USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot 180:sc= 0.00907 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.00977 K(o=0.019,f=0.93) USER MOD Set 2.1: A 100 SER OG : rot 83:sc= 0.351 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc=-0.00226 (180deg=0) USER MOD Set 3.1: A 81 THR OG1 : rot 145:sc= 1.01 USER MOD Set 3.2: A 93 THR OG1 : rot -160:sc= -0.0589 USER MOD Set 4.1: A 73 THR OG1 : rot 101:sc= 0.175 USER MOD Set 4.2: A 75 THR OG1 : rot 162:sc= 1.25 USER MOD Set 5.1: A 47 HIS : no HE2:sc= 0.434 K(o=0.87,f=-3.1!) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0.437 USER MOD Set 6.1: A 49 LYS NZ :NH3+ 145:sc= 0.346 (180deg=0) USER MOD Set 6.2: A 60 GLN : amide:sc= 0.323 K(o=0.67,f=-0.5) USER MOD Set 7.1: A 2 SER OG : rot 47:sc= 0.54 USER MOD Set 7.2: A 43 GLN : amide:sc= 0.511 K(o=1.1,f=-1.2) USER MOD Set 8.1: A 30 GLN : amide:sc= 0.865 K(o=1.9,f=-3.1) USER MOD Set 8.2: A 33 LYS NZ :NH3+ 180:sc= 1.02 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.226 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -162:sc= 1.75 USER MOD Single : A 8 GLN : amide:sc= 0.0796 X(o=0.08,f=0) USER MOD Single : A 10 GLN : amide:sc= 0.348 X(o=0.35,f=-0.048) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.67 K(o=-1.7,f=-6.3!) USER MOD Single : A 14 ASN : amide:sc= 0.767 K(o=0.77,f=-0.25) USER MOD Single : A 19 MET CE :methyl -172:sc= 0 (180deg=-0.0697) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 34:sc= 0.31 USER MOD Single : A 44 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.13) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0263 (180deg=-0.237) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= 1.08 (180deg=0.513) USER MOD Single : A 61 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.37) USER MOD Single : A 69 CYS SG : rot -150:sc= 0.0919 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0394 K(o=-0.039,f=-1.1) USER MOD Single : A 89 ASN : amide:sc= 0.141 X(o=0.14,f=-0.037) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -170:sc= 0.533 (180deg=0.477) USER MOD Single : A 97 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.019) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -175:sc= -0.775 (180deg=-0.905) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 177:sc= 0.091 (180deg=0.0879) USER MOD ----------------------------------------------------------------- ATOM 146 N SER A 2 2.912 -15.793 -1.239 1.00 23.44 N ATOM 147 CA SER A 2 2.274 -15.119 -0.115 1.00 34.33 C ATOM 148 C SER A 2 2.842 -13.708 0.034 1.00 60.43 C ATOM 149 O SER A 2 4.052 -13.509 -0.094 1.00 70.02 O ATOM 150 CB SER A 2 2.474 -15.970 1.154 1.00 73.21 C ATOM 151 OG SER A 2 1.976 -15.341 2.321 1.00 2.05 O ATOM 0 HA SER A 2 1.203 -15.015 -0.286 1.00 34.33 H new ATOM 0 HB2 SER A 2 1.976 -16.931 1.024 1.00 73.21 H new ATOM 0 HB3 SER A 2 3.536 -16.177 1.283 1.00 73.21 H new ATOM 0 HG SER A 2 1.078 -14.991 2.146 1.00 2.05 H new ATOM 157 N PHE A 3 1.932 -12.768 0.326 1.00 23.45 N ATOM 158 CA PHE A 3 2.202 -11.349 0.550 1.00 2.14 C ATOM 159 C PHE A 3 3.136 -11.054 1.739 1.00 52.53 C ATOM 160 O PHE A 3 3.727 -9.977 1.758 1.00 51.21 O ATOM 161 CB PHE A 3 0.868 -10.605 0.730 1.00 34.04 C ATOM 162 CG PHE A 3 0.002 -10.437 -0.508 1.00 74.30 C ATOM 163 CD1 PHE A 3 0.071 -9.246 -1.264 1.00 13.25 C ATOM 164 CD2 PHE A 3 -0.821 -11.491 -0.960 1.00 40.41 C ATOM 165 CE1 PHE A 3 -0.736 -9.089 -2.383 1.00 52.23 C ATOM 166 CE2 PHE A 3 -1.619 -11.314 -2.082 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.591 -10.111 -2.775 1.00 64.41 C ATOM 0 H PHE A 3 0.941 -12.992 0.416 1.00 23.45 H new ATOM 0 HA PHE A 3 2.736 -10.995 -0.332 1.00 2.14 H new ATOM 0 HB2 PHE A 3 0.284 -11.133 1.484 1.00 34.04 H new ATOM 0 HB3 PHE A 3 1.083 -9.614 1.130 1.00 34.04 H new ATOM 0 HD1 PHE A 3 0.750 -8.459 -0.972 1.00 13.25 H new ATOM 0 HD2 PHE A 3 -0.830 -12.434 -0.434 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -0.699 -8.170 -2.950 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -2.263 -12.114 -2.417 1.00 22.04 H new ATOM 0 HZ PHE A 3 -2.240 -9.969 -3.627 1.00 64.41 H new ATOM 177 N SER A 4 3.259 -12.003 2.685 1.00 22.24 N ATOM 178 CA SER A 4 4.099 -11.940 3.881 1.00 22.20 C ATOM 179 C SER A 4 5.581 -11.650 3.573 1.00 22.44 C ATOM 180 O SER A 4 6.196 -12.407 2.821 1.00 34.43 O ATOM 181 CB SER A 4 3.963 -13.271 4.647 1.00 73.43 C ATOM 182 OG SER A 4 2.702 -13.344 5.277 1.00 61.14 O ATOM 0 H SER A 4 2.743 -12.881 2.626 1.00 22.24 H new ATOM 0 HA SER A 4 3.751 -11.104 4.487 1.00 22.20 H new ATOM 0 HB2 SER A 4 4.083 -14.108 3.960 1.00 73.43 H new ATOM 0 HB3 SER A 4 4.755 -13.353 5.391 1.00 73.43 H new ATOM 0 HG SER A 4 2.626 -14.194 5.759 1.00 61.14 H new ATOM 188 N GLY A 5 6.122 -10.578 4.173 1.00 55.21 N ATOM 189 CA GLY A 5 7.518 -10.177 3.996 1.00 62.30 C ATOM 190 C GLY A 5 7.683 -8.680 4.285 1.00 12.11 C ATOM 191 O GLY A 5 6.718 -7.976 4.588 1.00 5.45 O ATOM 0 H GLY A 5 5.597 -9.965 4.797 1.00 55.21 H new ATOM 0 HA2 GLY A 5 8.157 -10.756 4.663 1.00 62.30 H new ATOM 0 HA3 GLY A 5 7.840 -10.395 2.978 1.00 62.30 H new ATOM 195 N LYS A 6 8.933 -8.203 4.165 1.00 62.03 N ATOM 196 CA LYS A 6 9.333 -6.803 4.313 1.00 45.11 C ATOM 197 C LYS A 6 9.942 -6.324 2.989 1.00 1.54 C ATOM 198 O LYS A 6 10.724 -7.059 2.390 1.00 41.23 O ATOM 199 CB LYS A 6 10.332 -6.694 5.482 1.00 53.32 C ATOM 200 CG LYS A 6 10.798 -5.256 5.795 1.00 72.05 C ATOM 201 CD LYS A 6 11.819 -5.191 6.941 1.00 60.24 C ATOM 202 CE LYS A 6 11.183 -5.407 8.321 1.00 31.03 C ATOM 203 NZ LYS A 6 12.193 -5.444 9.391 1.00 25.41 N1+ ATOM 0 H LYS A 6 9.723 -8.813 3.953 1.00 62.03 H new ATOM 0 HA LYS A 6 8.478 -6.167 4.541 1.00 45.11 H new ATOM 0 HB2 LYS A 6 9.873 -7.116 6.376 1.00 53.32 H new ATOM 0 HB3 LYS A 6 11.206 -7.304 5.254 1.00 53.32 H new ATOM 0 HG2 LYS A 6 11.238 -4.820 4.898 1.00 72.05 H new ATOM 0 HG3 LYS A 6 9.931 -4.647 6.053 1.00 72.05 H new ATOM 0 HD2 LYS A 6 12.588 -5.946 6.779 1.00 60.24 H new ATOM 0 HD3 LYS A 6 12.316 -4.221 6.923 1.00 60.24 H new ATOM 0 HE2 LYS A 6 10.471 -4.607 8.522 1.00 31.03 H new ATOM 0 HE3 LYS A 6 10.621 -6.341 8.320 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 11.723 -5.592 10.307 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 12.858 -6.223 9.214 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 12.712 -4.543 9.409 1.00 25.41 H new ATOM 217 N TYR A 7 9.555 -5.112 2.559 1.00 52.01 N ATOM 218 CA TYR A 7 9.818 -4.567 1.230 1.00 55.21 C ATOM 219 C TYR A 7 10.204 -3.087 1.345 1.00 73.55 C ATOM 220 O TYR A 7 9.362 -2.288 1.746 1.00 72.24 O ATOM 221 CB TYR A 7 8.550 -4.717 0.345 1.00 63.20 C ATOM 222 CG TYR A 7 7.898 -6.088 0.354 1.00 53.41 C ATOM 223 CD1 TYR A 7 8.333 -7.082 -0.543 1.00 60.51 C ATOM 224 CD2 TYR A 7 6.863 -6.377 1.269 1.00 23.35 C ATOM 225 CE1 TYR A 7 7.766 -8.369 -0.508 1.00 40.33 C ATOM 226 CE2 TYR A 7 6.290 -7.661 1.300 1.00 34.11 C ATOM 227 CZ TYR A 7 6.749 -8.659 0.419 1.00 61.45 C ATOM 228 OH TYR A 7 6.207 -9.907 0.455 1.00 53.42 O ATOM 0 H TYR A 7 9.033 -4.468 3.153 1.00 52.01 H new ATOM 0 HA TYR A 7 10.641 -5.114 0.771 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.813 -3.983 0.671 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.815 -4.468 -0.683 1.00 63.20 H new ATOM 0 HD1 TYR A 7 9.106 -6.855 -1.262 1.00 60.51 H new ATOM 0 HD2 TYR A 7 6.511 -5.612 1.945 1.00 23.35 H new ATOM 0 HE1 TYR A 7 8.111 -9.132 -1.191 1.00 40.33 H new ATOM 0 HE2 TYR A 7 5.498 -7.882 2.000 1.00 34.11 H new ATOM 0 HH TYR A 7 5.345 -9.876 0.920 1.00 53.42 H new ATOM 238 N GLN A 8 11.437 -2.723 0.956 1.00 1.02 N ATOM 239 CA GLN A 8 11.850 -1.319 0.843 1.00 62.04 C ATOM 240 C GLN A 8 11.260 -0.703 -0.437 1.00 10.20 C ATOM 241 O GLN A 8 11.257 -1.363 -1.476 1.00 44.43 O ATOM 242 CB GLN A 8 13.389 -1.216 0.830 1.00 2.50 C ATOM 243 CG GLN A 8 13.926 0.233 0.936 1.00 63.23 C ATOM 244 CD GLN A 8 15.322 0.385 0.338 1.00 52.24 C ATOM 245 OE1 GLN A 8 16.269 -0.259 0.786 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.460 1.245 -0.674 1.00 2.00 N ATOM 0 H GLN A 8 12.169 -3.390 0.713 1.00 1.02 H new ATOM 0 HA GLN A 8 11.474 -0.767 1.705 1.00 62.04 H new ATOM 0 HB2 GLN A 8 13.789 -1.802 1.658 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.765 -1.665 -0.089 1.00 2.50 H new ATOM 0 HG2 GLN A 8 13.240 0.909 0.426 1.00 63.23 H new ATOM 0 HG3 GLN A 8 13.949 0.533 1.984 1.00 63.23 H new ATOM 0 HE21 GLN A 8 14.651 1.761 -1.018 1.00 2.00 H new ATOM 0 HE22 GLN A 8 16.375 1.386 -1.103 1.00 2.00 H new ATOM 255 N LEU A 9 10.843 0.571 -0.343 1.00 0.12 N ATOM 256 CA LEU A 9 10.461 1.440 -1.457 1.00 63.33 C ATOM 257 C LEU A 9 11.576 1.546 -2.511 1.00 42.21 C ATOM 258 O LEU A 9 12.716 1.858 -2.161 1.00 34.12 O ATOM 259 CB LEU A 9 10.095 2.830 -0.883 1.00 4.51 C ATOM 260 CG LEU A 9 9.663 3.903 -1.909 1.00 14.33 C ATOM 261 CD1 LEU A 9 8.419 3.474 -2.708 1.00 40.25 C ATOM 262 CD2 LEU A 9 9.474 5.273 -1.226 1.00 73.22 C ATOM 0 H LEU A 9 10.761 1.041 0.559 1.00 0.12 H new ATOM 0 HA LEU A 9 9.600 1.011 -1.970 1.00 63.33 H new ATOM 0 HB2 LEU A 9 9.287 2.701 -0.163 1.00 4.51 H new ATOM 0 HB3 LEU A 9 10.955 3.210 -0.332 1.00 4.51 H new ATOM 0 HG LEU A 9 10.469 4.007 -2.636 1.00 14.33 H new ATOM 0 HD11 LEU A 9 8.153 4.259 -3.416 1.00 40.25 H new ATOM 0 HD12 LEU A 9 8.635 2.554 -3.251 1.00 40.25 H new ATOM 0 HD13 LEU A 9 7.587 3.305 -2.024 1.00 40.25 H new ATOM 0 HD21 LEU A 9 9.170 6.011 -1.969 1.00 73.22 H new ATOM 0 HD22 LEU A 9 8.705 5.193 -0.458 1.00 73.22 H new ATOM 0 HD23 LEU A 9 10.413 5.584 -0.768 1.00 73.22 H new ATOM 274 N GLN A 10 11.202 1.304 -3.775 1.00 32.14 N ATOM 275 CA GLN A 10 12.072 1.449 -4.937 1.00 23.51 C ATOM 276 C GLN A 10 11.785 2.790 -5.623 1.00 33.04 C ATOM 277 O GLN A 10 12.698 3.607 -5.739 1.00 11.12 O ATOM 278 CB GLN A 10 11.862 0.261 -5.910 1.00 41.22 C ATOM 279 CG GLN A 10 12.139 -1.132 -5.308 1.00 70.53 C ATOM 280 CD GLN A 10 13.544 -1.280 -4.724 1.00 21.25 C ATOM 281 OE1 GLN A 10 14.526 -1.295 -5.463 1.00 54.04 O ATOM 282 NE2 GLN A 10 13.648 -1.407 -3.400 1.00 41.31 N ATOM 0 H GLN A 10 10.261 0.994 -4.017 1.00 32.14 H new ATOM 0 HA GLN A 10 13.115 1.439 -4.621 1.00 23.51 H new ATOM 0 HB2 GLN A 10 10.834 0.286 -6.273 1.00 41.22 H new ATOM 0 HB3 GLN A 10 12.509 0.401 -6.776 1.00 41.22 H new ATOM 0 HG2 GLN A 10 11.407 -1.332 -4.526 1.00 70.53 H new ATOM 0 HG3 GLN A 10 11.995 -1.887 -6.081 1.00 70.53 H new ATOM 0 HE21 GLN A 10 12.810 -1.390 -2.819 1.00 41.31 H new ATOM 0 HE22 GLN A 10 14.565 -1.521 -2.969 1.00 41.31 H new ATOM 291 N SER A 11 10.527 2.995 -6.049 1.00 22.42 N ATOM 292 CA SER A 11 10.079 4.187 -6.768 1.00 54.22 C ATOM 293 C SER A 11 8.546 4.308 -6.693 1.00 43.15 C ATOM 294 O SER A 11 7.869 3.384 -6.239 1.00 65.41 O ATOM 295 CB SER A 11 10.612 4.143 -8.223 1.00 55.50 C ATOM 296 OG SER A 11 10.389 5.358 -8.911 1.00 21.52 O ATOM 0 H SER A 11 9.780 2.317 -5.896 1.00 22.42 H new ATOM 0 HA SER A 11 10.484 5.084 -6.301 1.00 54.22 H new ATOM 0 HB2 SER A 11 11.680 3.925 -8.210 1.00 55.50 H new ATOM 0 HB3 SER A 11 10.127 3.329 -8.761 1.00 55.50 H new ATOM 0 HG SER A 11 10.742 5.287 -9.823 1.00 21.52 H new ATOM 302 N GLN A 12 8.030 5.469 -7.125 1.00 52.11 N ATOM 303 CA GLN A 12 6.612 5.809 -7.128 1.00 10.15 C ATOM 304 C GLN A 12 6.344 6.928 -8.153 1.00 32.44 C ATOM 305 O GLN A 12 7.221 7.764 -8.382 1.00 14.54 O ATOM 306 CB GLN A 12 6.136 6.153 -5.689 1.00 74.31 C ATOM 307 CG GLN A 12 6.722 7.414 -5.014 1.00 73.50 C ATOM 308 CD GLN A 12 7.873 7.156 -4.036 1.00 72.40 C ATOM 309 OE1 GLN A 12 8.790 6.389 -4.312 1.00 42.42 O ATOM 310 NE2 GLN A 12 7.847 7.835 -2.887 1.00 0.03 N ATOM 0 H GLN A 12 8.615 6.219 -7.493 1.00 52.11 H new ATOM 0 HA GLN A 12 6.020 4.950 -7.444 1.00 10.15 H new ATOM 0 HB2 GLN A 12 5.052 6.260 -5.712 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.358 5.298 -5.050 1.00 74.31 H new ATOM 0 HG2 GLN A 12 7.072 8.093 -5.791 1.00 73.50 H new ATOM 0 HG3 GLN A 12 5.921 7.926 -4.481 1.00 73.50 H new ATOM 0 HE21 GLN A 12 7.071 8.466 -2.685 1.00 0.03 H new ATOM 0 HE22 GLN A 12 8.603 7.723 -2.211 1.00 0.03 H new ATOM 319 N GLU A 13 5.135 6.926 -8.738 1.00 45.34 N ATOM 320 CA GLU A 13 4.666 7.927 -9.700 1.00 24.53 C ATOM 321 C GLU A 13 3.490 8.716 -9.099 1.00 22.40 C ATOM 322 O GLU A 13 2.655 8.128 -8.412 1.00 5.02 O ATOM 323 CB GLU A 13 4.237 7.272 -11.035 1.00 33.31 C ATOM 324 CG GLU A 13 5.358 6.565 -11.832 1.00 43.25 C ATOM 325 CD GLU A 13 5.523 5.075 -11.514 1.00 23.35 C ATOM 326 OE1 GLU A 13 6.325 4.756 -10.611 1.00 25.34 O ATOM 327 OE2 GLU A 13 4.848 4.272 -12.195 1.00 32.21 O1- ATOM 0 H GLU A 13 4.439 6.205 -8.546 1.00 45.34 H new ATOM 0 HA GLU A 13 5.492 8.606 -9.911 1.00 24.53 H new ATOM 0 HB2 GLU A 13 3.453 6.544 -10.825 1.00 33.31 H new ATOM 0 HB3 GLU A 13 3.796 8.041 -11.669 1.00 33.31 H new ATOM 0 HG2 GLU A 13 5.154 6.676 -12.897 1.00 43.25 H new ATOM 0 HG3 GLU A 13 6.302 7.072 -11.634 1.00 43.25 H new ATOM 334 N ASN A 14 3.455 10.031 -9.392 1.00 13.20 N ATOM 335 CA ASN A 14 2.464 11.026 -8.937 1.00 14.42 C ATOM 336 C ASN A 14 2.372 11.132 -7.401 1.00 73.35 C ATOM 337 O ASN A 14 1.276 11.291 -6.863 1.00 12.12 O ATOM 338 CB ASN A 14 1.084 10.790 -9.615 1.00 70.55 C ATOM 339 CG ASN A 14 1.076 11.108 -11.113 1.00 40.33 C ATOM 340 OD1 ASN A 14 1.562 12.157 -11.531 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.493 10.227 -11.924 1.00 12.33 N ATOM 0 H ASN A 14 4.164 10.454 -9.991 1.00 13.20 H new ATOM 0 HA ASN A 14 2.820 12.004 -9.262 1.00 14.42 H new ATOM 0 HB2 ASN A 14 0.791 9.750 -9.471 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.334 11.405 -9.117 1.00 70.55 H new ATOM 0 HD21 ASN A 14 0.440 10.413 -12.925 1.00 12.33 H new ATOM 0 HD22 ASN A 14 0.100 9.366 -11.544 1.00 12.33 H new ATOM 348 N PHE A 15 3.534 11.057 -6.725 1.00 42.24 N ATOM 349 CA PHE A 15 3.670 11.194 -5.275 1.00 12.22 C ATOM 350 C PHE A 15 3.173 12.548 -4.759 1.00 44.34 C ATOM 351 O PHE A 15 2.335 12.577 -3.863 1.00 11.34 O ATOM 352 CB PHE A 15 5.130 10.912 -4.853 1.00 35.14 C ATOM 353 CG PHE A 15 5.433 11.075 -3.368 1.00 0.45 C ATOM 354 CD1 PHE A 15 5.835 12.328 -2.859 1.00 63.43 C ATOM 355 CD2 PHE A 15 5.139 10.035 -2.460 1.00 61.51 C ATOM 356 CE1 PHE A 15 5.978 12.509 -1.492 1.00 31.02 C ATOM 357 CE2 PHE A 15 5.313 10.230 -1.095 1.00 10.43 C ATOM 358 CZ PHE A 15 5.734 11.462 -0.614 1.00 3.43 C ATOM 0 H PHE A 15 4.426 10.895 -7.193 1.00 42.24 H new ATOM 0 HA PHE A 15 3.025 10.450 -4.808 1.00 12.22 H new ATOM 0 HB2 PHE A 15 5.383 9.893 -5.147 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.786 11.578 -5.414 1.00 35.14 H new ATOM 0 HD1 PHE A 15 6.032 13.147 -3.535 1.00 63.43 H new ATOM 0 HD2 PHE A 15 4.778 9.086 -2.827 1.00 61.51 H new ATOM 0 HE1 PHE A 15 6.281 13.472 -1.107 1.00 31.02 H new ATOM 0 HE2 PHE A 15 5.120 9.421 -0.407 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.872 11.607 0.447 1.00 3.43 H new ATOM 368 N GLU A 16 3.697 13.628 -5.356 1.00 1.55 N ATOM 369 CA GLU A 16 3.431 15.018 -4.998 1.00 11.22 C ATOM 370 C GLU A 16 1.967 15.413 -5.234 1.00 51.52 C ATOM 371 O GLU A 16 1.410 16.132 -4.408 1.00 62.13 O ATOM 372 CB GLU A 16 4.368 15.989 -5.762 1.00 73.44 C ATOM 373 CG GLU A 16 5.844 15.560 -5.932 1.00 44.03 C ATOM 374 CD GLU A 16 6.137 14.746 -7.205 1.00 73.15 C ATOM 375 OE1 GLU A 16 5.270 13.939 -7.613 1.00 1.33 O ATOM 376 OE2 GLU A 16 7.238 14.951 -7.757 1.00 53.41 O1- ATOM 0 H GLU A 16 4.347 13.546 -6.137 1.00 1.55 H new ATOM 0 HA GLU A 16 3.632 15.100 -3.930 1.00 11.22 H new ATOM 0 HB2 GLU A 16 3.948 16.153 -6.754 1.00 73.44 H new ATOM 0 HB3 GLU A 16 4.353 16.949 -5.246 1.00 73.44 H new ATOM 0 HG2 