USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1012 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 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.0652 X(o=-0.065,f=0.41) USER MOD Set 2.1: A 81 THR OG1 : rot -129:sc= 0.373 USER MOD Set 2.2: A 93 THR OG1 : rot 71:sc= 0.416 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.157 USER MOD Set 3.2: A 75 THR OG1 : rot -63:sc= 0.152 USER MOD Set 4.1: A 47 HIS : no HE2:sc= 0.0571 X(o=0.057,f=-0.29) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 9:sc= 0.414 USER MOD Single : A 8 GLN : amide:sc= 0.107 X(o=0.11,f=-0.00086) USER MOD Single : A 10 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.05) USER MOD Single : A 11 SER OG : rot 45:sc= 0.243 USER MOD Single : A 12 GLN : amide:sc= 0.128 K(o=0.13,f=-1.7) USER MOD Single : A 14 ASN : amide:sc= 0.373 K(o=0.37,f=-1.7!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.103 (180deg=-0.165) USER MOD Single : A 30 GLN : amide:sc= 0.661 K(o=0.66,f=-0.37) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 0.259 (180deg=0.152) USER MOD Single : A 33 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 -150:sc= 0.382 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 44 ASN : amide:sc=-0.00335 X(o=-0.0034,f=-0.39) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0179) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 39:sc= 0.147 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.242 F(o=-1,f=-0.24) USER MOD Single : A 61 ASN :FLIP amide:sc= 0.0127 F(o=-2.4!,f=0.013) USER MOD Single : A 69 CYS SG : rot 22:sc= -0.428 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.789) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0.657 (180deg=0.596) USER MOD Single : A 84 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.4) USER MOD Single : A 89 ASN : amide:sc= 0.541 K(o=0.54,f=-0.11) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 38:sc= 0.316 USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 97 ASN : amide:sc= 0.482 K(o=0.48,f=-3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= 0 F(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 113 MET CE :methyl 172:sc=-0.000696 (180deg=-0.105) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -150:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 3 5.184 -12.352 -3.805 1.00 51.23 N ATOM 158 CA PHE A 3 5.395 -10.902 -3.715 1.00 34.33 C ATOM 159 C PHE A 3 6.797 -10.490 -3.216 1.00 42.54 C ATOM 160 O PHE A 3 7.106 -9.299 -3.241 1.00 61.34 O ATOM 161 CB PHE A 3 4.288 -10.290 -2.830 1.00 42.50 C ATOM 162 CG PHE A 3 2.873 -10.399 -3.378 1.00 12.51 C ATOM 163 CD1 PHE A 3 2.287 -9.320 -4.075 1.00 54.13 C ATOM 164 CD2 PHE A 3 2.177 -11.624 -3.309 1.00 61.21 C ATOM 165 CE1 PHE A 3 1.013 -9.453 -4.616 1.00 50.13 C ATOM 166 CE2 PHE A 3 0.919 -11.745 -3.878 1.00 20.11 C ATOM 167 CZ PHE A 3 0.331 -10.657 -4.509 1.00 13.10 C ATOM 0 HA PHE A 3 5.338 -10.508 -4.730 1.00 34.33 H new ATOM 0 HB2 PHE A 3 4.319 -10.774 -1.854 1.00 42.50 H new ATOM 0 HB3 PHE A 3 4.516 -9.236 -2.670 1.00 42.50 H new ATOM 0 HD1 PHE A 3 2.828 -8.392 -4.188 1.00 54.13 H new ATOM 0 HD2 PHE A 3 2.626 -12.471 -2.811 1.00 61.21 H new ATOM 0 HE1 PHE A 3 0.553 -8.617 -5.121 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.395 -12.688 -3.830 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.664 -10.748 -4.919 1.00 13.10 H new ATOM 177 N SER A 4 7.612 -11.472 -2.787 1.00 10.11 N ATOM 178 CA SER A 4 8.997 -11.342 -2.340 1.00 51.31 C ATOM 179 C SER A 4 9.911 -10.702 -3.403 1.00 52.21 C ATOM 180 O SER A 4 10.038 -11.249 -4.498 1.00 3.23 O ATOM 181 CB SER A 4 9.509 -12.744 -1.952 1.00 73.10 C ATOM 182 OG SER A 4 8.865 -13.186 -0.774 1.00 35.45 O ATOM 0 H SER A 4 7.291 -12.439 -2.744 1.00 10.11 H new ATOM 0 HA SER A 4 9.023 -10.670 -1.482 1.00 51.31 H new ATOM 0 HB2 SER A 4 9.321 -13.446 -2.764 1.00 73.10 H new ATOM 0 HB3 SER A 4 10.588 -12.716 -1.798 1.00 73.10 H new ATOM 0 HG SER A 4 9.195 -14.078 -0.536 1.00 35.45 H new ATOM 188 N GLY A 5 10.535 -9.566 -3.054 1.00 0.50 N ATOM 189 CA GLY A 5 11.436 -8.830 -3.939 1.00 50.05 C ATOM 190 C GLY A 5 11.511 -7.361 -3.505 1.00 70.14 C ATOM 191 O GLY A 5 10.719 -6.904 -2.678 1.00 2.24 O ATOM 0 H GLY A 5 10.423 -9.132 -2.138 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.430 -9.277 -3.913 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.083 -8.896 -4.968 1.00 50.05 H new ATOM 195 N LYS A 6 12.462 -6.620 -4.097 1.00 53.11 N ATOM 196 CA LYS A 6 12.696 -5.196 -3.844 1.00 33.32 C ATOM 197 C LYS A 6 12.548 -4.426 -5.164 1.00 2.31 C ATOM 198 O LYS A 6 13.084 -4.874 -6.175 1.00 51.24 O ATOM 199 CB LYS A 6 14.098 -5.019 -3.219 1.00 34.34 C ATOM 200 CG LYS A 6 14.261 -3.725 -2.396 1.00 41.11 C ATOM 201 CD LYS A 6 15.377 -2.785 -2.858 1.00 73.43 C ATOM 202 CE LYS A 6 16.789 -3.377 -2.738 1.00 73.45 C ATOM 203 NZ LYS A 6 17.818 -2.372 -3.047 1.00 41.11 N1+ ATOM 0 H LYS A 6 13.106 -7.011 -4.785 1.00 53.11 H new ATOM 0 HA LYS A 6 11.966 -4.797 -3.140 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.309 -5.874 -2.577 1.00 34.34 H new ATOM 0 HB3 LYS A 6 14.843 -5.027 -4.015 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.318 -3.179 -2.419 1.00 41.11 H new ATOM 0 HG3 LYS A 6 14.446 -3.997 -1.357 1.00 41.11 H new ATOM 0 HD2 LYS A 6 15.198 -2.510 -3.897 1.00 73.43 H new ATOM 0 HD3 LYS A 6 15.329 -1.867 -2.272 1.00 73.43 H new ATOM 0 HE2 LYS A 6 16.941 -3.758 -1.728 1.00 73.45 H new ATOM 0 HE3 LYS A 6 16.889 -4.224 -3.417 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 18.761 -2.802 -2.957 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 17.686 -2.027 -4.019 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 17.736 -1.576 -2.383 1.00 41.11 H new ATOM 217 N TYR A 7 11.800 -3.311 -5.131 1.00 32.11 N ATOM 218 CA TYR A 7 11.302 -2.594 -6.306 1.00 30.14 C ATOM 219 C TYR A 7 11.539 -1.086 -6.147 1.00 32.15 C ATOM 220 O TYR A 7 11.027 -0.489 -5.199 1.00 20.05 O ATOM 221 CB TYR A 7 9.784 -2.867 -6.499 1.00 54.11 C ATOM 222 CG TYR A 7 9.314 -4.306 -6.345 1.00 71.04 C ATOM 223 CD1 TYR A 7 9.021 -4.818 -5.063 1.00 22.53 C ATOM 224 CD2 TYR A 7 9.148 -5.133 -7.474 1.00 32.01 C ATOM 225 CE1 TYR A 7 8.604 -6.152 -4.914 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.729 -6.470 -7.322 1.00 13.51 C ATOM 227 CZ TYR A 7 8.470 -6.985 -6.039 1.00 23.13 C ATOM 228 OH TYR A 7 8.083 -8.285 -5.887 1.00 1.12 O ATOM 0 H TYR A 7 11.518 -2.873 -4.254 1.00 32.11 H new ATOM 0 HA