USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 THR OG1 : rot 71:sc= 0.227 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.397 K(o=-0.17,f=-1.8!) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0641 (180deg=-0.426) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.135 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= 0.151 (180deg=-0.755) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0331 USER MOD Single : A 11 SER OG : rot 48:sc= 0.0724 USER MOD Single : A 14 THR OG1 : rot -31:sc= 0.018 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00526 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -122:sc= 1.22 (180deg=0.0585) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.00329 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -0.011 (180deg=-0.155) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0.664 (180deg=0.66) USER MOD Single : A 47 GLN : amide:sc= -0.0475 X(o=-0.047,f=-0.045) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -0.151 (180deg=-0.391) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 79:sc= 0.907 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.589 F(o=-1.8,f=-0.59) USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= 0.503 (180deg=0.155) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -126:sc= 0.446 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0172) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00517) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= 0.0445 (180deg=0.0212) USER MOD Single : A 92 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.045) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= 0.553 (180deg=0.388) USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00764) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc=-0.00719 (180deg=-0.141) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.357 X(o=-0.36,f=0.07) USER MOD Single : A 106 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=-0.031) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 108 HIS : no HE2:sc= -0.143 K(o=-0.14,f=-1.3) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.507 16.841 -13.045 1.00 2.12 N ATOM 2 CA MET A 1 -1.736 15.666 -13.526 1.00 33.50 C ATOM 3 C MET A 1 -0.353 15.632 -12.859 1.00 61.13 C ATOM 4 O MET A 1 0.002 16.550 -12.106 1.00 25.15 O ATOM 5 CB MET A 1 -1.616 15.679 -15.077 1.00 44.34 C ATOM 6 CG MET A 1 -0.782 16.828 -15.663 1.00 23.24 C ATOM 7 SD MET A 1 -0.772 16.838 -17.470 1.00 24.43 S ATOM 8 CE MET A 1 -2.492 17.198 -17.853 1.00 65.52 C ATOM 0 H1 MET A 1 -3.299 16.518 -12.454 1.00 2.12 H new ATOM 0 H2 MET A 1 -1.885 17.458 -12.484 1.00 2.12 H new ATOM 0 H3 MET A 1 -2.877 17.371 -13.860 1.00 2.12 H new ATOM 0 HA MET A 1 -2.271 14.758 -13.247 1.00 33.50 H new ATOM 0 HB2 MET A 1 -1.178 14.734 -15.399 1.00 44.34 H new ATOM 0 HB3 MET A 1 -2.619 15.727 -15.502 1.00 44.34 H new ATOM 0 HG2 MET A 1 -1.176 17.778 -15.301 1.00 23.24 H new ATOM 0 HG3 MET A 1 0.242 16.749 -15.299 1.00 23.24 H new ATOM 0 HE1 MET A 1 -2.573 17.529 -18.889 1.00 65.52 H new ATOM 0 HE2 MET A 1 -3.092 16.299 -17.711 1.00 65.52 H new ATOM 0 HE3 MET A 1 -2.855 17.985 -17.192 1.00 65.52 H new ATOM 20 N GLY A 2 0.434 14.581 -13.162 1.00 1.35 N ATOM 21 CA GLY A 2 1.668 14.306 -12.422 1.00 21.12 C ATOM 22 C GLY A 2 1.356 13.683 -11.074 1.00 60.00 C ATOM 23 O GLY A 2 2.002 13.983 -10.063 1.00 71.12 O ATOM 0 H GLY A 2 0.234 13.917 -13.910 1.00 1.35 H new ATOM 0 HA2 GLY A 2 2.303 13.635 -13.000 1.00 21.12 H new ATOM 0 HA3 GLY A 2 2.227 15.231 -12.280 1.00 21.12 H new ATOM 27 N SER A 3 0.316 12.832 -11.079 1.00 73.03 N ATOM 28 CA SER A 3 -0.164 12.124 -9.895 1.00 30.24 C ATOM 29 C SER A 3 0.755 10.932 -9.597 1.00 71.31 C ATOM 30 O SER A 3 1.055 10.144 -10.500 1.00 14.23 O ATOM 31 CB SER A 3 -1.614 11.648 -10.144 1.00 14.42 C ATOM 32 OG SER A 3 -2.429 12.734 -10.559 1.00 64.41 O ATOM 0 H SER A 3 -0.218 12.618 -11.921 1.00 73.03 H new ATOM 0 HA SER A 3 -0.153 12.790 -9.032 1.00 30.24 H new ATOM 0 HB2 SER A 3 -1.621 10.868 -10.906 1.00 14.42 H new ATOM 0 HB3 SER A 3 -2.020 11.208 -9.233 1.00 14.42 H new ATOM 0 HG SER A 3 -3.343 12.416 -10.714 1.00 64.41 H new ATOM 38 N LYS A 4 1.199 10.818 -8.341 1.00 73.12 N ATOM 39 CA LYS A 4 2.062 9.716 -7.893 1.00 71.34 C ATOM 40 C LYS A 4 1.196 8.542 -7.439 1.00 44.10 C ATOM 41 O LYS A 4 -0.031 8.640 -7.402 1.00 13.10 O ATOM 42 CB LYS A 4 2.993 10.183 -6.750 1.00 20.10 C ATOM 43 CG LYS A 4 2.300 10.531 -5.411 1.00 15.11 C ATOM 44 CD LYS A 4 3.312 11.014 -4.342 1.00 21.13 C ATOM 45 CE LYS A 4 4.069 12.289 -4.758 1.00 65.22 C ATOM 46 NZ LYS A 4 5.041 12.731 -3.724 1.00 24.43 N ATOM 0 H LYS A 4 0.971 11.486 -7.605 1.00 73.12 H new ATOM 0 HA LYS A 4 2.689 9.394 -8.724 1.00 71.34 H new ATOM 0 HB2 LYS A 4 3.728 9.400 -6.563 1.00 20.10 H new ATOM 0 HB3 LYS A 4 3.542 11.061 -7.091 1.00 20.10 H new ATOM 0 HG2 LYS A 4 1.553 11.307 -5.580 1.00 15.11 H new ATOM 0 HG3 LYS A 4 1.770 9.654 -5.039 1.00 15.11 H new ATOM 0 HD2 LYS A 4 2.783 11.202 -3.408 1.00 21.13 H new ATOM 0 HD3 LYS A 4 4.032 10.219 -4.146 1.00 21.13 H new ATOM 0 HE2 LYS A 4 4.596 12.107 -5.694 1.00 65.22 H new ATOM 0 HE3 LYS A 4 3.353 13.089 -4.946 1.00 65.22 H new ATOM 0 HZ1 LYS A 4 5.839 13.216 -4.182 1.00 24.43 H new ATOM 0 HZ2 LYS A 4 4.573 13.384 -3.064 1.00 24.43 H new ATOM 0 HZ3 LYS A 4 5.393 11.903 -3.202 1.00 24.43 H new ATOM 60 N ILE A 5 1.834 7.423 -7.118 1.00 34.40 N ATOM 61 CA ILE A 5 1.169 6.294 -6.479 1.00 33.40 C ATOM 62 C ILE A 5 1.917 5.932 -5.200 1.00 71.22 C ATOM 63 O ILE A 5 3.143 6.066 -5.103 1.00 15.02 O ATOM 64 CB ILE A 5 1.047 5.052 -7.432 1.00 63.24 C ATOM 65 CG1 ILE A 5 2.450 4.528 -7.863 1.00 14.21 C ATOM 66 CG2 ILE A 5 0.168 5.397 -8.662 1.00 71.21 C ATOM 67 CD1 ILE A 5 2.418 3.316 -8.771 1.00 73.35 C ATOM 0 H ILE A 5 2.827 7.273 -7.293 1.00 34.40 H new ATOM 0 HA ILE A 5 0.149 6.592 -6.236 1.00 33.40 H new ATOM 0 HB ILE A 5 0.559 4.247 -6.882 1.00 63.24 H new ATOM 0 HG12 ILE A 5 2.984 5.332 -8.370 1.00 14.21 H new ATOM 0 HG13 ILE A 5 3.022 4.281 -6.968 1.00 14.21 H new ATOM 0 HG21 ILE A 5 0.094 4.525 -9.312 1.00 71.21 H new ATOM 0 HG22 ILE A 5 -0.828 5.686 -8.328 1.00 71.21 H new ATOM 0 HG23 ILE A 5 0.620 6.222 -9.212 1.00 71.21 H new ATOM 0 HD11 ILE A 5 3.437 3.021 -9.020 1.00 73.35 H new ATOM 0 HD12 ILE A 5 1.916 2.493 -8.262 1.00 73.35 H new ATOM 0 HD13 ILE A 5 1.878 3.561 -9.685 1.00 73.35 H new ATOM 79 N ILE A 6 1.156 5.505 -4.214 1.00 34.12 N ATOM 80 CA ILE A 6 1.659 5.129 -2.906 1.00 60.13 C ATOM 81 C ILE A 6 1.413 3.635 -2.735 1.00 71.12 C ATOM 82 O ILE A 6 0.369 3.137 -3.136 1.00 13.34 O ATOM 83 CB ILE A 6 0.928 5.943 -1.782 1.00 74.12 C ATOM 84 CG1 ILE A 6 1.169 7.486 -1.941 1.00 32.11 C ATOM 85 CG2 ILE A 6 1.323 5.454 -0.375 1.00 2.32 C ATOM 86 CD1 ILE A 6 2.603 7.960 -1.796 1.00 5.13 C ATOM 0 H ILE A 6 0.144 5.407 -4.301 1.00 34.12 H new ATOM 0 HA ILE A 6 2.723 5.350 -2.827 1.00 60.13 H new ATOM 0 HB ILE A 6 -0.141 5.764 -1.898 1.00 74.12 H new ATOM 0 HG12 ILE A 6 0.806 7.790 -2.923 1.00 32.11 H new ATOM 0 HG13 ILE A 6 0.560 8.006 -1.201 1.00 32.11 H new ATOM 0 HG21 ILE A 6 0.796 6.042 0.376 1.00 2.32 H new ATOM 0 HG22 ILE A 6 1.055 4.403 -0.266 1.00 2.32 H new ATOM 0 HG23 ILE A 6 2.398 5.570 -0.238 1.00 2.32 H new ATOM 0 HD11 ILE A 6 2.644 9.041 -1.926 1.00 5.13 H new ATOM 0 HD12 ILE A 6 2.974 7.699 -0.805 1.00 5.13 H new ATOM 0 HD13 ILE A 6 3.223 7.480 -2.553 1.00 5.13 H new ATOM 98 N VAL A 7 2.376 2.933 -2.144 1.00 72.02 N ATOM 99 CA VAL A 7 2.282 1.497 -1.880 1.00 61.24 C ATOM 100 C VAL A 7 2.432 1.275 -0.374 1.00 61.32 C ATOM 101 O VAL A 7 3.492 1.551 0.187 1.00 74.32 O ATOM 102 CB VAL A 7 3.347 0.657 -2.680 1.00 41.21 C ATOM 103 CG1 VAL A 7 3.177 -0.850 -2.391 1.00 31.52 C ATOM 104 CG2 VAL A 7 3.263 0.938 -4.204 1.00 41.53 C ATOM 0 H VAL A 7 3.254 3.348 -1.831 1.00 72.02 H new ATOM 0 HA VAL A 7 1.309 1.146 -2.224 1.00 61.24 H new ATOM 0 HB VAL A 7 4.337 0.965 -2.342 1.00 41.21 H new ATOM 0 HG11 VAL A 7 3.921 -1.414 -2.953 1.00 31.52 H new ATOM 0 HG12 VAL A 7 3.311 -1.033 -1.325 1.00 31.52 H new ATOM 0 HG13 VAL A 7 2.179 -1.168 -2.691 1.00 31.52 H new ATOM 0 HG21 VAL A 7 4.012 0.342 -4.726 1.00 41.53 H new ATOM 0 HG22 VAL A 7 2.270 0.674 -4.569 1.00 41.53 H new ATOM 0 HG23 VAL A 7 3.448 1.996 -4.390 1.00 41.53 H new ATOM 114 N ILE A 8 1.368 0.780 0.277 1.00 74.05 N ATOM 115 CA ILE A 8 1.325 0.619 1.738 1.00 52.12 C ATOM 116 C ILE A 8 1.437 -0.873 2.081 1.00 21.14 C ATOM 117 O ILE A 8 0.697 -1.704 1.546 1.00 1.25 O ATOM 118 CB ILE A 8 0.022 1.246 2.371 1.00 14.23 C ATOM 119 CG1 ILE A 8 -0.071 2.767 2.016 1.00 2.22 C ATOM 120 CG2 ILE A 8 -0.011 1.031 3.906 1.00 52.51 C ATOM 121 CD1 ILE A 8 -1.268 3.503 2.596 1.00 22.51 C ATOM 0 H ILE A 8 0.514 0.481 -0.194 1.00 74.05 H new ATOM 0 HA ILE A 8 2.167 1.161 2.168 1.00 52.12 H new ATOM 0 HB ILE A 8 -0.845 0.738 1.949 1.00 14.23 H new ATOM 0 HG12 ILE A 8 0.838 3.259 2.362 1.00 2.22 H new ATOM 0 HG13 ILE A 8 -0.095 2.868 0.931 1.00 2.22 H new ATOM 0 HG21 ILE A 8 -0.919 1.473 4.316 1.00 52.51 H new ATOM 0 HG22 ILE A 8 0.003 -0.037 4.124 1.00 52.51 H new ATOM 0 HG23 ILE A 8 0.860 1.506 4.359 1.00 52.51 H new ATOM 0 HD11 ILE A 8 -1.236 4.548 2.289 1.00 22.51 H new ATOM 0 HD12 ILE A 8 -2.188 3.046 2.231 1.00 22.51 H new ATOM 0 HD13 ILE A 8 -1.240 3.443 3.684 1.00 22.51 H new ATOM 133 N ILE A 9 2.358 -1.182 2.992 1.00 73.24 N ATOM 134 CA ILE A 9 2.665 -2.546 3.419 1.00 3.52 C ATOM 135 C ILE A 9 1.836 -2.797 4.690 1.00 1.50 C ATOM 136 O ILE A 9 2.222 -2.373 5.784 1.00 40.24 O ATOM 137 CB ILE A 9 4.216 -2.767 3.686 1.00 72.13 C ATOM 138 CG1 ILE A 9 5.080 -2.590 2.382 1.00 52.42 C ATOM 139 CG2 ILE A 9 4.473 -4.169 4.306 1.00 33.21 C ATOM 140 CD1 ILE A 9 5.222 -1.171 1.835 1.00 41.42 C ATOM 0 H ILE A 9 2.924 -0.476 3.464 1.00 73.24 H new ATOM 0 HA ILE A 9 2.410 -3.254 2.631 1.00 3.52 H new ATOM 0 HB ILE A 9 4.526 -1.997 4.393 1.00 72.13 H new ATOM 0 HG12 ILE A 9 6.079 -2.978 2.581 1.00 52.42 H new ATOM 0 HG13 ILE A 9 4.646 -3.213 1.600 1.00 52.42 H new ATOM 0 HG21 ILE A 9 5.541 -4.299 4.481 1.00 33.21 H new ATOM 0 HG22 ILE A 9 3.938 -4.252 5.252 1.00 33.21 H new ATOM 0 HG23 ILE A 9 4.121 -4.940 3.621 1.00 33.21 H new ATOM 0 HD11 ILE A 9 5.840 -1.187 0.937 1.00 41.42 H new ATOM 0 HD12 ILE A 9 4.236 -0.775 1.590 1.00 41.42 H new ATOM 0 HD13 ILE A 9 5.691 -0.537 2.587 1.00 41.42 H new ATOM 152 N SER A 10 0.654 -3.409 4.527 1.00 55.24 N ATOM 153 CA SER A 10 -0.326 -3.558 5.614 1.00 53.33 C ATOM 154 C SER A 10 -0.349 -5.003 6.139 1.00 11.25 C ATOM 155 O SER A 10 -0.267 -5.960 5.364 1.00 53.12 O ATOM 156 CB SER A 10 -1.724 -3.135 5.108 1.00 23.41 C ATOM 157 OG SER A 10 -1.710 -1.807 4.607 1.00 0.20 O ATOM 0 H SER A 10 0.351 -3.814 3.641 1.00 55.24 H new ATOM 0 HA SER A 10 -0.036 -2.912 6.443 1.00 53.33 H new ATOM 0 HB2 SER A 10 -2.052 -3.818 4.325 1.00 23.41 H new ATOM 0 HB3 SER A 10 -2.446 -3.212 5.921 1.00 23.41 H new ATOM 0 HG SER A 10 -2.606 -1.567 4.292 1.00 0.20 H new ATOM 163 N SER A 11 -0.385 -5.122 7.470 1.00 34.13 N ATOM 164 CA SER A 11 -0.602 -6.395 8.178 1.00 3.42 C ATOM 165 C SER A 11 -1.543 -6.187 9.390 1.00 52.41 C ATOM 166 O SER A 11 -1.091 -5.770 10.462 1.00 31.13 O ATOM 167 CB SER A 11 0.757 -7.014 8.604 1.00 71.35 C ATOM 168 OG SER A 11 1.597 -6.057 9.229 1.00 70.44 O ATOM 0 H SER A 11 -0.263 -4.328 8.098 1.00 34.13 H new ATOM 0 HA SER A 11 -1.088 -7.099 7.502 1.00 3.42 H new ATOM 0 HB2 SER A 11 0.580 -7.844 9.288 1.00 71.35 H new ATOM 0 HB3 SER A 11 1.261 -7.424 7.728 1.00 71.35 H new ATOM 0 HG SER A 11 1.086 -5.566 9.906 1.00 70.44 H new ATOM 174 N ASP A 12 -2.860 -6.420 9.164 1.00 63.43 N ATOM 175 CA ASP A 12 -3.938 -6.411 10.200 1.00 52.50 C ATOM 176 C ASP A 12 -4.381 -4.991 10.630 1.00 62.24 C ATOM 177 O ASP A 12 -5.587 -4.697 10.632 1.00 14.23 O ATOM 178 CB ASP A 12 -3.564 -7.269 11.449 1.00 22.44 C ATOM 179 CG ASP A 12 -4.727 -7.428 12.456 1.00 12.34 C ATOM 180 OD1 ASP A 12 -5.630 -8.260 12.203 1.00 42.25 O ATOM 181 OD2 ASP A 12 -4.763 -6.716 13.488 1.00 5.41 O ATOM 0 H ASP A 12 -3.218 -6.626 8.231 1.00 63.43 H new ATOM 0 HA ASP A 12 -4.796 -6.871 9.710 1.00 52.50 H new ATOM 0 HB2 ASP A 12 -3.242 -8.257 11.119 1.00 22.44 H new ATOM 0 HB3 ASP A 12 -2.715 -6.809 11.955 1.00 22.44 H new ATOM 186 N ASP A 13 -3.398 -4.140 10.991 1.00 52.04 N ATOM 187 CA ASP A 13 -3.628 -2.784 11.555 1.00 44.42 C ATOM 188 C ASP A 13 -4.555 -1.926 10.665 1.00 4.14 C ATOM 189 O ASP A 13 -4.203 -1.581 9.525 1.00 45.43 O ATOM 190 CB ASP A 13 -2.277 -2.057 11.769 1.00 51.11 C ATOM 191 CG ASP A 13 -1.337 -2.796 12.730 1.00 62.35 C ATOM 192 OD1 ASP A 13 -1.539 -2.693 13.962 1.00 60.00 O ATOM 193 OD2 ASP A 13 -0.401 -3.485 12.267 1.00 5.31 O ATOM 0 H ASP A 13 -2.409 -4.373 10.900 1.00 52.04 H new ATOM 0 HA ASP A 13 -4.129 -2.916 12.514 1.00 44.42 H new ATOM 0 HB2 ASP A 13 -1.780 -1.937 10.806 1.00 51.11 H new ATOM 0 HB3 ASP A 13 -2.468 -1.056 12.156 1.00 51.11 H new ATOM 198 N THR A 14 -5.733 -1.576 11.222 1.00 45.12 N ATOM 199 CA THR A 14 -6.820 -0.914 10.485 1.00 35.33 C ATOM 200 C THR A 14 -6.535 0.577 10.202 1.00 33.22 C ATOM 201 O THR A 14 -7.181 1.185 9.337 1.00 51.31 O ATOM 202 CB THR A 14 -8.190 -1.108 11.228 1.00 12.01 C ATOM 203 OG1 THR A 14 -9.284 -0.882 10.321 1.00 31.50 O ATOM 204 CG2 THR A 14 -8.347 -0.197 12.465 1.00 2.53 C ATOM 0 H THR A 14 -5.954 -1.748 12.203 1.00 45.12 H new ATOM 0 HA THR A 14 -6.883 -1.397 9.510 1.00 35.33 H new ATOM 0 HB THR A 14 -8.202 -2.138 11.586 1.00 12.01 H new ATOM 0 HG1 THR A 14 -9.022 -0.216 9.652 1.00 31.50 H new ATOM 0 HG21 THR A 14 -9.315 -0.381 12.932 1.00 2.53 H new ATOM 0 HG22 THR A 14 -7.553 -0.413 13.179 1.00 2.53 H new ATOM 0 HG23 THR A 14 -8.285 0.847 12.158 1.00 2.53 H new ATOM 212 N THR A 15 -5.569 1.156 10.947 1.00 32.10 N ATOM 213 CA THR A 15 -5.076 2.525 10.724 1.00 72.13 C ATOM 214 C THR A 15 -4.486 2.696 9.301 1.00 1.13 C ATOM 215 O THR A 15 -4.729 3.701 8.648 1.00 61.42 O ATOM 216 CB THR A 15 -4.007 2.896 11.810 1.00 51.45 C ATOM 217 OG1 THR A 15 -4.465 2.457 13.101 1.00 54.23 O ATOM 218 CG2 THR A 15 -3.745 4.414 11.867 1.00 31.33 C ATOM 0 H THR A 15 -5.109 0.681 11.724 1.00 32.10 H new ATOM 0 HA THR A 15 -5.924 3.205 10.810 1.00 72.13 H new ATOM 0 HB THR A 15 -3.076 2.399 11.538 1.00 51.45 H new ATOM 0 HG1 THR A 15 -3.797 2.687 13.780 1.00 54.23 H new ATOM 0 HG21 THR A 15 -2.998 4.626 12.632 1.00 31.33 H new ATOM 0 HG22 THR A 15 -3.380 4.757 10.899 1.00 31.33 H new ATOM 0 HG23 THR A 15 -4.671 4.934 12.110 1.00 31.33 H new ATOM 226 N LEU A 16 -3.772 1.664 8.807 1.00 71.41 N ATOM 227 CA LEU A 16 -3.122 1.711 7.473 1.00 4.43 C ATOM 228 C LEU A 16 -4.172 1.514 6.356 1.00 55.23 C ATOM 229 O LEU A 16 -3.970 1.968 5.227 1.00 2.14 O ATOM 230 CB LEU A 16 -1.967 0.668 7.337 1.00 1.32 C ATOM 231 CG LEU A 16 -0.700 0.908 8.239 1.00 12.53 C ATOM 232 CD1 LEU A 16 -0.979 0.584 9.716 1.00 11.34 C ATOM 233 CD2 LEU A 16 0.528 0.125 7.717 1.00 3.31 C ATOM 0 H LEU A 16 -3.629 0.787 9.308 1.00 71.41 H new ATOM 0 HA LEU A 16 -2.671 2.698 7.367 1.00 4.43 H new ATOM 0 HB2 LEU A 16 -2.369 -0.319 7.567 1.00 1.32 H new ATOM 0 HB3 LEU A 16 -1.646 0.647 6.295 1.00 1.32 H new ATOM 0 HG LEU A 16 -0.464 1.970 8.178 1.00 12.53 H new ATOM 0 HD11 LEU A 16 -0.079 0.763 10.304 1.00 11.34 H new ATOM 0 HD12 LEU A 16 -1.784 1.221 10.082 1.00 11.34 H new ATOM 0 HD13 LEU A 16 -1.272 -0.462 9.810 1.00 11.34 H new ATOM 0 HD21 LEU A 16 1.383 0.316 8.365 1.00 3.31 H new ATOM 0 HD22 LEU A 16 0.305 -0.942 7.715 1.00 3.31 H new ATOM 0 HD23 LEU A 16 0.762 0.449 6.703 1.00 3.31 H new ATOM 245 N GLU A 17 -5.302 0.858 6.711 1.00 42.12 N ATOM 246 CA GLU A 17 -6.433 0.603 5.793 1.00 30.20 C ATOM 247 C GLU A 17 -7.214 1.901 5.514 1.00 63.11 C ATOM 248 O GLU A 17 -7.513 2.223 4.356 1.00 65.32 O ATOM 249 CB GLU A 17 -7.387 -0.465 6.390 1.00 4.12 C ATOM 250 CG GLU A 17 -6.717 -1.810 6.730 1.00 64.53 C ATOM 251 CD GLU A 17 -7.733 -2.876 7.190 1.00 33.24 C ATOM 252 OE1 GLU A 17 -8.541 -3.337 6.354 1.00 44.24 O ATOM 253 OE2 GLU A 17 -7.754 -3.241 8.390 1.00 21.21 O ATOM 0 H GLU A 17 -5.454 0.489 7.650 1.00 42.12 H new ATOM 0 HA GLU A 17 -6.026 0.230 4.853 1.00 30.20 H new ATOM 0 HB2 GLU A 17 -7.841 -0.062 7.295 1.00 4.12 H new ATOM 0 HB3 GLU A 17 -8.196 -0.646 5.682 1.00 4.12 H new ATOM 0 HG2 GLU A 17 -6.181 -2.177 5.855 1.00 64.53 H new ATOM 0 HG3 GLU A 17 -5.977 -1.655 7.515 1.00 64.53 H new ATOM 260 N GLU A 18 -7.537 2.643 6.595 1.00 52.04 N ATOM 261 CA GLU A 18 -8.298 3.900 6.490 1.00 1.11 C ATOM 262 C GLU A 18 -7.437 5.016 5.868 1.00 44.34 C ATOM 263 O GLU A 18 -7.931 5.798 5.046 1.00 15.24 O ATOM 264 CB GLU A 18 -8.867 4.342 7.862 1.00 10.53 C ATOM 265 CG GLU A 18 -7.819 4.645 8.952 1.00 31.43 C ATOM 266 CD GLU A 18 -8.431 5.287 10.203 1.00 42.21 C ATOM 267 OE1 GLU A 18 -8.906 4.556 11.088 1.00 15.10 O ATOM 268 OE2 GLU A 18 -8.470 6.530 10.294 1.00 3.12 O ATOM 0 H GLU A 18 -7.281 2.390 7.549 1.00 52.04 H new ATOM 0 HA GLU A 18 -9.144 3.713 5.829 1.00 1.11 H new ATOM 0 HB2 GLU A 18 -9.477 5.233 7.712 1.00 10.53 H new ATOM 0 HB3 GLU A 18 -9.531 3.559 8.229 1.00 10.53 H new ATOM 0 HG2 GLU A 18 -7.316 3.720 9.233 1.00 31.43 H new ATOM 0 HG3 GLU A 18 -7.058 5.310 8.543 1.00 31.43 H new ATOM 275 N LEU A 19 -6.137 5.056 6.249 1.00 22.13 N ATOM 276 CA LEU A 19 -5.180 6.039 5.708 1.00 13.21 C ATOM 277 C LEU A 19 -4.969 5.819 4.199 1.00 73.33 C ATOM 278 O LEU A 19 -4.842 6.778 3.460 1.00 60.11 O ATOM 279 CB LEU A 19 -3.826 6.014 6.486 1.00 52.40 C ATOM 280 CG LEU A 19 -3.862 6.635 7.927 1.00 43.21 C ATOM 281 CD1 LEU A 19 -2.522 6.436 8.672 1.00 12.32 C ATOM 282 CD2 LEU A 19 -4.256 8.129 7.881 1.00 20.31 C ATOM 0 H LEU A 19 -5.731 4.415 6.931 1.00 22.13 H new ATOM 0 HA LEU A 19 -5.607 7.032 5.847 1.00 13.21 H new ATOM 0 HB2 LEU A 19 -3.491 4.980 6.564 1.00 52.40 H new ATOM 0 HB3 LEU A 19 -3.079 6.548 5.898 1.00 52.40 H new ATOM 0 HG LEU A 19 -4.628 6.101 8.489 1.00 43.21 H new ATOM 0 HD11 LEU A 19 -2.588 6.880 9.665 1.00 12.32 H new ATOM 0 HD12 LEU A 19 -2.312 5.370 8.764 1.00 12.32 H new ATOM 0 HD13 LEU A 19 -1.720 6.917 8.113 1.00 12.32 H new ATOM 0 HD21 LEU A 19 -4.273 8.532 8.894 1.00 20.31 H new ATOM 0 HD22 LEU A 19 -3.529 8.679 7.283 1.00 20.31 H new ATOM 0 HD23 LEU A 19 -5.245 8.231 7.434 1.00 20.31 H new ATOM 294 N ALA A 20 -4.997 4.545 3.756 1.00 1.32 N ATOM 295 CA ALA A 20 -4.917 4.176 2.323 1.00 43.25 C ATOM 296 C ALA A 20 -6.005 4.891 1.489 1.00 75.04 C ATOM 297 O ALA A 20 -5.747 5.352 0.369 1.00 25.12 O ATOM 298 CB ALA A 20 -5.030 2.650 2.167 1.00 20.15 C ATOM 0 H ALA A 20 -5.076 3.742 4.380 1.00 1.32 H new ATOM 0 HA ALA A 20 -3.949 4.503 1.943 1.00 43.25 H new ATOM 0 HB1 ALA A 20 -4.970 2.387 1.111 1.00 20.15 H new ATOM 0 HB2 ALA A 20 -4.216 2.168 2.708 1.00 20.15 H new ATOM 0 HB3 ALA A 20 -5.984 2.313 2.572 1.00 20.15 H new ATOM 304 N ARG A 21 -7.218 4.987 2.077 1.00 14.11 N ATOM 305 CA ARG A 21 -8.365 5.678 1.466 1.00 12.33 C ATOM 306 C ARG A 21 -8.149 7.210 1.460 1.00 24.12 C ATOM 307 O ARG A 21 -8.566 7.893 0.526 1.00 32.44 O ATOM 308 CB ARG A 21 -9.675 5.306 2.217 1.00 63.55 C ATOM 309 CG ARG A 21 -10.979 5.799 1.534 1.00 33.01 C ATOM 310 CD ARG A 21 -11.211 5.154 0.149 1.00 71.41 C ATOM 311 NE ARG A 21 -12.433 5.659 -0.505 1.00 1.52 N ATOM 312 CZ ARG A 21 -13.466 4.910 -0.922 1.00 14.34 C ATOM 313 NH1 ARG A 21 -13.465 3.584 -0.776 1.00 13.10 N ATOM 314 NH2 ARG A 21 -14.497 5.504 -1.502 1.00 21.11 N ATOM 0 H ARG A 21 -7.425 4.585 2.991 1.00 14.11 H new ATOM 0 HA ARG A 21 -8.454 5.352 0.430 1.00 12.33 H new ATOM 0 HB2 ARG A 21 -9.723 4.222 2.320 1.00 63.55 H new ATOM 0 HB3 ARG A 21 -9.630 5.720 3.224 1.00 63.55 H new ATOM 0 HG2 ARG A 21 -11.828 5.577 2.180 1.00 33.01 H new ATOM 0 HG3 ARG A 21 -10.938 6.883 1.423 1.00 33.01 H new ATOM 0 HD2 ARG A 21 -10.351 5.352 -0.490 1.00 71.41 H new ATOM 0 HD3 ARG A 21 -11.282 4.072 0.262 1.00 71.41 H new ATOM 0 HE ARG A 21 -12.499 6.666 -0.653 1.00 1.52 H new ATOM 0 HH11 ARG A 21 -12.668 3.120 -0.340 1.00 13.10 H new ATOM 0 HH12 ARG A 21 -14.261 3.035 -1.100 1.00 13.10 H new ATOM 0 HH21 ARG A 21 -14.499 6.516 -1.626 1.00 21.11 H new ATOM 0 HH22 ARG A 21 -15.290 4.949 -1.825 1.00 21.11 H new ATOM 328 N LYS A 22 -7.464 7.725 2.504 1.00 20.12 N ATOM 329 CA LYS A 22 -7.215 9.163 2.683 1.00 4.21 C ATOM 330 C LYS A 22 -6.156 9.679 1.683 1.00 13.10 C ATOM 331 O LYS A 22 -6.271 10.797 1.167 1.00 22.31 O ATOM 332 CB LYS A 22 -6.777 9.449 4.144 1.00 24.43 C ATOM 333 CG LYS A 22 -6.809 10.942 4.520 1.00 52.04 C ATOM 334 CD LYS A 22 -8.239 11.529 4.438 1.00 31.15 C ATOM 335 CE LYS A 22 -8.280 13.042 4.662 1.00 32.14 C ATOM 336 NZ LYS A 22 -7.789 13.434 6.009 1.00 0.54 N ATOM 0 H LYS A 22 -7.069 7.148 3.247 1.00 20.12 H new ATOM 0 HA LYS A 22 -8.143 9.698 2.482 1.00 4.21 H new ATOM 0 HB2 LYS A 22 -7.428 8.899 4.823 1.00 24.43 H new ATOM 0 HB3 LYS A 22 -5.767 9.068 4.292 1.00 24.43 H new ATOM 0 HG2 LYS A 22 -6.422 11.070 5.531 1.00 52.04 H new ATOM 0 HG3 LYS A 22 -6.150 11.498 3.853 1.00 52.04 H new ATOM 0 HD2 LYS A 22 -8.664 11.301 3.460 1.00 31.15 H new ATOM 0 HD3 LYS A 22 -8.869 11.040 5.181 1.00 31.15 H new ATOM 0 HE2 LYS A 22 -7.675 13.535 3.901 1.00 32.14 H new ATOM 0 HE3 LYS A 22 -9.303 13.397 4.535 1.00 32.14 H new ATOM 0 HZ1 LYS A 22 -7.838 14.468 6.109 1.00 0.54 H new ATOM 0 HZ2 LYS A 22 -8.381 12.987 6.738 1.00 0.54 H new ATOM 0 HZ3 LYS A 22 -6.804 13.121 6.124 1.00 0.54 H new ATOM 350 N ILE A 23 -5.126 8.855 1.422 1.00 24.34 N ATOM 351 CA ILE A 23 -4.092 9.168 0.427 1.00 1.43 C ATOM 352 C ILE A 23 -4.689 9.145 -1.004 1.00 71.24 C ATOM 353 O ILE A 23 -4.372 10.015 -1.821 1.00 71.41 O ATOM 354 CB ILE A 23 -2.830 8.207 0.542 1.00 24.01 C ATOM 355 CG1 ILE A 23 -1.864 8.618 1.712 1.00 15.33 C ATOM 356 CG2 ILE A 23 -2.031 8.156 -0.774 1.00 45.54 C ATOM 357 CD1 ILE A 23 -2.323 8.302 3.116 1.00 52.50 C ATOM 0 H ILE A 23 -4.990 7.960 1.892 1.00 24.34 H new ATOM 0 HA ILE A 23 -3.734 10.176 0.637 1.00 1.43 H new ATOM 0 HB ILE A 23 -3.234 7.218 0.759 1.00 24.01 H new ATOM 0 HG12 ILE A 23 -0.905 8.126 1.549 1.00 15.33 H new ATOM 0 HG13 ILE A 23 -1.687 9.692 1.646 1.00 15.33 H new ATOM 0 HG21 ILE A 23 -1.177 7.489 -0.655 1.00 45.54 H new ATOM 0 HG22 ILE A 23 -2.672 7.786 -1.575 1.00 45.54 H new ATOM 0 HG23 ILE A 23 -1.678 9.156 -1.025 1.00 45.54 H new ATOM 0 HD11 ILE A 23 -1.569 8.635 3.829 1.00 52.50 H new ATOM 0 HD12 ILE A 23 -3.263 8.816 3.316 1.00 52.50 H new ATOM 0 HD13 ILE A 23 -2.469 7.227 3.218 1.00 52.50 H new ATOM 369 N LYS A 24 -5.565 8.158 -1.317 1.00 1.24 N ATOM 370 CA LYS A 24 -6.206 8.113 -2.652 1.00 4.12 C ATOM 371 C LYS A 24 -7.290 9.191 -2.812 1.00 5.52 C ATOM 372 O LYS A 24 -7.661 9.534 -3.939 1.00 63.40 O ATOM 373 CB LYS A 24 -6.752 6.720 -3.030 1.00 42.21 C ATOM 374 CG LYS A 24 -7.961 6.192 -2.224 1.00 50.55 C ATOM 375 CD LYS A 24 -8.827 5.205 -3.051 1.00 24.24 C ATOM 376 CE LYS A 24 -8.012 4.052 -3.675 1.00 22.54 C ATOM 377 NZ LYS A 24 -8.792 3.317 -4.704 1.00 53.33 N ATOM 0 H LYS A 24 -5.837 7.405 -0.685 1.00 1.24 H new ATOM 0 HA LYS A 24 -5.405 8.332 -3.358 1.00 4.12 H new ATOM 0 HB2 LYS A 24 -7.032 6.741 -4.083 1.00 42.21 H new ATOM 0 HB3 LYS A 24 -5.939 6.000 -2.930 1.00 42.21 H new ATOM 0 HG2 LYS A 24 -7.605 5.694 -1.322 1.00 50.55 H new ATOM 0 HG3 LYS A 24 -8.577 7.032 -1.902 1.00 50.55 H new ATOM 0 HD2 LYS A 24 -9.602 4.787 -2.409 1.00 24.24 H new ATOM 0 HD3 LYS A 24 -9.333 5.754 -3.845 1.00 24.24 H new ATOM 0 HE2 LYS A 24 -7.103 4.452 -4.125 1.00 22.54 H new ATOM 0 HE3 LYS A 24 -7.702 3.361 -2.891 1.00 22.54 H new ATOM 0 HZ1 LYS A 24 -8.854 2.313 -4.441 1.00 53.33 H new ATOM 0 HZ2 LYS A 24 -9.750 3.718 -4.766 1.00 53.33 H new ATOM 0 HZ3 LYS A 24 -8.320 3.405 -5.626 1.00 53.33 H new ATOM 391 N ASP A 25 -7.787 9.706 -1.668 1.00 11.12 N ATOM 392 CA ASP A 25 -8.746 10.835 -1.614 1.00 32.14 C ATOM 393 C ASP A 25 -8.113 12.136 -2.170 1.00 14.31 C ATOM 394 O ASP A 25 -8.824 13.060 -2.576 1.00 63.11 O ATOM 395 CB ASP A 25 -9.243 11.028 -0.156 1.00 70.13 C ATOM 396 CG ASP A 25 -10.308 12.132 0.004 1.00 74.01 C ATOM 397 OD1 ASP A 25 -11.500 11.857 -0.241 1.00 14.22 O ATOM 398 OD2 ASP A 25 -9.957 13.268 0.388 1.00 61.42 O ATOM 0 H ASP A 25 -7.533 9.349 -0.747 1.00 11.12 H new ATOM 0 HA ASP A 25 -9.602 10.600 -2.247 1.00 32.14 H new ATOM 0 HB2 ASP A 25 -9.655 10.085 0.204 1.00 70.13 H new ATOM 0 HB3 ASP A 25 -8.390 11.266 0.479 1.00 70.13 H new ATOM 403 N GLU A 26 -6.761 12.181 -2.206 1.00 31.11 N ATOM 404 CA GLU A 26 -5.997 13.289 -2.817 1.00 3.34 C ATOM 405 C GLU A 26 -6.157 13.298 -4.354 1.00 73.31 C ATOM 406 O GLU A 26 -5.830 14.287 -5.011 1.00 62.44 O ATOM 407 CB GLU A 26 -4.503 13.153 -2.439 1.00 43.23 C ATOM 408 CG GLU A 26 -4.217 13.147 -0.924 1.00 23.43 C ATOM 409 CD GLU A 26 -4.525 14.481 -0.239 1.00 14.45 C ATOM 410 OE1 GLU A 26 -3.681 15.406 -0.322 1.00 44.24 O ATOM 411 OE2 GLU A 26 -5.601 14.623 0.377 1.00 33.44 O ATOM 0 H GLU A 26 -6.171 11.449 -1.811 1.00 31.11 H new ATOM 0 HA GLU A 26 -6.388 14.232 -2.435 1.00 3.34 H new ATOM 0 HB2 GLU A 26 -4.116 12.230 -2.871 1.00 43.23 H new ATOM 0 HB3 GLU A 26 -3.951 13.975 -2.895 1.00 43.23 H new ATOM 0 HG2 GLU A 26 -4.808 12.361 -0.454 1.00 23.43 H new ATOM 0 HG3 GLU A 26 -3.168 12.898 -0.761 1.00 23.43 H new ATOM 418 N GLY A 27 -6.649 12.180 -4.915 1.00 73.45 N ATOM 419 CA GLY A 27 -6.909 12.068 -6.355 1.00 22.22 C ATOM 420 C GLY A 27 -5.851 11.267 -7.089 1.00 54.41 C ATOM 421 O GLY A 27 -5.708 11.387 -8.311 1.00 61.15 O ATOM 0 H GLY A 27 -6.875 11.338 -4.386 1.00 73.45 H new ATOM 0 HA2 GLY A 27 -7.882 11.600 -6.507 1.00 22.22 H new ATOM 0 HA3 GLY A 27 -6.965 13.067 -6.787 1.00 22.22 H new ATOM 425 N LEU A 28 -5.103 10.436 -6.347 1.00 3.43 N ATOM 426 CA LEU A 28 -4.072 9.547 -6.914 1.00 32.10 C ATOM 427 C LEU A 28 -4.331 8.102 -6.477 1.00 52.34 C ATOM 428 O LEU A 28 -5.187 7.863 -5.629 1.00 44.22 O ATOM 429 CB LEU A 28 -2.668 10.048 -6.506 1.00 53.14 C ATOM 430 CG LEU A 28 -2.370 10.208 -4.968 1.00 0.32 C ATOM 431 CD1 LEU A 28 -1.816 8.906 -4.335 1.00 63.12 C ATOM 432 CD2 LEU A 28 -1.424 11.396 -4.720 1.00 25.13 C ATOM 0 H LEU A 28 -5.195 10.360 -5.334 1.00 3.43 H new ATOM 0 HA LEU A 28 -4.119 9.566 -8.003 1.00 32.10 H new ATOM 0 HB2 LEU A 28 -1.932 9.360 -6.921 1.00 53.14 H new ATOM 0 HB3 LEU A 28 -2.505 11.015 -6.982 1.00 53.14 H new ATOM 0 HG LEU A 28 -3.320 10.414 -4.474 1.00 0.32 H new ATOM 0 HD11 LEU A 28 -1.627 9.069 -3.274 1.00 63.12 H new ATOM 0 HD12 LEU A 28 -2.545 8.104 -4.455 1.00 63.12 H new ATOM 0 HD13 LEU A 28 -0.886 8.628 -4.831 1.00 63.12 H new ATOM 0 HD21 LEU A 28 -1.230 11.490 -3.651 1.00 25.13 H new ATOM 0 HD22 LEU A 28 -0.484 11.229 -5.246 1.00 25.13 H new ATOM 0 HD23 LEU A 28 -1.887 12.312 -5.087 1.00 25.13 H new ATOM 444 N GLU A 29 -3.612 7.137 -7.063 1.00 32.32 N ATOM 445 CA GLU A 29 -3.877 5.708 -6.822 1.00 4.20 C ATOM 446 C GLU A 29 -2.986 5.132 -5.697 1.00 25.11 C ATOM 447 O GLU A 29 -1.852 5.570 -5.513 1.00 40.45 O ATOM 448 