GLU A 16 6.469 16.453 -5.937 1.00 44.03 H new ATOM 0 HG3 GLU A 16 6.138 14.970 -5.064 1.00 44.03 H new ATOM 383 N ALA A 17 1.378 14.916 -6.335 1.00 1.05 N ATOM 384 CA ALA A 17 -0.023 15.121 -6.702 1.00 12.24 C ATOM 385 C ALA A 17 -1.001 14.440 -5.732 1.00 4.04 C ATOM 386 O ALA A 17 -2.011 15.047 -5.383 1.00 65.25 O ATOM 387 CB ALA A 17 -0.246 14.622 -8.136 1.00 32.13 C ATOM 0 H ALA A 17 1.884 14.344 -7.011 1.00 1.05 H new ATOM 0 HA ALA A 17 -0.230 16.189 -6.641 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -1.289 14.772 -8.415 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.396 15.178 -8.819 1.00 32.13 H new ATOM 0 HB3 ALA A 17 -0.004 13.561 -8.194 1.00 32.13 H new ATOM 393 N PHE A 18 -0.667 13.213 -5.302 1.00 52.01 N ATOM 394 CA PHE A 18 -1.455 12.417 -4.362 1.00 64.21 C ATOM 395 C PHE A 18 -1.356 12.952 -2.926 1.00 44.51 C ATOM 396 O PHE A 18 -2.383 13.045 -2.258 1.00 52.34 O ATOM 397 CB PHE A 18 -1.009 10.949 -4.474 1.00 12.02 C ATOM 398 CG PHE A 18 -1.846 9.924 -3.723 1.00 33.13 C ATOM 399 CD1 PHE A 18 -1.480 9.500 -2.429 1.00 2.05 C ATOM 400 CD2 PHE A 18 -3.070 9.479 -4.268 1.00 22.11 C ATOM 401 CE1 PHE A 18 -2.282 8.601 -1.738 1.00 10.12 C ATOM 402 CE2 PHE A 18 -3.857 8.576 -3.565 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.461 8.134 -2.309 1.00 10.15 C ATOM 0 H PHE A 18 0.182 12.739 -5.610 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.511 12.490 -4.621 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.001 10.675 -5.529 1.00 12.02 H new ATOM 0 HB3 PHE A 18 0.019 10.877 -4.118 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -0.575 9.875 -1.975 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -3.395 9.841 -5.232 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -1.989 8.264 -0.755 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -4.780 8.216 -3.996 1.00 65.33 H new ATOM 0 HZ PHE A 18 -4.072 7.423 -1.773 1.00 10.15 H new ATOM 413 N MET A 19 -0.136 13.326 -2.500 1.00 62.31 N ATOM 414 CA MET A 19 0.146 13.888 -1.179 1.00 51.31 C ATOM 415 C MET A 19 -0.384 15.332 -1.013 1.00 14.44 C ATOM 416 O MET A 19 -0.701 15.721 0.110 1.00 65.41 O ATOM 417 CB MET A 19 1.655 13.767 -0.864 1.00 62.30 C ATOM 418 CG MET A 19 1.953 13.441 0.613 1.00 22.14 C ATOM 419 SD MET A 19 2.429 11.721 0.977 1.00 35.13 S ATOM 420 CE MET A 19 1.123 10.779 0.147 1.00 52.42 C ATOM 0 H MET A 19 0.697 13.241 -3.083 1.00 62.31 H new ATOM 0 HA MET A 19 -0.403 13.302 -0.442 1.00 51.31 H new ATOM 0 HB2 MET A 19 2.088 12.989 -1.493 1.00 62.30 H new ATOM 0 HB3 MET A 19 2.149 14.702 -1.128 1.00 62.30 H new ATOM 0 HG2 MET A 19 2.754 14.097 0.954 1.00 22.14 H new ATOM 0 HG3 MET A 19 1.069 13.684 1.203 1.00 22.14 H new ATOM 0 HE1 MET A 19 1.213 9.725 0.409 1.00 52.42 H new ATOM 0 HE2 MET A 19 0.149 11.150 0.465 1.00 52.42 H new ATOM 0 HE3 MET A 19 1.221 10.895 -0.932 1.00 52.42 H new ATOM 430 N LYS A 20 -0.523 16.080 -2.124 1.00 1.35 N ATOM 431 CA LYS A 20 -1.204 17.377 -2.174 1.00 40.15 C ATOM 432 C LYS A 20 -2.732 17.211 -2.076 1.00 62.15 C ATOM 433 O LYS A 20 -3.359 17.953 -1.323 1.00 53.14 O ATOM 434 CB LYS A 20 -0.803 18.139 -3.461 1.00 35.11 C ATOM 435 CG LYS A 20 -1.437 19.540 -3.628 1.00 52.34 C ATOM 436 CD LYS A 20 -1.354 20.104 -5.056 1.00 1.33 C ATOM 437 CE LYS A 20 0.073 20.343 -5.564 1.00 34.32 C ATOM 438 NZ LYS A 20 0.061 20.959 -6.901 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.155 15.788 -3.029 1.00 1.35 H new ATOM 0 HA LYS A 20 -0.888 17.965 -1.312 1.00 40.15 H new ATOM 0 HB2 LYS A 20 0.282 18.246 -3.477 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -1.076 17.530 -4.323 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -2.484 19.490 -3.329 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -0.944 20.233 -2.947 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -1.857 19.415 -5.735 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -1.902 21.046 -5.093 1.00 1.33 H new ATOM 0 HE2 LYS A 20 0.608 20.989 -4.867 1.00 34.32 H new ATOM 0 HE3 LYS A 20 0.613 19.397 -5.600 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 1.038 21.110 -7.222 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -0.429 20.330 -7.569 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -0.435 21.872 -6.858 1.00 60.21 H new ATOM 452 N ALA A 21 -3.291 16.259 -2.848 1.00 12.13 N ATOM 453 CA ALA A 21 -4.731 16.007 -2.970 1.00 12.14 C ATOM 454 C ALA A 21 -5.419 15.611 -1.655 1.00 25.12 C ATOM 455 O ALA A 21 -6.546 16.043 -1.420 1.00 2.15 O ATOM 456 CB ALA A 21 -4.979 14.940 -4.049 1.00 42.34 C ATOM 0 H ALA A 21 -2.731 15.627 -3.420 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.184 16.955 -3.259 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -6.049 14.754 -4.138 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.591 15.292 -5.005 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.472 14.016 -3.770 1.00 42.34 H new ATOM 462 N ILE A 22 -4.717 14.834 -0.814 1.00 75.12 N ATOM 463 CA ILE A 22 -5.175 14.443 0.521 1.00 35.51 C ATOM 464 C ILE A 22 -5.081 15.572 1.575 1.00 73.45 C ATOM 465 O ILE A 22 -5.730 15.461 2.614 1.00 23.31 O ATOM 466 CB ILE A 22 -4.393 13.208 1.043 1.00 70.33 C ATOM 467 CG1 ILE A 22 -2.876 13.462 1.197 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.701 11.957 0.196 1.00 12.01 C ATOM 469 CD1 ILE A 22 -2.112 12.329 1.881 1.00 1.15 C ATOM 0 H ILE A 22 -3.800 14.456 -1.051 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.230 14.201 0.394 1.00 35.51 H new ATOM 0 HB ILE A 22 -4.751 13.017 2.055 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.446 13.629 0.209 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.730 14.379 1.768 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -4.140 11.107 0.584 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -5.768 11.739 0.243 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -4.414 12.139 -0.840 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -1.056 12.591 1.947 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.511 12.174 2.883 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -2.223 11.413 1.301 1.00 1.15 H new ATOM 481 N GLY A 23 -4.314 16.639 1.293 1.00 70.33 N ATOM 482 CA GLY A 23 -4.224 17.815 2.153 1.00 22.51 C ATOM 483 C GLY A 23 -3.114 17.706 3.210 1.00 33.33 C ATOM 484 O GLY A 23 -3.181 18.422 4.207 1.00 32.51 O ATOM 0 H GLY A 23 -3.738 16.703 0.454 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.045 18.696 1.536 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.180 17.966 2.654 1.00 22.51 H new ATOM 488 N LEU A 24 -2.087 16.857 2.999 1.00 51.21 N ATOM 489 CA LEU A 24 -0.841 16.885 3.779 1.00 40.21 C ATOM 490 C LEU A 24 -0.063 18.179 3.441 1.00 64.14 C ATOM 491 O LEU A 24 -0.065 18.578 2.274 1.00 12.25 O ATOM 492 CB LEU A 24 0.021 15.635 3.451 1.00 21.34 C ATOM 493 CG LEU A 24 0.066 14.578 4.577 1.00 34.32 C ATOM 494 CD1 LEU A 24 -1.320 13.978 4.885 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.127 13.493 4.297 1.00 73.21 C ATOM 0 H LEU A 24 -2.102 16.133 2.281 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.074 16.871 4.844 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.368 15.168 2.546 1.00 21.34 H new ATOM 0 HB3 LEU A 24 1.039 15.958 3.231 1.00 21.34 H new ATOM 0 HG LEU A 24 0.373 15.099 5.484 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -1.228 13.242 5.683 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -1.998 14.771 5.199 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.715 13.496 3.991 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.129 12.768 5.111 1.00 73.21 H new ATOM 0 HD22 LEU A 24 0.892 12.987 3.360 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.111 13.957 4.222 1.00 73.21 H new ATOM 507 N PRO A 25 0.585 18.814 4.448 1.00 71.41 N ATOM 508 CA PRO A 25 1.380 20.036 4.223 1.00 32.11 C ATOM 509 C PRO A 25 2.563 19.771 3.280 1.00 31.01 C ATOM 510 O PRO A 25 3.187 18.717 3.396 1.00 43.43 O ATOM 511 CB PRO A 25 1.838 20.440 5.634 1.00 31.20 C ATOM 512 CG PRO A 25 1.860 19.144 6.427 1.00 71.02 C ATOM 513 CD PRO A 25 0.696 18.358 5.838 1.00 65.43 C ATOM 0 HA PRO A 25 0.813 20.828 3.734 1.00 32.11 H new ATOM 0 HB2 PRO A 25 2.823 20.905 5.611 1.00 31.20 H new ATOM 0 HB3 PRO A 25 1.154 21.163 6.079 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.805 18.615 6.308 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.727 19.322 7.494 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.881 17.285 5.886 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.225 18.547 6.389 1.00 65.43 H new ATOM 521 N GLU A 26 2.828 20.719 2.358 1.00 4.45 N ATOM 522 CA GLU A 26 3.884 20.639 1.337 1.00 4.32 C ATOM 523 C GLU A 26 5.282 20.326 1.900 1.00 42.12 C ATOM 524 O GLU A 26 6.081 19.689 1.219 1.00 64.11 O ATOM 525 CB GLU A 26 3.876 21.922 0.477 1.00 30.35 C ATOM 526 CG GLU A 26 4.865 21.897 -0.709 1.00 51.21 C ATOM 527 CD GLU A 26 4.860 23.203 -1.493 1.00 74.13 C ATOM 528 OE1 GLU A 26 5.610 24.113 -1.077 1.00 53.40 O ATOM 529 OE2 GLU A 26 4.115 23.268 -2.496 1.00 73.13 O1- ATOM 0 H GLU A 26 2.295 21.587 2.305 1.00 4.45 H new ATOM 0 HA GLU A 26 3.651 19.782 0.705 1.00 4.32 H new ATOM 0 HB2 GLU A 26 2.869 22.081 0.092 1.00 30.35 H new ATOM 0 HB3 GLU A 26 4.112 22.774 1.114 1.00 30.35 H new ATOM 0 HG2 GLU A 26 5.871 21.703 -0.336 1.00 51.21 H new ATOM 0 HG3 GLU A 26 4.608 21.074 -1.376 1.00 51.21 H new ATOM 536 N GLU A 27 5.523 20.724 3.157 1.00 23.43 N ATOM 537 CA GLU A 27 6.715 20.419 3.932 1.00 42.32 C ATOM 538 C GLU A 27 6.927 18.899 4.106 1.00 60.41 C ATOM 539 O GLU A 27 7.998 18.419 3.756 1.00 20.41 O ATOM 540 CB GLU A 27 6.612 21.223 5.240 1.00 44.32 C ATOM 541 CG GLU A 27 7.942 21.399 5.988 1.00 65.14 C ATOM 542 CD GLU A 27 7.951 22.713 6.771 1.00 54.33 C ATOM 543 OE1 GLU A 27 7.898 22.644 8.018 1.00 1.32 O ATOM 544 OE2 GLU A 27 8.005 23.766 6.097 1.00 2.33 O1- ATOM 0 H GLU A 27 4.856 21.293 3.678 1.00 23.43 H new ATOM 0 HA GLU A 27 7.623 20.724 3.411 1.00 42.32 H new ATOM 0 HB2 GLU A 27 6.204 22.208 5.014 1.00 44.32 H new ATOM 0 HB3 GLU A 27 5.901 20.727 5.901 1.00 44.32 H new ATOM 0 HG2 GLU A 27 8.095 20.562 6.670 1.00 65.14 H new ATOM 0 HG3 GLU A 27 8.769 21.387 5.278 1.00 65.14 H new ATOM 551 N LEU A 28 5.880 18.162 4.522 1.00 0.12 N ATOM 552 CA LEU A 28 5.856 16.692 4.589 1.00 12.23 C ATOM 553 C LEU A 28 5.898 16.005 3.209 1.00 43.24 C ATOM 554 O LEU A 28 6.312 14.846 3.157 1.00 61.10 O ATOM 555 CB LEU A 28 4.619 16.210 5.390 1.00 51.32 C ATOM 556 CG LEU A 28 4.825 16.097 6.920 1.00 2.11 C ATOM 557 CD1 LEU A 28 5.255 17.416 7.598 1.00 52.22 C ATOM 558 CD2 LEU A 28 3.577 15.485 7.592 1.00 72.24 C ATOM 0 H LEU A 28 5.004 18.586 4.829 1.00 0.12 H new ATOM 0 HA LEU A 28 6.771 16.398 5.103 1.00 12.23 H new ATOM 0 HB2 LEU A 28 3.794 16.897 5.201 1.00 51.32 H new ATOM 0 HB3 LEU A 28 4.316 15.235 5.008 1.00 51.32 H new ATOM 0 HG LEU A 28 5.668 15.422 7.065 1.00 2.11 H new ATOM 0 HD11 LEU A 28 5.378 17.252 8.668 1.00 52.22 H new ATOM 0 HD12 LEU A 28 6.200 17.753 7.172 1.00 52.22 H new ATOM 0 HD13 LEU A 28 4.491 18.176 7.433 1.00 52.22 H new ATOM 0 HD21 LEU A 28 3.741 15.414 8.667 1.00 72.24 H new ATOM 0 HD22 LEU A 28 2.712 16.119 7.398 1.00 72.24 H new ATOM 0 HD23 LEU A 28 3.396 14.490 7.186 1.00 72.24 H new ATOM 570 N ILE A 29 5.501 16.700 2.125 1.00 60.55 N ATOM 571 CA ILE A 29 5.615 16.191 0.754 1.00 71.25 C ATOM 572 C ILE A 29 7.090 16.229 0.292 1.00 13.24 C ATOM 573 O ILE A 29 7.622 15.192 -0.094 1.00 22.23 O ATOM 574 CB ILE A 29 4.746 16.969 -0.288 1.00 2.25 C ATOM 575 CG1 ILE A 29 3.273 17.100 0.167 1.00 22.34 C ATOM 576 CG2 ILE A 29 4.827 16.336 -1.699 1.00 52.45 C ATOM 577 CD1 ILE A 29 2.367 17.884 -0.795 1.00 11.22 C ATOM 0 H ILE A 29 5.092 17.633 2.181 1.00 60.55 H new ATOM 0 HA ILE A 29 5.238 15.169 0.790 1.00 71.25 H new ATOM 0 HB ILE A 29 5.166 17.973 -0.348 1.00 2.25 H new ATOM 0 HG12 ILE A 29 2.859 16.101 0.300 1.00 22.34 H new ATOM 0 HG13 ILE A 29 3.251 17.587 1.142 1.00 22.34 H new ATOM 0 HG21 ILE A 29 4.209 16.908 -2.391 1.00 52.45 H new ATOM 0 HG22 ILE A 29 5.861 16.346 -2.043 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.468 15.308 -1.658 1.00 52.45 H new ATOM 0 HD11 ILE A 29 1.355 17.923 -0.392 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.750 18.898 -0.911 1.00 11.22 H new ATOM 0 HD13 ILE A 29 2.352 17.389 -1.766 1.00 11.22 H new ATOM 589 N GLN A 30 7.731 17.410 0.365 1.00 32.25 N ATOM 590 CA GLN A 30 9.107 17.620 -0.095 1.00 61.21 C ATOM 591 C GLN A 30 10.170 16.967 0.807 1.00 51.51 C ATOM 592 O GLN A 30 11.244 16.640 0.308 1.00 1.33 O ATOM 593 CB GLN A 30 9.389 19.130 -0.279 1.00 10.35 C ATOM 594 CG GLN A 30 8.453 19.911 -1.232 1.00 51.13 C ATOM 595 CD GLN A 30 8.086 19.195 -2.534 1.00 55.11 C ATOM 596 OE1 GLN A 30 8.960 18.751 -3.273 1.00 12.32 O ATOM 597 NE2 GLN A 30 6.788 19.104 -2.836 1.00 72.51 N ATOM 0 H GLN A 30 7.300 18.251 0.750 1.00 32.25 H new ATOM 0 HA GLN A 30 9.188 17.116 -1.058 1.00 61.21 H new ATOM 0 HB2 GLN A 30 9.345 19.604 0.702 1.00 10.35 H new ATOM 0 HB3 GLN A 30 10.411 19.242 -0.642 1.00 10.35 H new ATOM 0 HG2 GLN A 30 7.533 20.146 -0.696 1.00 51.13 H new ATOM 0 HG3 GLN A 30 8.928 20.860 -1.482 1.00 51.13 H new ATOM 0 HE21 GLN A 30 6.088 19.484 -2.199 1.00 72.51 H new ATOM 0 HE22 GLN A 30 6.497 18.654 -3.704 1.00 72.51 H new ATOM 606 N LYS A 31 9.855 16.761 2.097 1.00 43.00 N ATOM 607 CA LYS A 31 10.686 16.000 3.031 1.00 3.12 C ATOM 608 C LYS A 31 10.459 14.484 2.881 1.00 74.44 C ATOM 609 O LYS A 31 11.416 13.728 3.024 1.00 12.13 O ATOM 610 CB LYS A 31 10.422 16.477 4.479 1.00 33.32 C ATOM 611 CG LYS A 31 10.925 17.915 4.736 1.00 45.12 C ATOM 612 CD LYS A 31 10.343 18.594 5.989 1.00 12.15 C ATOM 613 CE LYS A 31 10.829 18.023 7.324 1.00 65.13 C ATOM 614 NZ LYS A 31 10.264 18.789 8.451 1.00 3.44 N1+ ATOM 0 H LYS A 31 9.002 17.126 2.521 1.00 43.00 H new ATOM 0 HA LYS A 31 11.734 16.185 2.794 1.00 3.12 H new ATOM 0 HB2 LYS A 31 9.352 16.429 4.683 1.00 33.32 H new ATOM 0 HB3 LYS A 31 10.910 15.796 5.176 1.00 33.32 H new ATOM 0 HG2 LYS A 31 12.011 17.893 4.824 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.688 18.528 3.866 1.00 45.12 H new ATOM 0 HD2 LYS A 31 10.589 19.655 5.955 1.00 12.15 H new ATOM 0 HD3 LYS A 31 9.256 18.517 5.953 1.00 12.15 H new ATOM 0 HE2 LYS A 31 10.537 16.976 7.406 1.00 65.13 H new ATOM 0 HE3 LYS A 31 11.918 18.055 7.365 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 10.604 18.388 9.348 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 10.563 19.782 8.380 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 9.226 18.737 8.420 1.00 3.44 H new ATOM 628 N GLY A 32 9.216 14.070 2.582 1.00 50.40 N ATOM 629 CA GLY A 32 8.810 12.665 2.521 1.00 15.11 C ATOM 630 C GLY A 32 9.183 11.968 1.208 1.00 24.21 C ATOM 631 O GLY A 32 9.264 10.740 1.199 1.00 34.34 O ATOM 0 H GLY A 32 8.456 14.717 2.373 1.00 50.40 H new ATOM 0 HA2 GLY A 32 9.270 12.127 3.350 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.731 12.602 2.661 1.00 15.11 H new ATOM 635 N LYS A 33 9.421 12.718 0.115 1.00 12.04 N ATOM 636 CA LYS A 33 9.810 12.170 -1.191 1.00 4.24 C ATOM 637 C LYS A 33 11.233 11.567 -1.176 1.00 31.01 C ATOM 638 O LYS A 33 11.449 10.548 -1.832 1.00 75.03 O ATOM 639 CB LYS A 33 9.619 13.244 -2.292 1.00 50.23 C ATOM 640 CG LYS A 33 10.709 14.329 -2.329 1.00 63.12 C ATOM 641 CD LYS A 33 10.446 15.477 -3.309 1.00 33.54 C ATOM 642 CE LYS A 33 11.599 16.493 -3.285 1.00 3.24 C ATOM 643 NZ LYS A 33 11.388 17.581 -4.248 1.00 40.25 N1+ ATOM 0 H LYS A 33 9.346 13.735 0.118 1.00 12.04 H new ATOM 0 HA LYS A 