TYR A 7 11.843 -2.950 -7.183 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.236 -2.254 -5.783 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.502 -2.524 -7.494 1.00 54.11 H new ATOM 0 HD1 TYR A 7 9.117 -4.183 -4.194 1.00 22.53 H new ATOM 0 HD2 TYR A 7 9.343 -4.740 -8.461 1.00 32.01 H new ATOM 0 HE1 TYR A 7 8.385 -6.539 -3.930 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.607 -7.099 -8.191 1.00 13.51 H new ATOM 0 HH TYR A 7 7.797 -8.435 -4.962 1.00 1.12 H new ATOM 238 N GLN A 8 12.258 -0.477 -7.102 1.00 12.25 N ATOM 239 CA GLN A 8 12.422 0.978 -7.212 1.00 23.23 C ATOM 240 C GLN A 8 11.136 1.614 -7.777 1.00 74.20 C ATOM 241 O GLN A 8 10.423 0.953 -8.535 1.00 23.14 O ATOM 242 CB GLN A 8 13.651 1.257 -8.110 1.00 44.44 C ATOM 243 CG GLN A 8 13.452 0.974 -9.619 1.00 54.44 C ATOM 244 CD GLN A 8 14.676 0.353 -10.292 1.00 43.43 C ATOM 245 OE1 GLN A 8 15.740 0.963 -10.344 1.00 25.13 O ATOM 246 NE2 GLN A 8 14.525 -0.865 -10.819 1.00 32.20 N ATOM 0 H GLN A 8 12.750 -0.992 -7.832 1.00 12.25 H new ATOM 0 HA GLN A 8 12.592 1.425 -6.233 1.00 23.23 H new ATOM 0 HB2 GLN A 8 13.938 2.302 -7.989 1.00 44.44 H new ATOM 0 HB3 GLN A 8 14.485 0.654 -7.752 1.00 44.44 H new ATOM 0 HG2 GLN A 8 12.600 0.306 -9.746 1.00 54.44 H new ATOM 0 HG3 GLN A 8 13.203 1.907 -10.125 1.00 54.44 H new ATOM 0 HE21 GLN A 8 13.625 -1.340 -10.756 1.00 32.20 H new ATOM 0 HE22 GLN A 8 15.310 -1.320 -11.285 1.00 32.20 H new ATOM 255 N LEU A 9 10.877 2.893 -7.451 1.00 12.01 N ATOM 256 CA LEU A 9 9.808 3.667 -8.093 1.00 44.41 C ATOM 257 C LEU A 9 10.174 3.996 -9.550 1.00 23.42 C ATOM 258 O LEU A 9 11.310 4.384 -9.820 1.00 10.44 O ATOM 259 CB LEU A 9 9.497 4.958 -7.295 1.00 53.02 C ATOM 260 CG LEU A 9 8.078 5.006 -6.696 1.00 23.31 C ATOM 261 CD1 LEU A 9 7.899 6.261 -5.824 1.00 2.25 C ATOM 262 CD2 LEU A 9 6.990 4.928 -7.785 1.00 32.31 C ATOM 0 H LEU A 9 11.398 3.411 -6.743 1.00 12.01 H new ATOM 0 HA LEU A 9 8.906 3.055 -8.099 1.00 44.41 H new ATOM 0 HB2 LEU A 9 10.223 5.056 -6.488 1.00 53.02 H new ATOM 0 HB3 LEU A 9 9.631 5.818 -7.951 1.00 53.02 H new ATOM 0 HG LEU A 9 7.960 4.127 -6.063 1.00 23.31 H new ATOM 0 HD11 LEU A 9 6.891 6.276 -5.411 1.00 2.25 H new ATOM 0 HD12 LEU A 9 8.624 6.245 -5.011 1.00 2.25 H new ATOM 0 HD13 LEU A 9 8.055 7.152 -6.432 1.00 2.25 H new ATOM 0 HD21 LEU A 9 6.005 4.965 -7.319 1.00 32.31 H new ATOM 0 HD22 LEU A 9 7.099 5.769 -8.469 1.00 32.31 H new ATOM 0 HD23 LEU A 9 7.095 3.994 -8.338 1.00 32.31 H new ATOM 274 N GLN A 10 9.185 3.847 -10.443 1.00 4.02 N ATOM 275 CA GLN A 10 9.284 4.191 -11.859 1.00 40.12 C ATOM 276 C GLN A 10 8.436 5.431 -12.160 1.00 25.41 C ATOM 277 O GLN A 10 8.943 6.356 -12.793 1.00 51.02 O ATOM 278 CB GLN A 10 8.831 2.993 -12.725 1.00 23.21 C ATOM 279 CG GLN A 10 9.669 1.712 -12.545 1.00 11.14 C ATOM 280 CD GLN A 10 11.076 1.821 -13.136 1.00 73.23 C ATOM 281 OE1 GLN A 10 11.316 1.372 -14.253 1.00 22.21 O ATOM 282 NE2 GLN A 10 12.015 2.402 -12.389 1.00 4.53 N ATOM 0 H GLN A 10 8.271 3.473 -10.188 1.00 4.02 H new ATOM 0 HA GLN A 10 10.322 4.419 -12.101 1.00 40.12 H new ATOM 0 HB2 GLN A 10 7.791 2.766 -12.491 1.00 23.21 H new ATOM 0 HB3 GLN A 10 8.864 3.288 -13.774 1.00 23.21 H new ATOM 0 HG2 GLN A 10 9.746 1.483 -11.482 1.00 11.14 H new ATOM 0 HG3 GLN A 10 9.149 0.877 -13.014 1.00 11.14 H new ATOM 0 HE21 GLN A 10 11.780 2.764 -11.465 1.00 4.53 H new ATOM 0 HE22 GLN A 10 12.969 2.484 -12.742 1.00 4.53 H new ATOM 291 N SER A 11 7.176 5.434 -11.696 1.00 2.22 N ATOM 292 CA SER A 11 6.222 6.509 -11.946 1.00 31.44 C ATOM 293 C SER A 11 5.042 6.461 -10.969 1.00 60.01 C ATOM 294 O SER A 11 4.765 5.422 -10.368 1.00 44.20 O ATOM 295 CB SER A 11 5.739 6.464 -13.417 1.00 33.23 C ATOM 296 OG SER A 11 6.487 7.367 -14.202 1.00 42.42 O ATOM 0 H SER A 11 6.793 4.677 -11.130 1.00 2.22 H new ATOM 0 HA SER A 11 6.731 7.458 -11.778 1.00 31.44 H new ATOM 0 HB2 SER A 11 5.845 5.453 -13.812 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.680 6.717 -13.468 1.00 33.23 H new ATOM 0 HG SER A 11 7.438 7.281 -13.983 1.00 42.42 H new ATOM 302 N GLN A 12 4.365 7.610 -10.857 1.00 33.41 N ATOM 303 CA GLN A 12 3.116 7.798 -10.125 1.00 74.33 C ATOM 304 C GLN A 12 2.151 8.566 -11.041 1.00 1.03 C ATOM 305 O GLN A 12 2.603 9.353 -11.874 1.00 32.25 O ATOM 306 CB GLN A 12 3.355 8.626 -8.840 1.00 61.21 C ATOM 307 CG GLN A 12 4.417 8.085 -7.862 1.00 23.43 C ATOM 308 CD GLN A 12 5.783 8.762 -8.021 1.00 73.02 C ATOM 309 OE1 GLN A 12 6.651 8.269 -8.740 1.00 23.32 O ATOM 310 NE2 GLN A 12 5.986 9.894 -7.343 1.00 11.21 N ATOM 0 H GLN A 12 4.692 8.471 -11.296 1.00 33.41 H new ATOM 0 HA GLN A 12 2.708 6.829 -9.839 1.00 74.33 H new ATOM 0 HB2 GLN A 12 3.644 9.635 -9.133 1.00 61.21 H new ATOM 0 HB3 GLN A 12 2.409 8.707 -8.305 1.00 61.21 H new ATOM 0 HG2 GLN A 12 4.066 8.225 -6.840 1.00 23.43 H new ATOM 0 HG3 GLN A 12 4.530 7.012 -8.016 1.00 23.43 H new ATOM 0 HE21 GLN A 12 5.245 10.276 -6.755 1.00 11.21 H new ATOM 0 HE22 GLN A 12 6.882 10.377 -7.413 1.00 11.21 H new ATOM 319 N GLU A 13 0.844 8.373 -10.822 1.00 43.44 N ATOM 320 CA GLU A 13 -0.216 9.176 -11.436 1.00 42.23 C ATOM 321 C GLU A 13 -1.185 9.659 -10.356 1.00 20.52 C ATOM 322 O GLU A 13 -1.465 8.921 -9.413 1.00 74.05 O ATOM 323 CB GLU A 13 -0.953 8.372 -12.529 1.00 15.01 C ATOM 324 CG GLU A 13 -0.197 8.259 -13.870 1.00 12.24 C ATOM 325 CD GLU A 13 -0.015 9.586 -14.622 1.00 45.31 C ATOM 326 OE1 GLU A 13 -0.613 10.599 -14.197 1.00 24.51 O ATOM 327 OE2 GLU A 13 0.718 9.554 -15.634 1.00 1.35 O1- ATOM 0 H GLU A 13 0.490 7.643 -10.204 1.00 43.44 H new ATOM 0 HA GLU A 13 0.231 10.045 -11.918 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -1.148 7.368 -12.152 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -1.921 8.838 -12.712 1.00 15.01 H new ATOM 0 HG2 GLU A 13 0.786 7.827 -13.681 1.00 12.24 H new ATOM 0 HG3 GLU A 13 -0.733 7.563 -14.515 1.00 12.24 H new ATOM 334 N ASN A 14 -1.659 10.909 -10.521 1.00 43.13 N ATOM 335 CA ASN A 14 -2.475 11.667 -9.558 1.00 52.34 C ATOM 336 C ASN A 14 -1.787 11.866 -8.191 1.00 34.24 C ATOM 337 O ASN A 14 -2.487 12.068 -7.201 1.00 23.21 O ATOM 338 CB ASN A 14 -3.912 11.060 -9.448 1.00 31.51 C ATOM 339 CG ASN A 14 -5.013 11.856 -10.156 1.00 12.42 C ATOM 340 OD1 ASN A 14 -4.879 13.049 -10.424 1.00 10.54 O ATOM 341 ND2 ASN A 14 -6.146 11.203 -10.420 1.00 73.45 N ATOM 0 H ASN A 14 -1.473 11.442 -11.371 1.00 43.13 H new ATOM 0 HA ASN A 14 -2.581 12.678 -9.952 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -3.895 