CB GLU A 29 -3.690 4.925 -8.141 1.00 14.24 C ATOM 449 CG GLU A 29 -4.177 3.467 -8.096 1.00 15.54 C ATOM 450 CD GLU A 29 -5.691 3.331 -7.791 1.00 71.33 C ATOM 451 OE1 GLU A 29 -6.086 3.366 -6.594 1.00 72.14 O ATOM 452 OE2 GLU A 29 -6.491 3.169 -8.735 1.00 75.03 O ATOM 0 H GLU A 29 -2.842 7.317 -7.707 1.00 32.32 H new ATOM 0 HA GLU A 29 -4.907 5.601 -6.482 1.00 4.20 H new ATOM 0 HB2 GLU A 29 -4.222 5.447 -8.936 1.00 14.24 H new ATOM 0 HB3 GLU A 29 -2.633 4.933 -8.406 1.00 14.24 H new ATOM 0 HG2 GLU A 29 -3.963 2.991 -9.053 1.00 15.54 H new ATOM 0 HG3 GLU A 29 -3.611 2.926 -7.337 1.00 15.54 H new ATOM 459 N VAL A 30 -3.531 4.141 -4.947 1.00 43.32 N ATOM 460 CA VAL A 30 -2.810 3.434 -3.861 1.00 73.40 C ATOM 461 C VAL A 30 -2.852 1.911 -4.107 1.00 24.22 C ATOM 462 O VAL A 30 -3.910 1.345 -4.405 1.00 3.42 O ATOM 463 CB VAL A 30 -3.408 3.748 -2.433 1.00 12.15 C ATOM 464 CG1 VAL A 30 -2.569 3.094 -1.308 1.00 60.51 C ATOM 465 CG2 VAL A 30 -3.517 5.262 -2.200 1.00 63.33 C ATOM 0 H VAL A 30 -4.486 3.810 -5.080 1.00 43.32 H new ATOM 0 HA VAL A 30 -1.781 3.793 -3.875 1.00 73.40 H new ATOM 0 HB VAL A 30 -4.409 3.318 -2.403 1.00 12.15 H new ATOM 0 HG11 VAL A 30 -3.010 3.332 -0.340 1.00 60.51 H new ATOM 0 HG12 VAL A 30 -2.556 2.013 -1.445 1.00 60.51 H new ATOM 0 HG13 VAL A 30 -1.549 3.477 -1.345 1.00 60.51 H new ATOM 0 HG21 VAL A 30 -3.932 5.449 -1.209 1.00 63.33 H new ATOM 0 HG22 VAL A 30 -2.527 5.713 -2.270 1.00 63.33 H new ATOM 0 HG23 VAL A 30 -4.170 5.700 -2.955 1.00 63.33 H new ATOM 475 N TYR A 31 -1.687 1.275 -3.963 1.00 70.44 N ATOM 476 CA TYR A 31 -1.496 -0.173 -4.082 1.00 4.42 C ATOM 477 C TYR A 31 -1.152 -0.700 -2.693 1.00 45.42 C ATOM 478 O TYR A 31 -0.344 -0.098 -1.999 1.00 3.32 O ATOM 479 CB TYR A 31 -0.350 -0.484 -5.078 1.00 75.30 C ATOM 480 CG TYR A 31 -0.641 -0.039 -6.520 1.00 11.25 C ATOM 481 CD1 TYR A 31 -0.473 1.292 -6.922 1.00 15.31 C ATOM 482 CD2 TYR A 31 -1.088 -0.952 -7.478 1.00 44.31 C ATOM 483 CE1 TYR A 31 -0.753 1.692 -8.213 1.00 52.40 C ATOM 484 CE2 TYR A 31 -1.367 -0.551 -8.773 1.00 5.51 C ATOM 485 CZ TYR A 31 -1.190 0.768 -9.137 1.00 13.33 C ATOM 486 OH TYR A 31 -1.469 1.170 -10.429 1.00 61.51 O ATOM 0 H TYR A 31 -0.821 1.771 -3.753 1.00 70.44 H new ATOM 0 HA TYR A 31 -2.399 -0.651 -4.460 1.00 4.42 H new ATOM 0 HB2 TYR A 31 0.561 0.006 -4.734 1.00 75.30 H new ATOM 0 HB3 TYR A 31 -0.157 -1.557 -5.071 1.00 75.30 H new ATOM 0 HD1 TYR A 31 -0.117 2.020 -6.208 1.00 15.31 H new ATOM 0 HD2 TYR A 31 -1.218 -1.988 -7.204 1.00 44.31 H new ATOM 0 HE1 TYR A 31 -0.630 2.726 -8.498 1.00 52.40 H new ATOM 0 HE2 TYR A 31 -1.723 -1.269 -9.497 1.00 5.51 H new ATOM 0 HH TYR A 31 -1.765 0.398 -10.955 1.00 61.51 H new ATOM 496 N ILE A 32 -1.776 -1.792 -2.264 1.00 74.21 N ATOM 497 CA ILE A 32 -1.561 -2.338 -0.912 1.00 42.10 C ATOM 498 C ILE A 32 -0.881 -3.710 -1.026 1.00 22.13 C ATOM 499 O ILE A 32 -1.386 -4.596 -1.718 1.00 2.11 O ATOM 500 CB ILE A 32 -2.919 -2.464 -0.119 1.00 71.23 C ATOM 501 CG1 ILE A 32 -3.750 -1.142 -0.175 1.00 65.42 C ATOM 502 CG2 ILE A 32 -2.665 -2.864 1.352 1.00 74.45 C ATOM 503 CD1 ILE A 32 -3.105 0.038 0.524 1.00 15.01 C ATOM 0 H ILE A 32 -2.438 -2.324 -2.829 1.00 74.21 H new ATOM 0 HA ILE A 32 -0.920 -1.653 -0.357 1.00 42.10 H new ATOM 0 HB ILE A 32 -3.499 -3.248 -0.605 1.00 71.23 H new ATOM 0 HG12 ILE A 32 -3.921 -0.880 -1.219 1.00 65.42 H new ATOM 0 HG13 ILE A 32 -4.727 -1.323 0.273 1.00 65.42 H new ATOM 0 HG21 ILE A 32 -3.617 -2.944 1.877 1.00 74.45 H new ATOM 0 HG22 ILE A 32 -2.151 -3.825 1.384 1.00 74.45 H new ATOM 0 HG23 ILE A 32 -2.048 -2.106 1.834 1.00 74.45 H new ATOM 0 HD11 ILE A 32 -3.751 0.911 0.435 1.00 15.01 H new ATOM 0 HD12 ILE A 32 -2.959 -0.199 1.578 1.00 15.01 H new ATOM 0 HD13 ILE A 32 -2.141 0.251 0.063 1.00 15.01 H new ATOM 515 N LEU A 33 0.280 -3.878 -0.373 1.00 61.20 N ATOM 516 CA LEU A 33 0.999 -5.161 -0.330 1.00 53.03 C ATOM 517 C LEU A 33 0.803 -5.794 1.045 1.00 3.23 C ATOM 518 O LEU A 33 1.261 -5.266 2.062 1.00 10.32 O ATOM 519 CB LEU A 33 2.503 -4.981 -0.668 1.00 31.14 C ATOM 520 CG LEU A 33 2.800 -4.448 -2.104 1.00 20.55 C ATOM 521 CD1 LEU A 33 4.304 -4.475 -2.418 1.00 34.33 C ATOM 522 CD2 LEU A 33 1.990 -5.210 -3.177 1.00 24.12 C ATOM 0 H LEU A 33 0.746 -3.129 0.139 1.00 61.20 H new ATOM 0 HA LEU A 33 0.590 -5.827 -1.090 1.00 53.03 H new ATOM 0 HB2 LEU A 33 2.942 -4.294 0.056 1.00 31.14 H new ATOM 0 HB3 LEU A 33 3.005 -5.940 -0.542 1.00 31.14 H new ATOM 0 HG LEU A 33 2.477 -3.407 -2.130 1.00 20.55 H new ATOM 0 HD11 LEU A 33 4.472 -4.097 -3.426 1.00 34.33 H new ATOM 0 HD12 LEU A 33 4.836 -3.849 -1.702 1.00 34.33 H new ATOM 0 HD13 LEU A 33 4.672 -5.499 -2.349 1.00 34.33 H new ATOM 0 HD21 LEU A 33 2.225 -4.809 -4.163 1.00 24.12 H new ATOM 0 HD22 LEU A 33 2.249 -6.268 -3.145 1.00 24.12 H new ATOM 0 HD23 LEU A 33 0.924 -5.091 -2.981 1.00 24.12 H new ATOM 534 N LEU A 34 0.082 -6.911 1.053 1.00 11.24 N ATOM 535 CA LEU A 34 -0.305 -7.630 2.265 1.00 14.33 C ATOM 536 C LEU A 34 0.671 -8.794 2.512 1.00 33.35 C ATOM 537 O LEU A 34 0.905 -9.618 1.616 1.00 23.11 O ATOM 538 CB LEU A 34 -1.792 -8.129 2.127 1.00 1.21 C ATOM 539 CG LEU A 34 -2.844 -7.462 3.079 1.00 40.14 C ATOM 540 CD1 LEU A 34 -2.640 -7.871 4.556 1.00 64.54 C ATOM 541 CD2 LEU A 34 -2.817 -5.938 2.934 1.00 41.53 C ATOM 0 H LEU A 34 -0.258 -7.352 0.198 1.00 11.24 H new ATOM 0 HA LEU A 34 -0.253 -6.967 3.128 1.00 14.33 H new ATOM 0 HB2 LEU A 34 -2.112 -7.967 1.098 1.00 1.21 H new ATOM 0 HB3 LEU A 34 -1.808 -9.205 2.301 1.00 1.21 H new ATOM 0 HG LEU A 34 -3.825 -7.827 2.776 1.00 40.14 H new ATOM 0 HD11 LEU A 34 -3.393 -7.384 5.176 1.00 64.54 H new ATOM 0 HD12 LEU A 34 -2.737 -8.953 4.651 1.00 64.54 H new ATOM 0 HD13 LEU A 34 -1.646 -7.566 4.884 1.00 64.54 H new ATOM 0 HD21 LEU A 34 -3.555 -5.496 3.604 1.00 41.53 H new ATOM 0 HD22 LEU A 34 -1.825 -5.566 3.190 1.00 41.53 H new ATOM 0 HD23 LEU A 34 -3.052 -5.666 1.905 1.00 41.53 H new ATOM 553 N LYS A 35 1.223 -8.861 3.738 1.00 64.22 N ATOM 554 CA LYS A 35 2.061 -9.982 4.193 1.00 4.12 C ATOM 555 C LYS A 35 1.716 -10.304 5.665 1.00 44.42 C ATOM 556 O LYS A 35 1.783 -9.440 6.547 1.00 54.54 O ATOM 557 CB LYS A 35 3.574 -9.663 3.999 1.00 21.51 C ATOM 558 CG LYS A 35 4.083 -8.410 4.750 1.00 35.43 C ATOM 559 CD LYS A 35 5.554 -8.063 4.444 1.00 2.34 C ATOM 560 CE LYS A 35 6.529 -9.231 4.681 1.00 25.44 C ATOM 561 NZ LYS A 35 6.481 -9.754 6.069 1.00 12.34 N ATOM 0 H LYS A 35 1.098 -8.134 4.443 1.00 64.22 H new ATOM 0 HA LYS A 35 1.853 -10.865 3.589 1.00 4.12 H new ATOM 0 HB2 LYS A 35 4.156 -10.525 4.326 1.00 21.51 H new ATOM 0 HB3 LYS A 35 3.768 -9.533 2.934 1.00 21.51 H new ATOM 0 HG2 LYS A 35 3.455 -7.559 4.487 1.00 35.43 H new ATOM 0 HG3 LYS A 35 3.971 -8.569 5.823 1.00 35.43 H new ATOM 0 HD2 LYS A 35 5.633 -7.740 3.406 1.00 2.34 H new ATOM 0 HD3 LYS A 35 5.855 -7.219 5.064 1.00 2.34 H new ATOM 0 HE2 LYS A 35 6.296 -10.038 3.986 1.00 25.44 H new ATOM 0 HE3 LYS A 35 7.544 -8.901 4.458 1.00 25.44 H new ATOM 0 HZ1 LYS A 35 7.158 -10.538 6.168 1.00 12.34 H new ATOM 0 HZ2 LYS A 35 6.730 -8.995 6.735 1.00 12.34 H new ATOM 0 HZ3 LYS A 35 5.522 -10.097 6.278 1.00 12.34 H new ATOM 575 N ASP A 36 1.280 -11.542 5.907 1.00 1.52 N ATOM 576 CA ASP A 36 0.904 -12.039 7.248 1.00 62.52 C ATOM 577 C ASP A 36 1.566 -13.411 7.460 1.00 63.15 C ATOM 578 O ASP A 36 2.163 -13.964 6.522 1.00 60.34 O ATOM 579 CB ASP A 36 -0.650 -12.121 7.355 1.00 72.54 C ATOM 580 CG ASP A 36 -1.198 -12.238 8.790 1.00 42.12 C ATOM 581 OD1 ASP A 36 -1.262 -13.363 9.330 1.00 2.32 O ATOM 582 OD2 ASP A 36 -1.564 -11.198 9.389 1.00 43.30 O ATOM 0 H ASP A 36 1.174 -12.242 5.173 1.00 1.52 H new ATOM 0 HA ASP A 36 1.251 -11.361 8.028 1.00 62.52 H new ATOM 0 HB2 ASP A 36 -1.079 -11.233 6.890 1.00 72.54 H new ATOM 0 HB3 ASP A 36 -0.994 -12.980 6.779 1.00 72.54 H new ATOM 587 N LYS A 37 1.485 -13.939 8.690 1.00 43.33 N ATOM 588 CA LYS A 37 2.007 -15.277 9.033 1.00 21.52 C ATOM 589 C LYS A 37 1.100 -16.401 8.467 1.00 41.10 C ATOM 590 O LYS A 37 1.584 -17.479 8.095 1.00 53.13 O ATOM 591 CB LYS A 37 2.169 -15.401 10.582 1.00 44.03 C ATOM 592 CG LYS A 37 2.749 -16.751 11.081 1.00 13.04 C ATOM 593 CD LYS A 37 4.130 -17.106 10.469 1.00 52.21 C ATOM 594 CE LYS A 37 4.619 -18.496 10.898 1.00 51.14 C ATOM 595 NZ LYS A 37 5.873 -18.880 10.197 1.00 41.32 N ATOM 0 H LYS A 37 1.056 -13.453 9.478 1.00 43.33 H new ATOM 0 HA LYS A 37 2.987 -15.397 8.570 1.00 21.52 H new ATOM 0 HB2 LYS A 37 2.816 -14.596 10.929 1.00 44.03 H new ATOM 0 HB3 LYS A 37 1.195 -15.249 11.046 1.00 44.03 H new ATOM 0 HG2 LYS A 37 2.842 -16.716 12.167 1.00 13.04 H new ATOM 0 HG3 LYS A 37 2.043 -17.548 10.846 1.00 13.04 H new ATOM 0 HD2 LYS A 37 4.064 -17.067 9.382 1.00 52.21 H new ATOM 0 HD3 LYS A 37 4.862 -16.357 10.771 1.00 52.21 H new ATOM 0 HE2 LYS A 37 4.787 -18.506 11.975 1.00 51.14 H new ATOM 0 HE3 LYS A 37 3.845 -19.234 10.689 1.00 51.14 H new ATOM 0 HZ1 LYS A 37 6.172 -19.825 10.513 1.00 41.32 H new ATOM 0 HZ2 LYS A 37 5.706 -18.895 9.171 1.00 41.32 H new ATOM 0 HZ3 LYS A 37 6.619 -18.189 10.417 1.00 41.32 H new ATOM 609 N ASP A 38 -0.208 -16.122 8.366 1.00 61.52 N ATOM 610 CA ASP A 38 -1.218 -17.094 7.906 1.00 72.22 C ATOM 611 C ASP A 38 -1.880 -16.549 6.626 1.00 21.13 C ATOM 612 O ASP A 38 -2.667 -15.597 6.691 1.00 41.52 O ATOM 613 CB ASP A 38 -2.280 -17.346 9.008 1.00 10.44 C ATOM 614 CG ASP A 38 -3.244 -18.490 8.643 1.00 2.11 C ATOM 615 OD1 ASP A 38 -4.208 -18.268 7.879 1.00 5.20 O ATOM 616 OD2 ASP A 38 -3.016 -19.635 9.084 1.00 34.33 O ATOM 0 H ASP A 38 -0.600 -15.210 8.602 1.00 61.52 H new ATOM 0 HA ASP A 38 -0.736 -18.048 7.691 1.00 72.22 H new ATOM 0 HB2 ASP A 38 -1.777 -17.583 9.946 1.00 10.44 H new ATOM 0 HB3 ASP A 38 -2.851 -16.432 9.174 1.00 10.44 H new ATOM 621 N GLU A 39 -1.524 -17.155 5.476 1.00 33.11 N ATOM 622 CA GLU A 39 -1.975 -16.732 4.132 1.00 13.43 C ATOM 623 C GLU A 39 -3.507 -16.717 3.930 1.00 54.01 C ATOM 624 O GLU A 39 -3.982 -16.055 3.006 1.00 35.43 O ATOM 625 CB GLU A 39 -1.297 -17.580 3.034 1.00 41.44 C ATOM 626 CG GLU A 39 -1.626 -19.082 3.069 1.00 32.44 C ATOM 627 CD GLU A 39 -0.883 -19.859 1.973 1.00 54.55 C ATOM 628 OE1 GLU A 39 0.355 -20.023 2.093 1.00 72.24 O ATOM 629 OE2 GLU A 39 -1.517 -20.293 0.987 1.00 64.34 O ATOM 0 H GLU A 39 -0.905 -17.965 5.453 1.00 33.11 H new ATOM 0 HA GLU A 39 -1.663 -15.691 4.048 1.00 13.43 H new ATOM 0 HB2 GLU A 39 -1.587 -17.184 2.061 1.00 41.44 H new ATOM 0 HB3 GLU A 39 -0.217 -17.459 3.119 1.00 41.44 H new ATOM 0 HG2 GLU A 39 -1.361 -19.489 4.045 1.00 32.44 H new ATOM 0 HG3 GLU A 39 -2.700 -19.221 2.947 1.00 32.44 H new ATOM 636 N LYS A 40 -4.281 -17.418 4.783 1.00 24.34 N ATOM 637 CA LYS A 40 -5.756 -17.424 4.664 1.00 42.24 C ATOM 638 C LYS A 40 -6.347 -16.099 5.159 1.00 61.44 C ATOM 639 O LYS A 40 -7.002 -15.400 4.389 1.00 71.04 O ATOM 640 CB LYS A 40 -6.387 -18.633 5.392 1.00 24.00 C ATOM 641 CG LYS A 40 -6.015 -19.976 4.745 1.00 1.43 C ATOM 642 CD LYS A 40 -6.710 -21.176 5.410 1.00 41.14 C ATOM 643 CE LYS A 40 -6.343 -22.509 4.741 1.00 23.45 C ATOM 644 NZ LYS A 40 -6.716 -22.541 3.300 1.00 22.35 N ATOM 0 H LYS A 40 -3.917 -17.981 5.552 1.00 24.34 H new ATOM 0 HA LYS A 40 -6.001 -17.528 3.607 1.00 42.24 H new ATOM 0 HB2 LYS A 40 -6.064 -18.634 6.433 1.00 24.00 H new ATOM 0 HB3 LYS A 40 -7.472 -18.524 5.395 1.00 24.00 H new ATOM 0 HG2 LYS A 40 -6.280 -19.950 3.688 1.00 1.43 H new ATOM 0 HG3 LYS A 40 -4.935 -20.113 4.800 1.00 1.43 H new ATOM 0 HD2 LYS A 40 -6.435 -21.214 6.464 1.00 41.14 H new ATOM 0 HD3 LYS A 40 -7.790 -21.036 5.367 1.00 41.14 H new ATOM 0 HE2 LYS A 40 -5.271 -22.679 4.840 1.00 23.45 H new ATOM 0 HE3 LYS A 40 -6.845 -23.324 5.262 1.00 23.45 H new ATOM 0 HZ1 LYS A 40 -6.591 -23.505 2.930 1.00 22.35 H new ATOM 0 HZ2 LYS A 40 -7.710 -22.255 3.192 1.00 22.35 H new ATOM 0 HZ3 LYS A 40 -6.108 -21.885 2.769 1.00 22.35 H new ATOM 658 N ARG A 41 -6.055 -15.733 6.427 1.00 54.25 N ATOM 659 CA ARG A 41 -6.551 -14.468 7.035 1.00 14.23 C ATOM 660 C ARG A 41 -5.917 -13.258 6.327 1.00 0.21 C ATOM 661 O ARG A 41 -6.512 -12.175 6.265 1.00 14.25 O ATOM 662 CB ARG A 41 -6.275 -14.410 8.570 1.00 41.22 C ATOM 663 CG ARG A 41 -7.133 -15.376 9.441 1.00 54.53 C ATOM 664 CD ARG A 41 -6.833 -16.864 9.188 1.00 72.34 C ATOM 665 NE ARG A 41 -7.614 -17.780 10.028 1.00 13.11 N ATOM 666 CZ ARG A 41 -7.409 -19.109 10.096 1.00 30.21 C ATOM 667 NH1 ARG A 41 -6.441 -19.699 9.383 1.00 63.31 N ATOM 668 NH2 ARG A 41 -8.178 -19.846 10.883 1.00 3.04 N ATOM 0 H ARG A 41 -5.478 -16.294 7.054 1.00 54.25 H new ATOM 0 HA ARG A 41 -7.632 -14.437 6.900 1.00 14.23 H new ATOM 0 HB2 ARG A 41 -5.222 -14.633 8.741 1.00 41.22 H new ATOM 0 HB3 ARG A 41 -6.445 -13.390 8.914 1.00 41.22 H new ATOM 0 HG2 ARG A 41 -6.960 -15.153 10.494 1.00 54.53 H new ATOM 0 HG3 ARG A 41 -8.189 -15.188 9.245 1.00 54.53 H new ATOM 0 HD2 ARG A 41 -7.030 -17.091 8.140 1.00 72.34 H new ATOM 0 HD3 ARG A 41 -5.772 -17.045 9.360 1.00 72.34 H new ATOM 0 HE ARG A 41 -8.361 -17.384 10.598 1.00 13.11 H new ATOM 0 HH11 ARG A 41 -5.843 -19.140 8.775 1.00 63.31 H new ATOM 0 HH12 ARG A 41 -6.302 -20.707 9.448 1.00 63.31 H new ATOM 0 HH21 ARG A 41 -8.918 -19.406 11.431 1.00 3.04 H new ATOM 0 HH22 ARG A 41 -8.031 -20.854 10.941 1.00 3.04 H new ATOM 682 N LEU A 42 -4.701 -13.488 5.803 1.00 75.01 N ATOM 683 CA LEU A 42 -3.978 -12.572 4.920 1.00 12.14 C ATOM 684 C LEU A 42 -4.809 -12.209 3.677 1.00 4.03 C ATOM 685 O LEU A 42 -5.095 -11.036 3.433 1.00 32.35 O ATOM 686 