33 9.151 11.334 -1.424 1.00 4.24 H new ATOM 0 HB2 LYS A 33 9.586 12.748 -3.262 1.00 50.23 H new ATOM 0 HB3 LYS A 33 8.652 13.725 -2.147 1.00 50.23 H new ATOM 0 HG2 LYS A 33 10.821 14.745 -1.328 1.00 63.12 H new ATOM 0 HG3 LYS A 33 11.658 13.860 -2.588 1.00 63.12 H new ATOM 0 HD2 LYS A 33 10.327 15.080 -4.317 1.00 33.54 H new ATOM 0 HD3 LYS A 33 9.512 15.975 -3.050 1.00 33.54 H new ATOM 0 HE2 LYS A 33 11.696 16.909 -2.282 1.00 3.24 H new ATOM 0 HE3 LYS A 33 12.536 15.984 -3.511 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 12.187 18.245 -4.202 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 11.321 17.187 -5.208 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 10.507 18.083 -4.017 1.00 40.25 H new ATOM 657 N ASP A 34 12.160 12.190 -0.420 1.00 62.15 N ATOM 658 CA ASP A 34 13.543 11.735 -0.234 1.00 21.33 C ATOM 659 C ASP A 34 13.698 10.631 0.821 1.00 71.54 C ATOM 660 O ASP A 34 14.665 9.874 0.727 1.00 72.31 O ATOM 661 CB ASP A 34 14.550 12.868 0.071 1.00 41.55 C ATOM 662 CG ASP A 34 14.739 13.889 -1.053 1.00 64.03 C ATOM 663 OD1 ASP A 34 13.765 14.602 -1.375 1.00 3.04 O ATOM 664 OD2 ASP A 34 15.890 13.979 -1.536 1.00 22.15 O1- ATOM 0 H ASP A 34 11.955 13.049 0.091 1.00 62.15 H new ATOM 0 HA ASP A 34 13.788 11.318 -1.211 1.00 21.33 H new ATOM 0 HB2 ASP A 34 14.221 13.394 0.967 1.00 41.55 H new ATOM 0 HB3 ASP A 34 15.517 12.421 0.301 1.00 41.55 H new ATOM 669 N ILE A 35 12.779 10.546 1.801 1.00 31.14 N ATOM 670 CA ILE A 35 12.816 9.506 2.831 1.00 55.24 C ATOM 671 C ILE A 35 12.326 8.175 2.235 1.00 62.22 C ATOM 672 O ILE A 35 11.121 7.977 2.071 1.00 12.45 O ATOM 673 CB ILE A 35 11.994 9.879 4.102 1.00 1.50 C ATOM 674 CG1 ILE A 35 12.554 11.149 4.790 1.00 2.13 C ATOM 675 CG2 ILE A 35 11.855 8.728 5.128 1.00 34.10 C ATOM 676 CD1 ILE A 35 13.816 10.941 5.639 1.00 60.03 C ATOM 0 H ILE A 35 11.997 11.194 1.896 1.00 31.14 H new ATOM 0 HA ILE A 35 13.851 9.406 3.158 1.00 55.24 H new ATOM 0 HB ILE A 35 10.988 10.084 3.735 1.00 1.50 H new ATOM 0 HG12 ILE A 35 12.773 11.890 4.022 1.00 2.13 H new ATOM 0 HG13 ILE A 35 11.775 11.570 5.426 1.00 2.13 H new ATOM 0 HG21 ILE A 35 11.270 9.070 5.982 1.00 34.10 H new ATOM 0 HG22 ILE A 35 11.353 7.882 4.660 1.00 34.10 H new ATOM 0 HG23 ILE A 35 12.845 8.421 5.466 1.00 34.10 H new ATOM 0 HD11 ILE A 35 14.123 11.892 6.074 1.00 60.03 H new ATOM 0 HD12 ILE A 35 13.605 10.228 6.436 1.00 60.03 H new ATOM 0 HD13 ILE A 35 14.618 10.554 5.010 1.00 60.03 H new ATOM 688 N LYS A 36 13.304 7.317 1.898 1.00 74.41 N ATOM 689 CA LYS A 36 13.131 5.973 1.353 1.00 33.25 C ATOM 690 C LYS A 36 12.381 5.066 2.340 1.00 45.41 C ATOM 691 O LYS A 36 12.959 4.580 3.314 1.00 40.12 O ATOM 692 CB LYS A 36 14.501 5.404 0.914 1.00 5.55 C ATOM 693 CG LYS A 36 15.618 5.397 1.984 1.00 63.32 C ATOM 694 CD LYS A 36 16.775 6.352 1.657 1.00 41.44 C ATOM 695 CE LYS A 36 17.852 6.362 2.750 1.00 21.10 C ATOM 696 NZ LYS A 36 18.976 7.244 2.388 1.00 52.24 N1+ ATOM 0 H LYS A 36 14.288 7.563 2.007 1.00 74.41 H new ATOM 0 HA LYS A 36 12.504 6.019 0.463 1.00 33.25 H new ATOM 0 HB2 LYS A 36 14.351 4.381 0.570 1.00 5.55 H new ATOM 0 HB3 LYS A 36 14.852 5.980 0.058 1.00 5.55 H new ATOM 0 HG2 LYS A 36 15.190 5.672 2.948 1.00 63.32 H new ATOM 0 HG3 LYS A 36 16.009 4.385 2.085 1.00 63.32 H new ATOM 0 HD2 LYS A 36 17.226 6.060 0.709 1.00 41.44 H new ATOM 0 HD3 LYS A 36 16.384 7.361 1.527 1.00 41.44 H new ATOM 0 HE2 LYS A 36 17.415 6.695 3.691 1.00 21.10 H new ATOM 0 HE3 LYS A 36 18.220 5.348 2.910 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 19.687 7.229 3.147 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 19.408 6.911 1.502 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 18.627 8.215 2.259 1.00 52.24 H new ATOM 710 N GLY A 37 11.077 4.907 2.079 1.00 23.34 N ATOM 711 CA GLY A 37 10.146 4.206 2.948 1.00 45.33 C ATOM 712 C GLY A 37 10.344 2.687 2.900 1.00 41.21 C ATOM 713 O GLY A 37 11.105 2.150 2.094 1.00 4.23 O ATOM 0 H GLY A 37 10.638 5.274 1.235 1.00 23.34 H new ATOM 0 HA2 GLY A 37 10.274 4.556 3.972 1.00 45.33 H new ATOM 0 HA3 GLY A 37 9.125 4.447 2.654 1.00 45.33 H new ATOM 717 N VAL A 38 9.622 2.003 3.792 1.00 63.12 N ATOM 718 CA VAL A 38 9.555 0.550 3.882 1.00 63.14 C ATOM 719 C VAL A 38 8.090 0.166 4.123 1.00 60.44 C ATOM 720 O VAL A 38 7.391 0.867 4.850 1.00 44.23 O ATOM 721 CB VAL A 38 10.427 0.001 5.056 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.298 -1.520 5.290 1.00 54.02 C ATOM 723 CG2 VAL A 38 11.916 0.354 4.878 1.00 31.32 C ATOM 0 H VAL A 38 9.048 2.468 4.496 1.00 63.12 H new ATOM 0 HA VAL A 38 9.938 0.119 2.957 1.00 63.14 H new ATOM 0 HB VAL A 38 10.026 0.500 5.939 1.00 70.34 H new ATOM 0 HG11 VAL A 38 10.937 -1.815 6.123 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.262 -1.766 5.522 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.605 -2.054 4.390 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.487 -0.046 5.716 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.284 -0.079 3.948 1.00 31.32 H new ATOM 0 HG23 VAL A 38 12.032 1.437 4.844 1.00 31.32 H new ATOM 733 N SER A 39 7.673 -0.958 3.531 1.00 2.42 N ATOM 734 CA SER A 39 6.409 -1.631 3.797 1.00 44.24 C ATOM 735 C SER A 39 6.704 -3.014 4.399 1.00 54.13 C ATOM 736 O SER A 39 7.716 -3.625 4.061 1.00 2.40 O ATOM 737 CB SER A 39 5.593 -1.701 2.491 1.00 2.01 C ATOM 738 OG SER A 39 4.333 -2.318 2.683 1.00 13.42 O ATOM 0 H SER A 39 8.233 -1.438 2.827 1.00 2.42 H new ATOM 0 HA SER A 39 5.807 -1.083 4.521 1.00 44.24 H new ATOM 0 HB2 SER A 39 5.447 -0.694 2.101 1.00 2.01 H new ATOM 0 HB3 SER A 39 6.157 -2.255 1.741 1.00 2.01 H new ATOM 0 HG SER A 39 3.996 -2.102 3.577 1.00 13.42 H new ATOM 744 N GLU A 40 5.814 -3.479 5.284 1.00 10.33 N ATOM 745 CA GLU A 40 5.900 -4.781 5.934 1.00 32.53 C ATOM 746 C GLU A 40 4.484 -5.358 6.007 1.00 52.00 C ATOM 747 O GLU A 40 3.635 -4.813 6.707 1.00 5.23 O ATOM 748 CB GLU A 40 6.595 -4.640 7.305 1.00 74.12 C ATOM 749 CG GLU A 40 6.724 -5.957 8.095 1.00 23.34 C ATOM 750 CD GLU A 40 7.195 -5.704 9.526 1.00 35.54 C ATOM 751 OE1 GLU A 40 6.363 -5.899 10.438 1.00 3.21 O ATOM 752 OE2 GLU A 40 8.370 -5.306 9.686 1.00 73.21 O1- ATOM 0 H GLU A 40 4.996 -2.942 5.571 1.00 10.33 H new ATOM 0 HA GLU A 40 6.515 -5.481 5.369 1.00 32.53 H new ATOM 0 HB2 GLU A 40 7.591 -4.224 7.152 1.00 74.12 H new ATOM 0 HB3 GLU A 40 6.039 -3.922 7.908 1.00 74.12 H new ATOM 0 HG2 GLU A 40 5.762 -6.469 8.112 1.00 23.34 H new ATOM 0 HG3 GLU A 40 7.428 -6.619 7.590 1.00 23.34 H new ATOM 759 N ILE A 41 4.257 -6.437 5.252 1.00 61.23 N ATOM 760 CA ILE A 41 2.947 -7.052 5.070 1.00 42.43 C ATOM 761 C ILE A 41 2.962 -8.423 5.773 1.00 63.52 C ATOM 762 O ILE A 41 4.010 -9.070 5.812 1.00 75.40 O ATOM 763 CB ILE A 41 2.652 -7.277 3.557 1.00 2.44 C ATOM 764 CG1 ILE A 41 2.948 -6.031 2.683 1.00 52.20 C ATOM 765 CG2 ILE A 41 1.202 -7.756 3.321 1.00 14.43 C ATOM 766 CD1 ILE A 41 2.940 -6.312 1.171 1.00 12.11 C ATOM 0 H ILE A 41 4.999 -6.915 4.740 1.00 61.23 H new ATOM 0 HA ILE A 41 2.180 -6.398 5.486 1.00 42.43 H new ATOM 0 HB ILE A 41 3.339 -8.063 3.243 1.00 2.44 H new ATOM 0 HG12 ILE A 41 2.208 -5.261 2.903 1.00 52.20 H new ATOM 0 HG13 ILE A 41 3.921 -5.627 2.962 1.00 52.20 H new ATOM 0 HG21 ILE A 41 1.036 -7.901 2.254 1.00 14.43 H new ATOM 0 HG22 ILE A 41 1.040 -8.698 3.845 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.506 -7.007 3.698 1.00 14.43 H new ATOM 0 HD11 ILE A 41 3.155 -5.391 0.629 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.699 -7.058 0.935 1.00 12.11 H new ATOM 0 HD13 ILE A 41 1.960 -6.686 0.876 1.00 12.11 H new ATOM 778 N VAL A 42 1.809 -8.838 6.323 1.00 61.12 N ATOM 779 CA VAL A 42 1.640 -10.129 6.985 1.00 35.52 C ATOM 780 C VAL A 42 0.260 -10.702 6.610 1.00 4.05 C ATOM 781 O VAL A 42 -0.758 -10.259 7.143 1.00 65.04 O ATOM 782 CB VAL A 42 1.744 -10.034 8.540 1.00 31.23 C ATOM 783 CG1 VAL A 42 1.694 -11.422 9.210 1.00 33.13 C ATOM 784 CG2 VAL A 42 3.002 -9.288 9.022 1.00 72.01 C ATOM 0 H VAL A 42 0.960 -8.273 6.317 1.00 61.12 H new ATOM 0 HA VAL A 42 2.448 -10.778 6.646 1.00 35.52 H new ATOM 0 HB VAL A 42 0.871 -9.455 8.842 1.00 31.23 H new ATOM 0 HG11 VAL A 42 1.770 -11.307 10.291 1.00 33.13 H new ATOM 0 HG12 VAL A 42 0.752 -11.912 8.962 1.00 33.13 H new ATOM 0 HG13 VAL A 42 2.525 -12.030 8.851 1.00 33.13 H new ATOM 0 HG21 VAL A 42 3.012 -9.258 10.112 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.892 -9.807 8.665 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.994 -8.271 8.631 1.00 72.01 H new ATOM 794 N GLN A 43 0.258 -11.696 5.710 1.00 74.40 N ATOM 795 CA GLN A 43 -0.908 -12.515 5.382 1.00 30.22 C ATOM 796 C GLN A 43 -1.051 -13.655 6.406 1.00 35.33 C ATOM 797 O GLN A 43 -0.069 -14.342 6.689 1.00 41.12 O ATOM 798 CB GLN A 43 -0.749 -13.043 3.940 1.00 42.11 C ATOM 799 CG GLN A 43 -1.884 -13.976 3.463 1.00 34.04 C ATOM 800 CD GLN A 43 -1.749 -14.381 1.993 1.00 1.32 C ATOM 801 OE1 GLN A 43 -0.663 -14.336 1.418 1.00 41.31 O ATOM 802 NE2 GLN A 43 -2.855 -14.805 1.381 1.00 12.51 N ATOM 0 H GLN A 43 1.090 -11.955 5.179 1.00 74.40 H new ATOM 0 HA GLN A 43 -1.822 -11.923 5.432 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -0.688 -12.192 3.261 1.00 42.11 H new ATOM 0 HB3 GLN A 43 0.198 -13.578 3.866 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -1.893 -14.873 4.082 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -2.842 -13.478 3.610 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -3.740 -14.830 1.887 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -2.816 -15.105 0.407 1.00 12.51 H new ATOM 811 N ASN A 44 -2.278 -13.844 6.910 1.00 25.45 N ATOM 812 CA ASN A 44 -2.675 -14.902 7.842 1.00 44.42 C ATOM 813 C ASN A 44 -4.012 -15.477 7.355 1.00 53.04 C ATOM 814 O ASN A 44 -5.043 -15.279 8.000 1.00 61.10 O ATOM 815 CB ASN A 44 -2.768 -14.326 9.278 1.00 64.41 C ATOM 816 CG ASN A 44 -1.413 -14.087 9.945 1.00 15.53 C ATOM 817 OD1 ASN A 44 -0.573 -14.984 9.995 1.00 22.31 O ATOM 818 ND2 ASN A 44 -1.210 -12.889 10.494 1.00 74.22 N ATOM 0 H ASN A 44 -3.057 -13.232 6.665 1.00 25.45 H new ATOM 0 HA ASN A 44 -1.938 -15.705 7.872 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.316 -13.384 9.245 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -3.349 -15.011 9.896 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -0.333 -12.691 10.977 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -1.931 -12.170 10.431 1.00 74.22 H new ATOM 825 N GLY A 45 -3.962 -16.177 6.207 1.00 55.11 N ATOM 826 CA GLY A 45 -5.119 -16.807 5.574 1.00 22.41 C ATOM 827 C GLY A 45 -6.048 -15.723 5.021 1.00 72.11 C ATOM 828 O GLY A 45 -5.742 -15.107 4.000 1.00 3.32 O ATOM 0 H GLY A 45 -3.095 -16.319 5.689 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -4.793 -17.467 4.770 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -5.652 -17.424 6.297 1.00 22.41 H new ATOM 832 N LYS A 46 -7.184 -15.516 5.708 1.00 5.11 N ATOM 833 CA LYS A 46 -8.145 -14.456 5.411 1.00 20.40 C ATOM 834 C LYS A 46 -7.682 -13.080 5.915 1.00 71.33 C ATOM 835 O LYS A 46 -7.927 -12.096 5.217 1.00 41.04 O ATOM 836 CB LYS A 46 -9.524 -14.813 6.001 1.00 51.11 C ATOM 837 CG LYS A 46 -10.155 -16.129 5.504 1.00 71.21 C ATOM 838 CD LYS A 46 -10.479 -16.177 3.996 1.00 71.33 C ATOM 839 CE LYS A 46 -9.376 -16.762 3.094 1.00 20.20 C ATOM 840 NZ LYS A 46 -9.097 -18.173 3.411 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.460 -16.096 6.500 1.00 5.11 H new ATOM 0 HA LYS A 46 -8.222 -14.383 4.326 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.430 -14.866 7.086 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.213 -13.998 5.780 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.477 -16.949 5.739 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -11.075 -16.305 6.062 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -11.386 -16.765 3.857 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.700 -15.164 3.658 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -9.678 -16.678 2.050 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -8.464 -16.177 3.210 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -8.578 -18.610 2.623 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -8.523 -18.227 4.276 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -9.993 -18.680 3.558 1.00 73.11 H new ATOM 854 N HIS A 47 -7.034 -13.016 7.094 1.00 31.14 N ATOM 855 CA HIS A 47 -6.533 -11.757 7.656 1.00 24.30 C ATOM 856 C HIS A 47 -5.272 -11.269 6.928 1.00 32.21 C ATOM 857 O HIS A 47 -4.477 -12.071 6.440 1.00 44.23 O ATOM 858 CB HIS A 47 -6.325 -11.860 9.182 1.00 54.34 C ATOM 859 CG HIS A 47 -6.121 -10.512 9.845 1.00 0.32 C ATOM 860 ND1 HIS A 47 -7.124 -9.561 9.926 1.00 54.25 N ATOM 861 CD2 HIS A 47 -5.012 -9.922 10.414 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.602 -8.475 10.500 1.00 22.13 C ATOM 863 NE2 HIS A 47 -5.321 -8.620 10.821 1.00 23.21 N ATOM 0 H HIS A 47 -6.846 -13.832 7.676 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.299 -11.000 7.492 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.190 -12.351 9.629 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.460 -12.492 9.383 1.00 54.34 H new ATOM 0 HD1 HIS A 47 -8.086 -9.670 9.606 1.00 54.25 H new ATOM 0 HD2 HIS A 47 -4.048 -10.395 10.528 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -7.163 -7.571 10.685 1.00 22.13 H new ATOM 871 N PHE A 48 -5.141 -9.941 6.875 1.00 74.42 N ATOM 872 CA PHE A 48 -4.079 -9.195 6.229 1.00 52.41 C ATOM 873 C PHE A 48 -3.719 -7.995 7.102 1.00 65.41 C ATOM 874 O PHE A 48 -4.534 -7.083 7.247 1.00 43.24 O ATOM 875 CB PHE A 48 -4.544 -8.710 4.845 1.00 3.43 C ATOM 876 CG PHE A 48 -4.273 -9.649 3.693 1.00 54.13 C ATOM 877 CD1 PHE A 48 -5.174 -10.688 3.383 1.00 12.33 C ATOM 878 CD2 PHE A 48 -3.048 -9.569 3.006 1.00 73.22 C ATOM 879 CE1 PHE A 48 -4.886 -11.566 2.347 1.00 31.21 C ATOM 880 CE2 PHE A 48 -2.786 -10.445 1.967 1.00 75.23 C ATOM 881 CZ PHE A 48 -3.702 -11.432 1.633 1.00 72.20 C ATOM 0 H PHE A 48 -5.825 -9.325 7.315 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.206 -9.835 6.100 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.616 -8.520 4.889 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -4.060 -7.757 4.634 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -6.086 -10.801 3.950 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -2.315 -8.827 3.288 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -5.582 -12.353 2.096 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -1.863 -10.360 1.413 1.00 75.23 H new ATOM 0 HZ PHE A 48 -3.493 -12.101 0.812 1.00 72.20 H new ATOM 891 N LYS A 49 -2.481 -8.000 7.608 1.00 64.51 N ATOM 892 CA LYS A 49 -1.846 -6.817 8.163 1.00 74.12 C ATOM 893 C LYS A 49 -1.019 -6.169 7.044 1.00 23.12 C ATOM 894 O LYS A 49 -0.314 -6.867 6.317 1.00 32.45 O ATOM 895 CB LYS A 49 -0.947 -7.204 9.363 1.00 31.13 C ATOM 896 CG LYS A 49 -1.190 -6.301 10.586 1.00 65.33 C ATOM 897 CD LYS A 49 -0.035 -6.246 11.595 1.00 22.54 C ATOM 898 CE LYS A 49 1.136 -5.383 11.101 1.00 0.54 C ATOM 899 NZ LYS A 49 2.159 -5.206 12.141 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.894 -8.834 7.641 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.593 -6.114 8.531 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -1.136 -8.242 9.637 1.00 31.13 H new ATOM 0 HB3 LYS A 49 0.100 -7.138 9.067 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -1.395 -5.289 10.236 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -2.086 -6.647 11.101 1.00 65.33 H new ATOM 0 HD2 LYS A 49 -0.402 -5.848 12.541 1.00 22.54 H new ATOM 0 HD3 LYS A 49 0.321 -7.258 11.791 1.00 22.54 H new ATOM 0 HE2 LYS A 49 1.586 -5.848 10.224 1.00 0.54 H new ATOM 0 HE3 LYS A 49 0.763 -4.408 10.788 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 3.101 -5.179 11.701 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 1.988 -4.314 12.648 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 2.113 -5.999 12.812 1.00 11.34 H new ATOM 913 N PHE A 50 -1.106 -4.840 6.959 1.00 3.40 N ATOM 914 CA PHE A 50 -0.239 -3.985 6.162 1.00 12.22 C ATOM 915 C PHE A 50 0.383 -2.951 7.101 1.00 40.53 C ATOM 916 O PHE A 50 -0.302 -2.435 7.982 1.00 2.33 O ATOM 917 CB PHE A 50 -1.040 -3.307 5.029 1.00 4.42 C ATOM 918 CG PHE A 50 -1.064 -4.064 3.715 1.00 74.03 C ATOM 919 CD1 PHE A 50 -1.901 -5.188 3.551 1.00 50.23 C ATOM 920 CD2 PHE A 50 -0.152 -3.733 2.690 1.00 61.21 C ATOM 921 CE1 PHE A 50 -1.866 -5.910 2.367 1.00 41.23 C ATOM 922 CE2 PHE A 50 -0.139 -4.464 1.510 1.00 2.54 C ATOM 923 CZ PHE A 50 -0.994 -5.548 1.349 1.00 33.23 C ATOM 0 H PHE A 50 -1.815 -4.312 7.468 1.00 3.40 H new ATOM 0 HA PHE A 50 0.547 -4.571 5.686 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -2.066 -3.164 5.367 1.00 4.42 H new ATOM 0 HB3 PHE A 50 -0.621 -2.316 4.852 1.00 4.42 H new ATOM 0 HD1 PHE A 50 -2.568 -5.486 4.346 1.00 50.23 H new ATOM 0 HD2 PHE A 50 0.536 -2.911 2.824 1.00 61.21 H new ATOM 0 HE1 PHE A 50 -2.521 -6.759 2.236 1.00 41.23 H new ATOM 0 HE2 PHE A 50 0.538 -4.190 0.714 1.00 2.54 H new ATOM 0 HZ PHE A 50 -0.980 -6.111 0.428 1.00 33.23 H new ATOM 933 N THR A 51 1.669 -2.669 6.884 1.00 53.41 N ATOM 934 CA THR A 51 2.424 -1.630 7.573 1.00 52.03 C ATOM 935 C THR A 51 3.194 -0.848 6.505 1.00 73.11 C ATOM 936 O THR A 51 3.662 -1.458 5.542 1.00 24.43 O ATOM 937 CB THR A 51 3.466 -2.213 8.569 1.00 20.44 C ATOM 938 OG1 THR A 51 2.854 -3.164 9.416 1.00 61.14 O ATOM 939 CG2 THR A 51 4.169 -1.173 9.461 1.00 52.31 C ATOM 0 H THR A 51 2.229 -3.177 6.200 1.00 53.41 H new ATOM 0 HA THR A 51 1.725 -1.014 8.138 1.00 52.03 H new ATOM 0 HB THR A 51 4.231 -2.659 7.933 1.00 20.44 H new ATOM 0 HG1 THR A 51 3.520 -3.525 10.037 1.00 61.14 H new ATOM 0 HG21 THR A 51 4.876 -1.677 10.120 1.00 52.31 H new ATOM 0 HG22 THR A 51 4.703 -0.458 8.835 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.426 -0.646 10.060 1.00 52.31 H new ATOM 947 N ILE A 52 3.303 0.475 6.676 1.00 25.40 N ATOM 948 CA ILE A 52 4.115 1.343 5.825 1.00 53.13 C ATOM 949 C ILE A 52 4.775 2.381 6.750 1.00 32.23 C ATOM 950 O ILE A 52 4.143 2.832 7.699 1.00 61.24 O ATOM 951 CB ILE A 52 3.288 2.076 4.715 1.00 31.34 C ATOM 952 CG1 ILE A 52 2.404 1.123 3.869 1.00 71.24 C ATOM 953 CG2 ILE A 52 4.176 2.933 3.785 1.00 40.02 C ATOM 954 CD1 ILE A 52 1.349 1.843 3.015 1.00 52.10 C ATOM 0 H ILE A 52 2.821 0.977 7.422 1.00 25.40 H new ATOM 0 HA ILE A 52 4.845 0.731 5.296 1.00 53.13 H new ATOM 0 HB ILE A 52 2.620 2.738 5.265 1.00 31.34 H new ATOM 0 HG12 ILE A 52 3.046 0.534 3.214 1.00 71.24 H new ATOM 0 HG13 ILE A 52 1.901 0.423 4.536 1.00 71.24 H new ATOM 0 HG21 ILE A 52 3.553 3.419 3.034 1.00 40.02 H new ATOM 0 HG22 ILE A 52 4.694 3.691 4.373 1.00 40.02 H new ATOM 0 HG23 ILE A 52 4.908 2.294 3.291 1.00 40.02 H new ATOM 0 HD11 ILE A 52 0.772 1.108 2.453 1.00 52.10 H new ATOM 0 HD12 ILE A 52 0.681 2.410 3.663 1.00 52.10 H new ATOM 0 HD13 ILE A 52 1.844 2.522 2.321 1.00 52.10 H new ATOM 966 N THR A 53 6.034 2.743 6.486 1.00 2.25 N ATOM 967 CA THR A 53 6.756 3.774 7.231 1.00 34.41 C ATOM 968 C THR A 53 7.523 4.637 6.224 1.00 12.24 C ATOM 969 O THR A 53 8.266 4.087 5.416 1.00 50.34 O ATOM 970 CB THR A 53 7.764 3.164 8.240 1.00 3.33 C ATOM 971 OG1 THR A 53 7.061 2.367 9.173 1.00 41.31 O ATOM 972 CG2 THR A 53 8.579 4.197 9.042 1.00 74.21 C ATOM 0 H THR A 53 6.586 2.322 5.739 1.00 2.25 H new ATOM 0 HA THR A 53 6.034 4.362 7.798 1.00 34.41 H new ATOM 0 HB THR A 53 8.469 2.593 7.636 1.00 3.33 H new ATOM 0 HG1 THR A 53 7.693 1.977 9.812 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.256 3.679 9.721 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.157 4.816 8.356 1.00 74.21 H new ATOM 0 HG23 THR A 53 7.901 4.828 9.617 1.00 74.21 H new ATOM 980 N ALA A 54 7.318 5.961 6.286 1.00 42.32 N ATOM 981 CA ALA A 54 7.926 6.942 5.386 1.00 33.40 C ATOM 982 C ALA A 54 7.744 8.354 5.954 1.00 4.42 C ATOM 983 O ALA A 54 6.786 8.597 6.688 1.00 71.34 O ATOM 984 CB ALA A 54 7.293 6.844 3.984 1.00 22.53 C ATOM 0 H ALA A 54 6.708 6.387 6.984 1.00 42.32 H new ATOM 0 HA ALA A 54 8.992 6.731 5.300 1.00 33.40 H new ATOM 0 HB1 ALA A 54 7.754 7.579 3.324 1.00 22.53 H new ATOM 0 HB2 ALA A 54 7.454 5.844 3.581 1.00 22.53 H new ATOM 0 HB3 ALA A 54 6.223 7.040 4.053 1.00 22.53 H new ATOM 990 N GLY A 55 8.657 9.266 5.579 1.00 31.11 N ATOM 991 CA GLY A 55 8.666 10.664 6.009 1.00 55.23 C ATOM 992 C GLY A 55 9.185 10.769 7.446 1.00 64.53 C ATOM 993 O GLY A 55 10.367 11.033 7.661 1.00 72.42 O ATOM 0 H GLY A 55 9.428 9.039 4.951 1.00 31.11 H new ATOM 0 HA2 GLY A 55 9.296 11.254 5.343 1.00 55.23 H new ATOM 0 HA3 GLY A 55 7.660 11.078 5.946 1.00 55.23 H new ATOM 997 N SER A 56 8.279 10.568 8.415 1.00 20.05 N ATOM 998 CA SER A 56 8.538 10.599 9.856 1.00 64.53 C ATOM 999 C SER A 56 7.386 9.943 10.649 1.00 74.02 C ATOM 1000 O SER A 56 7.195 10.290 11.815 1.00 44.30 O ATOM 1001 CB SER A 56 8.852 12.048 10.308 1.00 55.44 C ATOM 1002 OG SER A 56 7.719 12.891 10.216 1.00 64.35 O ATOM 0 H SER A 56 7.301 10.370 8.201 1.00 20.05 H new ATOM 0 HA SER A 56 9.421 9.999 10.076 1.00 64.53 H new ATOM 0 HB2 SER A 56 9.212 12.036 11.337 1.00 55.44 H new ATOM 0 HB3 SER A 56 9.656 12.453 9.693 1.00 55.44 H new ATOM 0 HG SER A 56 7.958 13.794 10.511 1.00 64.35 H new ATOM 1008 N LYS A 57 6.628 9.032 10.013 1.00 63.33 N ATOM 1009 CA LYS A 57 5.396 8.456 10.557 1.00 55.45 C ATOM 1010 C LYS A 57 5.240 6.992 10.127 1.00 41.21 C ATOM 1011 O LYS A 57 5.731 6.607 9.064 1.00 52.43 O ATOM 1012 CB LYS A 57 4.188 9.338 10.149 1.00 2.22 C ATOM 1013 CG LYS A 57 3.937 9.491 8.630 1.00 75.24 C ATOM 1014 CD LYS A 57 2.959 8.471 8.010 1.00 51.34 C ATOM 1015 CE LYS A 57 1.484 8.879 8.130 1.00 72.22 C ATOM 1016 NZ LYS A 57 1.208 10.088 7.341 1.00 60.33 N1+ ATOM 0 H LYS A 57 6.864 8.672 9.088 1.00 63.33 H new ATOM 0 HA LYS A 57 5.443 8.447 11.646 1.00 55.45 H new ATOM 0 HB2 LYS A 57 3.290 8.921 10.605 1.00 2.22 H new ATOM 0 HB3 LYS A 57 4.330 10.331 10.575 1.00 2.22 H new ATOM 0 HG2 LYS A 57 3.555 10.494 8.442 1.00 75.24 H new ATOM 0 HG3 LYS A 57 4.893 9.412 8.112 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.206 8.338 6.957 1.00 51.34 H new ATOM 0 HD3 LYS A 57 3.100 7.505 8.494 1.00 51.34 H new ATOM 0 HE2 LYS A 57 0.848 8.063 7.787 1.00 72.22 H new ATOM 0 HE3 LYS A 57 1.236 9.058 9.176 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.187 10.156 7.155 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 1.520 10.927 7.871 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 1.722 10.038 6.438 1.00 60.33 H new ATOM 1030 N VAL A 58 4.524 6.227 10.968 1.00 55.31 N ATOM 1031 CA VAL A 58 4.194 4.822 10.747 1.00 42.03 C ATOM 1032 C VAL A 58 2.677 4.693 10.522 1.00 54.23 C ATOM 1033 O VAL A 58 1.880 5.218 11.302 1.00 21.21 O ATOM 1034 CB VAL A 58 4.580 3.938 11.971 1.00 0.10 C ATOM 1035 CG1 VAL A 58 4.202 2.447 11.805 1.00 44.04 C ATOM 1036 CG2 VAL A 58 6.081 4.048 12.299 1.00 42.14 C ATOM 0 H VAL A 58 4.150 6.587 11.846 1.00 55.31 H new ATOM 0 HA VAL A 58 4.757 4.480 9.878 1.00 42.03 H new ATOM 0 HB VAL A 58 3.992 4.334 12.799 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.501 1.894 12.696 1.00 44.04 H new ATOM 0 HG12 VAL A 58 3.124 2.358 11.668 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.714 2.037 10.934 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.313 3.418 13.158 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.666 3.720 11.440 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.328 5.084 12.532 1.00 42.14 H new ATOM 1046 N ILE A 59 2.335 3.955 9.464 1.00 41.03 N ATOM 1047 CA ILE A 59 1.001 3.542 9.052 1.00 34.25 C ATOM 1048 C ILE A 59 0.821 2.061 9.412 1.00 14.03 C ATOM 1049 O ILE A 59 1.754 1.280 9.217 1.00 51.40 O ATOM 1050 CB ILE A 59 0.895 3.680 7.502 1.00 23.52 C ATOM 1051 CG1 ILE A 59 0.882 5.161 7.063 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -0.215 2.873 6.799 1.00 24.12 C ATOM 1053 CD1 ILE A 59 1.779 5.443 5.851 1.00 72.32 C ATOM 0 H ILE A 59 3.047 3.604 8.823 1.00 41.03 H new ATOM 0 HA ILE A 59 0.246 4.155 9.544 1.00 34.25 H new ATOM 0 HB ILE A 59 1.809 3.200 7.151 1.00 23.52 H new ATOM 0 HG12 ILE A 59 -0.141 5.453 6.825 1.00 33.02 H new ATOM 0 HG13 ILE A 59 1.205 5.783 7.898 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -0.177 3.060 5.726 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -0.067 1.810 6.988 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -1.187 3.178 7.186 1.00 24.12 H new ATOM 0 HD11 ILE A 59 1.723 6.501 5.595 1.00 72.32 H new ATOM 0 HD12 ILE A 59 2.809 5.182 6.092 1.00 72.32 H new ATOM 0 HD13 ILE A 59 1.443 4.847 5.003 1.00 72.32 H new ATOM 1065 N GLN A 60 -0.385 1.699 9.869 1.00 35.51 N ATOM 1066 CA GLN A 60 -0.834 0.315 9.995 1.00 42.05 C ATOM 1067 C GLN A 60 -2.301 0.216 9.560 1.00 42.53 C ATOM 1068 O GLN A 60 -3.133 0.999 10.022 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.618 -0.243 11.421 1.00 21.23 C ATOM 1070 CG GLN A 60 0.853 -0.574 11.742 1.00 52.05 C ATOM 1071 CD GLN A 60 1.002 -1.288 13.086 1.00 73.31 C ATOM 1072 OE1 GLN A 60 1.066 -2.515 13.142 1.00 23.35 O ATOM 1073 NE2 GLN A 60 1.061 -0.520 14.176 1.00 13.55 N ATOM 0 H GLN A 60 -1.086 2.377 10.166 1.00 35.51 H new ATOM 0 HA GLN A 60 -0.227 -0.307 9.337 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -0.984 0.485 12.145 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -1.219 -1.144 11.544 1.00 21.23 H new ATOM 0 HG2 GLN A 60 1.264 -1.202 10.951 1.00 52.05 H new ATOM 0 HG3 GLN A 60 1.437 0.346 11.754 1.00 52.05 H new ATOM 0 HE21 GLN A 60 1.004 0.495 14.089 1.00 13.55 H new ATOM 0 HE22 GLN A 60 1.163 -0.948 15.096 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.573 -0.766 8.691 1.00 23.42 N ATOM 1083 CA ASN A 61 -3.897 -1.131 8.188 1.00 41.34 C ATOM 1084 C ASN A 61 -4.116 -2.610 8.515 1.00 52.20 C ATOM 1085 O ASN A 61 -3.200 -3.416 8.351 1.00 25.44 O ATOM 1086 CB ASN A 61 -3.985 -0.923 6.657 1.00 25.31 C ATOM 1087 CG ASN A 61 -3.879 0.534 6.201 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -2.861 1.185 6.410 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -4.918 1.045 5.537 1.00 11.11 N ATOM 0 H ASN A 61 -1.836 -1.355 8.302 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.657 -0.503 8.653 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -3.191 -1.497 6.180 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -4.931 -1.332 6.302 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -4.879 2.002 5.187 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -5.751 0.478 5.379 1.00 11.11 H new ATOM 1096 N GLU A 62 -5.334 -2.938 8.957 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.737 -4.287 9.332 1.00 21.24 C ATOM 1098 C GLU A 62 -7.109 -4.564 8.722 1.00 44.03 C ATOM 1099 O GLU A 62 -8.041 -3.786 8.933 1.00 14.33 O ATOM 1100 CB GLU A 62 -5.738 -4.416 10.871 1.00 43.32 C ATOM 1101 CG GLU A 62 -4.310 -4.535 11.438 1.00 34.42 C ATOM 1102 CD GLU A 62 -4.247 -4.500 12.962 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -3.620 -5.421 13.529 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -4.791 -3.528 13.531 1.00 11.32 O1- ATOM 0 H GLU A 62 -6.082 -2.252 9.065 1.00 40.14 H new ATOM 0 HA GLU A 62 -5.037 -5.030 8.950 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -6.231 -3.548 11.308 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -6.318 -5.292 11.162 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -3.866 -5.467 11.087 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -3.702 -3.722 11.040 1.00 34.42 H new ATOM 1111 N PHE A 63 -7.194 -5.669 7.970 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.412 -6.113 7.309 1.00 33.44 C ATOM 1113 C PHE A 63 -8.418 -7.625 7.121 1.00 12.32 C ATOM 1114 O PHE A 63 -7.362 -8.246 7.080 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.626 -5.358 5.976 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.572 -5.555 4.897 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -6.474 -4.672 4.814 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -7.614 -6.677 4.039 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -5.504 -4.861 3.841 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -6.630 -6.850 3.075 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.588 -5.939 2.969 1.00 52.40 C ATOM 0 H PHE A 63 -6.399 -6.286 7.806 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.256 -5.871 7.954 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.591 -5.658 5.567 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.691 -4.292 6.196 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -6.389 -3.849 5.508 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -8.411 -7.400 4.133 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -4.680 -4.167 3.761 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -6.675 -7.696 2.405 1.00 73.04 H new ATOM 0 HZ PHE A 63 -4.838 -6.069 2.203 1.00 52.40 H new ATOM 1131 N THR A 64 -9.629 -8.171 6.966 1.00 34.14 N ATOM 1132 CA THR A 64 -9.869 -9.562 6.623 1.00 3.13 C ATOM 1133 C THR A 64 -10.688 -9.573 5.327 1.00 74.33 C ATOM 1134 O THR A 64 -11.697 -8.872 5.245 1.00 14.33 O ATOM 1135 CB THR A 64 -10.647 -10.290 7.745 1.00 62.34 C ATOM 1136 OG1 THR A 64 -9.929 -10.192 8.961 1.00 32.13 O ATOM 1137 CG2 THR A 64 -10.875 -11.786 7.490 1.00 71.51 C ATOM 0 H THR A 64 -10.489 -7.635 7.081 1.00 34.14 H new ATOM 0 HA THR A 64 -8.921 -10.084 6.497 1.00 3.13 H new ATOM 0 HB THR A 64 -11.619 -9.799 7.781 1.00 62.34 H new ATOM 0 HG1 THR A 64 -10.424 -10.652 9.671 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.427 -12.217 8.325 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.447 -11.915 6.571 1.00 71.51 H new ATOM 0 HG23 THR A 64 -9.913 -12.289 7.392 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.198 -10.302 4.312 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.738 -10.240 2.953 1.00 54.10 C ATOM 1147 C VAL A 65 -12.115 -10.923 2.848 1.00 54.34 C ATOM 1148 O VAL A 65 -12.282 -12.059 3.294 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.748 -10.797 1.893 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.463 -9.951 1.878 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.433 -12.303 1.995 1.00 44.43 C ATOM 0 H VAL A 65 -9.417 -10.949 4.415 1.00 1.44 H new ATOM 0 HA VAL A 65 -10.879 -9.182 2.730 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.268 -10.709 0.939 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -7.774 -10.348 1.132 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -8.710 -8.919 1.630 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -7.993 -9.986 2.861 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -8.733 -12.582 1.208 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -8.990 -12.517 2.967 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.354 -12.876 1.882 1.00 44.43 H new ATOM 1161 N GLY A 66 -13.084 -10.164 2.312 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.500 -10.517 2.265 1.00 2.14 C ATOM 1163 C GLY A 66 -15.282 -9.998 3.488 1.00 14.12 C ATOM 1164 O GLY A 66 -16.469 -10.302 3.589 1.00 1.40 O ATOM 0 H GLY A 66 -12.890 -9.258 1.886 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -14.942 -10.109 1.356 