10.050 -9.858 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.172 10.971 -8.393 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -6.928 11.693 -10.855 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -6.230 10.213 -10.187 1.00 73.45 H new ATOM 348 N PHE A 15 -0.438 11.838 -8.158 1.00 24.15 N ATOM 349 CA PHE A 15 0.381 12.006 -6.953 1.00 23.43 C ATOM 350 C PHE A 15 0.049 13.288 -6.184 1.00 74.11 C ATOM 351 O PHE A 15 -0.280 13.207 -5.003 1.00 1.01 O ATOM 352 CB PHE A 15 1.887 11.907 -7.297 1.00 2.23 C ATOM 353 CG PHE A 15 2.833 12.045 -6.110 1.00 74.31 C ATOM 354 CD1 PHE A 15 3.194 10.909 -5.356 1.00 60.44 C ATOM 355 CD2 PHE A 15 3.201 13.321 -5.631 1.00 63.41 C ATOM 356 CE1 PHE A 15 3.930 11.049 -4.189 1.00 62.11 C ATOM 357 CE2 PHE A 15 3.922 13.444 -4.452 1.00 71.40 C ATOM 358 CZ PHE A 15 4.286 12.312 -3.735 1.00 21.22 C ATOM 0 H PHE A 15 0.122 11.693 -8.998 1.00 24.15 H new ATOM 0 HA PHE A 15 0.135 11.186 -6.279 1.00 23.43 H new ATOM 0 HB2 PHE A 15 2.071 10.947 -7.778 1.00 2.23 H new ATOM 0 HB3 PHE A 15 2.129 12.681 -8.026 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.896 9.926 -5.689 1.00 60.44 H new ATOM 0 HD2 PHE A 15 2.920 14.205 -6.184 1.00 63.41 H new ATOM 0 HE1 PHE A 15 4.227 10.173 -3.632 1.00 62.11 H new ATOM 0 HE2 PHE A 15 4.201 14.423 -4.091 1.00 71.40 H new ATOM 0 HZ PHE A 15 4.849 12.414 -2.819 1.00 21.22 H new ATOM 368 N GLU A 16 0.117 14.431 -6.883 1.00 41.43 N ATOM 369 CA GLU A 16 -0.149 15.739 -6.303 1.00 0.21 C ATOM 370 C GLU A 16 -1.615 15.926 -5.898 1.00 40.14 C ATOM 371 O GLU A 16 -1.847 16.384 -4.785 1.00 50.12 O ATOM 372 CB GLU A 16 0.321 16.860 -7.240 1.00 62.30 C ATOM 373 CG GLU A 16 1.830 16.814 -7.534 1.00 34.23 C ATOM 374 CD GLU A 16 2.303 18.108 -8.191 1.00 35.45 C ATOM 375 OE1 GLU A 16 2.546 18.080 -9.417 1.00 2.32 O ATOM 376 OE2 GLU A 16 2.412 19.106 -7.446 1.00 14.32 O1- ATOM 0 H GLU A 16 0.361 14.465 -7.873 1.00 41.43 H new ATOM 0 HA GLU A 16 0.430 15.796 -5.381 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -0.227 16.793 -8.180 1.00 62.30 H new ATOM 0 HB3 GLU A 16 0.074 17.824 -6.795 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.379 16.652 -6.607 1.00 34.23 H new ATOM 0 HG3 GLU A 16 2.051 15.970 -8.187 1.00 34.23 H new ATOM 383 N ALA A 17 -2.569 15.537 -6.762 1.00 41.43 N ATOM 384 CA ALA A 17 -4.011 15.627 -6.500 1.00 64.44 C ATOM 385 C ALA A 17 -4.464 14.823 -5.270 1.00 21.15 C ATOM 386 O ALA A 17 -5.282 15.322 -4.498 1.00 52.04 O ATOM 387 CB ALA A 17 -4.785 15.180 -7.746 1.00 51.43 C ATOM 0 H ALA A 17 -2.352 15.144 -7.678 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.229 16.670 -6.272 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -5.856 15.246 -7.553 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.527 15.826 -8.586 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.523 14.150 -7.987 1.00 51.43 H new ATOM 393 N PHE A 18 -3.889 13.621 -5.092 1.00 53.03 N ATOM 394 CA PHE A 18 -4.099 12.763 -3.929 1.00 1.40 C ATOM 395 C PHE A 18 -3.459 13.325 -2.651 1.00 42.54 C ATOM 396 O PHE A 18 -4.128 13.332 -1.622 1.00 24.03 O ATOM 397 CB PHE A 18 -3.654 11.322 -4.252 1.00 72.24 C ATOM 398 CG PHE A 18 -3.668 10.342 -3.089 1.00 64.31 C ATOM 399 CD1 PHE A 18 -4.880 9.756 -2.668 1.00 12.40 C ATOM 400 CD2 PHE A 18 -2.504 10.146 -2.313 1.00 3.02 C ATOM 401 CE1 PHE A 18 -4.901 8.954 -1.533 1.00 31.44 C ATOM 402 CE2 PHE A 18 -2.550 9.347 -1.181 1.00 22.13 C ATOM 403 CZ PHE A 18 -3.744 8.753 -0.793 1.00 41.52 C ATOM 0 H PHE A 18 -3.250 13.215 -5.775 1.00 53.03 H new ATOM 0 HA PHE A 18 -5.167 12.739 -3.711 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.300 10.931 -5.038 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.643 11.358 -4.659 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -5.788 9.930 -3.226 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -1.577 10.619 -2.602 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -5.823 8.484 -1.225 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -1.655 9.186 -0.599 1.00 22.13 H new ATOM 0 HZ PHE A 18 -3.772 8.131 0.090 1.00 41.52 H new ATOM 413 N MET A 19 -2.203 13.798 -2.747 1.00 55.30 N ATOM 414 CA MET A 19 -1.460 14.393 -1.634 1.00 10.14 C ATOM 415 C MET A 19 -2.075 15.719 -1.141 1.00 23.02 C ATOM 416 O MET A 19 -2.190 15.898 0.069 1.00 25.41 O ATOM 417 CB MET A 19 0.034 14.515 -1.973 1.00 3.32 C ATOM 418 CG MET A 19 0.762 13.163 -2.070 1.00 44.32 C ATOM 419 SD MET A 19 1.178 12.430 -0.466 1.00 31.24 S ATOM 420 CE MET A 19 1.603 10.753 -0.995 1.00 45.12 C ATOM 0 H MET A 19 -1.672 13.774 -3.617 1.00 55.30 H new ATOM 0 HA MET A 19 -1.545 13.711 -0.788 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.140 15.043 -2.921 1.00 3.32 H new ATOM 0 HB3 MET A 19 0.521 15.125 -1.212 1.00 3.32 H new ATOM 0 HG2 MET A 19 0.136 12.464 -2.625 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.678 13.296 -2.645 1.00 44.32 H new ATOM 0 HE1 MET A 19 1.886 10.158 -0.127 1.00 45.12 H new ATOM 0 HE2 MET A 19 0.742 10.296 -1.483 1.00 45.12 H new ATOM 0 HE3 MET A 19 2.437 10.793 -1.695 1.00 45.12 H new ATOM 430 N LYS A 20 -2.539 16.580 -2.066 1.00 5.12 N ATOM 431 CA LYS A 20 -3.361 17.758 -1.765 1.00 70.21 C ATOM 432 C LYS A 20 -4.687 17.404 -1.056 1.00 45.31 C ATOM 433 O LYS A 20 -5.078 18.130 -0.143 1.00 54.35 O ATOM 434 CB LYS A 20 -3.633 18.595 -3.045 1.00 21.54 C ATOM 435 CG LYS A 20 -2.629 19.732 -3.358 1.00 73.32 C ATOM 436 CD LYS A 20 -1.578 19.425 -4.440 1.00 31.42 C ATOM 437 CE LYS A 20 -0.772 20.673 -4.836 1.00 14.14 C ATOM 438 NZ LYS A 20 0.187 20.398 -5.918 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.347 16.470 -3.062 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.781 18.362 -1.067 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.655 17.916 -3.897 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -4.628 19.033 -2.960 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -3.192 20.613 -3.666 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -2.108 19.993 -2.437 1.00 73.32 H new ATOM 0 HD2 LYS A 20 -0.898 18.655 -4.075 1.00 31.42 H new ATOM 0 HD3 LYS A 20 -2.074 19.020 -5.322 1.00 31.42 H new ATOM 0 HE2 LYS A 20 -1.457 21.460 -5.152 1.00 14.14 H new ATOM 0 HE3 LYS A 20 -0.235 21.048 -3.964 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 0.832 21.207 -6.024 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 0.736 19.546 -5.687 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 -0.328 20.247 -6.809 1.00 71.41 H new ATOM 452 N ALA A 21 -5.338 16.300 -1.472 1.00 70.25 N ATOM 453 CA ALA A 21 -6.613 15.837 -0.920 1.00 31.14 C ATOM 454 C ALA A 21 -6.524 15.264 0.506 1.00 31.42 C ATOM 455 O ALA A 21 -7.426 15.537 1.297 1.00 52.22 O ATOM 456 CB ALA A 21 -7.259 14.826 -1.871 1.00 4.31 C ATOM 0 H ALA A 21 -4.981 15.699 -2.215 1.00 70.25 H new ATOM 0 HA ALA A 21 -7.240 16.724 -0.831 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -8.207 14.487 -1.453 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.437 15.298 -2.837 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.594 13.972 -2.001 1.00 4.31 H new ATOM 462 N ILE A 22 -5.439 14.532 0.830 1.00 64.42 N ATOM 463 CA ILE A 22 -5.146 14.078 2.201 1.00 53.33 C ATOM 464 C ILE A 22 -4.571 15.188 3.114 1.00 74.23 C ATOM 465 O ILE A 22 -4.376 14.938 4.302 1.00 51.23 O ATOM 466 CB ILE A 22 -4.220 12.824 2.253 1.00 34.13 C ATOM 467 CG1 ILE A 22 -2.846 13.018 1.592 1.00 63.24 C ATOM 468 CG2 ILE A 22 -4.933 11.588 1.684 1.00 10.14 C ATOM 469 CD1 ILE A 22 -1.857 11.869 1.836 1.00 61.52 C ATOM 0 H ILE A 22 -4.741 14.240 0.146 1.00 64.42 H new ATOM 0 HA ILE A 22 -6.123 13.796 2.593 1.00 53.33 H new ATOM 0 HB ILE A 22 -4.012 12.665 3.311 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -2.987 13.138 0.518 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -2.406 13.944 1.961 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -4.265 10.728 1.732 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -5.830 11.384 2.269 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -5.211 11.774 0.647 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -0.914 12.088 1.335 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -1.682 11.761 2.906 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -2.272 10.942 1.440 1.00 61.52 H new ATOM 481 N GLY A 23 -4.374 16.404 2.570 1.00 43.03 N ATOM 482 CA GLY A 23 -4.098 17.611 3.345 1.00 24.22 C ATOM 483 C GLY A 23 -2.611 17.792 3.669 1.00 33.24 C ATOM 484 O GLY A 23 -2.296 18.446 4.660 1.00 54.20 O ATOM 0 H GLY A 23 -4.404 16.569 1.564 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -4.451 18.480 2.790 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -4.665 17.575 4.276 1.00 24.22 H new ATOM 488 N LEU A 24 -1.701 17.227 2.854 1.00 41.30 N ATOM 489 CA LEU A 24 -0.251 17.407 2.991 1.00 1.32 C ATOM 490 C LEU A 24 0.136 18.821 2.502 1.00 71.32 C ATOM 491 O LEU A 24 -0.456 19.294 1.530 1.00 51.04 O ATOM 492 CB LEU A 24 0.483 16.314 2.170 1.00 61.22 C ATOM 493 CG LEU A 24 0.819 15.009 2.935 1.00 65.05 C ATOM 494 CD1 LEU A 24 2.140 15.106 3.718 1.00 2.04 C ATOM 495 CD2 LEU A 24 -0.317 14.443 3.811 1.00 64.15 C ATOM 0 H LEU A 24 -1.960 16.625 2.072 1.00 41.30 H new ATOM 0 HA LEU A 24 0.043 17.309 4.036 1.00 1.32 H new ATOM 0 HB2 LEU A 24 -0.133 16.059 1.307 1.00 61.22 H new ATOM 0 HB3 LEU A 24 1.411 16.737 1.785 1.00 61.22 H new ATOM 0 HG LEU A 24 0.948 14.275 2.140 1.00 65.05 H new ATOM 0 HD11 LEU A 24 2.326 14.165 4.235 1.00 2.04 H new ATOM 0 HD12 LEU A 24 2.958 15.309 3.027 1.00 2.04 H new ATOM 0 HD13 LEU A 24 2.072 15.913 4.447 1.00 2.04 H new ATOM 0 HD21 LEU A 24 0.022 13.531 4.302 1.00 64.15 H new ATOM 0 HD22 LEU A 24 -0.596 15.179 4.565 1.00 64.15 H new ATOM 0 HD23 LEU A 24 -1.181 14.219 3.186 1.00 64.15 H new ATOM 507 N PRO A 25 1.112 19.477 3.174 1.00 51.42 N ATOM 508 CA PRO A 25 1.630 20.789 2.742 1.00 64.41 C ATOM 509 C PRO A 25 2.408 20.682 1.421 1.00 52.34 C ATOM 510 O PRO A 25 2.999 19.634 1.147 1.00 25.31 O ATOM 511 CB PRO A 25 2.536 21.215 3.907 1.00 42.32 C ATOM 512 CG PRO A 25 3.056 19.907 4.474 1.00 45.43 C ATOM 513 CD PRO A 25 1.857 18.975 4.330 1.00 10.24 C ATOM 0 HA PRO A 25 0.840 21.512 2.539 1.00 64.41 H new ATOM 0 HB2 PRO A 25 3.351 21.852 3.565 1.00 42.32 H new ATOM 0 HB3 PRO A 25 1.982 21.781 4.656 1.00 42.32 H new ATOM 0 HG2 PRO A 25 3.921 19.542 3.920 1.00 45.43 H new ATOM 0 HG3 PRO A 25 3.364 20.011 5.514 1.00 45.43 H new ATOM 0 HD2 PRO A 25 2.177 17.945 4.174 1.00 10.24 H new ATOM 0 HD3 PRO A 25 1.241 18.985 5.229 1.00 10.24 H new ATOM 521 N GLU A 26 2.377 21.761 0.625 1.00 15.43 N ATOM 522 CA GLU A 26 2.953 21.803 -0.720 1.00 32.41 C ATOM 523 C GLU A 26 4.469 21.523 -0.792 1.00 20.45 C ATOM 524 O GLU A 26 4.913 21.008 -1.813 1.00 41.02 O ATOM 525 CB GLU A 26 2.485 23.082 -1.446 1.00 40.32 C ATOM 526 CG GLU A 26 2.909 23.166 -2.930 1.00 11.11 C ATOM 527 CD GLU A 26 2.226 24.288 -3.720 1.00 71.15 C ATOM 528 OE1 GLU A 26 1.105 24.685 -3.334 1.00 30.22 O ATOM 529 OE2 GLU A 26 2.830 24.706 -4.731 1.00 51.31 O1- ATOM 0 H GLU A 26 1.943 22.641 0.905 1.00 15.43 H new ATOM 0 HA GLU A 26 2.560 20.951 -1.274 1.00 32.41 H new ATOM 0 HB2 GLU A 26 1.398 23.141 -1.388 1.00 40.32 H new ATOM 0 HB3 GLU A 26 2.880 23.950 -0.918 1.00 40.32 H new ATOM 0 HG2 GLU A 26 3.989 23.308 -2.980 1.00 11.11 H new ATOM 0 HG3 GLU A 26 2.691 22.213 -3.412 1.00 11.11 H new ATOM 536 N GLU A 27 5.220 21.766 0.297 1.00 72.42 N ATOM 537 CA GLU A 27 6.627 21.372 0.416 1.00 12.31 C ATOM 538 C GLU A 27 6.840 19.845 0.439 1.00 42.50 C ATOM 539 O GLU A 27 7.693 19.356 -0.301 1.00 21.24 O ATOM 540 CB GLU A 27 7.283 22.098 1.608 1.00 3.21 C ATOM 541 CG GLU A 27 8.757 21.704 1.844 1.00 35.22 C ATOM 542 CD GLU A 27 9.469 22.653 2.805 1.00 64.24 C ATOM 543 OE1 GLU A 27 8.960 22.820 3.935 1.00 75.20 O ATOM 544 OE2 GLU A 27 10.513 23.198 2.387 1.00 2.32 O1- ATOM 0 H GLU A 27 4.861 22.245 1.123 1.00 72.42 H new ATOM 0 HA GLU A 27 7.136 21.694 -0.492 1.00 12.31 H new ATOM 0 HB2 GLU A 27 7.227 23.174 1.442 1.00 3.21 H new ATOM 0 HB3 GLU A 27 6.711 21.885 2.511 1.00 3.21 H new ATOM 0 HG2 GLU A 27 8.800 20.690 2.242 1.00 35.22 H new ATOM 0 HG3 GLU A 27 9.284 21.695 0.890 1.00 35.22 H new ATOM 551 N LEU A 28 6.039 19.119 1.244 1.00 51.31 N ATOM 552 CA LEU A 28 6.046 17.652 1.291 1.00 65.54 C ATOM 553 C LEU A 28 5.514 17.005 -0.004 1.00 32.34 C ATOM 554 O LEU A 28 5.931 15.887 -0.314 1.00 40.54 O ATOM 555 CB LEU A 28 5.275 17.138 2.531 1.00 15.54 C ATOM 556 CG LEU A 28 5.944 17.453 3.891 1.00 40.12 C ATOM 557 CD1 LEU A 28 5.108 16.906 5.060 1.00 40.45 C ATOM 558 CD2 LEU A 28 7.377 16.901 3.985 1.00 71.15 C ATOM 0 H LEU A 28 5.366 19.542 1.883 1.00 51.31 H new ATOM 0 HA LEU A 28 7.089 17.347 1.378 1.00 65.54 H new ATOM 0 HB2 LEU A 28 4.275 17.572 2.525 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.154 16.058 2.444 1.00 15.54 H new ATOM 0 HG LEU A 28 5.997 18.540 3.959 1.00 40.12 H new