 1.00 53.22 C ATOM 1553 CD GLN A 92 6.931 10.977 4.560 1.00 23.25 C ATOM 1554 OE1 GLN A 92 7.616 10.096 4.041 1.00 51.12 O ATOM 1555 NE2 GLN A 92 6.361 11.922 3.832 1.00 44.35 N ATOM 0 H GLN A 92 3.421 9.105 7.411 1.00 45.21 H new ATOM 0 HA GLN A 92 4.294 11.858 7.274 1.00 73.04 H new ATOM 0 HB2 GLN A 92 5.767 9.850 7.621 1.00 63.13 H new ATOM 0 HB3 GLN A 92 5.402 9.327 5.988 1.00 63.13 H new ATOM 0 HG2 GLN A 92 6.618 12.068 6.387 1.00 53.22 H new ATOM 0 HG3 GLN A 92 7.647 10.660 6.564 1.00 53.22 H new ATOM 0 HE21 GLN A 92 5.797 12.643 4.283 1.00 44.35 H new ATOM 0 HE22 GLN A 92 6.485 11.930 2.820 1.00 44.35 H new ATOM 1564 N ILE A 93 3.153 10.377 4.515 1.00 60.41 N ATOM 1565 CA ILE A 93 2.581 10.604 3.163 1.00 20.51 C ATOM 1566 C ILE A 93 1.359 11.550 3.182 1.00 53.21 C ATOM 1567 O ILE A 93 1.108 12.229 2.193 1.00 3.34 O ATOM 1568 CB ILE A 93 2.225 9.264 2.427 1.00 54.44 C ATOM 1569 CG1 ILE A 93 1.315 8.402 3.334 1.00 45.01 C ATOM 1570 CG2 ILE A 93 3.505 8.510 1.996 1.00 35.11 C ATOM 1571 CD1 ILE A 93 0.976 7.029 2.811 1.00 40.32 C ATOM 0 H ILE A 93 3.138 9.400 4.806 1.00 60.41 H new ATOM 0 HA ILE A 93 3.371 11.097 2.596 1.00 20.51 H new ATOM 0 HB ILE A 93 1.676 9.489 1.513 1.00 54.44 H new ATOM 0 HG12 ILE A 93 1.801 8.291 4.303 1.00 45.01 H new ATOM 0 HG13 ILE A 93 0.385 8.945 3.504 1.00 45.01 H new ATOM 0 HG21 ILE A 93 3.229 7.586 1.489 1.00 35.11 H new ATOM 0 HG22 ILE A 93 4.086 9.136 1.319 1.00 35.11 H new ATOM 0 HG23 ILE A 93 4.103 8.276 2.877 1.00 35.11 H new ATOM 0 HD11 ILE A 93 0.335 6.515 3.527 1.00 40.32 H new ATOM 0 HD12 ILE A 93 0.455 7.121 1.858 1.00 40.32 H new ATOM 0 HD13 ILE A 93 1.893 6.457 2.669 1.00 40.32 H new ATOM 1583 N LEU A 94 0.612 11.592 4.309 1.00 23.42 N ATOM 1584 CA LEU A 94 -0.440 12.613 4.531 1.00 54.22 C ATOM 1585 C LEU A 94 0.137 14.039 4.324 1.00 21.34 C ATOM 1586 O LEU A 94 -0.426 14.842 3.577 1.00 3.40 O ATOM 1587 CB LEU A 94 -1.060 12.472 5.955 1.00 2.43 C ATOM 1588 CG LEU A 94 -1.900 11.181 6.219 1.00 51.35 C ATOM 1589 CD1 LEU A 94 -2.330 11.079 7.698 1.00 73.41 C ATOM 1590 CD2 LEU A 94 -3.127 11.117 5.286 1.00 0.02 C ATOM 0 H LEU A 94 0.718 10.931 5.079 1.00 23.42 H new ATOM 0 HA LEU A 94 -1.233 12.451 3.801 1.00 54.22 H new ATOM 