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.599 -11.601 2.209 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.647 -9.236 4.402 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.255 -8.702 5.628 1.00 2.33 C ATOM 1170 C GLU A 67 -14.994 -7.190 5.733 1.00 4.41 C ATOM 1171 O GLU A 67 -13.930 -6.724 5.318 1.00 32.14 O ATOM 1172 CB GLU A 67 -14.669 -9.427 6.860 1.00 31.54 C ATOM 1173 CG GLU A 67 -14.811 -10.965 6.822 1.00 14.13 C ATOM 1174 CD GLU A 67 -14.219 -11.684 8.038 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -13.900 -11.003 9.037 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -14.074 -12.922 7.934 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.668 -8.970 4.300 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.331 -8.870 5.593 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.612 -9.174 6.947 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -15.162 -9.051 7.756 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -15.868 -11.219 6.744 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -14.326 -11.341 5.921 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.964 -6.454 6.310 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.876 -5.007 6.527 1.00 12.25 C ATOM 1185 C GLU A 68 -14.930 -4.690 7.696 1.00 3.41 C ATOM 1186 O GLU A 68 -15.176 -5.136 8.816 1.00 31.22 O ATOM 1187 CB GLU A 68 -17.285 -4.411 6.729 1.00 12.34 C ATOM 1188 CG GLU A 68 -17.292 -2.873 6.881 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.700 -2.296 7.051 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -19.565 -2.636 6.216 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -18.880 -1.510 8.006 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.840 -6.859 6.641 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.450 -4.537 5.641 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.912 -4.686 5.881 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.735 -4.857 7.616 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -16.685 -2.596 7.743 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.825 -2.424 6.004 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.856 -3.948 7.387 1.00 35.11 N ATOM 1199 CA CYS A 69 -12.755 -3.636 8.295 1.00 24.14 C ATOM 1200 C CYS A 69 -12.306 -2.186 8.064 1.00 1.24 C ATOM 1201 O CYS A 69 -12.457 -1.666 6.959 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.565 -4.586 8.069 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.977 -6.293 8.537 1.00 73.13 S ATOM 0 H CYS A 69 -13.731 -3.536 6.462 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.103 -3.763 9.320 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.269 -4.557 7.020 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.710 -4.244 8.652 1.00 31.21 H new ATOM 0 HG CYS A 69 -10.903 -6.903 8.942 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.759 -1.551 9.113 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.424 -0.130 9.087 1.00 52.30 C ATOM 1211 C GLU A 70 -9.978 0.097 8.600 1.00 74.34 C ATOM 1212 O GLU A 70 -9.031 -0.231 9.316 1.00 25.25 O ATOM 1213 CB GLU A 70 -11.699 0.478 10.475 1.00 50.13 C ATOM 1214 CG GLU A 70 -12.018 1.979 10.377 1.00 14.35 C ATOM 1215 CD GLU A 70 -12.131 2.671 11.735 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -13.104 3.441 11.897 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -11.223 2.452 12.568 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.540 -2.011 9.996 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.057 0.386 8.365 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -12.534 -0.043 10.943 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -10.831 0.330 11.117 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -11.240 2.470 9.792 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -12.954 2.108 9.834 1.00 14.35 H new ATOM 1224 N LEU A 71 -9.850 0.668 7.390 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.582 1.041 6.755 1.00 60.35 C ATOM 1226 C LEU A 71 -8.196 2.475 7.135 1.00 15.41 C ATOM 1227 O LEU A 71 -9.052 3.358 7.141 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.715 0.933 5.214 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.275 -0.424 4.631 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -9.055 -1.610 5.225 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -8.329 -0.405 3.089 1.00 4.32 C ATOM 0 H LEU A 71 -10.659 0.889 6.809 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.805 0.361 7.103 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.754 1.114 4.938 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -8.121 1.722 4.754 1.00 65.33 H new ATOM 0 HG LEU A 71 -7.237 -0.577 4.926 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.702 -2.539 4.777 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -8.899 -1.645 6.303 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -10.118 -1.488 5.016 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -8.014 -1.374 2.702 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -9.348 -0.198 2.763 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.663 0.371 2.711 1.00 4.32 H new ATOM 1243 N GLU A 72 -6.889 2.668 7.374 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.234 3.954 7.604 1.00 5.22 C ATOM 1245 C GLU A 72 -5.852 4.631 6.273 1.00 54.31 C ATOM 1246 O GLU A 72 -5.710 3.956 5.251 1.00 55.05 O ATOM 1247 CB GLU A 72 -5.033 3.686 8.552 1.00 30.20 C ATOM 1248 CG GLU A 72 -4.182 4.897 9.005 1.00 61.31 C ATOM 1249 CD GLU A 72 -2.891 5.130 8.211 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -1.940 5.656 8.830 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -2.863 4.802 7.004 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.232 1.888 7.413 1.00 40.11 H new ATOM 0 HA GLU A 72 -6.902 4.670 8.083 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -5.416 3.194 9.446 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.369 2.977 8.058 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -4.796 5.795 8.939 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -3.923 4.764 10.055 1.00 61.31 H new ATOM 1258 N THR A 73 -5.675 5.959 6.330 1.00 14.12 N ATOM 1259 CA THR A 73 -5.164 6.797 5.246 1.00 13.34 C ATOM 1260 C THR A 73 -4.015 7.686 5.765 1.00 65.20 C ATOM 1261 O THR A 73 -3.886 7.875 6.973 1.00 23.23 O ATOM 1262 CB THR A 73 -6.287 7.709 4.678 1.00 62.31 C ATOM 1263 OG1 THR A 73 -6.669 8.753 5.550 1.00 65.12 O ATOM 1264 CG2 THR A 73 -7.551 6.935 4.295 1.00 60.04 C ATOM 0 H THR A 73 -5.894 6.496 7.169 1.00 14.12 H new ATOM 0 HA THR A 73 -4.800 6.141 4.455 1.00 13.34 H new ATOM 0 HB THR A 73 -5.832 8.140 3.786 1.00 62.31 H new ATOM 0 HG1 THR A 73 -6.254 9.591 5.258 1.00 65.12 H new ATOM 0 HG21 THR A 73 -8.297 7.627 3.905 1.00 60.04 H new ATOM 0 HG22 THR A 73 -7.308 6.196 3.532 1.00 60.04 H new ATOM 0 HG23 THR A 73 -7.949 6.430 5.175 1.00 60.04 H new ATOM 1272 N MET A 74 -3.213 8.236 4.832 1.00 72.21 N ATOM 1273 CA MET A 74 -2.060 9.114 5.088 1.00 42.23 C ATOM 1274 C MET A 74 -2.341 10.347 5.976 1.00 45.20 C ATOM 1275 O MET A 74 -1.439 10.785 6.686 1.00 11.12 O ATOM 1276 CB MET A 74 -1.468 9.552 3.731 1.00 54.15 C ATOM 1277 CG MET A 74 -0.489 8.550 3.106 1.00 21.54 C ATOM 1278 SD MET A 74 1.173 8.616 3.829 1.00 51.13 S ATOM 1279 CE MET A 74 2.042 7.477 2.720 1.00 13.43 C ATOM 0 H MET A 74 -3.360 8.071 3.836 1.00 72.21 H new ATOM 0 HA MET A 74 -1.352 8.524 5.670 1.00 42.23 H new ATOM 0 HB2 MET A 74 -2.286 9.724 3.032 1.00 54.15 H new ATOM 0 HB3 MET A 74 -0.956 10.505 3.864 1.00 54.15 H new ATOM 0 HG2 MET A 74 -0.888 7.543 3.224 1.00 21.54 H new ATOM 0 HG3 MET A 74 -0.419 8.742 2.035 1.00 21.54 H new ATOM 0 HE1 MET A 74 3.086 7.399 3.023 1.00 13.43 H new ATOM 0 HE2 MET A 74 1.575 6.493 2.770 1.00 13.43 H new ATOM 0 HE3 MET A 74 1.988 7.852 1.698 1.00 13.43 H new ATOM 1289 N THR A 75 -3.576 10.872 5.947 1.00 42.35 N ATOM 1290 CA THR A 75 -4.050 11.975 6.796 1.00 12.24 C ATOM 1291 C THR A 75 -4.405 11.551 8.242 1.00 50.13 C ATOM 1292 O THR A 75 -4.650 12.431 9.067 1.00 10.31 O ATOM 1293 CB THR A 75 -5.328 12.596 6.184 1.00 54.03 C ATOM 1294 OG1 THR A 75 -6.336 11.615 6.039 1.00 22.32 O ATOM 1295 CG2 THR A 75 -5.083 13.228 4.815 1.00 32.15 C ATOM 0 H THR A 75 -4.295 10.529 5.311 1.00 42.35 H new ATOM 0 HA THR A 75 -3.220 12.680 6.840 1.00 12.24 H new ATOM 0 HB THR A 75 -5.642 13.378 6.876 1.00 54.03 H new ATOM 0 HG1 THR A 75 -7.206 12.053 5.932 1.00 22.32 H new ATOM 0 HG21 THR A 75 -6.015 13.647 4.436 1.00 32.15 H new ATOM 0 HG22 THR A 75 -4.340 14.020 4.908 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.719 12.468 4.123 1.00 32.15 H new ATOM 1303 N GLY A 76 -4.430 10.241 8.534 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.772 9.691 9.846 1.00 42.54 C ATOM 1305 C GLY A 76 -6.282 9.442 10.001 1.00 52.34 C ATOM 1306 O GLY A 76 -6.693 8.967 11.060 1.00 50.44 O ATOM 0 H GLY A 76 -4.207 9.522 7.845 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -4.235 8.755 9.996 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -4.438 10.378 10.623 1.00 42.54 H new ATOM 1310 N GLU A 77 -7.100 9.723 8.968 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.512 9.337 8.900 1.00 22.12 C ATOM 1312 C GLU A 77 -8.643 7.812 8.755 1.00 21.20 C ATOM 1313 O GLU A 77 -7.798 7.185 8.114 1.00 41.31 O ATOM 1314 CB GLU A 77 -9.190 10.041 7.706 1.00 15.43 C ATOM 1315 CG GLU A 77 -9.242 11.575 7.820 1.00 15.44 C ATOM 1316 CD GLU A 77 -9.772 12.200 6.533 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -11.009 12.196 6.351 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -8.929 12.624 5.712 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.786 10.235 8.144 1.00 21.31 H new ATOM 0 HA GLU A 77 -9.005 9.643 9.823 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -8.658 9.774 6.793 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -10.207 9.661 7.605 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -9.880 11.860 8.657 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -8.245 11.962 8.033 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.709 7.257 9.343 1.00 55.25 N ATOM 1326 CA LYS A 78 -10.029 5.837 9.266 1.00 3.40 C ATOM 1327 C LYS A 78 -11.480 5.657 8.808 1.00 71.00 C ATOM 1328 O LYS A 78 -12.359 6.383 9.274 1.00 4.24 O ATOM 1329 CB LYS A 78 -9.772 5.167 10.628 1.00 55.15 C ATOM 1330 CG LYS A 78 -8.284 5.021 11.007 1.00 73.24 C ATOM 1331 CD LYS A 78 -7.989 3.784 11.877 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.077 2.455 11.104 1.00 24.13 C ATOM 1333 NZ LYS A 78 -7.872 1.296 11.986 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.380 7.794 9.892 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.385 5.353 8.532 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -10.274 5.746 11.403 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.230 4.178 10.623 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -7.689 4.964 10.095 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -7.964 5.916 11.541 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -6.992 3.881 12.306 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -8.693 3.759 12.709 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -9.052 2.378 10.623 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.329 2.445 10.311 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -7.939 0.420 11.429 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -6.931 1.356 12.426 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -8.601 1.291 12.728 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.697 4.694 7.896 1.00 1.35 N ATOM 1348 CA VAL A 79 -12.996 4.408 7.286 1.00 52.00 C ATOM 1349 C VAL A 79 -13.192 2.902 7.056 1.00 21.12 C ATOM 1350 O VAL A 79 -12.260 2.203 6.654 1.00 51.44 O ATOM 1351 CB VAL A 79 -13.184 5.132 5.921 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.365 6.649 6.100 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -12.093 4.824 4.872 1.00 11.12 C ATOM 0 H VAL A 79 -10.954 4.082 7.558 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.738 4.779 7.993 1.00 52.00 H new ATOM 0 HB VAL A 79 -14.105 4.715 5.513 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -13.493 7.118 5.124 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -14.246 6.841 6.713 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.485 7.065 6.590 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -12.306 5.372 3.954 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -11.120 5.128 5.259 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -12.082 3.754 4.662 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.431 2.449 7.302 1.00 53.10 N ATOM 1364 CA LYS A 80 -14.905 1.082 7.080 1.00 4.31 C ATOM 1365 C LYS A 80 -15.013 0.769 5.581 1.00 51.25 C ATOM 1366 O LYS A 80 -15.504 1.605 4.819 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.281 0.932 7.753 1.00 10.51 C ATOM 1368 CG LYS A 80 -16.237 1.021 9.291 1.00 11.33 C ATOM 1369 CD LYS A 80 -17.545 1.544 9.904 1.00 15.03 C ATOM 1370 CE LYS A 80 -17.730 3.060 9.709 1.00 54.32 C ATOM 1371 NZ LYS A 80 -19.009 3.524 10.268 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.159 3.056 7.678 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.193 0.379 7.511 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -16.947 1.707 7.373 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -16.712 -0.027 7.467 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -16.021 0.034 9.700 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -15.417 1.675 9.587 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -18.387 1.019 9.454 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -17.559 1.315 10.970 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -16.908 3.592 10.188 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -17.688 3.299 8.646 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -19.101 4.549 10.119 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -19.794 3.033 9.793 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -19.038 3.318 11.287 1.00 45.32 H new ATOM 1385 N THR A 81 -14.574 -0.437 5.199 1.00 62.20 N ATOM 1386 CA THR A 81 -14.570 -0.913 3.820 1.00 53.21 C ATOM 1387 C THR A 81 -14.297 -2.425 3.771 1.00 74.41 C ATOM 1388 O THR A 81 -13.546 -2.942 4.599 1.00 1.11 O ATOM 1389 CB THR A 81 -13.524 -0.156 2.942 1.00 31.43 C ATOM 1390 OG1 THR A 81 -13.524 -0.651 1.616 1.00 61.52 O ATOM 1391 CG2 THR A 81 -12.071 -0.241 3.447 1.00 11.41 C ATOM 0 H THR A 81 -14.204 -1.121 5.859 1.00 62.20 H new ATOM 0 HA THR A 81 -15.559 -0.711 3.409 1.00 53.21 H new ATOM 0 HB THR A 81 -13.844 0.885 2.997 1.00 31.43 H new ATOM 0 HG1 THR A 81 -13.359 0.086 0.992 1.00 61.52 H new ATOM 0 HG21 THR A 81 -11.419 0.314 2.773 1.00 11.41 H new ATOM 0 HG22 THR A 81 -12.008 0.187 4.448 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.757 -1.284 3.478 1.00 11.41 H new ATOM 1399 N VAL A 82 -14.893 -3.102 2.779 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.624 -4.504 2.485 1.00 2.52 C ATOM 1401 C VAL A 82 -13.498 -4.577 1.439 1.00 71.31 C ATOM 1402 O VAL A 82 -13.698 -4.161 0.295 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.881 -5.231 1.923 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.609 -6.703 1.551 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -17.063 -5.170 2.907 1.00 41.33 C ATOM 0 H VAL A 82 -15.582 -2.681 2.156 1.00 54.21 H new ATOM 0 HA VAL A 82 -14.337 -4.999 3.413 1.00 2.52 H new ATOM 0 HB VAL A 82 -16.140 -4.693 1.011 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -16.523 -7.156 1.166 