ATOM 0 HD11 LEU A 28 5.602 17.142 6.002 1.00 40.45 H new ATOM 0 HD12 LEU A 28 4.118 17.363 5.045 1.00 40.45 H new ATOM 0 HD13 LEU A 28 5.010 15.825 4.963 1.00 40.45 H new ATOM 0 HD21 LEU A 28 7.800 17.150 4.958 1.00 71.15 H new ATOM 0 HD22 LEU A 28 7.358 15.818 3.864 1.00 71.15 H new ATOM 0 HD23 LEU A 28 7.990 17.344 3.200 1.00 71.15 H new ATOM 570 N ILE A 29 4.658 17.725 -0.750 1.00 13.23 N ATOM 571 CA ILE A 29 4.186 17.330 -2.077 1.00 61.03 C ATOM 572 C ILE A 29 5.300 17.488 -3.129 1.00 61.24 C ATOM 573 O ILE A 29 5.583 16.510 -3.817 1.00 44.33 O ATOM 574 CB ILE A 29 2.926 18.124 -2.537 1.00 42.33 C ATOM 575 CG1 ILE A 29 1.745 17.905 -1.568 1.00 62.41 C ATOM 576 CG2 ILE A 29 2.475 17.791 -3.981 1.00 63.41 C ATOM 577 CD1 ILE A 29 0.645 18.970 -1.649 1.00 23.43 C ATOM 0 H ILE A 29 4.271 18.615 -0.436 1.00 13.23 H new ATOM 0 HA ILE A 29 3.903 16.281 -1.993 1.00 61.03 H new ATOM 0 HB ILE A 29 3.226 19.172 -2.526 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.303 16.929 -1.770 1.00 62.41 H new ATOM 0 HG13 ILE A 29 2.130 17.876 -0.549 1.00 62.41 H new ATOM 0 HG21 ILE A 29 1.593 18.381 -4.232 1.00 63.41 H new ATOM 0 HG22 ILE A 29 3.280 18.027 -4.677 1.00 63.41 H new ATOM 0 HG23 ILE A 29 2.234 16.730 -4.051 1.00 63.41 H new ATOM 0 HD11 ILE A 29 -0.143 18.735 -0.933 1.00 23.43 H new ATOM 0 HD12 ILE A 29 1.067 19.947 -1.416 1.00 23.43 H new ATOM 0 HD13 ILE A 29 0.228 18.986 -2.656 1.00 23.43 H new ATOM 589 N GLN A 30 5.922 18.682 -3.223 1.00 73.04 N ATOM 590 CA GLN A 30 6.972 18.990 -4.200 1.00 71.00 C ATOM 591 C GLN A 30 8.242 18.142 -4.041 1.00 2.13 C ATOM 592 O GLN A 30 8.738 17.640 -5.047 1.00 63.11 O ATOM 593 CB GLN A 30 7.319 20.502 -4.230 1.00 31.43 C ATOM 594 CG GLN A 30 6.259 21.476 -4.804 1.00 43.50 C ATOM 595 CD GLN A 30 5.467 20.943 -5.998 1.00 43.21 C ATOM 596 OE1 GLN A 30 5.992 20.844 -7.106 1.00 42.35 O ATOM 597 NE2 GLN A 30 4.205 20.584 -5.766 1.00 51.30 N ATOM 0 H GLN A 30 5.701 19.467 -2.610 1.00 73.04 H new ATOM 0 HA GLN A 30 6.542 18.717 -5.164 1.00 71.00 H new ATOM 0 HB2 GLN A 30 7.543 20.814 -3.210 1.00 31.43 H new ATOM 0 HB3 GLN A 30 8.234 20.624 -4.809 1.00 31.43 H new ATOM 0 HG2 GLN A 30 5.559 21.735 -4.010 1.00 43.50 H new ATOM 0 HG3 GLN A 30 6.759 22.398 -5.102 1.00 43.50 H new ATOM 0 HE21 GLN A 30 3.810 20.683 -4.831 1.00 51.30 H new ATOM 0 HE22 GLN A 30 3.634 20.210 -6.524 1.00 51.30 H new ATOM 606 N LYS A 31 8.710 17.938 -2.795 1.00 15.24 N ATOM 607 CA LYS A 31 9.832 17.040 -2.504 1.00 32.41 C ATOM 608 C LYS A 31 9.454 15.557 -2.716 1.00 15.54 C ATOM 609 O LYS A 31 10.348 14.746 -2.941 1.00 25.33 O ATOM 610 CB LYS A 31 10.401 17.348 -1.095 1.00 61.25 C ATOM 611 CG LYS A 31 9.666 16.715 0.104 1.00 25.12 C ATOM 612 CD LYS A 31 10.268 15.366 0.546 1.00 14.14 C ATOM 613 CE LYS A 31 9.390 14.572 1.520 1.00 54.24 C ATOM 614 NZ LYS A 31 8.115 14.164 0.900 1.00 12.45 N1+ ATOM 0 H LYS A 31 8.320 18.391 -1.969 1.00 15.24 H new ATOM 0 HA LYS A 31 10.634 17.226 -3.219 1.00 32.41 H new ATOM 0 HB2 LYS A 31 11.440 17.020 -1.069 1.00 61.25 H new ATOM 0 HB3 LYS A 31 10.405 18.429 -0.959 1.00 61.25 H new ATOM 0 HG2 LYS A 31 9.691 17.409 0.944 1.00 25.12 H new ATOM 0 HG3 LYS A 31 8.618 16.569 -0.157 1.00 25.12 H new ATOM 0 HD2 LYS A 31 10.452 14.756 -0.339 1.00 14.14 H new ATOM 0 HD3 LYS A 31 11.235 15.549 1.014 1.00 14.14 H new ATOM 0 HE2 LYS A 31 9.930 13.687 1.857 1.00 54.24 H new ATOM 0 HE3 LYS A 31 9.187 15.178 2.403 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 7.625 13.491 1.524 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 7.516 15.002 0.755 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 8.304 13.711 -0.017 1.00 12.45 H new ATOM 628 N GLY A 32 8.153 15.228 -2.649 1.00 25.23 N ATOM 629 CA GLY A 32 7.632 13.876 -2.837 1.00 2.20 C ATOM 630 C GLY A 32 7.507 13.496 -4.320 1.00 32.41 C ATOM 631 O GLY A 32 7.599 12.307 -4.624 1.00 51.50 O ATOM 0 H GLY A 32 7.423 15.915 -2.458 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.288 13.164 -2.337 1.00 2.20 H new ATOM 0 HA3 GLY A 32 6.655 13.797 -2.361 1.00 2.20 H new ATOM 635 N LYS A 33 7.297 14.466 -5.232 1.00 23.43 N ATOM 636 CA LYS A 33 7.193 14.224 -6.675 1.00 13.23 C ATOM 637 C LYS A 33 8.529 14.357 -7.424 1.00 61.53 C ATOM 638 O LYS A 33 8.665 13.675 -8.441 1.00 51.30 O ATOM 639 CB LYS A 33 6.073 15.063 -7.338 1.00 51.13 C ATOM 640 CG LYS A 33 6.073 16.567 -7.025 1.00 0.44 C ATOM 641 CD LYS A 33 5.803 17.483 -8.223 1.00 73.42 C ATOM 642 CE LYS A 33 7.065 17.791 -9.038 1.00 35.11 C ATOM 643 NZ LYS A 33 6.792 18.825 -10.050 1.00 72.55 N1+ ATOM 0 H LYS A 33 7.194 15.449 -4.979 1.00 23.43 H new ATOM 0 HA LYS A 33 6.907 13.176 -6.765 1.00 13.23 H new ATOM 0 HB2 LYS A 33 6.146 14.938 -8.418 1.00 51.13 H new ATOM 0 HB3 LYS A 33 5.111 14.650 -7.034 1.00 51.13 H new ATOM 0 HG2 LYS A 33 5.320 16.763 -6.261 1.00 0.44 H new ATOM 0 HG3 LYS A 33 7.039 16.832 -6.596 1.00 0.44 H new ATOM 0 HD2 LYS A 33 5.063 17.014 -8.872 1.00 73.42 H new ATOM 0 HD3 LYS A 33 5.369 18.418 -7.868 1.00 73.42 H new ATOM 0 HE2 LYS A 33 7.860 18.127 -8.373 1.00 35.11 H new ATOM 0 HE3 LYS A 33 7.420 16.883 -9.525 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 7.659 19.019 -10.591 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 6.048 18.491 -10.696 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 6.475 19.697 -9.579 1.00 72.55 H new ATOM 657 N ASP A 34 9.488 15.181 -6.948 1.00 50.54 N ATOM 658 CA ASP A 34 10.803 15.287 -7.604 1.00 73.22 C ATOM 659 C ASP A 34 11.722 14.113 -7.193 1.00 31.32 C ATOM 660 O ASP A 34 12.479 13.637 -8.039 1.00 61.12 O ATOM 661 CB ASP A 34 11.494 16.673 -7.475 1.00 22.05 C ATOM 662 CG ASP A 34 12.112 17.063 -6.126 1.00 5.32 C ATOM 663 OD1 ASP A 34 11.567 17.980 -5.479 1.00 31.22 O ATOM 664 OD2 ASP A 34 13.201 16.525 -5.831 1.00 3.34 O1- ATOM 0 H ASP A 34 9.376 15.773 -6.125 1.00 50.54 H new ATOM 0 HA ASP A 34 10.606 15.205 -8.673 1.00 73.22 H new ATOM 0 HB2 ASP A 34 12.282 16.721 -8.226 1.00 22.05 H new ATOM 0 HB3 ASP A 34 10.759 17.435 -7.735 1.00 22.05 H new ATOM 669 N ILE A 35 11.613 13.648 -5.934 1.00 12.23 N ATOM 670 CA ILE A 35 12.375 12.516 -5.402 1.00 41.32 C ATOM 671 C ILE A 35 11.541 11.230 -5.570 1.00 25.42 C ATOM 672 O ILE A 35 10.436 11.153 -5.028 1.00 2.34 O ATOM 673 CB ILE A 35 12.705 12.680 -3.880 1.00 45.03 C ATOM 674 CG1 ILE A 35 13.429 14.015 -3.580 1.00 53.41 C ATOM 675 CG2 ILE A 35 13.518 11.497 -3.306 1.00 41.45 C ATOM 676 CD1 ILE A 35 13.592 14.332 -2.084 1.00 5.42 C ATOM 0 H ILE A 35 10.979 14.061 -5.250 1.00 12.23 H new ATOM 0 HA ILE A 35 13.314 12.468 -5.954 1.00 41.32 H new ATOM 0 HB ILE A 35 11.738 12.689 -3.377 1.00 45.03 H new ATOM 0 HG12 ILE A 35 14.416 13.990 -4.042 1.00 53.41 H new ATOM 0 HG13 ILE A 35 12.876 14.827 -4.052 1.00 53.41 H new ATOM 0 HG21 ILE A 35 13.715 11.670 -2.248 1.00 41.45 H new ATOM 0 HG22 ILE A 35 12.950 10.574 -3.423 1.00 41.45 H new ATOM 0 HG23 ILE A 35 14.463 11.411 -3.842 1.00 41.45 H new ATOM 0 HD11 ILE A 35 14.109 15.284 -1.968 1.00 5.42 H new ATOM 0 HD12 ILE A 35 12.610 14.393 -1.616 1.00 5.42 H new ATOM 0 HD13 ILE A 35 14.173 13.543 -1.606 1.00 5.42 H new ATOM 688 N LYS A 36 12.103 10.233 -6.276 1.00 22.42 N ATOM 689 CA LYS A 36 11.599 8.856 -6.282 1.00 71.21 C ATOM 690 C LYS A 36 12.140 8.074 -5.071 1.00 4.44 C ATOM 691 O LYS A 36 13.290 8.271 -4.676 1.00 43.34 O ATOM 692 CB LYS A 36 11.974 8.140 -7.601 1.00 63.15 C ATOM 693 CG LYS A 36 10.892 8.182 -8.696 1.00 0.11 C ATOM 694 CD LYS A 36 10.847 9.462 -9.535 1.00 54.43 C ATOM 695 CE LYS A 36 9.807 9.339 -10.662 1.00 3.34 C ATOM 696 NZ LYS A 36 9.842 10.499 -11.565 1.00 51.25 N1+ ATOM 0 H LYS A 36 12.927 10.366 -6.862 1.00 22.42 H new ATOM 0 HA LYS A 36 10.512 8.893 -6.210 1.00 71.21 H new ATOM 0 HB2 LYS A 36 12.885 8.590 -7.995 1.00 63.15 H new ATOM 0 HB3 LYS A 36 12.204 7.098 -7.378 1.00 63.15 H new ATOM 0 HG2 LYS A 36 11.045 7.336 -9.366 1.00 0.11 H new ATOM 0 HG3 LYS A 36 9.919 8.044 -8.225 1.00 0.11 H new ATOM 0 HD2 LYS A 36 10.601 10.312 -8.898 1.00 54.43 H new ATOM 0 HD3 LYS A 36 11.831 9.658 -9.961 1.00 54.43 H new ATOM 0 HE2 LYS A 36 9.994 8.429 -11.232 1.00 3.34 H new ATOM 0 HE3 LYS A 36 8.811 9.245 -10.229 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 9.127 10.380 -12.311 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 9.639 11.365 -11.026 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 10.785 10.574 -11.997 1.00 51.25 H new ATOM 710 N GLY A 37 11.296 7.177 -4.541 1.00 2.05 N ATOM 711 CA GLY A 37 11.619 6.297 -3.421 1.00 32.21 C ATOM 712 C GLY A 37 11.927 4.877 -3.917 1.00 11.23 C ATOM 713 O GLY A 37 12.211 4.643 -5.093 1.00 34.23 O ATOM 0 H GLY A 37 10.348 7.044 -4.892 1.00 2.05 H new ATOM 0 HA2 GLY A 37 12.478 6.692 -2.878 1.00 32.21 H new ATOM 0 HA3 GLY A 37 10.784 6.270 -2.721 1.00 32.21 H new ATOM 717 N VAL A 38 11.878 3.929 -2.974 1.00 23.15 N ATOM 718 CA VAL A 38 12.028 2.488 -3.177 1.00 73.42 C ATOM 719 C VAL A 38 11.074 1.779 -2.193 1.00 44.22 C ATOM 720 O VAL A 38 10.779 2.324 -1.133 1.00 3.40 O ATOM 721 CB VAL A 38 13.494 2.019 -2.896 1.00 61.42 C ATOM 722 CG1 VAL A 38 13.715 0.495 -3.005 1.00 1.10 C ATOM 723 CG2 VAL A 38 14.525 2.726 -3.798 1.00 41.14 C ATOM 0 H VAL A 38 11.724 4.163 -1.993 1.00 23.15 H new ATOM 0 HA VAL A 38 11.794 2.243 -4.213 1.00 73.42 H new ATOM 0 HB VAL A 38 13.650 2.304 -1.856 1.00 61.42 H new ATOM 0 HG11 VAL A 38 14.759 0.263 -2.794 1.00 1.10 H new ATOM 0 HG12 VAL A 38 13.077 -0.018 -2.285 1.00 1.10 H new ATOM 0 HG13 VAL A 38 13.466 0.162 -4.013 1.00 1.10 H new ATOM 0 HG21 VAL A 38 15.525 2.363 -3.561 1.00 41.14 H new ATOM 0 HG22 VAL A 38 14.300 2.514 -4.843 1.00 41.14 H new ATOM 0 HG23 VAL A 38 14.480 3.802 -3.629 1.00 41.14 H new ATOM 733 N SER A 39 10.616 0.570 -2.542 1.00 55.12 N ATOM 734 CA SER A 39 9.848 -0.298 -1.651 1.00 32.20 C ATOM 735 C SER A 39 10.417 -1.719 -1.702 1.00 25.20 C ATOM 736 O SER A 39 10.886 -2.143 -2.755 1.00 12.25 O ATOM 737 CB SER A 39 8.362 -0.294 -2.068 1.00 61.43 C ATOM 738 OG SER A 39 7.673 0.787 -1.473 1.00 30.44 O ATOM 0 H SER A 39 10.773 0.165 -3.465 1.00 55.12 H new ATOM 0 HA SER A 39 9.922 0.073 -0.629 1.00 32.20 H new ATOM 0 HB2 SER A 39 8.285 -0.226 -3.153 1.00 61.43 H new ATOM 0 HB3 SER A 39 7.895 -1.234 -1.774 1.00 61.43 H new ATOM 0 HG SER A 39 6.735 0.540 -1.334 1.00 30.44 H new ATOM 744 N GLU A 40 10.311 -2.449 -0.583 1.00 0.52 N ATOM 745 CA GLU A 40 10.538 -3.889 -0.541 1.00 41.33 C ATOM 746 C GLU A 40 9.278 -4.550 0.014 1.00 33.01 C ATOM 747 O GLU A 40 8.675 -4.040 0.953 1.00 10.34 O ATOM 748 CB GLU A 40 11.814 -4.229 0.258 1.00 3.20 C ATOM 749 CG GLU A 40 12.258 -5.697 0.076 1.00 1.11 C ATOM 750 CD GLU A 40 13.597 -6.058 0.723 1.00 53.23 C ATOM 751 OE1 GLU A 40 14.287 -5.139 1.214 1.00 2.42 O ATOM 752 OE2 GLU A 40 13.922 -7.264 0.678 1.00 22.13 O1- ATOM 0 H GLU A 40 10.063 -2.048 0.322 1.00 0.52 H new ATOM 0 HA GLU A 40 10.719 -4.282 -1.542 1.00 41.33 H new ATOM 0 HB2 GLU A 40 12.622 -3.568 -0.056 1.00 3.20 H new ATOM 0 HB3 GLU A 40 11.637 -4.036 1.316 1.00 3.20 H new ATOM 0 HG2 GLU A 40 11.486 -6.347 0.489 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.319 -5.912 -0.991 1.00 1.11 H new ATOM 759 N ILE A 41 8.881 -5.658 -0.615 1.00 21.23 N ATOM 760 CA ILE A 41 7.662 -6.382 -0.285 1.00 11.11 C ATOM 761 C ILE A 41 8.102 -7.826 -0.020 1.00 1.33 C ATOM 762 O ILE A 41 8.864 -8.377 -0.811 1.00 2.42 O ATOM 763 CB ILE A 41 6.648 -6.338 -1.460 1.00 14.45 C ATOM 764 CG1 ILE A 41 6.366 -4.889 -1.935 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.331 -7.032 -1.090 1.00 42.00 C ATOM 766 CD1 ILE A 41 5.498 -4.795 -3.197 1.00 72.04 C ATOM 0 H ILE A 41 9.409 -6.080 -1.379 1.00 21.23 H new ATOM 0 HA ILE A 41 7.161 -5.940 0.576 1.00 11.11 H new ATOM 0 HB ILE A 41 7.110 -6.879 -2.285 1.00 14.45 H new ATOM 0 HG12 ILE A 41 5.875 -4.344 -1.129 1.00 73.42 H new ATOM 0 HG13 ILE A 41 7.316 -4.390 -2.124 1.00 73.42 H new ATOM 0 HG21 ILE A 41 4.644 -6.983 -1.935 1.00 42.00 H new ATOM 0 HG22 ILE A 41 5.527 -8.075 -0.842 1.00 42.00 H new ATOM 0 HG23 ILE A 41 4.885 -6.532 -0.230 1.00 42.00 H new ATOM 0 HD11 ILE A 41 5.350 -3.748 -3.460 1.00 72.04 H new ATOM 0 HD12 ILE A 41 5.995 -5.309 -4.020 1.00 72.04 H new ATOM 0 HD13 ILE A 41 4.531 -5.262 -3.009 1.00 72.04 H new ATOM 778 N VAL A 42 7.689 -8.373 1.134 1.00 51.41 N ATOM 779 CA VAL A 42 8.280 -9.582 1.698 1.00 23.01 C ATOM 780 C VAL A 42 7.148 -10.502 2.192 1.00 3.20 C ATOM 781 O VAL A 42 6.614 -10.297 3.280 1.00 70.04 O ATOM 782 CB VAL A 42 9.246 -9.230 2.872 1.00 64.41 C ATOM 783 CG1 VAL A 42 9.919 -10.466 3.496 1.00 21.22 C ATOM 784 CG2 VAL A 42 10.340 -8.222 2.465 1.00 14.34 C ATOM 0 H VAL A 42 6.934 -7.983 1.698 1.00 51.41 H new ATOM 0 HA VAL A 42 8.862 -10.092 0.931 1.00 23.01 H new ATOM 0 HB VAL A 42 8.600 -8.771 3.620 1.00 64.41 H new ATOM 0 HG11 VAL A 42 10.577 -10.152 4.306 1.00 21.22 H new ATOM 0 HG12 VAL A 42 9.155 -11.137 3.889 1.00 21.22 H new ATOM 0 HG13 VAL A 