0 HB2 LEU A 94 -0.252 12.510 6.685 1.00 2.43 H new ATOM 0 HB3 LEU A 94 -1.696 13.338 6.139 1.00 2.43 H new ATOM 0 HG LEU A 94 -1.261 10.325 5.999 1.00 51.35 H new ATOM 0 HD11 LEU A 94 -2.912 10.169 7.846 1.00 73.41 H new ATOM 0 HD12 LEU A 94 -1.445 11.050 8.333 1.00 73.41 H new ATOM 0 HD13 LEU A 94 -2.937 11.945 7.961 1.00 73.41 H new ATOM 0 HD21 LEU A 94 -3.693 10.209 5.491 1.00 0.02 H new ATOM 0 HD22 LEU A 94 -3.761 11.987 5.458 1.00 0.02 H new ATOM 0 HD23 LEU A 94 -2.795 11.110 4.248 1.00 0.02 H new ATOM 1602 N GLU A 95 1.289 14.310 4.964 1.00 63.35 N ATOM 1603 CA GLU A 95 2.000 15.605 4.858 1.00 54.14 C ATOM 1604 C GLU A 95 2.720 15.759 3.498 1.00 43.40 C ATOM 1605 O GLU A 95 2.876 16.870 2.997 1.00 22.01 O ATOM 1606 CB GLU A 95 3.015 15.730 6.024 1.00 11.42 C ATOM 1607 CG GLU A 95 2.382 15.636 7.427 1.00 3.02 C ATOM 1608 CD GLU A 95 1.276 16.686 7.657 1.00 53.40 C ATOM 1609 OE1 GLU A 95 1.609 17.847 7.976 1.00 54.30 O ATOM 1610 OE2 GLU A 95 0.073 16.355 7.514 1.00 74.13 O ATOM 0 H GLU A 95 1.757 13.638 5.572 1.00 63.35 H new ATOM 0 HA GLU A 95 1.262 16.405 4.923 1.00 54.14 H new ATOM 0 HB2 GLU A 95 3.765 14.946 5.923 1.00 11.42 H new ATOM 0 HB3 GLU A 95 3.536 16.683 5.936 1.00 11.42 H new ATOM 0 HG2 GLU A 95 1.964 14.639 7.566 1.00 3.02 H new ATOM 0 HG3 GLU A 95 3.159 15.763 8.180 1.00 3.02 H new ATOM 1617 N ASP A 96 3.080 14.616 2.902 1.00 43.35 N ATOM 1618 CA ASP A 96 3.849 14.540 1.635 1.00 20.12 C ATOM 1619 C ASP A 96 3.029 15.121 0.472 1.00 53.11 C ATOM 1620 O ASP A 96 3.536 15.873 -0.372 1.00 4.50 O ATOM 1621 CB ASP A 96 4.200 13.066 1.337 1.00 25.33 C ATOM 1622 CG ASP A 96 5.196 12.871 0.196 1.00 65.02 C ATOM 1623 OD1 ASP A 96 6.412 13.031 0.448 1.00 50.42 O ATOM 1624 OD2 ASP A 96 4.781 12.528 -0.941 1.00 21.43 O ATOM 0 H ASP A 96 2.846 13.700 3.285 1.00 43.35 H new ATOM 0 HA ASP A 96 4.764 15.123 1.741 1.00 20.12 H new ATOM 0 HB2 ASP A 96 4.608 12.613 2.240 1.00 25.33 H new ATOM 0 HB3 ASP A 96 3.283 12.528 1.098 1.00 25.33 H new ATOM 1629 N LEU A 97 1.742 14.756 0.481 1.00 43.54 N ATOM 1630 CA LEU A 97 0.779 15.118 -0.561 1.00 3.52 C ATOM 1631 C LEU A 97 0.265 16.552 -0.383 1.00 45.15 C ATOM 1632 O LEU A 97 -0.096 17.188 -1.368 1.00 34.32 O ATOM 1633 CB