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -14.832 -6.748 0.788 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -15.280 -7.247 2.436 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -17.921 -5.688 2.478 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.781 -5.649 3.845 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -17.326 -4.129 3.096 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.347 -5.130 1.848 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.270 -5.505 0.931 1.00 1.45 C ATOM 1417 C VAL A 83 -11.556 -6.919 0.394 1.00 42.54 C ATOM 1418 O VAL A 83 -12.123 -7.736 1.118 1.00 75.24 O ATOM 1419 CB VAL A 83 -9.882 -5.536 1.632 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.719 -5.823 0.652 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -9.609 -4.256 2.440 1.00 54.42 C ATOM 0 H VAL A 83 -12.140 -5.329 2.827 1.00 50.33 H new ATOM 0 HA VAL A 83 -11.238 -4.760 0.136 1.00 1.45 H new ATOM 0 HB VAL A 83 -9.928 -6.371 2.331 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -7.776 -5.832 1.199 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -8.873 -6.792 0.178 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.687 -5.047 -0.112 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -8.628 -4.325 2.911 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -9.632 -3.393 1.774 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.373 -4.141 3.209 1.00 54.42 H new ATOM 1431 N GLN A 84 -11.156 -7.176 -0.858 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.258 -8.481 -1.506 1.00 63.42 C ATOM 1433 C GLN A 84 -9.870 -8.966 -1.936 1.00 34.52 C ATOM 1434 O GLN A 84 -8.974 -8.150 -2.156 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.194 -8.372 -2.732 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.669 -8.041 -2.410 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.413 -9.106 -1.593 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -13.911 -10.199 -1.340 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -15.645 -8.792 -1.189 1.00 15.21 N ATOM 0 H GLN A 84 -10.743 -6.462 -1.459 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.672 -9.204 -0.803 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -11.804 -7.603 -3.399 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -12.161 -9.315 -3.278 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.703 -7.098 -1.864 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -14.203 -7.886 -3.347 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -16.038 -7.878 -1.413 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -16.194 -9.466 -0.656 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.752 -10.295 -2.078 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.607 -10.969 -2.678 1.00 3.11 C ATOM 1450 C LEU A 85 -9.094 -11.741 -3.905 1.00 44.15 C ATOM 1451 O LEU A 85 -10.008 -12.557 -3.798 1.00 14.14 O ATOM 1452 CB LEU A 85 -7.938 -11.905 -1.648 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.642 -12.598 -2.155 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.385 -12.230 -1.343 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -6.815 -14.124 -2.260 1.00 63.34 C ATOM 0 H LEU A 85 -10.476 -10.943 -1.767 1.00 73.01 H new ATOM 0 HA LEU A 85 -7.856 -10.242 -2.987 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.701 -11.330 -0.753 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.654 -12.672 -1.354 1.00 74.15 H new ATOM 0 HG LEU A 85 -6.475 -12.206 -3.158 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -4.521 -12.751 -1.755 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -5.220 -11.154 -1.396 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -5.525 -12.525 -0.303 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -5.888 -14.572 -2.618 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -7.059 -14.531 -1.279 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -7.621 -14.352 -2.958 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.427 -11.477 -5.036 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.598 -12.165 -6.309 1.00 41.11 C ATOM 1469 C GLU A 86 -7.609 -13.342 -6.411 1.00 1.21 C ATOM 1470 O GLU A 86 -6.668 -13.440 -5.620 1.00 11.02 O ATOM 1471 CB GLU A 86 -8.422 -11.133 -7.452 1.00 33.43 C ATOM 1472 CG GLU A 86 -9.711 -10.369 -7.836 1.00 24.04 C ATOM 1473 CD GLU A 86 -10.394 -9.620 -6.685 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -9.744 -8.710 -6.122 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -11.553 -9.976 -6.382 1.00 55.51 O1- ATOM 0 H GLU A 86 -7.721 -10.742 -5.084 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.597 -12.593 -6.389 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -7.662 -10.410 -7.157 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.045 -11.649 -8.335 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -9.469 -9.653 -8.621 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -10.422 -11.078 -8.259 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.856 -14.235 -7.382 1.00 21.24 N ATOM 1483 CA GLY A 87 -7.139 -15.504 -7.539 1.00 74.23 C ATOM 1484 C GLY A 87 -5.747 -15.380 -8.184 1.00 62.21 C ATOM 1485 O GLY A 87 -5.079 -16.402 -8.331 1.00 1.23 O ATOM 0 H GLY A 87 -8.574 -14.090 -8.092 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -7.030 -15.968 -6.559 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -7.747 -16.177 -8.144 1.00 74.23 H new ATOM 1489 N ASP A 88 -5.315 -14.168 -8.578 1.00 51.20 N ATOM 1490 CA ASP A 88 -4.085 -13.909 -9.338 1.00 31.33 C ATOM 1491 C ASP A 88 -3.115 -13.021 -8.543 1.00 53.45 C ATOM 1492 O ASP A 88 -2.648 -12.018 -9.079 1.00 63.51 O ATOM 1493 CB ASP A 88 -4.376 -13.322 -10.743 1.00 70.11 C ATOM 1494 CG ASP A 88 -5.370 -14.138 -11.567 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -4.942 -15.194 -12.081 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -6.526 -13.676 -11.692 1.00 44.22 O1- ATOM 0 H ASP A 88 -5.833 -13.315 -8.367 1.00 51.20 H new ATOM 0 HA ASP A 88 -3.599 -14.872 -9.496 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -4.761 -12.309 -10.629 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -3.439 -13.247 -11.295 1.00 70.11 H new ATOM 1501 N ASN A 89 -2.818 -13.412 -7.287 1.00 44.15 N ATOM 1502 CA ASN A 89 -1.914 -12.746 -6.324 1.00 32.45 C ATOM 1503 C ASN A 89 -2.166 -11.230 -6.159 1.00 53.43 C ATOM 1504 O ASN A 89 -1.211 -10.453 -6.104 1.00 3.32 O ATOM 1505 CB ASN A 89 -0.417 -13.141 -6.538 1.00 21.54 C ATOM 1506 CG ASN A 89 0.177 -12.962 -7.945 1.00 25.31 C ATOM 1507 OD1 ASN A 89 0.557 -13.937 -8.586 1.00 53.32 O ATOM 1508 ND2 ASN A 89 0.278 -11.721 -8.428 1.00 2.41 N ATOM 0 H ASN A 89 -3.230 -14.257 -6.891 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.178 -13.145 -5.345 1.00 32.45 H new ATOM 0 HB2 ASN A 89 0.186 -12.557 -5.843 1.00 21.54 H new ATOM 0 HB3 ASN A 89 -0.303 -14.188 -6.257 1.00 21.54 H new ATOM 0 HD21 ASN A 89 0.679 -11.565 -9.353 1.00 2.41 H new ATOM 0 HD22 ASN A 89 -0.046 -10.930 -7.872 1.00 2.41 H new ATOM 1515 N LYS A 90 -3.455 -10.847 -6.117 1.00 32.00 N ATOM 1516 CA LYS A 90 -3.930 -9.463 -6.153 1.00 75.42 C ATOM 1517 C LYS A 90 -5.000 -9.218 -5.082 1.00 54.10 C ATOM 1518 O LYS A 90 -5.832 -10.088 -4.829 1.00 42.13 O ATOM 1519 CB LYS A 90 -4.468 -9.151 -7.572 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.340 -8.904 -8.591 1.00 64.21 C ATOM 1521 CD LYS A 90 -3.708 -9.159 -10.060 1.00 11.12 C ATOM 1522 CE LYS A 90 -4.562 -8.064 -10.700 1.00 74.24 C ATOM 1523 NZ LYS A 90 -4.779 -8.350 -12.128 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.217 -11.522 -6.055 1.00 32.00 H new ATOM 0 HA LYS A 90 -3.101 -8.791 -5.931 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -5.086 -9.982 -7.913 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -5.112 -8.272 -7.528 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -3.005 -7.871 -8.493 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -2.494 -9.540 -8.331 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -2.790 -9.270 -10.637 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -4.244 -10.106 -10.128 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -5.521 -7.996 -10.187 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -4.070 -7.098 -10.587 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -5.361 -7.597 -12.548 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -3.862 -8.393 -12.617 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -5.268 -9.262 -12.229 1.00 4.04 H new ATOM 1537 N LEU A 91 -4.964 -8.005 -4.511 1.00 63.34 N ATOM 1538 CA LEU A 91 -5.960 -7.438 -3.601 1.00 44.30 C ATOM 1539 C LEU A 91 -6.592 -6.213 -4.276 1.00 43.45 C ATOM 1540 O LEU A 91 -5.907 -5.522 -5.033 1.00 4.52 O ATOM 1541 CB LEU A 91 -5.262 -6.969 -2.303 1.00 2.44 C ATOM 1542 CG LEU A 91 -4.736 -8.091 -1.388 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -3.695 -7.561 -0.380 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -5.889 -8.800 -0.663 1.00 64.04 C ATOM 0 H LEU A 91 -4.193 -7.360 -4.684 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.716 -8.188 -3.368 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.426 -6.324 -2.574 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -5.964 -6.360 -1.734 1.00 2.44 H new ATOM 0 HG LEU A 91 -4.236 -8.821 -2.024 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -3.347 -8.381 0.248 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -2.850 -7.134 -0.920 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -4.152 -6.794 0.245 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -5.488 -9.587 -0.024 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -6.433 -8.079 -0.053 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -6.566 -9.238 -1.397 1.00 64.04 H new ATOM 1556 N VAL A 92 -7.866 -5.939 -3.956 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.586 -4.740 -4.397 1.00 34.04 C ATOM 1558 C VAL A 92 -9.495 -4.239 -3.257 1.00 1.21 C ATOM 1559 O VAL A 92 -10.141 -5.048 -2.592 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.462 -4.999 -5.665 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -10.270 -3.767 -6.129 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -8.634 -5.525 -6.855 1.00 51.23 C ATOM 0 H VAL A 92 -8.432 -6.556 -3.374 1.00 1.53 H new ATOM 0 HA VAL A 92 -7.837 -3.992 -4.657 1.00 34.04 H new ATOM 0 HB VAL A 92 -10.169 -5.765 -5.344 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -10.852 -4.026 -7.013 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -10.942 -3.451 -5.331 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.586 -2.953 -6.370 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.290 -5.689 -7.710 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -7.870 -4.794 -7.118 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -8.157 -6.465 -6.579 1.00 51.23 H new ATOM 1572 N THR A 93 -9.555 -2.911 -3.081 1.00 62.12 N ATOM 1573 CA THR A 93 -10.434 -2.219 -2.132 1.00 15.25 C ATOM 1574 C THR A 93 -10.701 -0.776 -2.609 1.00 24.45 C ATOM 1575 O THR A 93 -10.065 -0.329 -3.561 1.00 31.45 O ATOM 1576 CB THR A 93 -9.843 -2.232 -0.689 1.00 54.24 C ATOM 1577 OG1 THR A 93 -10.735 -1.666 0.257 1.00 74.54 O ATOM 1578 CG2 THR A 93 -8.499 -1.509 -0.515 1.00 53.44 C ATOM 0 H THR A 93 -8.971 -2.268 -3.616 1.00 62.12 H new ATOM 0 HA THR A 93 -11.382 -2.755 -2.096 1.00 15.25 H new ATOM 0 HB THR A 93 -9.682 -3.296 -0.513 1.00 54.24 H new ATOM 0 HG1 THR A 93 -10.237 -1.401 1.058 1.00 74.54 H new ATOM 0 HG21 THR A 93 -8.180 -1.579 0.525 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.750 -1.974 -1.156 1.00 53.44 H new ATOM 0 HG23 THR A 93 -8.612 -0.460 -0.790 1.00 53.44 H new ATOM 1586 N THR A 94 -11.643 -0.074 -1.962 1.00 1.14 N ATOM 1587 CA THR A 94 -11.904 1.347 -2.186 1.00 54.14 C ATOM 1588 C THR A 94 -12.191 2.026 -0.836 1.00 52.11 C ATOM 1589 O THR A 94 -13.038 1.543 -0.086 1.00 1.32 O ATOM 1590 CB THR A 94 -13.108 1.584 -3.138 1.00 44.02 C ATOM 1591 OG1 THR A 94 -12.856 0.967 -4.386 1.00 73.45 O ATOM 1592 CG2 THR A 94 -13.422 3.065 -3.427 1.00 1.00 C ATOM 0 H THR A 94 -12.253 -0.489 -1.257 1.00 1.14 H new ATOM 0 HA THR A 94 -11.019 1.774 -2.658 1.00 54.14 H new ATOM 0 HB THR A 94 -13.965 1.158 -2.616 1.00 44.02 H new ATOM 0 HG1 THR A 94 -13.618 1.116 -4.984 1.00 73.45 H new ATOM 0 HG21 THR A 94 -14.277 3.131 -4.100 1.00 1.00 H new ATOM 0 HG22 THR A 94 -13.655 3.576 -2.493 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.556 3.536 -3.893 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.489 3.135 -0.560 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.610 3.920 0.668 1.00 32.54 C ATOM 1602 C PHE A 95 -11.535 5.407 0.292 1.00 11.00 C ATOM 1603 O PHE A 95 -10.625 5.780 -0.441 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.496 3.485 1.660 1.00 13.41 C ATOM 1605 CG PHE A 95 -9.052 3.802 1.280 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.302 2.900 0.495 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -8.503 5.069 1.567 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -7.022 3.243 0.079 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -7.230 5.399 1.126 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.489 4.487 0.388 1.00 64.14 C ATOM 0 H PHE A 95 -10.801 3.519 -1.208 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.563 3.750 1.169 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.701 3.953 2.623 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.577 2.408 1.806 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -8.723 1.945 0.218 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -9.077 5.787 2.134 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.436 2.536 -0.490 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -6.814 6.369 1.358 1.00 44.41 H new ATOM 0 HZ PHE A 95 -5.495 4.746 0.053 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.466 6.237 0.803 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.493 7.707 0.645 1.00 2.14 C ATOM 1622 C LYS A 96 -12.324 8.209 -0.808 1.00 73.30 C ATOM 1623 O LYS A 96 -11.507 9.095 -1.066 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.476 8.359 1.618 1.00 54.30 C ATOM 1625 CG LYS A 96 -11.984 8.458 3.064 1.00 52.21 C ATOM 1626 CD LYS A 96 -10.900 8.848 4.085 1.00 65.24 C ATOM 1627 CE LYS A 96 -10.012 10.040 3.682 1.00 44.02 C ATOM 1628 NZ LYS A 96 -10.785 11.289 3.553 1.00 40.12 N1+ ATOM 0 H LYS A 96 -13.249 5.891 1.358 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.501 8.028 0.909 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.552 7.781 1.605 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.232 9.359 1.259 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -12.788 9.192 3.106 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -12.413 7.499 3.354 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -11.385 9.082 5.033 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -10.260 7.983 4.259 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -9.227 10.175 4.427 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -9.519 9.820 2.735 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -10.189 12.023 3.120 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -11.618 11.121 2.954 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -11.094 11.605 4.494 1.00 40.12 H new ATOM 1642 N ASN A 97 -13.086 7.614 -1.744 1.00 34.43 N ATOM 1643 CA ASN A 97 -13.055 7.878 -3.196 1.00 42.31 C ATOM 1644 C ASN A 97 -11.811 7.294 -3.913 1.00 20.05 C ATOM 1645 O ASN A 97 -11.721 