CB LEU A 42 -2.658 -13.270 4.505 1.00 44.02 C ATOM 687 CG LEU A 42 -1.734 -12.554 3.484 1.00 24.12 C ATOM 688 CD1 LEU A 42 -1.441 -11.135 3.934 1.00 24.21 C ATOM 689 CD2 LEU A 42 -0.428 -13.349 3.277 1.00 1.40 C ATOM 0 H LEU A 42 -4.182 -14.346 5.992 1.00 75.01 H new ATOM 0 HA LEU A 42 -3.775 -11.638 5.445 1.00 12.14 H new ATOM 0 HB2 LEU A 42 -2.078 -13.448 5.410 1.00 44.02 H new ATOM 0 HB3 LEU A 42 -2.914 -14.246 4.094 1.00 44.02 H new ATOM 0 HG LEU A 42 -2.253 -12.506 2.526 1.00 24.12 H new ATOM 0 HD11 LEU A 42 -0.792 -10.649 3.206 1.00 24.21 H new ATOM 0 HD12 LEU A 42 -2.375 -10.579 4.016 1.00 24.21 H new ATOM 0 HD13 LEU A 42 -0.945 -11.156 4.905 1.00 24.21 H new ATOM 0 HD21 LEU A 42 0.204 -12.829 2.558 1.00 1.40 H new ATOM 0 HD22 LEU A 42 0.099 -13.436 4.227 1.00 1.40 H new ATOM 0 HD23 LEU A 42 -0.664 -14.344 2.900 1.00 1.40 H new ATOM 701 N GLU A 43 -5.213 -13.242 2.913 1.00 54.34 N ATOM 702 CA GLU A 43 -5.924 -13.054 1.637 1.00 40.34 C ATOM 703 C GLU A 43 -7.418 -12.770 1.847 1.00 52.12 C ATOM 704 O GLU A 43 -8.081 -12.301 0.927 1.00 71.34 O ATOM 705 CB GLU A 43 -5.654 -14.240 0.674 1.00 22.03 C ATOM 706 CG GLU A 43 -4.179 -14.298 0.205 1.00 21.41 C ATOM 707 CD GLU A 43 -3.888 -15.399 -0.821 1.00 34.01 C ATOM 708 OE1 GLU A 43 -4.402 -15.309 -1.959 1.00 4.11 O ATOM 709 OE2 GLU A 43 -3.132 -16.354 -0.503 1.00 30.32 O ATOM 0 H GLU A 43 -5.057 -14.219 3.160 1.00 54.34 H new ATOM 0 HA GLU A 43 -5.525 -12.162 1.154 1.00 40.34 H new ATOM 0 HB2 GLU A 43 -5.910 -15.175 1.173 1.00 22.03 H new ATOM 0 HB3 GLU A 43 -6.305 -14.154 -0.196 1.00 22.03 H new ATOM 0 HG2 GLU A 43 -3.909 -13.334 -0.227 1.00 21.41 H new ATOM 0 HG3 GLU A 43 -3.539 -14.449 1.074 1.00 21.41 H new ATOM 716 N GLU A 44 -7.925 -13.010 3.076 1.00 32.24 N ATOM 717 CA GLU A 44 -9.252 -12.530 3.501 1.00 32.34 C ATOM 718 C GLU A 44 -9.214 -11.002 3.647 1.00 52.23 C ATOM 719 O GLU A 44 -10.114 -10.306 3.175 1.00 33.32 O ATOM 720 CB GLU A 44 -9.683 -13.181 4.847 1.00 41.40 C ATOM 721 CG GLU A 44 -10.063 -14.670 4.756 1.00 64.12 C ATOM 722 CD GLU A 44 -11.289 -14.933 3.864 1.00 0.12 C ATOM 723 OE1 GLU A 44 -12.433 -14.776 4.346 1.00 4.44 O ATOM 724 OE2 GLU A 44 -11.124 -15.290 2.679 1.00 62.54 O ATOM 0 H GLU A 44 -7.428 -13.538 3.794 1.00 32.24 H new ATOM 0 HA GLU A 44 -9.983 -12.813 2.744 1.00 32.34 H new ATOM 0 HB2 GLU A 44 -8.869 -13.072 5.563 1.00 41.40 H new ATOM 0 HB3 GLU A 44 -10.534 -12.628 5.245 1.00 41.40 H new ATOM 0 HG2 GLU A 44 -9.213 -15.231 4.368 1.00 64.12 H new ATOM 0 HG3 GLU A 44 -10.264 -15.048 5.758 1.00 64.12 H new ATOM 731 N LYS A 45 -8.139 -10.506 4.303 1.00 60.12 N ATOM 732 CA LYS A 45 -7.880 -9.065 4.486 1.00 71.44 C ATOM 733 C LYS A 45 -7.744 -8.366 3.117 1.00 51.11 C ATOM 734 O LYS A 45 -8.217 -7.240 2.937 1.00 75.22 O ATOM 735 CB LYS A 45 -6.603 -8.868 5.353 1.00 53.44 C ATOM 736 CG LYS A 45 -6.144 -7.398 5.548 1.00 43.53 C ATOM 737 CD LYS A 45 -7.202 -6.500 6.231 1.00 71.22 C ATOM 738 CE LYS A 45 -7.543 -6.946 7.660 1.00 2.30 C ATOM 739 NZ LYS A 45 -8.596 -6.100 8.268 1.00 22.21 N ATOM 0 H LYS A 45 -7.424 -11.101 4.722 1.00 60.12 H new ATOM 0 HA LYS A 45 -8.722 -8.609 5.007 1.00 71.44 H new ATOM 0 HB2 LYS A 45 -6.781 -9.307 6.335 1.00 53.44 H new ATOM 0 HB3 LYS A 45 -5.786 -9.427 4.897 1.00 53.44 H new ATOM 0 HG2 LYS A 45 -5.232 -7.388 6.145 1.00 43.53 H new ATOM 0 HG3 LYS A 45 -5.893 -6.973 4.576 1.00 43.53 H new ATOM 0 HD2 LYS A 45 -6.837 -5.473 6.255 1.00 71.22 H new ATOM 0 HD3 LYS A 45 -8.112 -6.500 5.630 1.00 71.22 H new ATOM 0 HE2 LYS A 45 -7.875 -7.984 7.646 1.00 2.30 H new ATOM 0 HE3 LYS A 45 -6.645 -6.906 8.276 1.00 2.30 H new ATOM 0 HZ1 LYS A 45 -8.833 -6.465 9.213 1.00 22.21 H new ATOM 0 HZ2 LYS A 45 -8.251 -5.122 8.351 1.00 22.21 H new ATOM 0 HZ3 LYS A 45 -9.445 -6.117 7.668 1.00 22.21 H new ATOM 753 N ILE A 46 -7.134 -9.086 2.153 1.00 43.31 N ATOM 754 CA ILE A 46 -6.996 -8.630 0.763 1.00 50.24 C ATOM 755 C ILE A 46 -8.387 -8.421 0.123 1.00 51.12 C ATOM 756 O ILE A 46 -8.616 -7.395 -0.508 1.00 1.21 O ATOM 757 CB ILE A 46 -6.129 -9.645 -0.084 1.00 21.43 C ATOM 758 CG1 ILE A 46 -4.658 -9.650 0.438 1.00 54.11 C ATOM 759 CG2 ILE A 46 -6.188 -9.348 -1.602 1.00 21.22 C ATOM 760 CD1 ILE A 46 -3.691 -10.524 -0.334 1.00 71.31 C ATOM 0 H ILE A 46 -6.723 -10.004 2.322 1.00 43.31 H new ATOM 0 HA ILE A 46 -6.474 -7.673 0.768 1.00 50.24 H new ATOM 0 HB ILE A 46 -6.555 -10.640 0.048 1.00 21.43 H new ATOM 0 HG12 ILE A 46 -4.284 -8.626 0.425 1.00 54.11 H new ATOM 0 HG13 ILE A 46 -4.662 -9.975 1.478 1.00 54.11 H new ATOM 0 HG21 ILE A 46 -5.576 -10.073 -2.139 1.00 21.22 H new ATOM 0 HG22 ILE A 46 -7.220 -9.418 -1.947 1.00 21.22 H new ATOM 0 HG23 ILE A 46 -5.810 -8.343 -1.791 1.00 21.22 H new ATOM 0 HD11 ILE A 46 -2.700 -10.453 0.113 1.00 71.31 H new ATOM 0 HD12 ILE A 46 -4.030 -11.559 -0.301 1.00 71.31 H new ATOM 0 HD13 ILE A 46 -3.646 -10.190 -1.370 1.00 71.31 H new ATOM 772 N GLN A 47 -9.325 -9.378 0.353 1.00 2.41 N ATOM 773 CA GLN A 47 -10.691 -9.306 -0.222 1.00 60.43 C ATOM 774 C GLN A 47 -11.489 -8.136 0.394 1.00 51.45 C ATOM 775 O GLN A 47 -12.272 -7.486 -0.300 1.00 1.14 O ATOM 776 CB GLN A 47 -11.483 -10.627 -0.018 1.00 64.55 C ATOM 777 CG GLN A 47 -10.795 -11.908 -0.536 1.00 42.32 C ATOM 778 CD GLN A 47 -10.213 -11.794 -1.953 1.00 63.25 C ATOM 779 OE1 GLN A 47 -10.905 -12.016 -2.948 1.00 13.04 O ATOM 780 NE2 GLN A 47 -8.919 -11.503 -2.047 1.00 12.22 N ATOM 0 H GLN A 47 -9.159 -10.203 0.929 1.00 2.41 H new ATOM 0 HA GLN A 47 -10.568 -9.141 -1.292 1.00 60.43 H new ATOM 0 HB2 GLN A 47 -11.682 -10.749 1.047 1.00 64.55 H new ATOM 0 HB3 GLN A 47 -12.449 -10.530 -0.514 1.00 64.55 H new ATOM 0 HG2 GLN A 47 -9.993 -12.177 0.151 1.00 42.32 H new ATOM 0 HG3 GLN A 47 -11.517 -12.725 -0.519 1.00 42.32 H new ATOM 0 HE21 GLN A 47 -8.374 -11.324 -1.204 1.00 12.22 H new ATOM 0 HE22 GLN A 47 -8.471 -11.458 -2.963 1.00 12.22 H new ATOM 789 N LYS A 48 -11.262 -7.878 1.707 1.00 31.03 N ATOM 790 CA LYS A 48 -11.940 -6.784 2.442 1.00 14.13 C ATOM 791 C LYS A 48 -11.510 -5.418 1.871 1.00 14.50 C ATOM 792 O LYS A 48 -12.334 -4.527 1.666 1.00 33.13 O ATOM 793 CB LYS A 48 -11.620 -6.827 3.966 1.00 24.33 C ATOM 794 CG LYS A 48 -11.907 -8.170 4.677 1.00 33.40 C ATOM 795 CD LYS A 48 -13.339 -8.717 4.452 1.00 24.32 C ATOM 796 CE LYS A 48 -13.591 -10.028 5.226 1.00 41.14 C ATOM 797 NZ LYS A 48 -12.551 -11.062 4.948 1.00 71.42 N ATOM 0 H LYS A 48 -10.611 -8.416 2.279 1.00 31.03 H new ATOM 0 HA LYS A 48 -13.014 -6.921 2.314 1.00 14.13 H new ATOM 0 HB2 LYS A 48 -10.567 -6.583 4.104 1.00 24.33 H new ATOM 0 HB3 LYS A 48 -12.196 -6.045 4.461 1.00 24.33 H new ATOM 0 HG2 LYS A 48 -11.188 -8.912 4.330 1.00 33.40 H new ATOM 0 HG3 LYS A 48 -11.743 -8.044 5.747 1.00 33.40 H new ATOM 0 HD2 LYS A 48 -14.066 -7.967 4.765 1.00 24.32 H new ATOM 0 HD3 LYS A 48 -13.497 -8.890 3.387 1.00 24.32 H new ATOM 0 HE2 LYS A 48 -13.613 -9.817 6.295 1.00 41.14 H new ATOM 0 HE3 LYS A 48 -14.572 -10.422 4.959 1.00 41.14 H new ATOM 0 HZ1 LYS A 48 -13.010 -11.981 4.784 1.00 71.42 H new ATOM 0 HZ2 LYS A 48 -12.008 -10.790 4.103 1.00 71.42 H new ATOM 0 HZ3 LYS A 48 -11.909 -11.136 5.763 1.00 71.42 H new ATOM 811 N LEU A 49 -10.196 -5.302 1.611 1.00 2.02 N ATOM 812 CA LEU A 49 -9.565 -4.086 1.074 1.00 63.41 C ATOM 813 C LEU A 49 -9.920 -3.855 -0.409 1.00 30.14 C ATOM 814 O LEU A 49 -10.129 -2.714 -0.820 1.00 61.42 O ATOM 815 CB LEU A 49 -8.032 -4.169 1.268 1.00 0.52 C ATOM 816 CG LEU A 49 -7.507 -3.915 2.713 1.00 13.14 C ATOM 817 CD1 LEU A 49 -6.045 -4.372 2.863 1.00 41.30 C ATOM 818 CD2 LEU A 49 -7.663 -2.428 3.091 1.00 31.31 C ATOM 0 H LEU A 49 -9.534 -6.062 1.771 1.00 2.02 H new ATOM 0 HA LEU A 49 -9.954 -3.230 1.626 1.00 63.41 H new ATOM 0 HB2 LEU A 49 -7.700 -5.158 0.951 1.00 0.52 H new ATOM 0 HB3 LEU A 49 -7.563 -3.446 0.601 1.00 0.52 H new ATOM 0 HG LEU A 49 -8.109 -4.508 3.401 1.00 13.14 H new ATOM 0 HD11 LEU A 49 -5.707 -4.182 3.882 1.00 41.30 H new ATOM 0 HD12 LEU A 49 -5.974 -5.439 2.650 1.00 41.30 H new ATOM 0 HD13 LEU A 49 -5.418 -3.820 2.164 1.00 41.30 H new ATOM 0 HD21 LEU A 49 -7.291 -2.269 4.103 1.00 31.31 H new ATOM 0 HD22 LEU A 49 -7.093 -1.814 2.394 1.00 31.31 H new ATOM 0 HD23 LEU A 49 -8.716 -2.149 3.043 1.00 31.31 H new ATOM 830 N LYS A 50 -9.999 -4.934 -1.215 1.00 71.01 N ATOM 831 CA LYS A 50 -10.381 -4.825 -2.637 1.00 14.21 C ATOM 832 C LYS A 50 -11.855 -4.396 -2.767 1.00 12.11 C ATOM 833 O LYS A 50 -12.205 -3.658 -3.690 1.00 72.54 O ATOM 834 CB LYS A 50 -10.102 -6.152 -3.398 1.00 61.31 C ATOM 835 CG LYS A 50 -8.597 -6.494 -3.533 1.00 62.33 C ATOM 836 CD LYS A 50 -8.335 -7.790 -4.340 1.00 33.32 C ATOM 837 CE LYS A 50 -8.798 -7.687 -5.805 1.00 4.21 C ATOM 838 NZ LYS A 50 -8.617 -8.966 -6.546 1.00 20.41 N ATOM 0 H LYS A 50 -9.804 -5.886 -0.906 1.00 71.01 H new ATOM 0 HA LYS A 50 -9.765 -4.054 -3.100 1.00 14.21 H new ATOM 0 HB2 LYS A 50 -10.605 -6.969 -2.880 1.00 61.31 H new ATOM 0 HB3 LYS A 50 -10.541 -6.087 -4.394 1.00 61.31 H new ATOM 0 HG2 LYS A 50 -8.084 -5.663 -4.017 1.00 62.33 H new ATOM 0 HG3 LYS A 50 -8.165 -6.600 -2.538 1.00 62.33 H new ATOM 0 HD2 LYS A 50 -7.269 -8.018 -4.316 1.00 33.32 H new ATOM 0 HD3 LYS A 50 -8.850 -8.622 -3.859 1.00 33.32 H new ATOM 0 HE2 LYS A 50 -9.849 -7.399 -5.832 1.00 4.21 H new ATOM 0 HE3 LYS A 50 -8.238 -6.897 -6.306 1.00 4.21 H new ATOM 0 HZ1 LYS A 50 -8.942 -8.848 -7.527 1.00 20.41 H new ATOM 0 HZ2 LYS A 50 -7.611 -9.229 -6.544 1.00 20.41 H new ATOM 0 HZ3 LYS A 50 -9.171 -9.716 -6.085 1.00 20.41 H new ATOM 852 N SER A 51 -12.708 -4.844 -1.821 1.00 73.21 N ATOM 853 CA SER A 51 -14.102 -4.372 -1.703 1.00 65.15 C ATOM 854 C SER A 51 -14.168 -2.887 -1.274 1.00 13.10 C ATOM 855 O SER A 51 -15.082 -2.157 -1.680 1.00 63.43 O ATOM 856 CB SER A 51 -14.872 -5.253 -0.706 1.00 41.53 C ATOM 857 OG SER A 51 -14.853 -6.612 -1.116 1.00 42.44 O ATOM 0 H SER A 51 -12.450 -5.540 -1.121 1.00 73.21 H new ATOM 0 HA SER A 51 -14.567 -4.450 -2.686 1.00 65.15 H new ATOM 0 HB2 SER A 51 -14.429 -5.161 0.285 1.00 41.53 H new ATOM 0 HB3 SER A 51 -15.902 -4.906 -0.628 1.00 41.53 H new ATOM 0 HG SER A 51 -13.991 -7.013 -0.879 1.00 42.44 H new ATOM 863 N GLN A 52 -13.191 -2.453 -0.440 1.00 40.33 N ATOM 864 CA GLN A 52 -13.002 -1.026 -0.082 1.00 22.50 C ATOM 865 C GLN A 52 -12.437 -0.220 -1.281 1.00 44.33 C ATOM 866 O GLN A 52 -12.402 1.012 -1.243 1.00 44.23 O ATOM 867 CB GLN A 52 -12.065 -0.885 1.152 1.00 22.01 C ATOM 868 CG GLN A 52 -12.654 -1.389 2.483 1.00 1.23 C ATOM 869 CD GLN A 52 -11.671 -1.255 3.652 1.00 11.42 C ATOM 870 OE1 GLN A 52 -10.869 -2.284 3.882 1.00 23.23 O flip ATOM 871 NE2 GLN A 52 -11.626 -0.229 4.333 1.00 30.43 N flip ATOM 0 H GLN A 52 -12.516 -3.078 0.001 1.00 40.33 H new ATOM 0 HA GLN A 52 -13.979 -0.616 0.175 1.00 22.50 H new ATOM 0 HB2 GLN A 52 -11.142 -1.430 0.952 1.00 22.01 H new ATOM 0 HB3 GLN A 52 -11.797 0.165 1.266 1.00 22.01 H new ATOM 0 HG2 GLN A 52 -13.561 -0.829 2.710 1.00 1.23 H new ATOM 0 HG3 GLN A 52 -12.944 -2.434 2.375 1.00 1.23 H new ATOM 0 HE21 GLN A 52 -12.257 0.546 4.130 1.00 30.43 H new ATOM 0 HE22 GLN A 52 -10.957 -0.155 5.100 1.00 30.43 H new ATOM 880 N GLY A 53 -12.006 -0.939 -2.339 1.00 13.32 N ATOM 881 CA GLY A 53 -11.542 -0.332 -3.586 1.00 25.53 C ATOM 882 C GLY A 53 -10.049 -0.065 -3.559 1.00 4.42 C ATOM 883 O GLY A 53 -9.629 1.088 -3.542 1.00 51.33 O ATOM 0 H GLY A 53 -11.973 -1.958 -2.344 1.00 13.32 H new ATOM 0 HA2 GLY A 53 -11.779 -0.991 -4.421 1.00 25.53 H new ATOM 0 HA3 GLY A 53 -12.076 0.603 -3.756 1.00 25.53 H new ATOM 887 N PHE A 54 -9.248 -1.141 -3.492 1.00 22.40 N ATOM 888 CA PHE A 54 -7.772 -1.066 -3.516 1.00 3.10 C ATOM 889 C PHE A 54 -7.233 -2.240 -4.341 1.00 43.40 C ATOM 890 O PHE A 54 -7.751 -3.359 -4.219 1.00 34.43 O ATOM 891 CB PHE A 54 -7.183 -1.140 -2.071 1.00 54.51 C ATOM 892 CG PHE A 54 -7.579 0.019 -1.158 1.00 62.21 C ATOM 893 CD1 PHE A 54 -7.009 1.276 -1.326 1.00 51.25 C ATOM 894 CD2 PHE A 54 -8.530 -0.144 -0.145 1.00 25.11 C ATOM 895 CE1 PHE A 54 -7.386 2.327 -0.520 1.00 13.31 C ATOM 896 CE2 PHE A 54 -8.904 0.912 0.657 1.00 12.21 C ATOM 897 CZ PHE A 54 -8.327 2.143 0.473 1.00 2.34 C ATOM 0 H PHE A 54 -9.605 -2.094 -3.419 1.00 22.40 H new ATOM 0 HA PHE A 54 -7.475 -0.116 -3.959 1.00 3.10 H new ATOM 0 HB2 PHE A 54 -7.505 -2.074 -1.610 1.00 54.51 H new ATOM 0 HB3 PHE A 54 -6.096 -1.176 -2.138 1.00 54.51 H new ATOM 0 HD1 PHE A 54 -6.265 1.429 -2.094 1.00 51.25 H new ATOM 0 HD2 PHE A 54 -8.979 -1.114 0.011 1.00 25.11 H new ATOM 0 HE1 PHE A 54 -6.943 3.301 -0.666 1.00 13.31 H new ATOM 0 HE2 PHE A 54 -9.648 0.771 1.427 1.00 12.21 H new ATOM 0 HZ PHE A 54 -8.610 2.970 1.107 1.00 2.34 H new ATOM 907 N GLU A 55 -6.211 -1.995 -5.190 1.00 3.33 N ATOM 908 CA GLU A 55 -5.453 -3.087 -5.835 1.00 5.21 C ATOM 909 C GLU A 55 -4.475 -3.658 -4.800 1.00 20.33 C ATOM 910 O GLU A 55 -3.409 -3.079 -4.540 1.00 62.01 O ATOM 911 CB GLU A 55 -4.697 -2.627 -7.117 1.00 23.41 C ATOM 912 CG GLU A 55 -3.831 -3.716 -7.808 1.00 40.05 C ATOM 913 CD GLU A 55 -4.640 -4.944 -8.247 1.00 14.53 C ATOM 914 OE1 GLU A 55 -5.160 -4.951 -9.386 1.00 54.14 O ATOM 915 OE2 GLU A 55 -4.774 -5.901 -7.451 1.00 45.42 O ATOM 0 H GLU A 55 -5.895 -1.059 -5.442 1.00 3.33 H new ATOM 0 HA GLU A 55 -6.156 -3.851 -6.167 1.00 5.21 H new ATOM 0 HB2 GLU A 55 -5.428 -2.258 -7.836 1.00 23.41 H new ATOM 0 HB3 GLU A 55 -4.054 -1.787 -6.857 1.00 23.41 H new ATOM 0 HG2 GLU A 55 -3.340 -3.282 -8.679 1.00 40.05 H new ATOM 0 HG3 GLU A 55 -3.044 -4.033 -7.124 1.00 40.05 H new ATOM 922 N VAL A 56 -4.892 -4.760 -4.170 1.00 33.14 N ATOM 923 CA VAL A 56 -4.136 -5.422 -3.108 1.00 34.11 C ATOM 924 C VAL A 56 -3.553 -6.725 -3.652 1.00 43.41 C ATOM 925 O VAL A 56 -4.251 -7.480 -4.336 1.00 33.24 O ATOM 926 CB VAL A 56 -5.032 -5.719 -1.852 1.00 32.44 C ATOM 927 CG1 VAL A 56 -4.175 -6.168 -0.646 1.00 74.14 C ATOM 928 CG2 VAL A 56 -5.887 -4.498 -1.496 1.00 3.12 C ATOM 0 H VAL A 56 -5.775 -5.222 -4.387 1.00 33.14 H new ATOM 0 HA VAL A 56 -3.336 -4.754 -2.787 1.00 34.11 H new ATOM 0 HB VAL A 56 -5.702 -6.541 -2.104 1.00 32.44 H new ATOM 0 HG11 VAL A 56 -4.823 -6.366 0.207 1.00 74.14 H new ATOM 0 HG12 VAL A 56 -3.629 -7.075 -0.905 1.00 74.14 H new ATOM 0 HG13 VAL A 56 -3.467 -5.380 -0.389 1.00 74.14 H new ATOM 0 HG21 VAL A 56 -6.500 -4.725 -0.624 1.00 3.12 H new ATOM 0 HG22 VAL A 56 -5.237 -3.652 -1.273 1.00 3.12 H new ATOM 0 HG23 VAL A 56 -6.533 -4.248 -2.338 1.00 3.12 H new ATOM 938 N ARG A 57 -2.285 -6.982 -3.327 1.00 71.10 N ATOM 939 CA ARG A 57 -1.530 -8.141 -3.822 1.00 54.41 C ATOM 940 C ARG A 57 -0.904 -8.863 -2.626 1.00 24.22 C ATOM 941 O ARG A 57 -0.506 -8.214 -1.647 1.00 40.21 O ATOM 942 CB ARG A 57 -0.415 -7.696 -4.818 1.00 41.03 C ATOM 943 CG ARG A 57 -0.896 -6.898 -6.057 1.00 12.52 C ATOM 944 CD ARG A 57 -1.950 -7.639 -6.896 1.00 51.13 C ATOM 945 NE ARG A 57 -1.456 -8.922 -7.434 1.00 22.05 N ATOM 946 CZ ARG A 57 -2.209 -10.016 -7.652 1.00 30.04 C ATOM 947 NH1 ARG A 57 -3.510 -10.019 -7.387 1.00 54.21 N ATOM 948 NH2 ARG A 57 -1.652 -11.110 -8.158 1.00 4.25 N ATOM 0 H ARG A 57 -1.743 -6.384 -2.703 1.00 71.10 H new ATOM 0 HA ARG A 57 -2.207 -8.810 -4.354 1.00 54.41 H new ATOM 0 HB2 ARG A 57 0.308 -7.087 -4.276 1.00 41.03 H new ATOM 0 HB3 ARG A 57 0.112 -8.585 -5.164 1.00 41.03 H new ATOM 0 HG2 ARG A 57 -1.311 -5.946 -5.727 1.00 12.52 H new ATOM 0 HG3 ARG A 57 -0.037 -6.670 -6.688 1.00 12.52 H new ATOM 0 HD2 ARG A 57 -2.832 -7.823 -6.282 1.00 51.13 H new ATOM 0 HD3 ARG A 57 -2.264 -7.001 -7.722 1.00 51.13 H new ATOM 0 HE ARG A 57 -0.463 -8.984 -7.659 1.00 22.05 H new ATOM 0 HH11 ARG A 57 -3.956 -9.182 -7.011 1.00 54.21 H new ATOM 0 HH12 ARG A 57 -4.064 -10.858 -7.559 1.00 54.21 H new ATOM 0 HH21 ARG A 57 -0.657 -11.119 -8.380 1.00 4.25 H new ATOM 0 HH22 ARG A 57 -2.220 -11.941 -8.325 1.00 4.25 H new ATOM 962 N LYS A 58 -0.827 -10.200 -2.696 1.00 63.10 N ATOM 963 CA LYS A 58 -0.142 -11.013 -1.686 1.00 13.51 C ATOM 964 C LYS A 58 1.336 -11.077 -2.075 1.00 23.34 C ATOM 965 O LYS A 58 1.669 -11.392 -3.225 1.00 50.43 O ATOM 966 CB LYS A 58 -0.778 -12.441 -1.594 1.00 10.12 C ATOM 967 CG LYS A 58 -0.366 -13.282 -0.345 1.00 1.41 C ATOM 968 CD LYS A 58 0.933 -14.116 -0.511 1.00 74.22 C ATOM 969 CE LYS A 58 0.727 -15.360 -1.393 1.00 64.35 C ATOM 970 NZ LYS A 58 -0.234 -16.324 -0.781 1.00 54.54 N ATOM 0 H LYS A 58 -1.238 -10.745 -3.454 1.00 63.10 H new ATOM 0 HA LYS A 58 -0.246 -10.566 -0.697 1.00 13.51 H new ATOM 0 HB2 LYS A 58 -1.863 -12.337 -1.598 1.00 10.12 H new ATOM 0 HB3 LYS A 58 -0.508 -12.998 -2.491 1.00 10.12 H new ATOM 0 HG2 LYS A 58 -0.240 -12.608 0.502 1.00 1.41 H new ATOM 0 HG3 LYS A 58 -1.184 -13.958 -0.096 1.00 1.41 H new ATOM 0 HD2 LYS A 58 1.710 -13.489 -0.949 1.00 74.22 H new ATOM 0 HD3 LYS A 58 1.290 -14.426 0.471 1.00 74.22 H new ATOM 0 HE2 LYS A 58 0.360 -15.054 -2.372 1.00 64.35 H new ATOM 0 HE3 LYS A 58 1.685 -15.855 -1.552 1.00 64.35 H new ATOM 0 HZ1 LYS A 58 -0.133 -17.253 -1.238 1.00 54.54 H new ATOM 0 HZ2 LYS A 58 -0.034 -16.415 0.236 1.00 54.54 H new ATOM 0 HZ3 LYS A 58 -1.205 -15.977 -0.913 1.00 54.54 H new ATOM 984 N VAL A 59 2.213 -10.783 -1.120 1.00 1.31 N ATOM 985 CA VAL A 59 3.671 -10.759 -1.336 1.00 74.24 C ATOM 986 C VAL A 59 4.348 -11.779 -0.420 1.00 41.20 C ATOM 987 O VAL A 59 3.788 -12.181 0.613 1.00 23.33 O ATOM 988 CB VAL A 59 4.280 -9.322 -1.116 1.00 24.42 C ATOM 989 CG1 VAL A 59 3.900 -8.375 -2.277 1.00 64.43 C ATOM 990 CG2 VAL A 59 3.838 -8.739 0.244 1.00 23.52 C ATOM 0 H VAL A 59 1.939 -10.552 -0.165 1.00 1.31 H new ATOM 0 HA VAL A 59 3.859 -11.027 -2.376 1.00 74.24 H new ATOM 0 HB VAL A 59 5.366 -9.415 -1.104 1.00 24.42 H new ATOM 0 HG11 VAL A 59 4.333 -7.390 -2.100 1.00 64.43 H new ATOM 0 HG12 VAL A 59 4.284 -8.777 -3.215 1.00 64.43 H new ATOM 0 HG13 VAL A 59 2.815 -8.289 -2.336 1.00 64.43 H new ATOM 0 HG21 VAL A 59 4.271 -7.747 0.373 1.00 23.52 H new ATOM 0 HG22 VAL A 59 2.751 -8.667 0.273 1.00 23.52 H new ATOM 0 HG23 VAL A 59 4.180 -9.391 1.048 1.00 23.52 H new ATOM 1000 N LYS A 60 5.552 -12.187 -0.825 1.00 33.44 N ATOM 1001 CA LYS A 60 6.309 -13.260 -0.163 1.00 4.34 C ATOM 1002 C LYS A 60 6.990 -12.729 1.110 1.00 70.25 C ATOM 1003 O LYS A 60 6.919 -13.344 2.186 1.00 14.12 O ATOM 1004 CB LYS A 60 7.359 -13.822 -1.159 1.00 33.22 C ATOM 1005 CG LYS A 60 6.776 -14.176 -2.548 1.00 71.35 C ATOM 1006 CD LYS A 60 7.853 -14.640 -3.556 1.00 42.23 C ATOM 1007 CE LYS A 60 7.296 -14.775 -4.980 1.00 64.25 C ATOM 1008 NZ LYS A 60 8.323 -15.250 -5.945 1.00 63.11 N ATOM 0 H LYS A 60 6.036 -11.782 -1.627 1.00 33.44 H new ATOM 0 HA LYS A 60 5.631 -14.060 0.133 1.00 4.34 H new ATOM 0 HB2 LYS A 60 8.155 -13.088 -1.286 1.00 33.22 H new ATOM 0 HB3 LYS A 60 7.814 -14.714 -0.728 1.00 33.22 H new ATOM 0 HG2 LYS A 60 6.031 -14.963 -2.433 1.00 71.35 H new ATOM 0 HG3 LYS A 60 6.260 -13.305 -2.952 1.00 71.35 H new ATOM 0 HD2 LYS A 60 8.678 -13.928 -3.557 1.00 42.23 H new ATOM 0 HD3 LYS A 60 8.260 -15.599 -3.235 1.00 42.23 H new ATOM 0 HE2 LYS A 60 6.456 -15.470 -4.975 1.00 64.25 H new ATOM 0 HE3 LYS A 60 6.909 -13.811 -5.310 1.00 64.25 H new ATOM 0 HZ1 LYS A 60 7.901 -15.326 -6.892 1.00 63.11 H new ATOM 0 HZ2 LYS A 60 9.113 -14.575 -5.971 1.00 63.11 H new ATOM 0 HZ3 LYS A 60 8.674 -16.182 -5.647 1.00 63.11 H new ATOM 1022 N ASP A 61 7.616 -11.551 0.959 1.00 71.23 N ATOM 1023 CA ASP A 61 8.416 -10.901 2.009 1.00 60.35 C ATOM 1024 C ASP A 61 8.643 -9.418 1.618 1.00 0.21 C ATOM 1025 O ASP A 61 8.228 -9.001 0.527 1.00 24.23 O ATOM 1026 CB ASP A 61 9.761 -11.675 2.187 1.00 72.02 C ATOM 1027 CG ASP A 61 10.571 -11.236 3.416 1.00 74.31 C ATOM 1028 OD1 ASP A 61 10.230 -11.646 4.550 1.00 32.34 O ATOM 1029 OD2 ASP A 61 11.539 -10.466 3.256 1.00 22.35 O ATOM 0 H ASP A 61 7.580 -11.016 0.091 1.00 71.23 H new ATOM 0 HA ASP A 61 7.895 -10.923 2.966 1.00 60.35 H new ATOM 0 HB2 ASP A 61 9.548 -12.741 2.266 1.00 72.02 H new ATOM 0 HB3 ASP A 61 10.370 -11.537 1.294 1.00 72.02 H new ATOM 1034 N ASP A 62 9.296 -8.619 2.496 1.00 70.23 N ATOM 1035 CA ASP A 62 9.618 -7.200 2.194 1.00 33.20 C ATOM 1036 C ASP A 62 10.762 -7.121 1.157 1.00 12.32 C ATOM 1037 O ASP A 62 10.918 -6.107 0.467 1.00 51.44 O ATOM 1038 CB ASP A 62 9.971 -6.415 3.478 1.00 22.05 C ATOM 1039 CG ASP A 62 11.249 -6.916 4.172 1.00 11.52 C ATOM 1040 OD1 ASP A 62 11.179 -7.912 4.921 1.00 71.24 O ATOM 1041 OD2 ASP A 62 12.331 -6.320 3.979 1.00 64.05 O ATOM 0 H ASP A 62 9.610 -8.930 3.416 1.00 70.23 H new ATOM 0 HA ASP A 62 8.731 -6.733 1.766 1.00 33.20 H new ATOM 0 HB2 ASP A 62 10.092 -5.361 3.228 1.00 22.05 H new ATOM 0 HB3 ASP A 62 9.137 -6.483 4.177 1.00 22.05 H new ATOM 1046 N ASP A 63 11.570 -8.201 1.115 1.00 4.43 N ATOM 1047 CA ASP A 63 12.494 -8.514 0.003 1.00 52.50 C ATOM 1048 C ASP A 63 11.753 -8.443 -1.348 1.00 31.01 C ATOM 1049 O ASP A 63 12.165 -7.721 -2.268 1.00 21.23 O ATOM 1050 CB ASP A 63 13.101 -9.936 0.210 1.00 30.32 C ATOM 1051 CG ASP A 63 13.962 -10.415 -0.975 1.00 53.01 C ATOM 1052 OD1 ASP A 63 15.138 -10.020 -1.069 1.00 42.53 O ATOM 1053 OD2 ASP A 63 13.463 -11.186 -1.829 1.00 11.42 O ATOM 0 H ASP A 63 11.600 -8.892 1.865 1.00 4.43 H new ATOM 0 HA ASP A 63 13.299 -7.779 -0.007 1.00 52.50 H new ATOM 0 HB2 ASP A 63 13.710 -9.934 1.114 1.00 30.32 H new ATOM 0 HB3 ASP A 63 12.292 -10.648 0.372 1.00 30.32 H new ATOM 1058 N ASP A 64 10.622 -9.178 -1.413 1.00 13.41 N ATOM 1059 CA ASP A 64 9.760 -9.268 -2.605 1.00 14.11 C ATOM 1060 C ASP A 64 9.105 -7.903 -2.903 1.00 62.32 C ATOM 1061 O ASP A 64 8.931 -7.529 -4.058 1.00 50.44 O ATOM 1062 CB ASP A 64 8.674 -10.361 -2.388 1.00 61.52 C ATOM 1063 CG ASP A 64 7.856 -10.680 -3.648 1.00 32.23 C ATOM 1064 OD1 ASP A 64 8.450 -11.215 -4.609 1.00 63.32 O ATOM 1065 OD2 ASP A 64 6.628 -10.438 -3.672 1.00 2.44 O ATOM 0 H ASP A 64 10.280 -9.732 -0.627 1.00 13.41 H new ATOM 0 HA ASP A 64 10.371 -9.545 -3.464 1.00 14.11 H new ATOM 0 HB2 ASP A 64 9.156 -11.274 -2.038 1.00 61.52 H new ATOM 0 HB3 ASP A 64 7.996 -10.035 -1.599 1.00 61.52 H new ATOM 1070 N ILE A 65 8.798 -7.165 -1.820 1.00 31.02 N ATOM 1071 CA ILE A 65 8.149 -5.834 -1.875 1.00 24.14 C ATOM 1072 C ILE A 65 9.034 -4.773 -2.564 1.00 73.21 C ATOM 1073 O ILE A 65 8.567 -4.070 -3.456 1.00 15.42 O ATOM 1074 CB ILE A 65 7.711 -5.364 -0.434 1.00 20.10 C ATOM 1075 CG1 ILE A 65 6.523 -6.243 0.058 1.00 52.31 C ATOM 1076 CG2 ILE A 65 7.372 -3.851 -0.363 1.00 20.34 C ATOM 1077 CD1 ILE A 65 6.059 -5.973 1.472 1.00 25.54 C ATOM 0 H ILE A 65 8.994 -7.477 -0.869 1.00 31.02 H new ATOM 0 HA ILE A 65 7.255 -5.940 -2.489 1.00 24.14 H new ATOM 0 HB ILE A 65 8.562 -5.500 0.233 1.00 20.10 H new ATOM 0 HG12 ILE A 65 5.680 -6.096 -0.617 1.00 52.31 H new ATOM 0 HG13 ILE A 65 6.813 -7.291 -0.017 1.00 52.31 H new ATOM 0 HG21 ILE A 65 7.078 -3.591 0.654 1.00 20.34 H new ATOM 0 HG22 ILE A 65 8.248 -3.268 -0.648 1.00 20.34 H new ATOM 0 HG23 ILE A 65 6.551 -3.630 -1.045 1.00 20.34 H new ATOM 0 HD11 ILE A 65 5.230 -6.637 1.716 1.00 25.54 H new ATOM 0 HD12 ILE A 65 6.881 -6.150 2.165 1.00 25.54 H new ATOM 0 HD13 ILE A 65 5.731 -4.937 1.556 1.00 25.54 H new ATOM 1089 N ASP A 66 10.310 -4.666 -2.157 1.00 14.44 N ATOM 1090 CA ASP A 66 11.245 -3.663 -2.727 1.00 44.52 C ATOM 1091 C ASP A 66 11.482 -3.905 -4.235 1.00 42.42 C ATOM 1092 O ASP A 66 11.621 -2.961 -5.019 1.00 51.20 O ATOM 1093 CB ASP A 66 12.580 -3.670 -1.944 1.00 2.41 C ATOM 1094 CG ASP A 66 13.571 -2.586 -2.419 1.00 54.30 C ATOM 1095 OD1 ASP A 66 13.284 -1.378 -2.237 1.00 71.50 O ATOM 1096 OD2 ASP A 66 14.640 -2.933 -2.973 1.00 60.30 O ATOM 0 H ASP A 66 10.724 -5.258 -1.437 1.00 14.44 H new ATOM 0 HA ASP A 66 10.790 -2.678 -2.626 1.00 44.52 H new ATOM 0 HB2 ASP A 66 12.372 -3.524 -0.884 1.00 2.41 H new ATOM 0 HB3 ASP A 66 13.048 -4.649 -2.045 1.00 2.41 H new ATOM 1101 N LYS A 67 11.478 -5.192 -4.617 1.00 10.51 N ATOM 1102 CA LYS A 67 11.619 -5.624 -6.019 1.00 62.21 C ATOM 1103 C LYS A 67 10.294 -5.433 -6.791 1.00 12.54 C ATOM 1104 O LYS A 67 10.305 -5.220 -8.009 1.00 0.31 O ATOM 1105 CB LYS A 67 12.071 -7.096 -6.076 1.00 51.21 C ATOM 1106 CG LYS A 67 13.455 -7.357 -5.441 1.00 5.33 C ATOM 1107 CD LYS A 67 13.896 -8.840 -5.544 1.00 13.31 C ATOM 1108 CE LYS A 67 12.879 -9.808 -4.910 1.00 32.14 C ATOM 1109 NZ LYS A 67 13.396 -11.198 -4.837 1.00 51.43 N ATOM 0 H LYS A 67 11.377 -5.966 -3.961 1.00 10.51 H new ATOM 0 HA LYS A 67 12.378 -5.004 -6.496 1.00 62.21 H new ATOM 0 HB2 LYS A 67 11.329 -7.712 -5.569 1.00 51.21 H new ATOM 0 HB3 LYS A 67 12.095 -7.417 -7.117 1.00 51.21 H new ATOM 0 HG2 LYS A 67 14.198 -6.727 -5.930 1.00 5.33 H new ATOM 0 HG3 LYS A 67 13.429 -7.063 -4.392 1.00 5.33 H new ATOM 0 HD2 LYS A 67 14.035 -9.101 -6.593 1.00 13.31 H new ATOM 0 HD3 LYS A 67 14.862 -8.962 -5.054 1.00 13.31 H new ATOM 0 HE2 LYS A 67 12.628 -9.463 -3.907 1.00 32.14 H new ATOM 0 HE3 LYS A 67 11.957 -9.795 -5.491 1.00 32.14 H new ATOM 0 HZ1 LYS A 67 12.720 -11.844 -5.292 1.00 51.43 H new ATOM 0 HZ2 LYS A 67 14.312 -11.254 -5.326 1.00 51.43 H new ATOM 0 HZ3 LYS A 67 13.518 -11.471 -3.841 1.00 51.43 H new ATOM 1123 N TRP A 68 9.166 -5.532 -6.057 1.00 12.53 N ATOM 1124 CA TRP A 68 7.808 -5.288 -6.589 1.00 2.11 C ATOM 1125 C TRP A 68 7.692 -3.810 -7.002 1.00 12.04 C ATOM 1126 O TRP A 68 7.233 -3.498 -8.091 1.00 23.33 O ATOM 1127 CB TRP A 68 6.735 -5.661 -5.512 1.00 34.10 C ATOM 1128 CG TRP A 68 5.320 -5.829 -6.024 1.00 31.44 C ATOM 1129 CD1 TRP A 68 4.721 -7.005 -6.387 1.00 51.05 C ATOM 1130 CD2 TRP A 68 4.322 -4.803 -6.202 1.00 45.42 C ATOM 1131 NE1 TRP A 68 3.427 -6.772 -6.779 1.00 3.44 N ATOM 1132 CE2 TRP A 68 3.159 -5.432 -6.674 1.00 12.31 C ATOM 1133 CE3 TRP A 68 4.300 -3.416 -6.004 1.00 51.30 C ATOM 1134 CZ2 TRP A 68 1.990 -4.725 -6.953 1.00 3.11 C ATOM 1135 CZ3 TRP A 68 3.141 -2.716 -6.277 1.00 1.04 C ATOM 1136 CH2 TRP A 68 1.998 -3.371 -6.746 1.00 75.51 C ATOM 0 H TRP A 68 9.172 -5.786 -5.069 1.00 12.53 H new ATOM 0 HA TRP A 68 7.631 -5.913 -7.464 1.00 2.11 H new ATOM 0 HB2 TRP A 68 7.039 -6.590 -5.029 1.00 34.10 H new ATOM 0 HB3 TRP A 68 6.734 -4.888 -4.744 1.00 34.10 H new ATOM 0 HD1 TRP A 68 5.197 -7.974 -6.368 1.00 51.05 H new ATOM 0 HE1 TRP A 68 2.769 -7.483 -7.098 1.00 3.44 H new ATOM 0 HE3 TRP A 68 5.178 -2.901 -5.643 1.00 51.30 H new ATOM 0 HZ2 TRP A 68 1.108 -5.228 -7.320 1.00 3.11 H new ATOM 0 HZ3 TRP A 68 3.117 -1.647 -6.126 1.00 1.04 H new ATOM 0 HH2 TRP A 68 1.105 -2.799 -6.949 1.00 75.51 H new ATOM 1147 N ILE A 69 8.183 -2.921 -6.127 1.00 13.32 N ATOM 1148 CA ILE A 69 8.183 -1.464 -6.360 1.00 4.44 C ATOM 1149 C ILE A 69 9.237 -1.097 -7.432 1.00 72.05 C ATOM 1150 O ILE A 69 9.017 -0.173 -8.222 1.00 30.35 O ATOM 1151 CB ILE A 69 8.400 -0.664 -5.000 1.00 32.12 C ATOM 1152 CG1 ILE A 69 7.047 -0.523 -4.219 1.00 0.25 C ATOM 1153 CG2 ILE A 69 9.060 0.726 -5.199 1.00 64.13 C ATOM 1154 CD1 ILE A 69 6.526 -1.794 -3.584 1.00 62.24 C ATOM 0 H ILE A 69 8.594 -3.190 -5.233 1.00 13.32 H new ATOM 0 HA ILE A 69 7.206 -1.168 -6.741 1.00 4.44 H new ATOM 0 HB ILE A 69 9.100 -1.254 -4.409 1.00 32.12 