LEU A 97 -0.375 14.089 -0.547 1.00 53.42 C ATOM 1634 CG LEU A 97 0.091 12.608 -0.701 1.00 65.52 C ATOM 1635 CD1 LEU A 97 -1.055 11.627 -0.478 1.00 23.21 C ATOM 1636 CD2 LEU A 97 0.798 12.365 -2.045 1.00 11.21 C ATOM 0 H LEU A 97 1.335 14.191 1.226 1.00 43.54 H new ATOM 0 HA LEU A 97 1.271 15.092 -1.533 1.00 3.52 H new ATOM 0 HB2 LEU A 97 -0.926 14.190 0.388 1.00 53.42 H new ATOM 0 HB3 LEU A 97 -1.069 14.326 -1.353 1.00 53.42 H new ATOM 0 HG LEU A 97 0.826 12.424 0.082 1.00 65.52 H new ATOM 0 HD11 LEU A 97 -0.689 10.607 -0.594 1.00 23.21 H new ATOM 0 HD12 LEU A 97 -1.454 11.757 0.528 1.00 23.21 H new ATOM 0 HD13 LEU A 97 -1.842 11.815 -1.208 1.00 23.21 H new ATOM 0 HD21 LEU A 97 1.106 11.321 -2.111 1.00 11.21 H new ATOM 0 HD22 LEU A 97 0.114 12.594 -2.862 1.00 11.21 H new ATOM 0 HD23 LEU A 97 1.676 13.007 -2.116 1.00 11.21 H new ATOM 1648 N LYS A 98 0.264 17.069 0.871 1.00 74.42 N ATOM 1649 CA LYS A 98 -0.095 18.483 1.156 1.00 40.11 C ATOM 1650 C LYS A 98 1.043 19.413 0.679 1.00 43.00 C ATOM 1651 O LYS A 98 0.805 20.530 0.218 1.00 23.02 O ATOM 1652 CB LYS A 98 -0.363 18.703 2.673 1.00 40.03 C ATOM 1653 CG LYS A 98 -1.513 17.869 3.272 1.00 21.13 C ATOM 1654 CD LYS A 98 -2.875 18.142 2.606 1.00 43.03 C ATOM 1655 CE LYS A 98 -4.008 17.308 3.221 1.00 31.31 C ATOM 1656 NZ LYS A 98 -5.292 17.516 2.505 1.00 33.44 N ATOM 0 H LYS A 98 0.508 16.529 1.701 1.00 74.42 H new ATOM 0 HA LYS A 98 -1.012 18.720 0.616 1.00 40.11 H new ATOM 0 HB2 LYS A 98 0.551 18.477 3.222 1.00 40.03 H new ATOM 0 HB3 LYS A 98 -0.580 19.759 2.836 1.00 40.03 H new ATOM 0 HG2 LYS A 98 -1.274 16.810 3.174 1.00 21.13 H new ATOM 0 HG3 LYS A 98 -1.589 18.081 4.339 1.00 21.13 H new ATOM 0 HD2 LYS A 98 -3.116 19.201 2.700 1.00 43.03 H new ATOM 0 HD3 LYS A 98 -2.805 17.924 1.540 1.00 43.03 H new ATOM 0 HE2 LYS A 98 -3.741 16.252 3.190 1.00 31.31 H new ATOM 0 HE3 LYS A 98 -4.129 17.576 4.271 1.00 31.31 H new ATOM 0 HZ1 LYS A 98 -6.030 16.924 2.937 1.00 33.44 H new ATOM 0 HZ2 LYS A 98 -5.568 18.517 2.570 1.00 33.44 H new ATOM 0 HZ3 LYS A 98 -5.179 17.253 1.505 1.00 33.44 H new ATOM 1670 N LYS A 99 2.289 18.914 0.821 1.00 74.35 N ATOM 1671 CA LYS A 99 3.503 19.561 0.272 1.00 31.32 C ATOM 1672 C LYS A 99 3.595 19.351 -1.252 1.00 74.01 C ATOM 1673 O LYS A 99 4.368 20.039 -1.927 1.00 22.24 O ATOM 1674 CB LYS A 99 4.778 19.017 0.978 1.00 14.40 C ATOM 1675 CG LYS A 99 4.800 19.272 2.504 1.00 2.42 C ATOM 1676 CD LYS A 99 6.086 18.794 3.224 1.00 63.25 C ATOM 1677 CE LYS A 99 7.275 19.751 3.059 1.00 62.24 C ATOM 1678 NZ LYS A 99 7.811 19.794 1.673 1.00 54.42 N ATOM 0 H LYS A 99 2.484 18.047 1.322 1.00 74.35 H new ATOM 0 HA LYS A 99 3.434 20.632 0.463 1.00 31.32 H new ATOM 0 HB2 LYS A 99 4.854 17.945 0.796 1.00 14.40 H new ATOM 0 HB3 LYS A 99 5.657 19.479 0.528 1.00 14.40 H new ATOM 0 HG2 LYS A 99 4.677 20.340 2.681 1.00 2.42 H new ATOM 0 HG3 LYS A 99 3.942 18.773 2.954 1.00 2.42 H new ATOM 0 HD2 LYS A 99 5.874 18.672 4.286 1.00 63.25 H new ATOM 0 HD3 LYS A 99 6.364 17.813 2.840 1.00 63.25 H new ATOM 0 HE2 LYS A 99 6.967 20.755 3.353 1.00 62.24 H new ATOM 0 HE3 LYS A 99 8.071 19.450 3.739 1.00 62.24 H new ATOM 0 HZ1 LYS A 99 8.822 20.038 1.699 1.00 54.42 H new ATOM 0 HZ2 LYS A 99 7.691 18.863 1.225 1.00 54.42 H new ATOM 0 HZ3 LYS A 99 7.296 20.511 1.124 1.00 54.42 H new ATOM 1692 N LYS A 100 2.815 18.360 -1.764 1.00 72.40 N ATOM 1693 CA LYS A 100 2.632 18.087 -3.212 1.00 74.02 C ATOM 1694 C LYS A 100 3.950 17.650 -3.892 1.00 32.25 C ATOM 1695 O LYS A 100 4.099 17.749 -5.115 1.00 52.01 O ATOM 1696 CB LYS A 100 1.979 19.322 -3.912 1.00 12.23 C ATOM 1697 CG LYS A 100 0.528 19.626 -3.443 1.00 73.24 C ATOM 1698 CD LYS A 100 -0.047 20.952 -4.007 1.00 2.30 C ATOM 1699 CE LYS A 100 0.559 22.208 -3.367 1.00 72.53 C ATOM 1700 NZ LYS A 100 0.259 22.289 -1.912 1.00 62.05 N ATOM 0 H LYS A 100 2.288 17.719 -1.170 1.00 72.40 H new ATOM 0 HA LYS A 100 1.951 17.243 -3.319 1.00 74.02 H new ATOM 0 HB2 LYS A 100 2.599 20.199 -3.729 1.00 12.23 H new ATOM 0 HB3 LYS A 100 1.973 19.154 -4.989 1.00 12.23 H new ATOM 0 HG2 LYS A 100 -0.121 18.803 -3.743 1.00 73.24 H new ATOM 0 HG3 LYS A 100 0.509 19.667 -2.354 1.00 73.24 H new ATOM 0 HD2 LYS A 100 0.125 20.984 -5.083 1.00 2.30 H new ATOM 0 HD3 LYS A 100 -1.126 20.963 -3.856 1.00 2.30 H new ATOM 0 HE2 LYS A 100 1.639 22.206 -3.515 1.00 72.53 H new ATOM 0 HE3 LYS A 100 0.170 23.094 -3.868 1.00 72.53 H new ATOM 0 HZ1 LYS A 100 0.535 23.225 -1.552 1.00 62.05 H new ATOM 