7.422 -5.135 1.00 24.34 O ATOM 1646 CB ASN A 97 -13.197 9.389 -3.567 1.00 63.24 C ATOM 1647 CG ASN A 97 -14.188 10.218 -2.734 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -15.248 9.739 -2.342 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -13.832 11.475 -2.459 1.00 21.54 N ATOM 0 H ASN A 97 -13.773 6.902 -1.497 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.938 7.352 -3.559 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -12.214 9.853 -3.485 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -13.495 9.455 -4.614 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -14.449 12.071 -1.907 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -12.943 11.840 -2.801 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.872 6.689 -3.162 1.00 51.10 N ATOM 1657 CA ILE A 98 -9.597 6.174 -3.653 1.00 11.54 C ATOM 1658 C ILE A 98 -9.735 4.657 -3.870 1.00 44.12 C ATOM 1659 O ILE A 98 -9.724 3.901 -2.898 1.00 21.33 O ATOM 1660 CB ILE A 98 -8.410 6.407 -2.654 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -8.448 7.822 -2.026 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -7.062 6.087 -3.337 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.178 8.274 -1.292 1.00 25.24 C ATOM 0 H ILE A 98 -10.993 6.544 -2.160 1.00 51.10 H new ATOM 0 HA ILE A 98 -9.369 6.711 -4.574 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.523 5.715 -1.819 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -8.661 8.542 -2.817 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -9.281 7.863 -1.325 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -6.248 6.253 -2.631 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -7.056 5.046 -3.659 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.930 6.736 -4.203 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -7.325 9.279 -0.896 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -6.968 7.588 -0.472 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.338 8.277 -1.987 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.843 4.238 -5.141 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.740 2.830 -5.525 1.00 5.21 C ATOM 1677 C LYS A 99 -8.278 2.376 -5.412 1.00 52.23 C ATOM 1678 O LYS A 99 -7.402 3.029 -5.973 1.00 5.11 O ATOM 1679 CB LYS A 99 -10.322 2.617 -6.937 1.00 24.03 C ATOM 1680 CG LYS A 99 -10.192 1.168 -7.453 1.00 41.04 C ATOM 1681 CD LYS A 99 -10.926 0.938 -8.779 1.00 15.11 C ATOM 1682 CE LYS A 99 -10.780 -0.505 -9.281 1.00 4.42 C ATOM 1683 NZ LYS A 99 -11.538 -0.716 -10.526 1.00 61.23 N1+ ATOM 0 H LYS A 99 -10.004 4.868 -5.927 1.00 23.23 H new ATOM 0 HA LYS A 99 -10.330 2.212 -4.848 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -11.375 2.898 -6.932 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -9.817 3.287 -7.633 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -9.137 0.927 -7.581 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -10.586 0.484 -6.702 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -11.983 1.171 -8.652 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -10.536 1.624 -9.531 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -9.727 -0.729 -9.451 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -11.133 -1.196 -8.516 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -11.421 -1.700 -10.841 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -12.546 -0.525 -10.355 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -11.183 -0.072 -11.262 1.00 61.23 H new ATOM 1697 N SER A 100 -8.059 1.274 -4.693 1.00 12.14 N ATOM 1698 CA SER A 100 -6.749 0.710 -4.402 1.00 4.03 C ATOM 1699 C SER A 100 -6.641 -0.685 -5.023 1.00 14.30 C ATOM 1700 O SER A 100 -7.597 -1.459 -4.966 1.00 34.33 O ATOM 1701 CB SER A 100 -6.603 0.649 -2.874 1.00 31.31 C ATOM 1702 OG SER A 100 -5.343 0.150 -2.468 1.00 30.12 O ATOM 0 H SER A 100 -8.821 0.733 -4.284 1.00 12.14 H new ATOM 0 HA SER A 100 -5.952 1.322 -4.824 1.00 4.03 H new ATOM 0 HB2 SER A 100 -6.746 1.647 -2.459 1.00 31.31 H new ATOM 0 HB3 SER A 100 -7.390 0.017 -2.462 1.00 31.31 H new ATOM 0 HG SER A 100 -4.684 0.875 -2.483 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.455 -0.982 -5.567 1.00 15.43 N ATOM 1709 CA VAL A 101 -5.055 -2.302 -6.034 1.00 41.42 C ATOM 1710 C VAL A 101 -3.643 -2.564 -5.485 1.00 73.31 C ATOM 1711 O VAL A 101 -2.798 -1.672 -5.559 1.00 50.41 O ATOM 1712 CB VAL A 101 -5.016 -2.387 -7.589 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.535 -3.755 -8.121 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.378 -2.040 -8.219 1.00 33.25 C ATOM 0 H VAL A 101 -4.726 -0.280 -5.696 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.779 -3.040 -5.687 1.00 41.42 H new ATOM 0 HB VAL A 101 -4.280 -1.641 -7.890 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -4.533 -3.741 -9.211 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.526 -3.952 -7.759 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -5.206 -4.539 -7.769 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.306 -2.112 -9.304 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -7.134 -2.738 -7.859 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -6.660 -1.024 -7.941 1.00 33.25 H new ATOM 1724 N THR A 102 -3.415 -3.776 -4.959 1.00 24.33 N ATOM 1725 CA THR A 102 -2.097 -4.250 -4.525 1.00 33.12 C ATOM 1726 C THR A 102 -1.809 -5.598 -5.202 1.00 23.12 C ATOM 1727 O THR A 102 -2.747 -6.365 -5.412 1.00 43.43 O ATOM 1728 CB THR A 102 -2.008 -4.464 -2.990 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.589 -3.378 -2.295 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.567 -4.631 -2.474 1.00 31.04 C ATOM 0 H THR A 102 -4.155 -4.464 -4.822 1.00 24.33 H new ATOM 0 HA THR A 102 -1.373 -3.484 -4.804 1.00 33.12 H new ATOM 0 HB THR A 102 -2.551 -5.390 -2.802 1.00 41.33 H new ATOM 0 HG1 THR A 102 -2.523 -3.535 -1.330 1.00 45.21 H new ATOM 0 HG21 THR A 102 -0.582 -4.776 -1.394 1.00 31.04 H new ATOM 0 HG22 THR A 102 -0.108 -5.497 -2.950 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.010 -3.738 -2.712 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.538 -5.865 -5.542 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.135 -7.058 -6.285 1.00 44.25 C ATOM 1740 C GLU A 103 1.256 -7.539 -5.849 1.00 51.33 C ATOM 1741 O GLU A 103 2.138 -6.719 -5.606 1.00 41.11 O ATOM 1742 CB GLU A 103 -0.259 -6.760 -7.796 1.00 1.24 C ATOM 1743 CG GLU A 103 0.131 -7.926 -8.729 1.00 23.53 C ATOM 1744 CD GLU A 103 -0.228 -7.694 -10.204 1.00 32.14 C ATOM 1745 OE1 GLU A 103 -1.052 -6.796 -10.485 1.00 13.35 O ATOM 1746 OE2 GLU A 103 0.304 -8.461 -11.035 1.00 63.03 O1- ATOM 0 H GLU A 103 0.241 -5.251 -5.305 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.797 -7.895 -6.062 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -1.288 -6.473 -8.010 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.368 -5.900 -8.033 1.00 1.24 H new ATOM 0 HG2 GLU A 103 1.205 -8.097 -8.650 1.00 23.53 H new ATOM 0 HG3 GLU A 103 -0.363 -8.834 -8.384 1.00 23.53 H new ATOM 1753 N LEU A 104 1.407 -8.872 -5.771 1.00 12.24 N ATOM 1754 CA LEU A 104 2.611 -9.591 -5.362 1.00 3.33 C ATOM 1755 C LEU A 104 3.185 -10.328 -6.583 1.00 4.31 C ATOM 1756 O LEU A 104 2.782 -11.459 -6.854 1.00 24.51 O ATOM 1757 CB LEU A 104 2.207 -10.559 -4.222 1.00 50.23 C ATOM 1758 CG LEU A 104 3.272 -11.595 -3.776 1.00 42.43 C ATOM 1759 CD1 LEU A 104 4.253 -11.021 -2.740 1.00 52.40 C ATOM 1760 CD2 LEU A 104 2.585 -12.871 -3.274 1.00 40.33 C ATOM 0 H LEU A 104 0.644 -9.507 -6.007 1.00 12.24 H new ATOM 0 HA LEU A 104 3.388 -8.922 -4.992 1.00 3.33 H new ATOM 0 HB2 LEU A 104 1.927 -9.963 -3.353 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.316 -11.102 -4.537 1.00 50.23 H new ATOM 0 HG LEU A 104 3.877 -11.850 -4.646 1.00 42.43 H new ATOM 0 HD11 LEU A 104 4.977 -11.787 -2.462 1.00 52.40 H new ATOM 0 HD12 LEU A 104 4.776 -10.166 -3.169 1.00 52.40 H new ATOM 0 HD13 LEU A 104 3.702 -10.703 -1.855 1.00 52.40 H new ATOM 0 HD21 LEU A 104 3.340 -13.593 -2.963 1.00 40.33 H new ATOM 0 HD22 LEU A 104 1.943 -12.629 -2.427 1.00 40.33 H new ATOM 0 HD23 LEU A 104 1.982 -13.299 -4.075 1.00 40.33 H new ATOM 1772 N ASN A 105 4.136 -9.695 -7.283 1.00 14.25 N ATOM 1773 CA ASN A 105 4.859 -10.292 -8.410 1.00 22.34 C ATOM 1774 C ASN A 105 6.180 -10.888 -7.898 1.00 31.52 C ATOM 1775 O ASN A 105 7.236 -10.274 -8.058 1.00 42.33 O ATOM 1776 CB ASN A 105 5.086 -9.237 -9.518 1.00 62.45 C ATOM 1777 CG ASN A 105 3.784 -8.657 -10.072 1.00 34.21 C ATOM 1778 OD1 ASN A 105 3.525 -7.464 -9.925 1.00 21.24 O ATOM 1779 ND2 ASN A 105 2.955 -9.497 -10.697 1.00 62.21 N ATOM 0 H ASN A 105 4.428 -8.739 -7.078 1.00 14.25 H new ATOM 0 HA ASN A 105 4.271 -11.096 -8.852 1.00 22.34 H new ATOM 0 HB2 ASN A 105 5.697 -8.427 -9.120 1.00 62.45 H new ATOM 0 HB3 ASN A 105 5.650 -9.691 -10.333 1.00 62.45 H new ATOM 0 HD21 ASN A 105 2.070 -9.155 -11.073 1.00 62.21 H new ATOM 0 HD22 ASN A 105 3.206 -10.480 -10.799 1.00 62.21 H new ATOM 1786 N GLY A 106 6.087 -12.076 -7.270 1.00 23.14 N ATOM 1787 CA GLY A 106 7.223 -12.789 -6.686 1.00 31.34 C ATOM 1788 C GLY A 106 7.720 -12.031 -5.450 1.00 2.33 C ATOM 1789 O GLY A 106 7.013 -11.948 -4.448 1.00 44.23 O ATOM 0 H GLY A 106 5.202 -12.570 -7.156 1.00 23.14 H new ATOM 0 HA2 GLY A 106 6.928 -13.802 -6.411 1.00 31.34 H new ATOM 0 HA3 GLY A 106 8.025 -12.879 -7.418 1.00 31.34 H new ATOM 1793 N ASP A 107 8.947 -11.495 -5.546 1.00 52.25 N ATOM 1794 CA ASP A 107 9.615 -10.685 -4.520 1.00 15.31 C ATOM 1795 C ASP A 107 9.366 -9.169 -4.675 1.00 53.11 C ATOM 1796 O ASP A 107 9.891 -8.403 -3.866 1.00 64.54 O ATOM 1797 CB ASP A 107 11.131 -10.982 -4.465 1.00 73.33 C ATOM 1798 CG ASP A 107 11.464 -12.471 -4.355 1.00 71.23 C ATOM 1799 OD1 ASP A 107 11.876 -13.042 -5.389 1.00 43.31 O ATOM 1800 OD2 ASP A 107 11.318 -13.006 -3.234 1.00 42.41 O1- ATOM 0 H ASP A 107 9.524 -11.621 -6.378 1.00 52.25 H new ATOM 0 HA ASP A 107 9.163 -10.980 -3.573 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.604 -10.579 -5.361 1.00 73.33 H new ATOM 0 HB3 ASP A 107 11.564 -10.458 -3.613 1.00 73.33 H new ATOM 1805 N ILE A 108 8.588 -8.751 -5.689 1.00 11.24 N ATOM 1806 CA ILE A 108 8.258 -7.350 -5.962 1.00 74.42 C ATOM 1807 C ILE A 108 6.794 -7.107 -5.542 1.00 20.20 C ATOM 1808 O ILE A 108 5.932 -7.924 -5.864 1.00 10.32 O ATOM 1809 CB ILE A 108 8.351 -7.010 -7.485 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.570 -7.636 -8.207 1.00 52.31 C ATOM 1811 CG2 ILE A 108 8.280 -5.488 -7.746 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.940 -7.281 -7.619 1.00 15.22 C ATOM 0 H ILE A 108 8.164 -9.397 -6.354 1.00 11.24 H new ATOM 0 HA ILE A 108 8.966 -6.730 -5.412 1.00 74.42 H new ATOM 0 HB ILE A 108 7.470 -7.479 -7.923 1.00 32.54 H new ATOM 0 HG12 ILE A 108 9.459 -8.720 -8.196 1.00 52.31 H new ATOM 0 HG13 ILE A 108 9.551 -7.325 -9.251 1.00 52.31 H new ATOM 0 HG21 ILE A 108 8.348 -5.299 -8.817 1.00 72.23 H new ATOM 0 HG22 ILE A 108 7.335 -5.098 -7.368 1.00 72.23 H new ATOM 0 HG23 ILE A 108 9.107 -4.993 -7.237 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.723 -7.771 -8.199 1.00 15.22 H new ATOM 0 HD12 ILE A 108 11.083 -6.201 -7.656 1.00 15.22 H new ATOM 0 HD13 ILE A 108 10.990 -7.618 -6.584 1.00 15.22 H new ATOM 1824 N ILE A 109 6.533 -5.974 -4.872 1.00 41.02 N ATOM 1825 CA ILE A 109 5.189 -5.506 -4.537 1.00 74.12 C ATOM 1826 C ILE A 109 4.887 -4.247 -5.357 1.00 72.34 C ATOM 1827 O ILE A 109 5.659 -3.290 -5.304 1.00 74.32 O ATOM 1828 CB ILE A 109 5.044 -5.139 -3.029 1.00 0.14 C ATOM 1829 CG1 ILE A 109 5.297 -6.355 -2.120 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.704 -4.455 -2.650 1.00 35.50 C ATOM 1831 CD1 ILE A 109 4.341 -7.536 -2.320 1.00 62.41 C ATOM 0 H ILE A 109 7.269 -5.348 -4.544 1.00 41.02 H new ATOM 0 HA ILE A 109 4.496 -6.317 -4.761 1.00 74.12 H new ATOM 0 HB ILE A 109 5.819 -4.392 -2.860 1.00 0.14 H new ATOM 0 HG12 ILE A 109 6.317 -6.703 -2.283 1.00 55.55 H new ATOM 0 HG13 ILE A 109 5.234 -6.030 -1.081 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.696 -4.238 -1.582 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.599 -3.526 -3.210 1.00 35.50 H new ATOM 0 HG23 ILE A 109 2.875 -5.120 -2.892 1.00 35.50 H new ATOM 0 HD11 ILE A 109 4.606 -8.339 -1.632 1.00 62.41 H new ATOM 0 HD12 ILE A 109 3.318 -7.213 -2.125 1.00 62.41 H new ATOM 0 HD13 ILE A 109 4.418 -7.897 -3.346 1.00 62.41 H new ATOM 1843 N THR A 110 3.741 -4.260 -6.047 1.00 52.21 N ATOM 1844 CA THR A 110 3.151 -3.080 -6.668 1.00 55.31 C ATOM 1845 C THR A 110 1.936 -2.645 -5.832 1.00 60.14 C ATOM 1846 O THR A 110 1.176 -3.496 -5.376 1.00 33.00 O ATOM 1847 CB THR A 110 2.663 -3.384 -8.112 1.00 23.34 C ATOM 1848 OG1 THR A 110 3.782 -3.721 -8.908 1.00 43.22 O ATOM 1849 CG2 THR A 110 1.922 -2.233 -8.822 1.00 74.24 C ATOM 0 H THR A 110 3.192 -5.108 -6.189 1.00 52.21 H new ATOM 0 HA THR A 110 3.909 -2.298 -6.712 1.00 55.31 H new ATOM 0 HB THR A 110 1.943 -4.195 -8.003 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.486 -3.917 -9.822 1.00 43.22 H new ATOM 0 HG21 THR A 110 1.626 -2.552 -9.821 1.00 74.24 H new ATOM 0 HG22 THR A 110 1.034 -1.964 -8.250 1.00 74.24 H new ATOM 0 HG23 THR A 110 2.581 -1.368 -8.898 1.00 74.24 H new ATOM 1857 N ASN A 111 1.765 -1.323 -5.700 1.00 41.41 N ATOM 1858 CA ASN A 111 0.524 -0.670 -5.287 1.00 23.41 C ATOM 1859 C ASN A 111 0.148 0.340 -6.373 1.00 62.20 C ATOM 1860 O ASN A 111 1.021 0.949 -6.989 1.00 20.43 O ATOM 1861 CB ASN A 111 0.714 0.042 -3.921 1.00 72.21 C ATOM 1862 CG ASN A 111 0.062 -0.710 -2.761 1.00 71.22 C ATOM 1863 OD1 ASN A 111 0.745 -1.245 -1.893 1.00 2.22 O ATOM 1864 ND2 ASN A 111 -1.272 -0.730 -2.737 1.00 23.45 N ATOM 0 H ASN A 111 2.516 -0.658 -5.885 1.00 41.41 H new ATOM 0 HA ASN A 111 -0.271 -1.406 -5.164 1.00 23.41 H new ATOM 0 HB2 ASN A 111 1.780 0.154 -3.721 1.00 72.21 H new ATOM 0 HB3 ASN A 111 0.293 1.046 -3.979 1.00 72.21 H new ATOM 0 HD21 ASN A 111 -1.761 -1.203 -1.977 1.00 23.45 H new ATOM 0 HD22 ASN A 111 -1.802 -0.273 -3.479 1.00 23.45 H new ATOM 1871 N THR A 112 -1.164 0.521 -6.537 1.00 33.00 N ATOM 1872 CA THR A 112 -1.772 1.572 -7.341 1.00 72.14 C ATOM 1873 C THR A 112 -2.948 2.142 -6.538 1.00 63.23 C ATOM 1874 O THR A 112 -3.727 1.371 -5.980 1.00 44.44 O ATOM 1875 CB THR A 112 -2.304 1.039 -8.699 1.00 60.33 C ATOM 1876 OG1 THR A 112 -1.244 0.462 -9.437 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.968 2.101 -9.598 1.00 12.21 C ATOM 0 H THR A 112 -1.854 -0.086 -6.095 1.00 33.00 H new ATOM 0 HA THR A 112 -1.018 2.328 -7.560 1.00 72.14 H new ATOM 0 HB THR A 112 -3.072 0.314 -8.431 1.00 60.33 H new ATOM 0 HG1 THR A 112 -1.586 0.126 -10.292 1.00 13.12 H new ATOM 0 HG21 THR A 112 -3.307 1.634 -10.523 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.821 2.537 -9.077 1.00 12.21 H new ATOM 0 HG23 THR A 112 -2.246 2.884 -9.830 1.00 12.21 H new ATOM 1885 N MET A 113 -3.057 3.477 -6.510 1.00 11.55 N ATOM 1886 CA MET A 113 -4.191 4.218 -5.961 1.00 52.41 C ATOM 1887 C MET A 113 -4.765 5.105 -7.071 1.00 43.21 C ATOM 1888 O MET A 113 -4.008 5.620 -7.891 1.00 62.25 O ATOM 1889 CB MET A 113 -3.748 5.092 -4.774 1.00 24.04 C ATOM 1890 CG MET A 113 -3.141 4.344 -3.578 1.00 35.13 C ATOM 1891 SD MET A 113 -4.322 3.334 -2.656 1.00 42.04 S ATOM 1892 CE MET A 113 -3.263 2.804 -1.286 1.00 12.50 C ATOM 0 H MET A 113 -2.331 4.088 -6.883 1.00 11.55 H new ATOM 0 HA MET A 113 -4.945 3.518 -5.601 1.00 52.41 H new ATOM 0 HB2 MET A 113 -3.017 5.816 -5.134 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.611 5.658 -4.423 1.00 24.04 H new ATOM 0 HG2 MET A 113 -2.335 3.704 -3.936 1.00 35.13 