H new ATOM 0 HG12 ILE A 69 7.175 0.227 -3.438 1.00 0.25 H new ATOM 0 HG13 ILE A 69 6.290 -0.143 -4.905 1.00 0.25 H new ATOM 0 HG21 ILE A 69 9.178 1.215 -4.232 1.00 64.13 H new ATOM 0 HG22 ILE A 69 10.038 0.601 -5.664 1.00 64.13 H new ATOM 0 HG23 ILE A 69 8.429 1.340 -5.841 1.00 64.13 H new ATOM 0 HD11 ILE A 69 5.588 -1.586 -3.070 1.00 62.24 H new ATOM 0 HD12 ILE A 69 6.358 -2.544 -4.357 1.00 62.24 H new ATOM 0 HD13 ILE A 69 7.257 -2.169 -2.867 1.00 62.24 H new ATOM 1166 N ASP A 70 10.350 -1.866 -7.473 1.00 44.43 N ATOM 1167 CA ASP A 70 11.439 -1.687 -8.462 1.00 12.03 C ATOM 1168 C ASP A 70 10.884 -1.730 -9.890 1.00 22.22 C ATOM 1169 O ASP A 70 11.116 -0.815 -10.688 1.00 72.14 O ATOM 1170 CB ASP A 70 12.533 -2.780 -8.276 1.00 44.20 C ATOM 1171 CG ASP A 70 13.781 -2.582 -9.167 1.00 73.43 C ATOM 1172 OD1 ASP A 70 13.766 -2.985 -10.351 1.00 31.43 O ATOM 1173 OD2 ASP A 70 14.785 -2.028 -8.681 1.00 53.21 O ATOM 0 H ASP A 70 10.519 -2.630 -6.819 1.00 44.43 H new ATOM 0 HA ASP A 70 11.892 -0.710 -8.296 1.00 12.03 H new ATOM 0 HB2 ASP A 70 12.844 -2.793 -7.231 1.00 44.20 H new ATOM 0 HB3 ASP A 70 12.097 -3.756 -8.491 1.00 44.20 H new ATOM 1178 N LYS A 71 10.098 -2.779 -10.181 1.00 61.31 N ATOM 1179 CA LYS A 71 9.555 -2.996 -11.523 1.00 61.33 C ATOM 1180 C LYS A 71 8.407 -2.015 -11.834 1.00 35.53 C ATOM 1181 O LYS A 71 8.222 -1.662 -12.984 1.00 32.34 O ATOM 1182 CB LYS A 71 9.173 -4.495 -11.749 1.00 15.02 C ATOM 1183 CG LYS A 71 8.136 -5.138 -10.782 1.00 32.41 C ATOM 1184 CD LYS A 71 6.656 -4.792 -11.088 1.00 2.10 C ATOM 1185 CE LYS A 71 6.243 -5.097 -12.544 1.00 63.42 C ATOM 1186 NZ LYS A 71 6.510 -6.507 -12.923 1.00 11.00 N ATOM 0 H LYS A 71 9.827 -3.489 -9.501 1.00 61.31 H new ATOM 0 HA LYS A 71 10.339 -2.775 -12.247 1.00 61.33 H new ATOM 0 HB2 LYS A 71 8.788 -4.592 -12.764 1.00 15.02 H new ATOM 0 HB3 LYS A 71 10.088 -5.084 -11.697 1.00 15.02 H new ATOM 0 HG2 LYS A 71 8.255 -6.221 -10.813 1.00 32.41 H new ATOM 0 HG3 LYS A 71 8.365 -4.822 -9.764 1.00 32.41 H new ATOM 0 HD2 LYS A 71 6.012 -5.353 -10.411 1.00 2.10 H new ATOM 0 HD3 LYS A 71 6.488 -3.734 -10.885 1.00 2.10 H new ATOM 0 HE2 LYS A 71 5.181 -4.884 -12.670 1.00 63.42 H new ATOM 0 HE3 LYS A 71 6.783 -4.433 -13.219 1.00 63.42 H new ATOM 0 HZ1 LYS A 71 6.140 -6.686 -13.878 1.00 11.00 H new ATOM 0 HZ2 LYS A 71 7.535 -6.682 -12.911 1.00 11.00 H new ATOM 0 HZ3 LYS A 71 6.043 -7.143 -12.246 1.00 11.00 H new ATOM 1200 N ILE A 72 7.662 -1.556 -10.794 1.00 43.43 N ATOM 1201 CA ILE A 72 6.581 -0.547 -10.966 1.00 20.20 C ATOM 1202 C ILE A 72 7.172 0.806 -11.436 1.00 55.25 C ATOM 1203 O ILE A 72 6.620 1.458 -12.324 1.00 21.34 O ATOM 1204 CB ILE A 72 5.747 -0.339 -9.635 1.00 43.42 C ATOM 1205 CG1 ILE A 72 4.994 -1.639 -9.208 1.00 10.43 C ATOM 1206 CG2 ILE A 72 4.747 0.834 -9.760 1.00 41.11 C ATOM 1207 CD1 ILE A 72 3.902 -2.123 -10.154 1.00 3.24 C ATOM 0 H ILE A 72 7.789 -1.867 -9.831 1.00 43.43 H new ATOM 0 HA ILE A 72 5.902 -0.929 -11.728 1.00 20.20 H new ATOM 0 HB ILE A 72 6.470 -0.093 -8.858 1.00 43.42 H new ATOM 0 HG12 ILE A 72 5.727 -2.438 -9.093 1.00 10.43 H new ATOM 0 HG13 ILE A 72 4.549 -1.471 -8.227 1.00 10.43 H new ATOM 0 HG21 ILE A 72 4.195 0.943 -8.826 1.00 41.11 H new ATOM 0 HG22 ILE A 72 5.291 1.755 -9.970 1.00 41.11 H new ATOM 0 HG23 ILE A 72 4.049 0.632 -10.572 1.00 41.11 H new ATOM 0 HD11 ILE A 72 3.451 -3.031 -9.754 1.00 3.24 H new ATOM 0 HD12 ILE A 72 3.138 -1.352 -10.253 1.00 3.24 H new ATOM 0 HD13 ILE A 72 4.335 -2.333 -11.132 1.00 3.24 H new ATOM 1219 N LYS A 73 8.320 1.193 -10.837 1.00 4.35 N ATOM 1220 CA LYS A 73 9.052 2.426 -11.203 1.00 10.10 C ATOM 1221 C LYS A 73 9.641 2.318 -12.621 1.00 65.34 C ATOM 1222 O LYS A 73 9.774 3.325 -13.325 1.00 20.20 O ATOM 1223 CB LYS A 73 10.188 2.709 -10.186 1.00 11.52 C ATOM 1224 CG LYS A 73 9.716 2.911 -8.733 1.00 54.01 C ATOM 1225 CD LYS A 73 10.868 3.242 -7.756 1.00 33.15 C ATOM 1226 CE LYS A 73 11.952 2.152 -7.710 1.00 63.23 C ATOM 1227 NZ LYS A 73 13.050 2.508 -6.769 1.00 24.22 N ATOM 0 H LYS A 73 8.764 0.661 -10.088 1.00 4.35 H new ATOM 0 HA LYS A 73 8.341 3.252 -11.182 1.00 10.10 H new ATOM 0 HB2 LYS A 73 10.895 1.880 -10.212 1.00 11.52 H new ATOM 0 HB3 LYS A 73 10.729 3.600 -10.505 1.00 11.52 H new ATOM 0 HG2 LYS A 73 8.983 3.717 -8.705 1.00 54.01 H new ATOM 0 HG3 LYS A 73 9.210 2.007 -8.394 1.00 54.01 H new ATOM 0 HD2 LYS A 73 11.324 4.188 -8.049 1.00 33.15 H new ATOM 0 HD3 LYS A 73 10.459 3.382 -6.755 1.00 33.15 H new ATOM 0 HE2 LYS A 73 11.504 1.206 -7.406 1.00 63.23 H new ATOM 0 HE3 LYS A 73 12.362 2.004 -8.709 1.00 63.23 H new ATOM 0 HZ1 LYS A 73 13.762 1.750 -6.764 1.00 24.22 H new ATOM 0 HZ2 LYS A 73 13.493 3.398 -7.074 1.00 24.22 H new ATOM 0 HZ3 LYS A 73 12.662 2.625 -5.811 1.00 24.22 H new ATOM 1241 N LYS A 74 9.993 1.080 -13.013 1.00 31.21 N ATOM 1242 CA LYS A 74 10.594 0.770 -14.317 1.00 55.03 C ATOM 1243 C LYS A 74 9.532 0.841 -15.430 1.00 52.40 C ATOM 1244 O LYS A 74 9.794 1.362 -16.521 1.00 72.42 O ATOM 1245 CB LYS A 74 11.237 -0.640 -14.263 1.00 44.33 C ATOM 1246 CG LYS A 74 12.036 -1.045 -15.522 1.00 22.13 C ATOM 1247 CD LYS A 74 12.600 -2.482 -15.445 1.00 52.25 C ATOM 1248 CE LYS A 74 13.477 -2.726 -14.205 1.00 10.20 C ATOM 1249 NZ LYS A 74 14.020 -4.108 -14.176 1.00 65.32 N ATOM 0 H LYS A 74 9.865 0.258 -12.423 1.00 31.21 H new ATOM 0 HA LYS A 74 11.366 1.506 -14.542 1.00 55.03 H new ATOM 0 HB2 LYS A 74 11.901 -0.687 -13.400 1.00 44.33 H new ATOM 0 HB3 LYS A 74 10.449 -1.375 -14.099 1.00 44.33 H new ATOM 0 HG2 LYS A 74 11.392 -0.960 -16.397 1.00 22.13 H new ATOM 0 HG3 LYS A 74 12.859 -0.345 -15.664 1.00 22.13 H new ATOM 0 HD2 LYS A 74 11.771 -3.190 -15.440 1.00 52.25 H new ATOM 0 HD3 LYS A 74 13.186 -2.683 -16.341 1.00 52.25 H new ATOM 0 HE2 LYS A 74 14.300 -2.012 -14.196 1.00 10.20 H new ATOM 0 HE3 LYS A 74 12.890 -2.547 -13.304 1.00 10.20 H new ATOM 0 HZ1 LYS A 74 14.605 -4.233 -13.326 1.00 65.32 H new ATOM 0 HZ2 LYS A 74 13.234 -4.789 -14.159 1.00 65.32 H new ATOM 0 HZ3 LYS A 74 14.601 -4.271 -15.023 1.00 65.32 H new ATOM 1263 N GLU A 75 8.330 0.311 -15.134 1.00 54.13 N ATOM 1264 CA GLU A 75 7.181 0.333 -16.062 1.00 32.12 C ATOM 1265 C GLU A 75 6.632 1.764 -16.193 1.00 42.23 C ATOM 1266 O GLU A 75 6.308 2.226 -17.292 1.00 43.21 O ATOM 1267 CB GLU A 75 6.041 -0.607 -15.558 1.00 51.04 C ATOM 1268 CG GLU A 75 6.403 -2.106 -15.461 1.00 51.11 C ATOM 1269 CD GLU A 75 6.716 -2.764 -16.816 1.00 3.25 C ATOM 1270 OE1 GLU A 75 7.879 -2.692 -17.277 1.00 53.20 O ATOM 1271 OE2 GLU A 75 5.797 -3.343 -17.438 1.00 15.11 O ATOM 0 H GLU A 75 8.127 -0.145 -14.244 1.00 54.13 H new ATOM 0 HA GLU A 75 7.528 -0.018 -17.034 1.00 32.12 H new ATOM 0 HB2 GLU A 75 5.721 -0.265 -14.574 1.00 51.04 H new ATOM 0 HB3 GLU A 75 5.186 -0.501 -16.226 1.00 51.04 H new ATOM 0 HG2 GLU A 75 7.267 -2.219 -14.806 1.00 51.11 H new ATOM 0 HG3 GLU A 75 5.576 -2.639 -14.992 1.00 51.11 H new ATOM 1278 N ARG A 76 6.539 2.451 -15.038 1.00 54.23 N ATOM 1279 CA ARG A 76 5.866 3.752 -14.903 1.00 63.23 C ATOM 1280 C ARG A 76 6.782 4.741 -14.147 1.00 71.23 C ATOM 1281 O ARG A 76 6.746 4.793 -12.913 1.00 1.00 O ATOM 1282 CB ARG A 76 4.512 3.567 -14.151 1.00 62.43 C ATOM 1283 CG ARG A 76 3.554 2.540 -14.799 1.00 2.24 C ATOM 1284 CD ARG A 76 2.243 2.357 -14.024 1.00 31.14 C ATOM 1285 NE ARG A 76 1.410 3.573 -14.026 1.00 13.13 N ATOM 1286 CZ ARG A 76 0.293 3.738 -13.296 1.00 73.32 C ATOM 1287 NH1 ARG A 76 -0.144 2.765 -12.489 1.00 61.23 N ATOM 1288 NH2 ARG A 76 -0.379 4.881 -13.381 1.00 63.41 N ATOM 0 H ARG A 76 6.936 2.111 -14.162 1.00 54.23 H new ATOM 0 HA ARG A 76 5.661 4.161 -15.893 1.00 63.23 H new ATOM 0 HB2 ARG A 76 4.719 3.256 -13.127 1.00 62.43 H new ATOM 0 HB3 ARG A 76 4.007 4.531 -14.095 1.00 62.43 H new ATOM 0 HG2 ARG A 76 3.325 2.859 -15.816 1.00 2.24 H new ATOM 0 HG3 ARG A 76 4.061 1.578 -14.873 1.00 2.24 H new ATOM 0 HD2 ARG A 76 1.678 1.533 -14.461 1.00 31.14 H new ATOM 0 HD3 ARG A 76 2.469 2.078 -12.995 1.00 31.14 H new ATOM 0 HE ARG A 76 1.702 4.345 -14.625 1.00 13.13 H new ATOM 0 HH11 ARG A 76 0.371 1.887 -12.423 1.00 61.23 H new ATOM 0 HH12 ARG A 76 -0.993 2.901 -11.940 1.00 61.23 H new ATOM 0 HH21 ARG A 76 -0.046 5.624 -13.996 1.00 63.41 H new ATOM 0 HH22 ARG A 76 -1.228 5.016 -12.831 1.00 63.41 H new ATOM 1302 N PRO A 77 7.671 5.495 -14.864 1.00 70.30 N ATOM 1303 CA PRO A 77 8.483 6.573 -14.256 1.00 10.04 C ATOM 1304 C PRO A 77 7.752 7.933 -14.207 1.00 50.45 C ATOM 1305 O PRO A 77 8.283 8.885 -13.638 1.00 42.01 O ATOM 1306 CB PRO A 77 9.717 6.617 -15.186 1.00 35.42 C ATOM 1307 CG PRO A 77 9.162 6.296 -16.543 1.00 74.12 C ATOM 1308 CD PRO A 77 8.015 5.314 -16.305 1.00 14.35 C ATOM 0 HA PRO A 77 8.721 6.380 -13.210 1.00 10.04 H new ATOM 0 HB2 PRO A 77 10.193 7.598 -15.171 1.00 35.42 H new ATOM 0 HB3 PRO A 77 10.472 5.892 -14.882 1.00 35.42 H new ATOM 0 HG2 PRO A 77 8.807 7.197 -17.043 1.00 74.12 H new ATOM 0 HG3 PRO A 77 9.926 5.856 -17.184 1.00 74.12 H new ATOM 0 HD2 PRO A 77 7.163 5.533 -16.948 1.00 14.35 H new ATOM 0 HD3 PRO A 77 8.318 4.289 -16.516 1.00 14.35 H new ATOM 1316 N GLN A 78 6.514 8.012 -14.759 1.00 1.51 N ATOM 1317 CA GLN A 78 5.732 9.285 -14.801 1.00 14.13 C ATOM 1318 C GLN A 78 5.180 9.689 -13.409 1.00 25.14 C ATOM 1319 O GLN A 78 4.509 10.722 -13.276 1.00 70.40 O ATOM 1320 CB GLN A 78 4.550 9.188 -15.815 1.00 25.23 C ATOM 1321 CG GLN A 78 4.934 8.719 -17.234 1.00 31.31 C ATOM 1322 CD GLN A 78 3.828 8.940 -18.281 1.00 14.13 C ATOM 1323 OE1 GLN A 78 3.799 9.961 -18.977 1.00 23.32 O ATOM 1324 NE2 GLN A 78 2.881 8.013 -18.370 1.00 2.14 N ATOM 0 H GLN A 78 6.034 7.217 -15.180 1.00 1.51 H new ATOM 0 HA GLN A 78 6.429 10.057 -15.127 1.00 14.13 H new ATOM 0 HB2 GLN A 78 3.804 8.502 -15.413 1.00 25.23 H new ATOM 0 HB3 GLN A 78 4.076 10.167 -15.890 1.00 25.23 H new ATOM 0 HG2 GLN A 78 5.833 9.248 -17.551 1.00 31.31 H new ATOM 0 HG3 GLN A 78 5.184 7.659 -17.201 1.00 31.31 H new ATOM 0 HE21 GLN A 78 2.927 7.179 -17.785 1.00 2.14 H new ATOM 0 HE22 GLN A 78 2.108 8.135 -19.024 1.00 2.14 H new ATOM 1333 N LEU A 79 5.465 8.873 -12.384 1.00 52.20 N ATOM 1334 CA LEU A 79 4.953 9.051 -11.022 1.00 2.24 C ATOM 1335 C LEU A 79 6.027 8.683 -9.982 1.00 15.01 C ATOM 1336 O LEU A 79 7.048 8.085 -10.324 1.00 61.13 O ATOM 1337 CB LEU A 79 3.653 8.205 -10.856 1.00 13.42 C ATOM 1338 CG LEU A 79 3.636 6.768 -11.503 1.00 21.03 C ATOM 1339 CD1 LEU A 79 4.535 5.768 -10.757 1.00 23.40 C ATOM 1340 CD2 LEU A 79 2.202 6.230 -11.609 1.00 43.13 C ATOM 0 H LEU A 79 6.069 8.057 -12.482 1.00 52.20 H new ATOM 0 HA LEU A 79 4.705 10.099 -10.851 1.00 2.24 H new ATOM 0 HB2 LEU A 79 3.455 8.097 -9.790 1.00 13.42 H new ATOM 0 HB3 LEU A 79 2.824 8.774 -11.278 1.00 13.42 H new ATOM 0 HG LEU A 79 4.047 6.876 -12.507 1.00 21.03 H new ATOM 0 HD11 LEU A 79 4.483 4.796 -11.248 1.00 23.40 H new ATOM 0 HD12 LEU A 79 5.565 6.126 -10.768 1.00 23.40 H new ATOM 0 HD13 LEU A 79 4.195 5.672 -9.726 1.00 23.40 H new ATOM 0 HD21 LEU A 79 2.218 5.237 -12.059 1.00 43.13 H new ATOM 0 HD22 LEU A 79 1.761 6.170 -10.614 1.00 43.13 H new ATOM 0 HD23 LEU A 79 1.607 6.900 -12.230 1.00 43.13 H new ATOM 1352 N GLU A 80 5.806 9.073 -8.726 1.00 4.41 N ATOM 1353 CA GLU A 80 6.598 8.599 -7.588 1.00 64.34 C ATOM 1354 C GLU A 80 5.965 7.293 -7.063 1.00 2.14 C ATOM 1355 O GLU A 80 4.746 7.155 -7.103 1.00 71.13 O ATOM 1356 CB GLU A 80 6.603 9.682 -6.483 1.00 61.44 C ATOM 1357 CG GLU A 80 7.381 9.288 -5.221 1.00 4.40 C ATOM 1358 CD GLU A 80 7.164 10.233 -4.036 1.00 23.32 C ATOM 1359 OE1 GLU A 80 7.815 11.302 -3.971 1.00 63.34 O ATOM 1360 OE2 GLU A 80 6.326 9.925 -3.164 1.00 44.34 O ATOM 0 H GLU A 80 5.069 9.730 -8.467 1.00 4.41 H new ATOM 0 HA GLU A 80 7.628 8.406 -7.890 1.00 64.34 H new ATOM 0 HB2 GLU A 80 7.032 10.598 -6.889 1.00 61.44 H new ATOM 0 HB3 GLU A 80 5.573 9.907 -6.206 1.00 61.44 H new ATOM 0 HG2 GLU A 80 7.090 8.280 -4.927 1.00 4.40 H new ATOM 0 HG3 GLU A 80 8.445 9.256 -5.457 1.00 4.40 H new ATOM 1367 N VAL A 81 6.793 6.331 -6.614 1.00 12.53 N ATOM 1368 CA VAL A 81 6.317 5.097 -5.945 1.00 72.22 C ATOM 1369 C VAL A 81 6.950 5.028 -4.545 1.00 53.13 C ATOM 1370 O VAL A 81 8.168 4.847 -4.412 1.00 53.34 O ATOM 1371 CB VAL A 81 6.656 3.788 -6.762 1.00 70.21 C ATOM 1372 CG1 VAL A 81 5.961 2.549 -6.152 1.00 32.35 C ATOM 1373 CG2 VAL A 81 6.284 3.940 -8.252 1.00 71.05 C ATOM 0 H VAL A 81 7.808 6.383 -6.702 1.00 12.53 H new ATOM 0 HA VAL A 81 5.230 5.144 -5.878 1.00 72.22 H new ATOM 0 HB VAL A 81 7.734 3.638 -6.698 1.00 70.21 H new ATOM 0 HG11 VAL A 81 6.214 1.665 -6.737 1.00 32.35 H new ATOM 0 HG12 VAL A 81 6.297 2.413 -5.124 1.00 32.35 H new ATOM 0 HG13 VAL A 81 4.881 2.695 -6.164 1.00 32.35 H new ATOM 0 HG21 VAL A 81 6.531 3.021 -8.784 1.00 71.05 H new ATOM 0 HG22 VAL A 81 5.216 4.136 -8.342 1.00 71.05 H new ATOM 0 HG23 VAL A 81 6.843 4.770 -8.684 1.00 71.05 H new ATOM 1383 N ARG A 82 6.114 5.180 -3.509 1.00 74.31 N ATOM 1384 CA ARG A 82 6.555 5.336 -2.109 1.00 23.50 C ATOM 1385 C ARG A 82 6.181 4.078 -1.300 1.00 3.34 C ATOM 1386 O ARG A 82 4.992 3.794 -1.138 1.00 41.11 O ATOM 1387 CB ARG A 82 5.852 6.578 -1.502 1.00 71.13 C ATOM 1388 CG ARG A 82 6.236 6.917 -0.042 1.00 33.31 C ATOM 1389 CD ARG A 82 7.597 7.620 0.079 1.00 2.42 C ATOM 1390 NE ARG A 82 7.608 8.912 -0.640 1.00 14.33 N ATOM 1391 CZ ARG A 82 7.751 10.125 -0.078 1.00 53.14 C ATOM 1392 NH1 ARG A 82 7.901 10.262 1.240 1.00 35.21 N ATOM 1393 NH2 ARG A 82 7.736 11.204 -0.852 1.00 13.22 N ATOM 0 H ARG A 82 5.100 5.199 -3.617 1.00 74.31 H new ATOM 0 HA ARG A 82 7.636 5.467 -2.074 1.00 23.50 H new ATOM 0 HB2 ARG A 82 6.076 7.442 -2.128 1.00 71.13 H new ATOM 0 HB3 ARG A 82 4.774 6.422 -1.548 1.00 71.13 H new ATOM 0 HG2 ARG A 82 5.465 7.555 0.391 1.00 33.31 H new ATOM 0 HG3 ARG A 82 6.256 5.998 0.544 1.00 33.31 H new ATOM 0 HD2 ARG A 82 7.829 7.786 1.131 1.00 2.42 H new ATOM 0 HD3 ARG A 82 8.378 6.974 -0.321 1.00 2.42 H new ATOM 0 HE ARG A 82 7.497 8.880 -1.653 1.00 14.33 H new ATOM 0 HH11 ARG A 82 7.909 9.438 1.841 1.00 35.21 H new ATOM 0 HH12 ARG A 82 8.008 11.191 1.647 1.00 35.21 H new ATOM 0 HH21 ARG A 82 7.617 11.107 -1.860 1.00 13.22 H new ATOM 0 HH22 ARG A 82 7.843 12.130 -0.438 1.00 13.22 H new ATOM 1407 N LYS A 83 7.187 3.316 -0.820 1.00 31.53 N ATOM 1408 CA LYS A 83 6.950 2.183 0.097 1.00 53.31 C ATOM 1409 C LYS A 83 6.673 2.722 1.507 1.00 4.22 C ATOM 1410 O LYS A 83 7.511 3.420 2.087 1.00 11.30 O ATOM 1411 CB LYS A 83 8.148 1.200 0.160 1.00 31.23 C ATOM 1412 CG LYS A 83 8.592 0.630 -1.198 1.00 24.22 C ATOM 1413 CD LYS A 83 9.509 -0.608 -1.068 1.00 2.43 C ATOM 1414 CE LYS A 83 10.722 -0.387 -0.146 1.00 75.12 C ATOM 1415 NZ LYS A 83 11.547 0.780 -0.555 1.00 4.01 N ATOM 0 H LYS A 83 8.169 3.465 -1.052 1.00 31.53 H new ATOM 0 HA LYS A 83 6.093 1.631 -0.288 1.00 53.31 H new ATOM 0 HB2 LYS A 83 8.995 1.712 0.617 1.00 31.23 H new ATOM 0 HB3 LYS A 83 7.884 0.371 0.817 1.00 31.23 H new ATOM 0 HG2 LYS A 83 7.709 0.361 -1.778 1.00 24.22 H new ATOM 0 HG3 LYS A 83 9.116 1.405 -1.756 1.00 24.22 H new ATOM 0 HD2 LYS A 83 8.923 -1.445 -0.688 1.00 2.43 H new ATOM 0 HD3 LYS A 83 9.864 -0.892 -2.059 1.00 2.43 H new ATOM 0 HE2 LYS A 83 10.374 -0.241 0.877 1.00 75.12 H new ATOM 0 HE3 LYS A 83 11.342 -1.283 -0.147 1.00 75.12 H new ATOM 0 HZ1 LYS A 83 12.368 0.863 0.078 1.00 4.01 H new ATOM 0 HZ2 LYS A 83 11.875 0.647 -1.533 1.00 4.01 H new ATOM 0 HZ3 LYS A 83 10.975 1.647 -0.496 1.00 4.01 H new ATOM 1429 N VAL A 84 5.493 2.392 2.028 1.00 74.13 N ATOM 1430 CA VAL A 84 5.011 2.823 3.347 1.00 15.32 C ATOM 1431 C VAL A 84 4.893 1.594 4.256 1.00 33.23 C ATOM 1432 O VAL A 84 3.869 0.909 4.278 1.00 52.52 O ATOM 1433 CB VAL A 84 3.630 3.571 3.190 1.00 73.04 C ATOM 1434 CG1 VAL A 84 2.948 3.868 4.548 1.00 43.55 C ATOM 1435 CG2 VAL A 84 3.814 4.863 2.364 1.00 51.34 C ATOM 0 H VAL A 84 4.824 1.801 1.534 1.00 74.13 H new ATOM 0 HA VAL A 84 5.713 3.522 3.802 1.00 15.32 H new ATOM 0 HB VAL A 84 2.959 2.899 2.655 1.00 73.04 H new ATOM 0 HG11 VAL A 84 2.003 4.383 4.376 1.00 43.55 H new ATOM 0 HG12 VAL A 84 2.760 2.932 5.073 1.00 43.55 H new ATOM 0 HG13 VAL A 84 3.600 4.499 5.152 1.00 43.55 H new ATOM 0 HG21 VAL A 84 2.854 5.370 2.263 1.00 51.34 H new ATOM 0 HG22 VAL A 84 4.520 5.521 2.870 1.00 51.34 H new ATOM 0 HG23 VAL A 84 4.197 4.611 1.375 1.00 51.34 H new ATOM 1445 N THR A 85 5.975 1.295 4.980 1.00 5.41 N ATOM 1446 CA THR A 85 6.040 0.122 5.866 1.00 73.51 C ATOM 1447 C THR A 85 5.432 0.453 7.242 1.00 45.03 C ATOM 1448 O THR A 85 4.755 -0.379 7.854 1.00 4.02 O ATOM 1449 CB THR A 85 7.513 -0.382 6.007 1.00 2.30 C ATOM 1450 OG1 THR A 85 8.359 0.690 6.452 1.00 41.41 O ATOM 1451 CG2 THR A 85 8.060 -0.935 4.672 1.00 43.04 C ATOM 0 H THR A 85 6.828 1.854 4.971 1.00 5.41 H new ATOM 0 HA THR A 85 5.453 -0.682 5.421 1.00 73.51 H new ATOM 0 HB THR A 85 7.512 -1.190 6.739 1.00 2.30 H new ATOM 0 HG1 THR A 85 8.158 0.898 7.388 1.00 41.41 H new ATOM 0 HG21 THR A 85 9.086 -1.275 4.812 1.00 43.04 H new ATOM 0 HG22 THR A 85 7.442 -1.771 4.344 1.00 43.04 H new ATOM 0 HG23 THR A 85 8.038 -0.150 3.917 1.00 43.04 H new ATOM 1459 N ASP A 86 5.675 1.684 7.705 1.00 44.14 N ATOM 1460 CA ASP A 86 5.152 2.195 8.990 1.00 44.22 C ATOM 1461 C ASP A 86 3.890 3.040 8.756 1.00 5.55 C ATOM 1462 O ASP A 86 3.762 3.712 7.731 1.00 44.12 O ATOM 1463 CB ASP A 86 6.227 3.058 9.712 1.00 42.40 C ATOM 1464 CG ASP A 86 7.482 2.258 10.100 1.00 24.32 C ATOM 1465 OD1 ASP A 86 8.341 2.026 9.221 1.00 50.13 O ATOM 1466 OD2 ASP A 86 7.612 1.845 11.277 1.00 32.23 O ATOM 0 H ASP A 86 6.244 2.364 7.200 1.00 44.14 H new ATOM 0 HA ASP A 86 4.900 1.340 9.618 1.00 44.22 H new ATOM 0 HB2 ASP A 86 6.517 3.885 9.063 1.00 42.40 H new ATOM 0 HB3 ASP A 86 5.790 3.495 10.610 1.00 42.40 H new ATOM 1471 N GLU A 87 2.969 2.982 9.733 1.00 14.21 N ATOM 1472 CA GLU A 87 1.795 3.883 9.848 1.00 70.10 C ATOM 1473 C GLU A 87 2.243 5.358 9.904 1.00 73.15 C ATOM 1474 O GLU A 87 1.578 6.251 9.347 1.00 43.42 O ATOM 1475 CB GLU A 87 0.988 3.476 11.124 1.00 0.22 C ATOM 1476 CG GLU A 87 -0.078 4.489 11.640 1.00 22.42 C ATOM 1477 CD GLU A 87 0.365 5.241 12.917 1.00 71.34 C ATOM 1478 OE1 GLU A 87 1.050 6.280 12.809 1.00 35.12 O ATOM 1479 OE2 GLU A 87 0.054 4.775 14.035 1.00 22.23 O ATOM 0 H GLU A 87 3.015 2.294 10.485 1.00 14.21 H new ATOM 0 HA GLU A 87 1.155 3.782 8.971 1.00 70.10 H new ATOM 0 HB2 GLU A 87 0.486 2.530 10.920 1.00 0.22 H new ATOM 0 HB3 GLU A 87 1.699 3.292 11.930 1.00 0.22 H new ATOM 0 HG2 GLU A 87 -0.291 5.214 10.855 1.00 22.42 H new ATOM 0 HG3 GLU A 87 -1.007 3.957 11.843 1.00 22.42 H new ATOM 1486 N ASP A 88 3.387 5.583 10.580 1.00 11.14 N ATOM 1487 CA ASP A 88 4.057 6.897 10.655 1.00 53.11 C ATOM 1488 C ASP A 88 4.278 7.485 9.246 1.00 34.43 C ATOM 1489 O ASP A 88 3.988 8.656 9.008 1.00 60.21 O ATOM 1490 CB ASP A 88 5.422 6.751 11.379 1.00 32.12 C ATOM 1491 CG ASP A 88 5.297 6.260 12.833 1.00 0.11 C ATOM 1492 OD1 ASP A 88 5.047 5.048 13.044 1.00 61.15 O ATOM 1493 OD2 ASP A 88 5.454 7.079 13.774 1.00 41.14 O ATOM 0 H ASP A 88 3.877 4.851 11.094 1.00 11.14 H new ATOM 0 HA ASP A 88 3.415 7.576 11.216 1.00 53.11 H new ATOM 0 HB2 ASP A 88 6.047 6.054 10.821 1.00 32.12 H new ATOM 0 HB3 ASP A 88 5.933 7.714 11.372 1.00 32.12 H new ATOM 1498 N GLN A 89 4.750 6.621 8.316 1.00 10.32 N ATOM 1499 CA GLN A 89 5.021 6.998 6.909 1.00 52.13 C ATOM 1500 C GLN A 89 3.724 7.372 6.177 1.00 42.03 C ATOM 1501 O GLN A 89 3.725 8.283 5.353 1.00 72.14 O ATOM 1502 CB GLN A 89 5.743 5.851 6.150 1.00 24.05 C ATOM 1503 CG GLN A 89 7.061 5.407 6.796 1.00 33.43 C ATOM 1504 CD GLN A 89 7.780 4.297 6.027 1.00 72.34 C ATOM 1505 OE1 GLN A 89 7.676 4.191 4.814 1.00 4.02 O ATOM 1506 NE2 GLN A 89 8.527 3.472 6.726 1.00 73.21 N ATOM 0 H GLN A 89 4.954 5.643 8.521 1.00 10.32 H new ATOM 0 HA GLN A 89 5.676 7.869 6.927 1.00 52.13 H new ATOM 0 HB2 GLN A 89 5.074 4.993 6.088 1.00 24.05 H new ATOM 0 HB3 GLN A 89 5.942 6.174 5.128 1.00 24.05 H new ATOM 0 HG2 GLN A 89 7.724 6.269 6.877 1.00 33.43 H new ATOM 0 HG3 GLN A 89 6.860 5.063 7.810 1.00 33.43 H new ATOM 0 HE21 GLN A 89 8.598 3.581 7.738 1.00 73.21 H new ATOM 0 HE22 GLN A 89 9.036 2.723 6.257 1.00 73.21 H new ATOM 1515 N ALA A 90 2.624 6.660 6.509 1.00 65.00 N ATOM 1516 CA ALA A 90 1.284 6.924 5.940 1.00 63.10 C ATOM 1517 C ALA A 90 0.770 8.320 6.339 1.00 71.42 C ATOM 1518 O ALA A 90 0.005 8.942 5.602 1.00 63.45 O ATOM 1519 CB ALA A 90 0.285 5.833 6.359 1.00 13.22 C ATOM 0 H ALA A 90 2.640 5.889 7.177 1.00 65.00 H new ATOM 0 HA ALA A 90 1.376 6.902 4.854 1.00 63.10 H new ATOM 0 HB1 ALA A 90 -0.692 6.050 5.928 1.00 13.22 H new ATOM 0 HB2 ALA A 90 0.633 4.864 6.001 1.00 13.22 H new ATOM 0 HB3 ALA A 90 0.205 5.811 7.446 1.00 13.22 H new ATOM 1525 N LYS A 91 1.200 8.788 7.522 1.00 22.22 N ATOM 1526 CA LYS A 91 0.918 10.158 7.995 1.00 11.44 C ATOM 1527 C LYS A 91 1.909 11.195 7.409 1.00 2.22 C ATOM 1528 O LYS A 91 1.529 12.348 7.182 1.00 11.04 O ATOM 1529 CB LYS A 91 0.931 10.194 9.542 1.00 0.12 C ATOM 1530 CG LYS A 91 -0.210 9.382 10.195 1.00 41.14 C ATOM 1531 CD LYS A 91 -0.120 9.358 11.739 1.00 22.15 C ATOM 1532 CE LYS A 91 -1.289 8.598 12.386 1.00 55.55 C ATOM 1533 NZ LYS A 91 -1.073 8.385 13.844 1.00 11.51 N ATOM 0 H LYS A 91 1.751 8.232 8.177 1.00 22.22 H new ATOM 0 HA LYS A 91 -0.074 10.436 7.639 1.00 11.44 H new ATOM 0 HB2 LYS A 91 1.887 9.809 9.897 1.00 0.12 H new ATOM 0 HB3 LYS A 91 0.862 11.230 9.872 1.00 0.12 H new ATOM 0 HG2 LYS A 91 -1.169 9.807 9.898 1.00 41.14 H new ATOM 0 HG3 LYS A 91 -0.184 8.360 9.818 1.00 41.14 H new ATOM 0 HD2 LYS A 91 0.820 8.894 12.038 1.00 22.15 H new ATOM 0 HD3 LYS A 91 -0.104 10.381 12.115 1.00 22.15 H new ATOM 0 HE2 LYS A 91 -2.213 9.155 12.233 1.00 55.55 H new ATOM 0 HE3 LYS A 91 -1.413 7.634 11.893 1.00 55.55 H new ATOM 0 HZ1 LYS A 91 -1.957 8.056 14.282 1.00 11.51 H new ATOM 0 HZ2 LYS A 91 -0.331 7.670 13.984 1.00 11.51 H new ATOM 0 HZ3 LYS A 91 -0.780 9.280 14.286 1.00 11.51 H new ATOM 1547 N GLN A 92 3.173 10.793 7.165 1.00 21.30 N ATOM 1548 CA GLN A 92 4.204 11.708 6.615 1.00 14.51 C ATOM 1549 C GLN A 92 3.874 12.097 5.161 1.00 54.20 C ATOM 1550 O GLN A 92 4.015 13.260 4.778 1.00 32.41 O ATOM 1551 CB GLN A 92 5.629 11.082 6.682 1.00 51.41 C ATOM 1552 CG GLN A 92 6.147 10.768 8.105 1.00 2.44 C ATOM 1553 CD GLN A 92 6.162 11.964 9.071 1.00 34.11 C ATOM 1554 OE1 GLN A 92 5.939 11.800 10.275 1.00 35.20 O ATOM 1555 NE2 GLN A 92 6.480 13.159 8.580 1.00 20.54 N ATOM 0 H GLN A 92 3.507 9.845 7.338 1.00 21.30 H new ATOM 0 HA GLN A 92 4.197 12.604 7.235 1.00 14.51 H new ATOM 0 HB2 GLN A 92 5.630 10.160 6.101 1.00 51.41 H new ATOM 0 HB3 GLN A 92 6.330 11.763 6.200 1.00 51.41 H new ATOM 0 HG2 GLN A 92 5.528 9.981 8.535 1.00 2.44 H new ATOM 0 HG3 GLN A 92 7.159 10.371 8.027 1.00 2.44 H new ATOM 0 HE21 GLN A 92 6.660 13.269 7.582 1.00 20.54 H new ATOM 0 HE22 GLN A 92 6.544 13.965 9.202 1.00 20.54 H new ATOM 1564 N ILE A 93 3.462 11.102 4.356 1.00 25.31 N ATOM 1565 CA ILE A 93 3.055 11.317 2.954 1.00 42.22 C ATOM 1566 C ILE A 93 1.782 12.185 2.833 1.00 41.33 C ATOM 1567 O ILE A 93 1.619 12.888 1.843 1.00 32.34 O ATOM 1568 CB ILE A 93 2.879 9.964 2.187 1.00 43.13 C ATOM 1569 CG1 ILE A 93 1.763 9.113 2.851 1.00 5.21 C ATOM 1570 CG2 ILE A 93 4.226 9.201 2.126 1.00 52.41 C ATOM 1571 CD1 ILE A 93 1.583 7.728 2.282 1.00 31.52 C ATOM 0 H ILE A 93 3.401 10.129 4.656 1.00 25.31 H new ATOM 0 HA ILE A 93 3.868 11.869 2.484 1.00 42.22 H new ATOM 0 HB ILE A 93 2.572 10.170 1.162 1.00 43.13 H new ATOM 0 HG12 ILE A 93 1.981 9.025 3.915 1.00 5.21 H new ATOM 0 HG13 ILE A 93 0.818 9.650 2.762 1.00 5.21 H new ATOM 0 HG21 ILE A 93 4.088 8.262 1.590 1.00 52.41 H new ATOM 0 HG22 ILE A 93 4.966 9.810 1.607 1.00 52.41 H new ATOM 0 HG23 ILE A 93 4.573 8.993 3.138 1.00 52.41 H new ATOM 0 HD11 ILE A 93 0.781 7.217 2.814 1.00 31.52 H new ATOM 0 HD12 ILE A 93 1.329 7.799 1.224 1.00 31.52 H new ATOM 0 HD13 ILE A 93 2.509 7.165 2.395 1.00 31.52 H new ATOM 1583 N LEU A 94 0.894 12.151 3.856 1.00 24.51 N ATOM 1584 CA LEU A 94 -0.232 13.111 3.952 1.00 70.21 C ATOM 1585 C LEU A 94 0.305 14.557 3.870 1.00 54.10 C ATOM 1586 O LEU A 94 -0.220 15.382 3.119 1.00 71.23 O ATOM 1587 CB LEU A 94 -1.050 12.904 5.264 1.00 13.23 C ATOM 1588 CG LEU A 94 -1.910 11.606 5.341 1.00 73.02 C ATOM 1589 CD1 LEU A 94 -2.520 11.418 6.747 1.00 63.33 C ATOM 1590 CD2 LEU A 94 -3.006 11.601 4.254 1.00 72.51 C ATOM 0 H LEU A 94 0.935 11.476 4.619 1.00 24.51 H new ATOM 0 HA LEU A 94 -0.906 12.930 3.115 1.00 70.21 H new ATOM 0 HB2 LEU A 94 -0.356 12.905 6.104 1.00 13.23 H new ATOM 0 HB3 LEU A 94 -1.711 13.761 5.395 1.00 13.23 H new ATOM 0 HG LEU A 94 -1.249 10.760 5.153 1.00 73.02 H new ATOM 0 HD11 LEU A 94 -3.114 10.504 6.767 1.00 63.33 H new ATOM 0 HD12 LEU A 94 -1.720 11.347 7.484 1.00 63.33 H new ATOM 0 HD13 LEU A 94 -3.157 12.270 6.984 1.00 63.33 H new ATOM 0 HD21 LEU A 94 -3.591 10.684 4.331 1.00 72.51 H new ATOM 0 HD22 LEU A 94 -3.660 12.462 4.393 1.00 72.51 H new ATOM 0 HD23 LEU A 94 -2.542 11.654 3.269 1.00 72.51 H new ATOM 1602 N GLU A 95 1.408 14.806 4.603 1.00 51.31 N ATOM 1603 CA GLU A 95 2.088 16.113 4.651 1.00 14.12 C ATOM 1604 C GLU A 95 2.979 16.338 3.402 1.00 75.44 C ATOM 1605 O GLU A 95 3.173 17.474 2.983 1.00 2.02 O ATOM 1606 CB GLU A 95 2.939 16.212 5.947 1.00 21.14 C ATOM 1607 CG GLU A 95 2.184 15.847 7.246 1.00 24.11 C ATOM 1608 CD GLU A 95 0.867 16.633 7.435 1.00 71.23 C ATOM 1609 OE1 GLU A 95 0.917 17.815 7.842 1.00 15.41 O ATOM 1610 OE2 GLU A 95 -0.224 16.075 7.172 1.00 42.22 O ATOM 0 H GLU A 95 1.856 14.097 5.184 1.00 51.31 H new ATOM 0 HA GLU A 95 1.327 16.893 4.655 1.00 14.12 H new ATOM 0 HB2 GLU A 95 3.803 15.555 5.849 1.00 21.14 H new ATOM 0 HB3 GLU A 95 3.320 17.229 6.038 1.00 21.14 H new ATOM 0 HG2 GLU A 95 1.963 14.780 7.241 1.00 24.11 H new ATOM 0 HG3 GLU A 95 2.835 16.034 8.100 1.00 24.11 H new ATOM 1617 N ASP A 96 3.459 15.230 2.797 1.00 73.45 N ATOM 1618 CA ASP A 96 4.357 15.264 1.604 1.00 73.15 C ATOM 1619 C ASP A 96 3.615 15.875 0.406 1.00 61.31 C ATOM 1620 O ASP A 96 4.158 16.697 -0.335 1.00 3.53 O ATOM 1621 CB ASP A 96 4.831 13.830 1.232 1.00 64.02 C ATOM 1622 CG ASP A 96 5.784 13.772 0.019 1.00 11.22 C ATOM 1623 OD1 ASP A 96 7.013 13.858 0.210 1.00 51.42 O ATOM 1624 OD2 ASP A 96 5.307 13.636 -1.131 1.00 15.42 O ATOM 0 H ASP A 96 3.240 14.286 3.115 1.00 73.45 H new ATOM 0 HA ASP A 96 5.226 15.874 1.850 1.00 73.15 H new ATOM 0 HB2 ASP A 96 5.332 13.390 2.094 1.00 64.02 H new ATOM 0 HB3 ASP A 96 3.957 13.214 1.022 1.00 64.02 H new ATOM 1629 N LEU A 97 2.354 15.449 0.261 1.00 33.12 N ATOM 1630 CA LEU A 97 1.455 15.881 -0.818 1.00 41.41 C ATOM 1631 C LEU A 97 1.038 17.356 -0.624 1.00 52.44 C ATOM 1632 O LEU A 97 0.729 18.044 -1.599 1.00 64.42 O ATOM 1633 CB LEU A 97 0.222 14.925 -0.880 1.00 24.23 C ATOM 1634 CG LEU A 97 0.417 13.552 -1.638 1.00 40.44 C ATOM 1635 CD1 LEU A 97 1.687 12.791 -1.232 1.00 24.01 C ATOM 1636 CD2 LEU A 97 -0.798 12.646 -1.434 1.00 45.20 C ATOM 0 H LEU A 97 1.922 14.783 