0 HZ2 LYS A 100 -0.760 22.146 -1.759 1.00 62.05 H new ATOM 0 HZ3 LYS A 100 0.791 21.553 -1.406 1.00 62.05 H new ATOM 1714 N GLY A 101 4.870 17.109 -3.076 1.00 1.42 N ATOM 1715 CA GLY A 101 6.193 16.693 -3.528 1.00 41.21 C ATOM 1716 C GLY A 101 6.798 15.693 -2.561 1.00 32.44 C ATOM 1717 O GLY A 101 6.353 14.546 -2.520 1.00 1.41 O ATOM 0 H GLY A 101 4.709 16.950 -2.081 1.00 1.42 H new ATOM 0 HA2 GLY A 101 6.121 16.249 -4.521 1.00 41.21 H new ATOM 0 HA3 GLY A 101 6.844 17.563 -3.614 1.00 41.21 H new ATOM 1721 N SER A 102 7.786 16.131 -1.758 1.00 4.04 N ATOM 1722 CA SER A 102 8.440 15.278 -0.740 1.00 63.33 C ATOM 1723 C SER A 102 8.929 16.099 0.463 1.00 14.35 C ATOM 1724 O SER A 102 8.883 17.338 0.448 1.00 32.35 O ATOM 1725 CB SER A 102 9.612 14.470 -1.366 1.00 60.44 C ATOM 1726 OG SER A 102 9.149 13.588 -2.373 1.00 43.13 O ATOM 0 H SER A 102 8.154 17.082 -1.794 1.00 4.04 H new ATOM 0 HA SER A 102 7.691 14.575 -0.375 1.00 63.33 H new ATOM 0 HB2 SER A 102 10.344 15.157 -1.790 1.00 60.44 H new ATOM 0 HB3 SER A 102 10.121 13.902 -0.588 1.00 60.44 H new ATOM 0 HG SER A 102 9.884 13.375 -2.985 1.00 43.13 H new ATOM 1732 N LEU A 103 9.349 15.386 1.525 1.00 4.14 N ATOM 1733 CA LEU A 103 9.914 15.987 2.746 1.00 10.54 C ATOM 1734 C LEU A 103 11.451 16.061 2.645 1.00 44.34 C ATOM 1735 O LEU A 103 12.022 17.156 2.666 1.00 40.41 O ATOM 1736 CB LEU A 103 9.469 15.186 4.018 1.00 14.00 C ATOM 1737 CG LEU A 103 8.020 15.463 4.560 1.00 25.22 C ATOM 1738 CD1 LEU A 103 6.929 15.129 3.526 1.00 31.42 C ATOM 1739 CD2 LEU A 103 7.769 14.720 5.894 1.00 65.53 C ATOM 0 H LEU A 103 9.305 14.368 1.559 1.00 4.14 H new ATOM 0 HA LEU A 103 9.530 17.002 2.842 1.00 10.54 H new ATOM 0 HB2 LEU A 103 9.550 14.122 3.795 1.00 14.00 H new ATOM 0 HB3 LEU A 103 10.177 15.399 4.818 1.00 14.00 H new ATOM 0 HG LEU A 103 7.957 16.535 4.749 1.00 25.22 H new ATOM 0 HD11 LEU A 103 5.948 15.339 3.952 1.00 31.42 H new ATOM 0 HD12 LEU A 103 7.075 15.738 2.634 1.00 31.42 H new ATOM 0 HD13 LEU A 103 6.991 14.074 3.260 1.00 31.42 H new ATOM 0 HD21 LEU A 103 6.758 14.931 6.244 1.00 65.53 H new ATOM 0 HD22 LEU A 103 7.883 13.647 5.740 1.00 65.53 H new ATOM 0 HD23 LEU A 103 8.489 15.058 6.640 1.00 65.53 H new ATOM 1751 N GLU