H new ATOM 0 HG3 MET A 113 -2.694 5.070 -2.899 1.00 35.13 H new ATOM 0 HE1 MET A 113 -3.833 2.166 -0.611 1.00 12.50 H new ATOM 0 HE2 MET A 113 -2.412 2.248 -1.678 1.00 12.50 H new ATOM 0 HE3 MET A 113 -2.906 3.679 -0.743 1.00 12.50 H new ATOM 1902 N THR A 114 -6.092 5.280 -7.074 1.00 70.23 N ATOM 1903 CA THR A 114 -6.810 6.058 -8.076 1.00 53.04 C ATOM 1904 C THR A 114 -7.887 6.895 -7.367 1.00 72.10 C ATOM 1905 O THR A 114 -9.011 6.426 -7.176 1.00 25.44 O ATOM 1906 CB THR A 114 -7.446 5.148 -9.166 1.00 25.24 C ATOM 1907 OG1 THR A 114 -6.439 4.370 -9.786 1.00 22.51 O ATOM 1908 CG2 THR A 114 -8.178 5.916 -10.282 1.00 60.41 C ATOM 0 H THR A 114 -6.703 4.875 -6.365 1.00 70.23 H new ATOM 0 HA THR A 114 -6.106 6.714 -8.588 1.00 53.04 H new ATOM 0 HB THR A 114 -8.181 4.539 -8.639 1.00 25.24 H new ATOM 0 HG1 THR A 114 -6.843 3.797 -10.471 1.00 22.51 H new ATOM 0 HG21 THR A 114 -8.592 5.208 -11.000 1.00 60.41 H new ATOM 0 HG22 THR A 114 -8.985 6.506 -9.848 1.00 60.41 H new ATOM 0 HG23 THR A 114 -7.476 6.578 -10.789 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.489 8.112 -6.961 1.00 21.03 N ATOM 1917 CA LEU A 115 -8.328 9.104 -6.289 1.00 55.34 C ATOM 1918 C LEU A 115 -8.756 10.170 -7.299 1.00 64.34 C ATOM 1919 O LEU A 115 -7.940 11.030 -7.624 1.00 21.52 O ATOM 1920 CB LEU A 115 -7.524 9.734 -5.120 1.00 4.13 C ATOM 1921 CG LEU A 115 -8.156 10.962 -4.404 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -9.642 10.781 -4.014 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -7.284 11.417 -3.214 1.00 53.31 C ATOM 0 H LEU A 115 -6.533 8.440 -7.100 1.00 21.03 H new ATOM 0 HA LEU A 115 -9.225 8.635 -5.884 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -7.351 8.959 -4.373 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -6.548 10.032 -5.503 1.00 4.13 H new ATOM 0 HG LEU A 115 -8.170 11.764 -5.142 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -10.001 11.684 -3.521 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -10.234 10.598 -4.911 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -9.739 9.934 -3.335 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -7.748 12.277 -2.731 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -7.194 10.602 -2.496 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -6.293 11.694 -3.574 1.00 53.31 H new ATOM 1935 N GLY A 116 -10.030 10.120 -7.728 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.670 11.131 -8.573 1.00 74.52 C ATOM 1937 C GLY A 116 -9.937 11.298 -9.912 1.00 34.22 C ATOM 1938 O GLY A 116 -10.102 10.479 -10.814 1.00 60.22 O ATOM 0 H GLY A 116 -10.656 9.352 -7.487 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.706 10.848 -8.758 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.690 12.086 -8.047 1.00 74.52 H new ATOM 1942 N ASP A 117 -9.150 12.382 -10.015 1.00 65.24 N ATOM 1943 CA ASP A 117 -8.375 12.778 -11.194 1.00 12.31 C ATOM 1944 C ASP A 117 -6.905 12.283 -11.140 1.00 24.33 C ATOM 1945 O ASP A 117 -6.213 12.376 -12.153 1.00 32.21 O ATOM 1946 CB ASP A 117 -8.423 14.324 -11.315 1.00 10.40 C ATOM 1947 CG ASP A 117 -8.091 14.884 -12.704 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -8.512 14.257 -13.702 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -7.501 15.984 -12.739 1.00 64.20 O1- ATOM 0 H ASP A 117 -9.034 13.034 -9.239 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.821 12.309 -12.071 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -9.420 14.663 -11.034 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -7.726 14.750 -10.594 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.437 11.788 -9.978 1.00 63.44 N ATOM 1955 CA ILE A 118 -5.042 11.409 -9.724 1.00 63.52 C ATOM 1956 C ILE A 118 -4.881 9.879 -9.801 1.00 62.02 C ATOM 1957 O ILE A 118 -5.701 9.160 -9.229 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.590 11.854 -8.295 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -4.871 13.350 -8.014 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.113 11.519 -7.975 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -4.278 14.330 -9.039 1.00 63.33 C ATOM 0 H ILE A 118 -7.040 11.638 -9.169 1.00 63.44 H new ATOM 0 HA ILE A 118 -4.432 11.902 -10.481 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.208 11.259 -7.623 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -5.950 13.499 -7.974 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -4.478 13.598 -7.028 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -2.873 11.858 -6.967 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -2.962 10.442 -8.041 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.463 12.021 -8.691 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -4.530 15.351 -8.754 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -3.194 14.217 -9.065 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -4.689 14.117 -10.026 1.00 63.33 H new ATOM 1973 N VAL A 119 -3.802 9.420 -10.460 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.403 8.013 -10.521 1.00 40.30 C ATOM 1975 C VAL A 119 -1.989 7.889 -9.921 1.00 12.04 C ATOM 1976 O VAL A 119 -0.995 8.094 -10.619 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.407 7.458 -11.978 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -2.923 5.991 -12.077 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.802 7.568 -12.617 1.00 31.10 C ATOM 0 H VAL A 119 -3.173 10.036 -10.975 1.00 14.52 H new ATOM 0 HA VAL A 119 -4.125 7.423 -9.955 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.698 8.081 -12.523 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -2.951 5.668 -13.118 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -1.902 5.919 -11.702 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.575 5.352 -11.481 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.769 7.172 -13.632 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.518 6.996 -12.027 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -5.108 8.614 -12.645 1.00 31.10 H new ATOM 1989 N PHE A 120 -1.938 7.571 -8.620 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.716 7.274 -7.876 1.00 3.10 C ATOM 1991 C PHE A 120 -0.312 5.804 -8.041 1.00 33.01 C ATOM 1992 O PHE A 120 -1.178 4.941 -8.174 1.00 5.04 O ATOM 1993 CB PHE A 120 -0.930 7.704 -6.414 1.00 54.44 C ATOM 1994 CG PHE A 120 0.129 7.349 -5.379 1.00 55.23 C ATOM 1995 CD1 PHE A 120 -0.084 6.312 -4.450 1.00 15.15 C ATOM 1996 CD2 PHE A 120 1.371 8.016 -5.375 1.00 34.05 C ATOM 1997 CE1 PHE A 120 0.872 6.027 -3.487 1.00 72.25 C ATOM 1998 CE2 PHE A 120 2.327 7.702 -4.420 1.00 11.14 C ATOM 1999 CZ PHE A 120 2.067 6.734 -3.461 1.00 21.32 C ATOM 0 H PHE A 120 -2.776 7.513 -8.042 1.00 54.22 H new ATOM 0 HA PHE A 120 0.128 7.839 -8.271 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.051 8.787 -6.404 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -1.874 7.275 -6.079 1.00 54.44 H new ATOM 0 HD1 PHE A 120 -0.997 5.736 -4.488 1.00 15.15 H new ATOM 0 HD2 PHE A 120 1.579 8.773 -6.117 1.00 34.05 H new ATOM 0 HE1 PHE A 120 0.687 5.254 -2.756 1.00 72.25 H new ATOM 0 HE2 PHE A 120 3.278 8.214 -4.423 1.00 11.14 H new ATOM 0 HZ PHE A 120 2.797 6.529 -2.691 1.00 21.32 H new ATOM 2009 N LYS A 121 1.001 5.546 -8.040 1.00 52.41 N ATOM 2010 CA LYS A 121 1.565 4.215 -8.240 1.00 73.41 C ATOM 2011 C LYS A 121 2.831 4.093 -7.386 1.00 64.01 C ATOM 2012 O LYS A 121 3.469 5.102 -7.100 1.00 13.03 O ATOM 2013 CB LYS A 121 1.793 4.001 -9.753 1.00 1.55 C ATOM 2014 CG LYS A 121 1.853 2.539 -10.235 1.00 70.32 C ATOM 2015 CD LYS A 121 3.257 1.916 -10.247 1.00 62.43 C ATOM 2016 CE LYS A 121 3.402 0.856 -11.350 1.00 24.15 C ATOM 2017 NZ LYS A 121 4.805 0.459 -11.534 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.707 6.268 -7.898 1.00 52.41 H new ATOM 0 HA LYS A 121 0.893 3.421 -7.914 1.00 73.41 H new ATOM 0 HB2 LYS A 121 0.993 4.507 -10.294 1.00 1.55 H new ATOM 0 HB3 LYS A 121 2.726 4.491 -10.031 1.00 1.55 H new ATOM 0 HG2 LYS A 121 1.209 1.935 -9.596 1.00 70.32 H new ATOM 0 HG3 LYS A 121 1.440 2.487 -11.243 1.00 70.32 H new ATOM 0 HD2 LYS A 121 4.001 2.699 -10.395 1.00 62.43 H new ATOM 0 HD3 LYS A 121 3.461 1.462 -9.277 1.00 62.43 H new ATOM 0 HE2 LYS A 121 2.805 -0.020 -11.095 1.00 24.15 H new ATOM 0 HE3 LYS A 121 3.008 1.248 -12.287 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 4.878 -0.193 -12.341 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 5.384 1.304 -11.718 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 5.147 -0.015 -10.674 1.00 62.52 H new ATOM 2031 N ARG A 122 3.130 2.865 -6.950 1.00 1.23 N ATOM 2032 CA ARG A 122 4.142 2.531 -5.952 1.00 45.20 C ATOM 2033 C ARG A 122 4.762 1.181 -6.316 1.00 21.25 C ATOM 2034 O ARG A 122 4.043 0.269 -6.720 1.00 54.25 O ATOM 2035 CB ARG A 122 3.452 2.460 -4.570 1.00 32.24 C ATOM 2036 CG ARG A 122 3.603 3.747 -3.749 1.00 3.01 C ATOM 2037 CD ARG A 122 4.851 3.770 -2.854 1.00 11.54 C ATOM 2038 NE ARG A 122 4.726 2.844 -1.719 1.00 34.20 N ATOM 2039 CZ ARG A 122 4.135 3.114 -0.541 1.00 63.42 C ATOM 2040 NH1 ARG A 122 3.676 4.340 -0.254 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 4.002 2.134 0.360 1.00 34.12 N ATOM 0 H ARG A 122 2.647 2.039 -7.303 1.00 1.23 H new ATOM 0 HA ARG A 122 4.931 3.283 -5.922 1.00 45.20 H new ATOM 0 HB2 ARG A 122 2.392 2.250 -4.711 1.00 32.24 H new ATOM 0 HB3 ARG A 122 3.870 1.626 -4.006 1.00 32.24 H new ATOM 0 HG2 ARG A 122 3.640 4.598 -4.429 1.00 3.01 H new ATOM 0 HG3 ARG A 122 2.718 3.875 -3.126 1.00 3.01 H new ATOM 0 HD2 ARG A 122 5.727 3.504 -3.445 1.00 11.54 H new ATOM 0 HD3 ARG A 122 5.013 4.782 -2.482 1.00 11.54 H new ATOM 0 HE ARG A 122 5.124 1.912 -1.835 1.00 34.20 H new ATOM 0 HH11 ARG A 122 3.771 5.093 -0.936 1.00 43.43 H new ATOM 0 HH12 ARG A 122 3.231 4.520 0.646 1.00 43.43 H new ATOM 0 HH21 ARG A 122 4.347 1.197 0.149 1.00 34.12 H new ATOM 0 HH22 ARG A 122 3.556 2.324 1.258 1.00 34.12 H new ATOM 2055 N ILE A 123 6.088 1.086 -6.141 1.00 44.02 N ATOM 2056 CA ILE A 123 6.868 -0.129 -6.342 1.00 1.53 C ATOM 2057 C ILE A 123 7.803 -0.280 -5.130 1.00 42.14 C ATOM 2058 O ILE A 123 8.516 0.663 -4.786 1.00 11.14 O ATOM 2059 CB ILE A 123 7.746 -0.089 -7.633 1.00 33.44 C ATOM 2060 CG1 ILE A 123 6.935 0.287 -8.901 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.455 -1.442 -7.869 1.00 11.42 C ATOM 2062 CD1 ILE A 123 6.828 1.799 -9.165 1.00 61.45 C ATOM 0 H ILE A 123 6.658 1.879 -5.847 1.00 44.02 H new ATOM 0 HA ILE A 123 6.173 -0.962 -6.451 1.00 1.53 H new ATOM 0 HB ILE A 123 8.488 0.691 -7.463 1.00 33.44 H new ATOM 0 HG12 ILE A 123 7.397 -0.188 -9.766 1.00 44.22 H new ATOM 0 HG13 ILE A 123 5.930 -0.125 -8.810 1.00 44.22 H new ATOM 0 HG21 ILE A 123 9.059 -1.383 -8.775 1.00 11.42 H new ATOM 0 HG22 ILE A 123 9.098 -1.669 -7.019 1.00 11.42 H new ATOM 0 HG23 ILE A 123 7.709 -2.229 -7.980 1.00 11.42 H new ATOM 0 HD11 ILE A 123 6.245 1.970 -10.070 1.00 61.45 H new ATOM 0 HD12 ILE A 123 6.337 2.282 -8.320 1.00 61.45 H new ATOM 0 HD13 ILE A 123 7.826 2.218 -9.292 1.00 61.45 H new ATOM 2074 N SER A 124 7.785 -1.475 -4.525 1.00 22.23 N ATOM 2075 CA SER A 124 8.652 -1.885 -3.421 1.00 32.50 C ATOM 2076 C SER A 124 9.209 -3.288 -3.736 1.00 25.54 C ATOM 2077 O SER A 124 8.589 -4.024 -4.501 1.00 1.51 O ATOM 2078 CB SER A 124 7.841 -1.875 -2.110 1.00 13.10 C ATOM 2079 OG SER A 124 7.464 -0.560 -1.762 1.00 34.43 O ATOM 0 H SER A 124 7.137 -2.211 -4.806 1.00 22.23 H new ATOM 0 HA SER A 124 9.489 -1.197 -3.301 1.00 32.50 H new ATOM 0 HB2 SER A 124 6.952 -2.495 -2.223 1.00 13.10 H new ATOM 0 HB3 SER A 124 8.434 -2.312 -1.307 1.00 13.10 H new ATOM 0 HG SER A 124 6.949 -0.577 -0.928 1.00 34.43 H new ATOM 2085 N LYS A 125 10.369 -3.637 -3.156 1.00 24.13 N ATOM 2086 CA LYS A 125 11.055 -4.908 -3.413 1.00 34.33 C ATOM 2087 C LYS A 125 11.631 -5.474 -2.110 1.00 1.52 C ATOM 2088 O LYS A 125 12.100 -4.706 -1.270 1.00 34.02 O ATOM 2089 CB LYS A 125 12.120 -4.705 -4.516 1.00 65.50 C ATOM 2090 CG LYS A 125 12.779 -5.994 -5.041 1.00 71.15 C ATOM 2091 CD LYS A 125 14.068 -6.413 -4.320 1.00 22.53 C ATOM 2092 CE LYS A 125 14.434 -7.876 -4.607 1.00 0.14 C ATOM 2093 NZ LYS A 125 15.600 -8.298 -3.815 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.859 -3.038 -2.491 1.00 24.13 H new ATOM 0 HA LYS A 125 10.349 -5.652 -3.782 1.00 34.33 H new ATOM 0 HB2 LYS A 125 11.656 -4.186 -5.355 1.00 65.50 H new ATOM 0 HB3 LYS A 125 12.900 -4.050 -4.128 1.00 65.50 H new ATOM 0 HG2 LYS A 125 12.058 -6.808 -4.964 1.00 71.15 H new ATOM 0 HG3 LYS A 125 13.001 -5.864 -6.100 1.00 71.15 H new ATOM 0 HD2 LYS A 125 14.887 -5.766 -4.634 1.00 22.53 H new ATOM 0 HD3 LYS A 125 13.945 -6.273 -3.246 1.00 22.53 H new ATOM 0 HE2 LYS A 125 13.584 -8.518 -4.378 1.00 0.14 H new ATOM 0 HE3 LYS A 125 14.649 -7.998 -5.669 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 15.793 -9.305 -3.991 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 16.429 -7.733 -4.089 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 15.403 -8.155 -2.804 1.00 21.45 H new ATOM 2107 N ARG A 126 11.575 -6.814 -1.984 1.00 63.52 N ATOM 2108 CA ARG A 126 11.863 -7.576 -0.768 1.00 41.42 C ATOM 2109 C ARG A 126 13.293 -7.390 -0.236 1.00 12.11 C ATOM 2110 O ARG A 126 14.258 -7.554 -0.984 1.00 24.21 O ATOM 2111 CB ARG A 126 11.511 -9.062 -0.994 1.00 33.20 C ATOM 2112 CG ARG A 126 11.629 -9.951 0.262 1.00 73.33 C ATOM 2113 CD ARG A 126 11.082 -11.375 0.077 1.00 13.21 C ATOM 2114 NE ARG A 126 9.610 -11.432 0.098 1.00 42.13 N ATOM 2115 CZ ARG A 126 8.871 -12.518 -0.195 1.00 14.43 C ATOM 2116 NH1 ARG A 126 9.441 -13.660 -0.607 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 7.540 -12.462 -0.073 1.00 4.03 N ATOM 0 H ARG A 126 11.316 -7.415 -2.766 1.00 63.52 H new ATOM 0 HA ARG A 126 11.230 -7.174 0.023 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.491 -9.126 -1.373 1.00 33.20 H new ATOM 0 HB3 ARG A 126 12.165 -9.462 -1.769 1.00 33.20 H new ATOM 0 HG2 ARG A 126 12.677 -10.011 0.554 1.00 73.33 H new ATOM 0 HG3 ARG A 126 11.096 -9.473 1.084 1.00 73.33 H new ATOM 0 HD2 ARG A 126 11.442 -11.777 -0.870 1.00 13.21 H new ATOM 0 HD3 ARG A 126 11.476 -12.015 0.866 1.00 13.21 H new ATOM 0 HE ARG A 126 9.111 -10.580 0.355 1.00 42.13 H new ATOM 0 HH11 ARG A 126 10.455 -13.718 -0.704 1.00 70.12 H new ATOM 0 HH12 ARG A 126 8.861 -14.470 -0.823 1.00 70.12 H new ATOM 0 HH21 ARG A 126 7.092 -11.601 0.240 1.00 4.03 H new ATOM 0 HH22 ARG A 126 6.973 -13.281 -0.293 1.00 4.03 H new ATOM 2131 N ILE A 127 13.373 -7.086 1.069 1.00 50.12 N ATOM 2132 CA ILE A 127 14.599 -6.875 1.848 1.00 3.32 C ATOM 2133 C ILE A 127 14.569 -7.844 3.024 1.00 21.41 C ATOM 2134 O ILE A 127 13.626 -8.586 3.315 1.00 22.53 O ATOM 2135 CB ILE A 127 14.735 -5.393 2.317 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.530 -4.875 3.150 1.00 43.04 C ATOM 2137 CG2 ILE A 127 15.025 -4.464 1.120 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.784 -3.570 3.921 1.00 0.24 C ATOM 0 H ILE A 127 12.535 -6.975 1.639 1.00 50.12 H new ATOM 0 HA ILE A 127 15.476 -7.069 1.230 1.00 3.32 H new ATOM 0 HB ILE A 127 15.586 -5.375 2.998 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.683 -4.724 2.480 1.00 43.04 H new ATOM 0 HG13 ILE A 127 13.240 -5.649 3.861 1.00 43.04 H new ATOM 0 HG21 ILE A 127 15.116 -3.436 1.471 1.00 2.02 H new ATOM 0 HG22 ILE A 127 15.956 -4.768 0.641 1.00 2.02 H new ATOM 0 HG23 ILE A 127 14.208 -4.531 0.401 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.885 -3.291 4.470 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.607 -3.715 4.621 1.00 0.24 H new ATOM 0 HD13 ILE A 127 14.041 -2.777 3.219 1.00 0.24 H new