0.901 1.00 33.12 H new ATOM 0 HA LEU A 97 1.977 15.825 -1.773 1.00 41.41 H new ATOM 0 HB2 LEU A 97 -0.089 14.707 0.142 1.00 24.23 H new ATOM 0 HB3 LEU A 97 -0.599 15.461 -1.356 1.00 24.23 H new ATOM 0 HG LEU A 97 0.526 13.815 -2.690 1.00 40.44 H new ATOM 0 HD11 LEU A 97 1.749 11.860 -1.796 1.00 24.01 H new ATOM 0 HD12 LEU A 97 2.563 13.404 -1.446 1.00 24.01 H new ATOM 0 HD13 LEU A 97 1.652 12.568 -0.166 1.00 24.01 H new ATOM 0 HD21 LEU A 97 -0.644 11.706 -1.964 1.00 45.20 H new ATOM 0 HD22 LEU A 97 -0.928 12.446 -0.370 1.00 45.20 H new ATOM 0 HD23 LEU A 97 -1.689 13.139 -1.822 1.00 45.20 H new ATOM 1648 N LYS A 98 1.076 17.834 0.643 1.00 73.41 N ATOM 1649 CA LYS A 98 0.750 19.233 0.990 1.00 51.00 C ATOM 1650 C LYS A 98 1.955 20.158 0.718 1.00 70.54 C ATOM 1651 O LYS A 98 1.779 21.311 0.312 1.00 13.23 O ATOM 1652 CB LYS A 98 0.302 19.358 2.477 1.00 23.23 C ATOM 1653 CG LYS A 98 -0.927 18.500 2.850 1.00 54.22 C ATOM 1654 CD LYS A 98 -2.177 18.810 1.991 1.00 1.40 C ATOM 1655 CE LYS A 98 -3.377 17.910 2.343 1.00 1.10 C ATOM 1656 NZ LYS A 98 -3.053 16.461 2.206 1.00 54.11 N ATOM 0 H LYS A 98 1.332 17.262 1.447 1.00 73.41 H new ATOM 0 HA LYS A 98 -0.081 19.544 0.357 1.00 51.00 H new ATOM 0 HB2 LYS A 98 1.136 19.075 3.119 1.00 23.23 H new ATOM 0 HB3 LYS A 98 0.077 20.403 2.689 1.00 23.23 H new ATOM 0 HG2 LYS A 98 -0.672 17.446 2.740 1.00 54.22 H new ATOM 0 HG3 LYS A 98 -1.168 18.661 3.901 1.00 54.22 H new ATOM 0 HD2 LYS A 98 -2.458 19.854 2.129 1.00 1.40 H new ATOM 0 HD3 LYS A 98 -1.929 18.683 0.937 1.00 1.40 H new ATOM 0 HE2 LYS A 98 -3.695 18.114 3.365 1.00 1.10 H new ATOM 0 HE3 LYS A 98 -4.217 18.156 1.693 1.00 1.10 H new ATOM 0 HZ1 LYS A 98 -3.824 15.893 2.611 1.00 54.11 H new ATOM 0 HZ2 LYS A 98 -2.940 16.224 1.200 1.00 54.11 H new ATOM 0 HZ3 LYS A 98 -2.168 16.254 2.712 1.00 54.11 H new ATOM 1670 N LYS A 99 3.173 19.638 0.979 1.00 13.34 N ATOM 1671 CA LYS A 99 4.437 20.336 0.669 1.00 23.34 C ATOM 1672 C LYS A 99 4.586 20.502 -0.855 1.00 4.52 C ATOM 1673 O LYS A 99 4.904 21.599 -1.334 1.00 44.35 O ATOM 1674 CB LYS A 99 5.648 19.564 1.269 1.00 31.11 C ATOM 1675 CG LYS A 99 5.602 19.443 2.807 1.00 51.23 C ATOM 1676 CD LYS A 99 6.750 18.592 3.389 1.00 50.33 C ATOM 1677 CE LYS A 99 6.559 18.301 4.888 1.00 22.43 C ATOM 1678 NZ LYS A 99 6.470 19.545 5.704 1.00 33.34 N ATOM 0 H LYS A 99 3.307 18.723 1.410 1.00 13.34 H new ATOM 0 HA LYS A 99 4.415 21.327 1.123 1.00 23.34 H new ATOM 0 HB2 LYS A 99 5.682 18.565 0.835 1.00 31.11 H new ATOM 0 HB3 LYS A 99 6.570 20.069 0.980 1.00 31.11 H new ATOM 0 HG2 LYS A 99 5.642 20.441 3.244 1.00 51.23 H new ATOM 0 HG3 LYS A 99 4.649 19.004 3.101 1.00 51.23 H new ATOM 0 HD2 LYS A 99 6.814 17.650 2.844 1.00 50.33 H new ATOM 0 HD3 LYS A 99 7.696 19.112 3.240 1.00 50.33 H new ATOM 0 HE2 LYS A 99 5.652 17.713 5.028 1.00 22.43 H new ATOM 0 HE3 LYS A 99 7.391 17.694 5.246 1.00 22.43 H new ATOM 0 HZ1 LYS A 99 6.393 19.295 6.711 1.00 33.34 H new ATOM 0 HZ2 LYS A 99 7.323 20.120 5.554 1.00 33.34 H new ATOM 0 HZ3 LYS A 99 5.631 20.089 5.417 1.00 33.34 H new ATOM 1692 N LYS A 100 4.329 19.390 -1.582 1.00 63.24 N ATOM 1693 CA LYS A 100 4.294 19.329 -3.060 1.00 2.42 C ATOM 1694 C LYS A 100 5.653 19.755 -3.676 1.00 11.43 C ATOM 1695 O LYS A 100 5.960 20.951 -3.775 1.00 22.13 O ATOM 1696 CB LYS A 100 3.072 20.150 -3.610 1.00 72.32 C ATOM 1697 CG LYS A 100 2.696 19.947 -5.107 1.00 14.04 C ATOM 1698 CD LYS A 100 3.592 20.741 -6.092 1.00 1.34 C ATOM 1699 CE LYS A 100 3.026 20.777 -7.515 1.00 52.52 C ATOM 1700 NZ LYS A 100 1.759 21.563 -7.600 1.00 3.04 N ATOM 0 H LYS A 100 4.136 18.489 -1.145 1.00 63.24 H new ATOM 0 HA LYS A 100 4.144 18.295 -3.371 1.00 2.42 H new ATOM 0 HB2 LYS A 100 2.199 19.903 -3.006 1.00 72.32 H new ATOM 0 HB3 LYS A 100 3.278 21.209 -3.454 1.00 72.32 H new ATOM 0 HG2 LYS A 100 2.760 18.886 -5.347 1.00 14.04 H new ATOM 0 HG3 LYS A 100 1.658 20.245 -5.255 1.00 14.04 H new ATOM 0 HD2 LYS A 100 3.709 21.761 -5.727 1.00 1.34 H new ATOM 0 HD3 LYS A 100 4.586 20.294 -6.113 1.00 1.34 H new ATOM 0 HE2 LYS A 100 3.766 21.211 -8.187 1.00 52.52 H new ATOM 0 HE3 LYS A 100 2.843 19.758 -7.857 1.00 52.52 H new ATOM 0 HZ1 LYS A 100 1.531 21.747 -8.598 1.00 3.04 H new ATOM 0 HZ2 LYS A 100 0.986 21.023 -7.162 1.00 3.04 H new ATOM 0 HZ3 LYS A 100 1.877 22.467 -7.099 1.00 3.04 H new ATOM 1714 N GLY A 101 6.459 18.754 -4.066 1.00 2.11 N ATOM 1715 CA GLY A 101 7.742 18.993 -4.730 1.00 42.41 C ATOM 1716 C GLY A 101 7.589 19.326 -6.210 1.00 61.21 C ATOM 1717 O GLY A 101 6.516 19.109 -6.792 1.00 45.21 O ATOM 0 H GLY A 101 6.239 17.767 -3.930 1.00 2.11 H new ATOM 0 HA2 GLY A 101 8.258 19.812 -4.229 1.00 42.41 H new ATOM 0 HA3 GLY A 101 8.371 18.109 -4.624 1.00 42.41 H new ATOM 1721 N SER A 102 8.665 19.862 -6.811 1.00 55.44 N ATOM 1722 CA SER A 102 8.711 20.198 -8.241 1.00 43.10 C ATOM 1723 C SER A 102 8.555 18.936 -9.110 1.00 33.00 C ATOM 1724 O SER A 102 9.279 17.952 -8.922 1.00 21.54 O ATOM 1725 CB SER A 102 10.041 20.915 -8.572 1.00 54.01 C ATOM 1726 OG SER A 102 10.205 22.087 -7.790 1.00 11.22 O ATOM 0 H SER A 102 9.530 20.075 -6.315 1.00 55.44 H new ATOM 0 HA SER A 102 7.879 20.866 -8.464 1.00 43.10 H new ATOM 0 HB2 SER A 102 10.876 20.237 -8.394 1.00 54.01 H new ATOM 0 HB3 SER A 102 10.062 21.176 -9.630 1.00 54.01 H new ATOM 0 HG SER A 102 11.055 22.517 -8.020 1.00 11.22 H new ATOM 1732 N LEU A 103 7.591 18.976 -10.042 1.00 2.13 N ATOM 1733 CA LEU A 103 7.368 17.889 -11.023 1.00 54.22 C ATOM 1734 C LEU A 103 7.790 18.349 -12.430 1.00 15.23 C ATOM 1735 O LEU A 103 7.517 17.664 -13.421 1.00 31.22 O ATOM 1736 CB LEU A 103 5.890 17.374 -11.019 1.00 23.23 C ATOM 1737 CG LEU A 103 4.761 18.317 -11.590 1.00 32.14 C ATOM 1738 CD1 LEU A 103 3.460 17.522 -11.854 1.00 2.05 C ATOM 1739 CD2 LEU A 103 4.461 19.508 -10.659 1.00 61.01 C ATOM 0 H LEU A 103 6.943 19.757 -10.142 1.00 2.13 H new ATOM 0 HA LEU A 103 7.991 17.046 -10.724 1.00 54.22 H new ATOM 0 HB2 LEU A 103 5.862 16.443 -11.586 1.00 23.23 H new ATOM 0 HB3 LEU A 103 5.628 17.129 -9.990 1.00 23.23 H new ATOM 0 HG LEU A 103 5.139 18.717 -12.531 1.00 32.14 H new ATOM 0 HD11 LEU A 103 2.697 18.194 -12.247 1.00 2.05 H new ATOM 0 HD12 LEU A 103 3.657 16.732 -12.579 1.00 2.05 H new ATOM 0 HD13 LEU A 103 3.109 17.079 -10.922 1.00 2.05 H new ATOM 0 HD21 LEU A 103 3.677 20.125 -11.099 1.00 61.01 H new ATOM 0 HD22 LEU A 103 4.130 19.137 -9.689 1.00 61.01 H new ATOM 0 HD23 LEU A 103 5.364 20.105 -10.530 1.00 61.01 H new ATOM 1751 N GLU A 104 8.476 19.509 -12.503 1.00 0.24 N ATOM 1752 CA GLU A 104 9.011 20.049 -13.762 1.00 44.21 C ATOM 1753 C GLU A 104 10.289 19.285 -14.164 1.00 10.45 C ATOM 1754 O GLU A 104 11.159 19.016 -13.328 1.00 13.51 O ATOM 1755 CB GLU A 104 9.295 21.581 -13.631 1.00 63.42 C ATOM 1756 CG GLU A 104 10.392 21.965 -12.608 1.00 13.30 C ATOM 1757 CD GLU A 104 10.610 23.482 -12.483 1.00 64.33 C ATOM 1758 OE1 GLU A 104 11.218 24.087 -13.395 1.00 13.53 O ATOM 1759 OE2 GLU A 104 10.155 24.080 -11.485 1.00 15.14 O ATOM 0 H GLU A 104 8.672 20.093 -11.690 1.00 0.24 H new ATOM 0 HA GLU A 104 8.265 19.914 -14.545 1.00 44.21 H new ATOM 0 HB2 GLU A 104 9.583 21.965 -14.609 1.00 63.42 H new ATOM 0 HB3 GLU A 104 8.369 22.083 -13.351 1.00 63.42 H new ATOM 0 HG2 GLU A 104 10.123 21.563 -11.631 1.00 13.30 H new ATOM 0 HG3 GLU A 104 11.331 21.494 -12.900 1.00 13.30 H new ATOM 1766 N HIS A 105 10.360 18.893 -15.438 1.00 31.45 N ATOM 1767 CA HIS A 105 11.545 18.250 -16.036 1.00 3.32 C ATOM 1768 C HIS A 105 12.052 19.133 -17.180 1.00 64.25 C ATOM 1769 O HIS A 105 11.252 19.737 -17.897 1.00 35.44 O ATOM 1770 CB HIS A 105 11.192 16.833 -16.575 1.00 73.41 C ATOM 1771 CG HIS A 105 10.865 15.814 -15.500 1.00 32.45 C ATOM 1772 ND1 HIS A 105 11.551 14.628 -15.353 1.00 3.12 N ATOM 1773 CD2 HIS A 105 9.899 15.794 -14.547 1.00 72.21 C ATOM 1774 CE1 HIS A 105 11.029 13.940 -14.358 1.00 2.01 C ATOM 1775 NE2 HIS A 105 10.029 14.625 -13.855 1.00 32.02 N ATOM 0 H HIS A 105 9.590 19.012 -16.096 1.00 31.45 H new ATOM 0 HA HIS A 105 12.318 18.137 -15.276 1.00 3.32 H new ATOM 0 HB2 HIS A 105 10.340 16.917 -17.250 1.00 73.41 H new ATOM 0 HB3 HIS A 105 12.031 16.463 -17.165 1.00 73.41 H new ATOM 0 HD2 HIS A 105 9.162 16.563 -14.369 1.00 72.21 H new ATOM 0 HE1 HIS A 105 11.367 12.974 -14.014 1.00 2.01 H new ATOM 0 HE2 HIS A 105 9.444 14.331 -13.073 1.00 32.02 H new ATOM 1784 N HIS A 106 13.384 19.190 -17.360 1.00 22.25 N ATOM 1785 CA HIS A 106 14.022 19.898 -18.497 1.00 74.20 C ATOM 1786 C HIS A 106 14.237 18.907 -19.678 1.00 43.44 C ATOM 1787 O HIS A 106 15.212 18.998 -20.436 1.00 61.31 O ATOM 1788 CB HIS A 106 15.350 20.580 -18.031 1.00 73.54 C ATOM 1789 CG HIS A 106 16.410 19.647 -17.500 1.00 22.43 C ATOM 1790 ND1 HIS A 106 17.438 19.165 -18.274 1.00 13.35 N ATOM 1791 CD2 HIS A 106 16.618 19.151 -16.254 1.00 25.41 C ATOM 1792 CE1 HIS A 106 18.225 18.408 -17.535 1.00 34.02 C ATOM 1793 NE2 HIS A 106 17.748 18.383 -16.310 1.00 55.44 N ATOM 0 H HIS A 106 14.051 18.750 -16.726 1.00 22.25 H new ATOM 0 HA HIS A 106 13.368 20.693 -18.856 1.00 74.20 H new ATOM 0 HB2 HIS A 106 15.767 21.134 -18.872 1.00 73.54 H new ATOM 0 HB3 HIS A 106 15.111 21.308 -17.256 1.00 73.54 H new ATOM 0 HD2 HIS A 106 16.006 19.329 -15.382 1.00 25.41 H new ATOM 0 HE1 HIS A 106 19.111 17.895 -17.878 1.00 34.02 H new ATOM 0 HE2 HIS A 106 18.156 17.872 -15.527 1.00 55.44 H new ATOM 1802 N HIS A 107 13.270 17.982 -19.826 1.00 43.14 N ATOM 1803 CA HIS A 107 13.255 16.918 -20.840 1.00 0.43 C ATOM 1804 C HIS A 107 11.846 16.895 -21.445 1.00 21.53 C ATOM 1805 O HIS A 107 10.890 16.477 -20.770 1.00 74.34 O ATOM 1806 CB HIS A 107 13.595 15.562 -20.161 1.00 71.12 C ATOM 1807 CG HIS A 107 13.758 14.390 -21.095 1.00 44.50 C ATOM 1808 ND1 HIS A 107 14.989 13.859 -21.415 1.00 12.51 N ATOM 1809 CD2 HIS A 107 12.845 13.610 -21.724 1.00 14.24 C ATOM 1810 CE1 HIS A 107 14.824 12.815 -22.195 1.00 21.32 C ATOM 1811 NE2 HIS A 107 13.537 12.640 -22.395 1.00 3.11 N ATOM 0 H HIS A 107 12.450 17.957 -19.220 1.00 43.14 H new ATOM 0 HA HIS A 107 13.993 17.093 -21.623 1.00 0.43 H new ATOM 0 HB2 HIS A 107 14.517 15.682 -19.592 1.00 71.12 H new ATOM 0 HB3 HIS A 107 12.807 15.327 -19.445 1.00 71.12 H new ATOM 0 HD2 HIS A 107 11.772 13.732 -21.700 1.00 14.24 H new ATOM 0 HE1 HIS A 107 15.614 12.203 -22.604 1.00 21.32 H new ATOM 0 HE2 HIS A 107 13.121 11.900 -22.960 1.00 3.11 H new ATOM 1820 N HIS A 108 11.718 17.377 -22.692 1.00 62.42 N ATOM 1821 CA HIS A 108 10.413 17.579 -23.338 1.00 21.51 C ATOM 1822 C HIS A 108 9.686 16.247 -23.608 1.00 15.41 C ATOM 1823 O HIS A 108 10.312 15.242 -23.972 1.00 32.24 O ATOM 1824 CB HIS A 108 10.543 18.419 -24.644 1.00 3.41 C ATOM 1825 CG HIS A 108 11.428 17.850 -25.734 1.00 65.43 C ATOM 1826 ND1 HIS A 108 11.212 16.623 -26.329 1.00 42.43 N ATOM 1827 CD2 HIS A 108 12.507 18.377 -26.367 1.00 1.51 C ATOM 1828 CE1 HIS A 108 12.109 16.428 -27.269 1.00 32.12 C ATOM 1829 NE2 HIS A 108 12.905 17.471 -27.311 1.00 52.41 N ATOM 0 H HIS A 108 12.512 17.636 -23.277 1.00 62.42 H new ATOM 0 HA HIS A 108 9.802 18.145 -22.635 1.00 21.51 H new ATOM 0 HB2 HIS A 108 9.545 18.563 -25.057 1.00 3.41 H new ATOM 0 HB3 HIS A 108 10.923 19.405 -24.378 1.00 3.41 H new ATOM 0 HD1 HIS A 108 10.471 15.969 -26.078 1.00 42.43 H new ATOM 0 HD2 HIS A 108 12.966 19.333 -26.163 1.00 1.51 H new ATOM 0 HE1 HIS A 108 12.180 15.555 -27.901 1.00 32.12 H new ATOM 1838 N HIS A 109 8.358 16.271 -23.415 1.00 41.42 N ATOM 1839 CA HIS A 109 7.456 15.128 -23.660 1.00 0.55 C ATOM 1840 C HIS A 109 6.242 15.602 -24.465 1.00 23.55 C ATOM 1841 O HIS A 109 5.708 16.686 -24.205 1.00 1.32 O ATOM 1842 CB HIS A 109 6.966 14.494 -22.328 1.00 30.34 C ATOM 1843 CG HIS A 109 8.031 13.799 -21.529 1.00 14.10 C ATOM 1844 ND1 HIS A 109 8.336 14.135 -20.231 1.00 53.03 N ATOM 1845 CD2 HIS A 109 8.828 12.753 -21.838 1.00 11.14 C ATOM 1846 CE1 HIS A 109 9.269 13.328 -19.779 1.00 73.51 C ATOM 1847 NE2 HIS A 109 9.584 12.479 -20.733 1.00 4.40 N ATOM 0 H HIS A 109 7.869 17.100 -23.078 1.00 41.42 H new ATOM 0 HA HIS A 109 8.011 14.373 -24.216 1.00 0.55 H new ATOM 0 HB2 HIS A 109 6.522 15.276 -21.712 1.00 30.34 H new ATOM 0 HB3 HIS A 109 6.175 13.778 -22.553 1.00 30.34 H new ATOM 0 HD2 HIS A 109 8.862 12.230 -22.783 1.00 11.14 H new ATOM 0 HE1 HIS A 109 9.704 13.357 -18.791 1.00 73.51 H new ATOM 0 HE2 HIS A 109 10.280 11.737 -20.660 1.00 4.40 H new ATOM 1856 N HIS A 110 5.827 14.792 -25.455 1.00 22.22 N ATOM 1857 CA HIS A 110 4.590 15.013 -26.236 1.00 13.22 C ATOM 1858 C HIS A 110 3.676 13.769 -26.075 1.00 54.21 C ATOM 1859 O HIS A 110 3.879 12.771 -26.803 1.00 55.22 O ATOM 1860 CB HIS A 110 4.914 15.309 -27.738 1.00 34.05 C ATOM 1861 CG HIS A 110 5.650 16.610 -27.990 1.00 32.31 C ATOM 1862 ND1 HIS A 110 6.419 16.828 -29.111 1.00 21.15 N ATOM 1863 CD2 HIS A 110 5.727 17.759 -27.268 1.00 75.03 C ATOM 1864 CE1 HIS A 110 6.927 18.043 -29.067 1.00 32.31 C ATOM 1865 NE2 HIS A 110 6.527 18.627 -27.959 1.00 65.31 N ATOM 1866 OXT HIS A 110 2.793 13.775 -25.184 1.00 36.93 O ATOM 0 H HIS A 110 6.342 13.959 -25.740 1.00 22.22 H new ATOM 0 HA HIS A 110 4.066 15.891 -25.858 1.00 13.22 H new ATOM 0 HB2 HIS A 110 5.512 14.488 -28.134 1.00 34.05 H new ATOM 0 HB3 HIS A 110 3.980 15.323 -28.300 1.00 34.05 H new ATOM 0 HD2 HIS A 110 5.244 17.952 -26.321 1.00 75.03 H new ATOM 0 HE1 HIS A 110 7.566 18.486 -29.817 1.00 32.31 H new ATOM 0 HE2 HIS A 110 6.773 19.572 -27.663 1.00 65.31 H new TER 1875 HIS A 110