A 104 12.129 14.896 2.523 1.00 54.41 N ATOM 1752 CA GLU A 104 13.612 14.837 2.608 1.00 72.20 C ATOM 1753 C GLU A 104 14.246 13.681 1.791 1.00 25.44 C ATOM 1754 O GLU A 104 15.329 13.858 1.212 1.00 61.33 O ATOM 1755 CB GLU A 104 14.067 14.802 4.114 1.00 1.11 C ATOM 1756 CG GLU A 104 13.114 14.095 5.121 1.00 11.53 C ATOM 1757 CD GLU A 104 12.832 12.610 4.834 1.00 52.50 C ATOM 1758 OE1 GLU A 104 13.606 11.744 5.300 1.00 43.11 O ATOM 1759 OE2 GLU A 104 11.824 12.300 4.144 1.00 63.32 O ATOM 0 H GLU A 104 11.682 13.993 2.367 1.00 54.41 H new ATOM 0 HA GLU A 104 13.987 15.748 2.141 1.00 72.20 H new ATOM 0 HB2 GLU A 104 15.038 14.310 4.164 1.00 1.11 H new ATOM 0 HB3 GLU A 104 14.212 15.829 4.448 1.00 1.11 H new ATOM 0 HG2 GLU A 104 13.542 14.179 6.120 1.00 11.53 H new ATOM 0 HG3 GLU A 104 12.165 14.631 5.134 1.00 11.53 H new ATOM 1766 N HIS A 105 13.580 12.514 1.730 1.00 71.42 N ATOM 1767 CA HIS A 105 14.199 11.278 1.193 1.00 0.34 C ATOM 1768 C HIS A 105 13.108 10.300 0.692 1.00 33.14 C ATOM 1769 O HIS A 105 12.092 10.113 1.367 1.00 34.42 O ATOM 1770 CB HIS A 105 15.068 10.625 2.316 1.00 15.53 C ATOM 1771 CG HIS A 105 16.186 9.732 1.840 1.00 34.30 C ATOM 1772 ND1 HIS A 105 17.492 10.159 1.745 1.00 51.54 N ATOM 1773 CD2 HIS A 105 16.201 8.433 1.477 1.00 5.35 C ATOM 1774 CE1 HIS A 105 18.253 9.163 1.352 1.00 1.24 C ATOM 1775 NE2 HIS A 105 17.498 8.102 1.185 1.00 51.50 N ATOM 0 H HIS A 105 12.617 12.396 2.043 1.00 71.42 H new ATOM 0 HA HIS A 105 14.835 11.521 0.342 1.00 0.34 H new ATOM 0 HB2 HIS A 105 15.497 11.420 2.927 1.00 15.53 H new ATOM 0 HB3 HIS A 105 14.413 10.043 2.965 1.00 15.53 H new ATOM 0 HD2 HIS A 105 15.347 7.774 1.426 1.00 5.35 H new ATOM 0 HE1 HIS A 105 19.320 9.209 1.193 1.00 1.24 H new ATOM 0 HE2 HIS A 105 17.824 7.182 0.887 1.00 51.50 H new ATOM 1784 N HIS A 106 13.332 9.666 -0.484 1.00 13.21 N ATOM 1785 CA HIS A 106 12.392 8.668 -1.085 1.00 50.33 C ATOM 1786 C HIS A 106 12.724 7.230 -0.607 1.00 41.42 C ATOM 1787 O HIS A 106 12.826 6.294 -1.416 1.00 53.31 O ATOM 1788 CB HIS A 106 12.428 8.748 -2.645 1.00 71.22 C ATOM 1789 CG HIS A 106 11.891 10.017 -3.248 1.00 51.24 C ATOM 1790 ND1 HIS A 106 12.107 10.361 -4.564 1.00 52.24 N ATOM 1791 CD2 HIS A 106 11.127 