42 10.502 -10.986 2.736 1.00 21.22 H new ATOM 0 HG21 VAL A 42 10.981 -8.015 3.322 1.00 14.34 H new ATOM 0 HG22 VAL A 42 10.939 -8.641 1.656 1.00 14.34 H new ATOM 0 HG23 VAL A 42 9.874 -7.296 2.129 1.00 14.34 H new ATOM 794 N GLN A 43 6.802 -11.502 1.367 1.00 45.20 N ATOM 795 CA GLN A 43 5.833 -12.551 1.693 1.00 44.04 C ATOM 796 C GLN A 43 6.495 -13.605 2.601 1.00 71.32 C ATOM 797 O GLN A 43 7.479 -14.219 2.189 1.00 74.35 O ATOM 798 CB GLN A 43 5.312 -13.149 0.368 1.00 3.31 C ATOM 799 CG GLN A 43 4.286 -14.290 0.525 1.00 64.03 C ATOM 800 CD GLN A 43 4.015 -14.972 -0.814 1.00 22.32 C ATOM 801 OE1 GLN A 43 3.099 -14.594 -1.539 1.00 11.34 O ATOM 802 NE2 GLN A 43 4.821 -15.982 -1.152 1.00 42.23 N ATOM 0 H GLN A 43 7.200 -11.603 0.433 1.00 45.20 H new ATOM 0 HA GLN A 43 4.984 -12.151 2.247 1.00 44.04 H new ATOM 0 HB2 GLN A 43 4.858 -12.351 -0.219 1.00 3.31 H new ATOM 0 HB3 GLN A 43 6.162 -13.521 -0.204 1.00 3.31 H new ATOM 0 HG2 GLN A 43 4.658 -15.022 1.241 1.00 64.03 H new ATOM 0 HG3 GLN A 43 3.355 -13.893 0.930 1.00 64.03 H new ATOM 0 HE21 GLN A 43 5.572 -16.268 -0.523 1.00 42.23 H new ATOM 0 HE22 GLN A 43 4.686 -16.467 -2.039 1.00 42.23 H new ATOM 811 N ASN A 44 5.935 -13.792 3.807 1.00 2.11 N ATOM 812 CA ASN A 44 6.460 -14.670 4.862 1.00 73.01 C ATOM 813 C ASN A 44 5.447 -15.791 5.161 1.00 14.21 C ATOM 814 O ASN A 44 5.030 -15.955 6.309 1.00 13.54 O ATOM 815 CB ASN A 44 6.752 -13.835 6.135 1.00 31.31 C ATOM 816 CG ASN A 44 7.796 -12.736 5.946 1.00 43.35 C ATOM 817 OD1 ASN A 44 8.937 -13.020 5.593 1.00 51.43 O ATOM 818 ND2 ASN A 44 7.416 -11.481 6.199 1.00 60.41 N ATOM 0 H ASN A 44 5.074 -13.319 4.083 1.00 2.11 H new ATOM 0 HA ASN A 44 7.390 -15.129 4.527 1.00 73.01 H new ATOM 0 HB2 ASN A 44 5.822 -13.380 6.477 1.00 31.31 H new ATOM 0 HB3 ASN A 44 7.088 -14.506 6.925 1.00 31.31 H new ATOM 0 HD21 ASN A 44 8.084 -10.716 6.101 1.00 60.41 H new ATOM 0 HD22 ASN A 44 6.458 -11.287 6.490 1.00 60.41 H new ATOM 825 N GLY A 45 5.047 -16.538 4.118 1.00 43.22 N ATOM 826 CA GLY A 45 4.006 -17.562 4.216 1.00 0.52 C ATOM 827 C GLY A 45 2.648 -16.864 4.362 1.00 45.51 C ATOM 828 O GLY A 45 2.238 -16.130 3.465 1.00 72.23 O ATOM 0 H GLY A 45 5.441 -16.444 3.182 1.00 43.22 H new ATOM 0 HA2 GLY A 45 4.013 -18.195 3.329 1.00 0.52 H new ATOM 0 HA3 GLY A 45 4.192 -18.211 5.072 1.00 0.52 H new ATOM 832 N LYS A 46 1.963 -17.102 5.497 1.00 30.04 N ATOM 833 CA LYS A 46 0.706 -16.437 5.858 1.00 51.45 C ATOM 834 C LYS A 46 0.913 -14.985 6.337 1.00 0.32 C ATOM 835 O LYS A 46 0.042 -14.148 6.093 1.00 74.42 O ATOM 836 CB LYS A 46 -0.054 -17.272 6.921 1.00 21.31 C ATOM 837 CG LYS A 46 -1.495 -17.641 6.523 1.00 1.33 C ATOM 838 CD LYS A 46 -2.424 -16.441 6.256 1.00 73.32 C ATOM 839 CE LYS A 46 -3.874 -16.848 5.946 1.00 1.34 C ATOM 840 NZ LYS A 46 -3.973 -17.649 4.715 1.00 43.32 N1+ ATOM 0 H LYS A 46 2.277 -17.774 6.197 1.00 30.04 H new ATOM 0 HA LYS A 46 0.102 -16.376 4.953 1.00 51.45 H new ATOM 0 HB2 LYS A 46 0.504 -18.189 7.113 1.00 21.31 H new ATOM 0 HB3 LYS A 46 -0.079 -16.712 7.856 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -1.461 -18.261 5.627 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.931 -18.249 7.316 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -2.417 -15.785 7.126 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -2.029 -15.865 5.419 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -4.277 -17.419 6.783 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -4.488 -15.953 5.846 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -4.972 -17.858 4.516 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -3.566 -17.116 3.920 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -3.450 -18.540 4.837 1.00 43.32 H new ATOM 854 N HIS A 47 2.064 -14.708 6.979 1.00 24.14 N ATOM 855 CA HIS A 47 2.523 -13.356 7.306 1.00 22.41 C ATOM 856 C HIS A 47 3.019 -12.621 6.049 1.00 14.04 C ATOM 857 O HIS A 47 3.308 -13.245 5.027 1.00 43.50 O ATOM 858 CB HIS A 47 3.617 -13.407 8.404 1.00 50.02 C ATOM 859 CG HIS A 47 3.201 -12.877 9.753 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.748 -11.583 9.948 1.00 34.41 N ATOM 861 CD2 HIS A 47 3.193 -13.460 11.002 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.502 -11.441 11.252 1.00 74.35 C ATOM 863 NE2 HIS A 47 2.748 -12.541 11.954 1.00 65.34 N ATOM 0 H HIS A 47 2.709 -15.435 7.288 1.00 24.14 H new ATOM 0 HA HIS A 47 1.678 -12.791 7.699 1.00 22.41 H new ATOM 0 HB2 HIS A 47 3.942 -14.441 8.522 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.481 -12.839 8.059 1.00 50.02 H new ATOM 0 HD1 HIS A 47 2.625 -10.871 9.228 1.00 34.41 H new ATOM 0 HD2 HIS A 47 3.487 -14.477 11.213 1.00 74.35 H new ATOM 0 HE1 HIS A 47 2.139 -10.524 11.692 1.00 74.35 H new ATOM 871 N PHE A 48 3.102 -11.292 6.154 1.00 64.22 N ATOM 872 CA PHE A 48 3.448 -10.407 5.053 1.00 21.45 C ATOM 873 C PHE A 48 4.028 -9.125 5.655 1.00 13.42 C ATOM 874 O PHE A 48 3.474 -8.608 6.626 1.00 2.42 O ATOM 875 CB PHE A 48 2.168 -10.121 4.243 1.00 52.14 C ATOM 876 CG PHE A 48 2.378 -9.510 2.872 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.390 -10.341 1.733 1.00 75.01 C ATOM 878 CD2 PHE A 48 2.663 -8.136 2.725 1.00 65.05 C ATOM 879 CE1 PHE A 48 2.573 -9.785 0.477 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.844 -7.598 1.460 1.00 52.34 C ATOM 881 CZ PHE A 48 2.778 -8.418 0.342 1.00 60.00 C ATOM 0 H PHE A 48 2.926 -10.797 7.028 1.00 64.22 H new ATOM 0 HA PHE A 48 4.186 -10.851 4.384 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.620 -11.056 4.123 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.534 -9.452 4.825 1.00 52.14 H new ATOM 0 HD1 PHE A 48 2.257 -11.408 1.839 1.00 75.01 H new ATOM 0 HD2 PHE A 48 2.740 -7.504 3.597 1.00 65.05 H new ATOM 0 HE1 PHE A 48 2.556 -10.416 -0.399 1.00 13.00 H new ATOM 0 HE2 PHE A 48 3.036 -6.542 1.345 1.00 52.34 H new ATOM 0 HZ PHE A 48 2.887 -7.989 -0.643 1.00 60.00 H new ATOM 891 N LYS A 49 5.099 -8.621 5.032 1.00 3.35 N ATOM 892 CA LYS A 49 5.742 -7.351 5.346 1.00 52.41 C ATOM 893 C LYS A 49 5.729 -6.441 4.113 1.00 72.32 C ATOM 894 O LYS A 49 5.891 -6.922 2.990 1.00 11.52 O ATOM 895 CB LYS A 49 7.184 -7.612 5.839 1.00 41.21 C ATOM 896 CG LYS A 49 7.359 -7.387 7.347 1.00 22.14 C ATOM 897 CD LYS A 49 8.786 -7.696 7.818 1.00 12.30 C ATOM 898 CE LYS A 49 9.036 -7.265 9.267 1.00 43.24 C ATOM 899 NZ LYS A 49 10.379 -7.663 9.720 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.557 -9.112 4.264 1.00 3.35 H new ATOM 