11.006 -2.730 1.00 2.43 C ATOM 1792 CE1 HIS A 106 11.501 11.498 -4.827 1.00 52.22 C ATOM 1793 NE2 HIS A 106 10.902 11.907 -3.736 1.00 51.14 N ATOM 0 H HIS A 106 14.166 9.826 -1.048 1.00 13.21 H new ATOM 0 HA HIS A 106 11.384 8.912 -0.749 1.00 50.33 H new ATOM 0 HB2 HIS A 106 13.460 8.621 -2.973 1.00 71.22 H new ATOM 0 HB3 HIS A 106 11.860 7.909 -3.046 1.00 71.22 H new ATOM 0 HD1 HIS A 106 12.653 9.817 -5.232 1.00 52.24 H new ATOM 0 HD2 HIS A 106 10.763 11.072 -1.715 1.00 2.43 H new ATOM 0 HE1 HIS A 106 11.498 12.007 -5.779 1.00 52.22 H new ATOM 1802 N HIS A 107 12.853 7.077 0.718 1.00 34.02 N ATOM 1803 CA HIS A 107 13.167 5.796 1.393 1.00 12.31 C ATOM 1804 C HIS A 107 13.000 6.002 2.915 1.00 31.31 C ATOM 1805 O HIS A 107 12.810 7.144 3.353 1.00 70.11 O ATOM 1806 CB HIS A 107 14.608 5.317 1.018 1.00 24.32 C ATOM 1807 CG HIS A 107 14.956 3.933 1.490 1.00 54.44 C ATOM 1808 ND1 HIS A 107 15.704 3.679 2.619 1.00 1.25 N ATOM 1809 CD2 HIS A 107 14.651 2.724 0.974 1.00 33.13 C ATOM 1810 CE1 HIS A 107 15.827 2.378 2.773 1.00 50.04 C ATOM 1811 NE2 HIS A 107 15.198 1.780 1.791 1.00 43.24 N ATOM 0 H HIS A 107 12.741 7.853 1.370 1.00 34.02 H new ATOM 0 HA HIS A 107 12.485 5.012 1.064 1.00 12.31 H new ATOM 0 HB2 HIS A 107 14.717 5.354 -0.066 1.00 24.32 H new ATOM 0 HB3 HIS A 107 15.329 6.020 1.435 1.00 24.32 H new ATOM 0 HD2 HIS A 107 14.078 2.538 0.077 1.00 33.13 H new ATOM 0 HE1 HIS A 107 16.357 1.885 3.574 1.00 50.04 H new ATOM 0 HE2 HIS A 107 15.129 0.771 1.659 1.00 43.24 H new ATOM 1820 N HIS A 108 13.035 4.916 3.724 1.00 24.00 N ATOM 1821 CA HIS A 108 12.815 4.995 5.192 1.00 72.13 C ATOM 1822 C HIS A 108 13.820 4.120 5.964 1.00 14.15 C ATOM 1823 O HIS A 108 14.282 3.099 5.453 1.00 33.14 O ATOM 1824 CB HIS A 108 11.363 4.561 5.531 1.00 12.52 C ATOM 1825 CG HIS A 108 10.323 5.446 4.912 1.00 22.21 C ATOM 1826 ND1 HIS A 108 9.674 5.142 3.733 1.00 22.43 N ATOM 1827 CD2 HIS A 108 9.855 6.652 5.293 1.00 40.30 C ATOM 1828 CE1 HIS A 108 8.863 6.130 3.419 1.00 65.43 C ATOM 1829 NE2 HIS A 108 8.955 7.055 4.350 1.00 32.34 N ATOM 0 H HIS A 108 13.214 3.971 3.385 1.00 24.00 H new ATOM 0 HA HIS A 108 12.969 6.029 5.500 1.00 72.13 H new ATOM 0 HB2 HIS A 108 11.208 3.537 5.192 1.00 12.52 H new ATOM 0 HB3 HIS A 108 11.234 4.561 6.613 1.00 12.52 H new ATOM 0 HD2 HIS A 108 10.140 7.198 6.180 1.00 40.30 H new ATOM 0 HE1 HIS A 108 8.230 6.174 2.545 1.00 65.43 H new ATOM 0 HE2 HIS A 108 8.436 7.933 4.365 1.00 32.34 H new ATOM 1838 N HIS A 109 14.169 4.570 7.186 1.00 21.02 N ATOM 1839 CA HIS A 109 14.921 3.787 8.200 1.00 65.14 C ATOM 1840 C HIS A 109 14.430 4.205 9.602 1.00 10.34 C ATOM 1841 O HIS A 109 14.077 5.372 9.815 1.00 30.24 O ATOM 1842 CB HIS A 109 16.466 4.005 8.122 1.00 42.05 C ATOM 1843 CG HIS A 109 17.167 3.397 6.929 1.00 30.24 C ATOM 1844 ND1 HIS A 109 17.676 2.115 6.930 1.00 11.04 N ATOM 1845 CD2 HIS A 109 17.457 3.902 5.709 1.00 5.21 C ATOM 1846 CE1 HIS A 109 18.245 1.867 5.770 1.00 42.10 C ATOM 1847 NE2 HIS A 109 18.132 2.936 5.008 1.00 34.33 N ATOM 0 H HIS A 109 13.933 5.509 7.507 1.00 21.02 H new ATOM 0 HA HIS A 109 14.736 2.731 8.002 1.00 65.14 H new ATOM 0 HB2 HIS A 109 16.661 5.077 8.124 1.00 42.05 H new ATOM 0 HB3 HIS A 109 16.915 3.598 9.028 1.00 42.05 H new ATOM 0 HD2 HIS A 109 17.203 4.889 5.351 1.00 5.21 H new ATOM 0 HE1 HIS A 109 18.725 0.941 5.489 1.00 42.10 H new ATOM 0 HE2 HIS A 109 18.487 3.029 4.056 1.00 34.33 H new ATOM 1856 N HIS A 110 14.410 3.247 10.543 1.00 32.15 N ATOM 1857 CA HIS A 110 14.076 3.492 11.970 1.00 54.10 C ATOM 1858 C HIS A 110 14.599 2.312 12.827 1.00 3.11 C ATOM 1859 O HIS A 110 14.646 1.164 12.309 1.00 54.40 O ATOM 1860 CB HIS A 110 12.546 3.695 12.208 1.00 53.22 C ATOM 1861 CG HIS A 110 11.709 2.469 11.952 1.00 12.10 C ATOM 1862 ND1 HIS A 110 11.417 1.542 12.928 1.00 62.11 N ATOM 1863 CD2 HIS A 110 11.148 2.000 10.821 1.00 3.12 C ATOM 1864 CE1 HIS A 110 10.713 0.564 12.406 1.00 41.12 C ATOM 1865 NE2 HIS A 110 10.532 0.816 11.131 1.00 65.21 N ATOM 1866 OXT HIS A 110 14.958 2.522 14.000 1.00 37.34 O ATOM 0 H HIS A 110 14.626 2.271 10.341 1.00 32.15 H new ATOM 0 HA HIS A 110 14.563 4.421 12.267 1.00 54.10 H new ATOM 0 HB2 HIS A 110 12.390 4.018 13.237 1.00 53.22 H new ATOM 0 HB3 HIS A 110 12.194 4.501 11.564 1.00 53.22 H new ATOM 0 HD2 HIS A 110 11.178 2.470 9.849 1.00 3.12 H new ATOM 0 HE1 HIS A 110 10.345 -0.302 12.937 1.00 41.12 H new ATOM 0 HE2 HIS A 110 10.017 0.227 10.477 1.00 65.21 H new TER 1875 HIS A 110