0 HA LYS A 49 5.194 -6.845 6.141 1.00 52.41 H new ATOM 0 HB2 LYS A 49 7.464 -8.637 5.597 1.00 41.21 H new ATOM 0 HB3 LYS A 49 7.869 -6.959 5.299 1.00 41.21 H new ATOM 0 HG2 LYS A 49 7.114 -6.353 7.589 1.00 22.14 H new ATOM 0 HG3 LYS A 49 6.655 -8.017 7.891 1.00 22.14 H new ATOM 0 HD2 LYS A 49 8.972 -8.766 7.724 1.00 12.30 H new ATOM 0 HD3 LYS A 49 9.497 -7.191 7.165 1.00 12.30 H new ATOM 0 HE2 LYS A 49 8.927 -6.184 9.351 1.00 43.24 H new ATOM 0 HE3 LYS A 49 8.284 -7.712 9.917 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 10.518 -7.357 10.704 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 10.473 -8.697 9.662 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 11.096 -7.216 9.114 1.00 54.54 H new ATOM 913 N PHE A 50 5.574 -5.136 4.367 1.00 44.13 N ATOM 914 CA PHE A 50 5.636 -4.080 3.362 1.00 1.25 C ATOM 915 C PHE A 50 6.574 -3.009 3.936 1.00 11.43 C ATOM 916 O PHE A 50 6.339 -2.504 5.035 1.00 12.42 O ATOM 917 CB PHE A 50 4.210 -3.540 3.093 1.00 51.44 C ATOM 918 CG PHE A 50 3.935 -3.112 1.657 1.00 4.32 C ATOM 919 CD1 PHE A 50 2.730 -3.502 1.032 1.00 73.22 C ATOM 920 CD2 PHE A 50 4.811 -2.246 0.962 1.00 72.15 C ATOM 921 CE1 PHE A 50 2.450 -3.088 -0.264 1.00 21.11 C ATOM 922 CE2 PHE A 50 4.513 -1.844 -0.332 1.00 61.23 C ATOM 923 CZ PHE A 50 3.341 -2.268 -0.945 1.00 22.42 C ATOM 0 H PHE A 50 5.397 -4.780 5.306 1.00 44.13 H new ATOM 0 HA PHE A 50 6.017 -4.429 2.402 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.490 -4.310 3.369 1.00 51.44 H new ATOM 0 HB3 PHE A 50 4.033 -2.688 3.749 1.00 51.44 H new ATOM 0 HD1 PHE A 50 2.024 -4.124 1.563 1.00 73.22 H new ATOM 0 HD2 PHE A 50 5.714 -1.897 1.440 1.00 72.15 H new ATOM 0 HE1 PHE A 50 1.536 -3.405 -0.744 1.00 21.11 H new ATOM 0 HE2 PHE A 50 5.195 -1.199 -0.865 1.00 61.23 H new ATOM 0 HZ PHE A 50 3.121 -1.959 -1.956 1.00 22.42 H new ATOM 933 N THR A 51 7.624 -2.702 3.167 1.00 53.25 N ATOM 934 CA THR A 51 8.667 -1.731 3.477 1.00 42.45 C ATOM 935 C THR A 51 8.611 -0.603 2.432 1.00 21.42 C ATOM 936 O THR A 51 8.456 -0.895 1.245 1.00 40.20 O ATOM 937 CB THR A 51 10.072 -2.382 3.393 1.00 72.25 C ATOM 938 OG1 THR A 51 10.098 -3.578 4.150 1.00 1.10 O ATOM 939 CG2 THR A 51 11.220 -1.489 3.888 1.00 30.11 C ATOM 0 H THR A 51 7.773 -3.151 2.263 1.00 53.25 H new ATOM 0 HA THR A 51 8.502 -1.355 4.487 1.00 42.45 H new ATOM 0 HB THR A 51 10.236 -2.564 2.331 1.00 72.25 H new ATOM 0 HG1 THR A 51 10.988 -3.984 4.090 1.00 1.10 H new ATOM 0 HG21 THR A 51 12.165 -2.025 3.793 1.00 30.11 H new ATOM 0 HG22 THR A 51 11.257 -0.579 3.289 1.00 30.11 H new ATOM 0 HG23 THR A 51 11.054 -1.229 4.933 1.00 30.11 H new ATOM 947 N ILE A 52 8.705 0.658 2.883 1.00 41.33 N ATOM 948 CA ILE A 52 8.560 1.843 2.037 1.00 54.14 C ATOM 949 C ILE A 52 9.629 2.868 2.453 1.00 24.44 C ATOM 950 O ILE A 52 9.487 3.502 3.497 1.00 45.15 O ATOM 951 CB ILE A 52 7.146 2.503 2.155 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.980 1.506 1.923 1.00 20.40 C ATOM 953 CG2 ILE A 52 6.996 3.703 1.193 1.00 55.04 C ATOM 954 CD1 ILE A 52 5.457 0.845 3.211 1.00 33.33 C ATOM 0 H ILE A 52 8.887 0.881 3.862 1.00 41.33 H new ATOM 0 HA ILE A 52 8.683 1.531 1.000 1.00 54.14 H new ATOM 0 HB ILE A 52 7.079 2.853 3.185 1.00 74.01 H new ATOM 0 HG12 ILE A 52 5.158 2.031 1.436 1.00 20.40 H new ATOM 0 HG13 ILE A 52 6.312 0.728 1.236 1.00 20.40 H new ATOM 0 HG21 ILE A 52 6.002 4.136 1.303 1.00 55.04 H new ATOM 0 HG22 ILE A 52 7.748 4.456 1.430 1.00 55.04 H new ATOM 0 HG23 ILE A 52 7.133 3.365 0.166 1.00 55.04 H new ATOM 0 HD11 ILE A 52 4.644 0.162 2.965 1.00 33.33 H new ATOM 0 HD12 ILE A 52 6.264 0.290 3.689 1.00 33.33 H new ATOM 0 HD13 ILE A 52 5.092 1.614 3.892 1.00 33.33 H new ATOM 966 N THR A 53 10.673 3.004 1.623 1.00 22.12 N ATOM 967 CA THR A 53 11.779 3.947 1.786 1.00 13.34 C ATOM 968 C THR A 53 11.503 5.201 0.934 1.00 63.33 C ATOM 969 O THR A 53 11.462 5.100 -0.292 1.00 3.11 O ATOM 970 CB THR A 53 13.111 3.309 1.294 1.00 54.14 C ATOM 971 OG1 THR A 53 13.402 2.168 2.076 1.00 44.35 O ATOM 972 CG2 THR A 53 14.342 4.234 1.330 1.00 4.54 C ATOM 0 H THR A 53 10.770 2.432 0.784 1.00 22.12 H new ATOM 0 HA THR A 53 11.865 4.206 2.841 1.00 13.34 H new ATOM 0 HB THR A 53 12.935 3.070 0.245 1.00 54.14 H new ATOM 0 HG1 THR A 53 14.239 1.764 1.766 1.00 44.35 H new ATOM 0 HG21 THR A 53 15.215 3.692 0.967 1.00 4.54 H new ATOM 0 HG22 THR A 53 14.164 5.102 0.695 1.00 4.54 H new ATOM 0 HG23 THR A 53 14.519 4.564 2.354 1.00 4.54 H new ATOM 980 N ALA A 54 11.313 6.357 1.589 1.00 2.35 N ATOM 981 CA ALA A 54 11.002 7.624 0.923 1.00 30.14 C ATOM 982 C ALA A 54 11.328 8.816 1.831 1.00 24.35 C ATOM 983 O ALA A 54 11.203 8.709 3.052 1.00 5.40 O ATOM 984 CB ALA A 54 9.525 7.644 0.489 1.00 75.44 C ATOM 0 H ALA A 54 11.372 6.435 2.604 1.00 2.35 H new ATOM 0 HA ALA A 54 11.624 7.711 0.032 1.00 30.14 H new ATOM 0 HB1 ALA A 54 9.304 8.590 -0.005 1.00 75.44 H new ATOM 0 HB2 ALA A 54 9.337 6.822 -0.201 1.00 75.44 H new ATOM 0 HB3 ALA A 54 8.887 7.535 1.366 1.00 75.44 H new ATOM 990 N GLY A 55 11.731 9.938 1.210 1.00 72.42 N ATOM 991 CA GLY A 55 12.210 11.130 1.910 1.00 34.33 C ATOM 992 C GLY A 55 13.634 10.839 2.401 1.00 33.32 C ATOM 993 O GLY A 55 14.567 10.807 1.600 1.00 61.42 O ATOM 0 H GLY A 55 11.731 10.038 0.195 1.00 72.42 H new ATOM 0 HA2 GLY A 55 12.203 11.993 1.245 1.00 34.33 H new ATOM 0 HA3 GLY A 55 11.557 11.369 2.749 1.00 34.33 H new ATOM 997 N SER A 56 13.772 10.610 3.714 1.00 24.25 N ATOM 998 CA SER A 56 14.993 10.120 4.358 1.00 51.21 C ATOM 999 C SER A 56 14.656 9.243 5.583 1.00 11.32 C ATOM 1000 O SER A 56 15.393 9.238 6.569 1.00 13.10 O ATOM 1001 CB SER A 56 15.976 11.287 4.625 1.00 20.12 C ATOM 1002 OG SER A 56 16.879 11.417 3.546 1.00 2.14 O ATOM 0 H SER A 56 13.012 10.766 4.376 1.00 24.25 H new ATOM 0 HA SER A 56 15.529 9.453 3.683 1.00 51.21 H new ATOM 0 HB2 SER A 56 15.422 12.216 4.760 1.00 20.12 H new ATOM 0 HB3 SER A 56 16.525 11.106 5.549 1.00 20.12 H new ATOM 0 HG SER A 56 16.405 11.264 2.702 1.00 2.14 H new ATOM 1008 N LYS A 57 13.542 8.502 5.481 1.00 73.31 N ATOM 1009 CA LYS A 57 13.034 7.572 6.487 1.00 20.53 C ATOM 1010 C LYS A 57 12.443 6.333 5.794 1.00 63.12 C ATOM 1011 O LYS A 57 12.181 6.366 4.591 1.00 14.45 O ATOM 1012 CB LYS A 57 11.998 8.287 7.387 1.00 73.21 C ATOM 1013 CG LYS A 57 10.803 8.920 6.636 1.00 2.02 C ATOM 1014 CD LYS A 57 9.560 9.145 7.511 1.00 74.54 C ATOM 1015 CE LYS A 57 8.779 7.847 7.775 1.00 51.10 C ATOM 1016 NZ LYS A 57 7.527 8.096 8.512 1.00 41.34 N1+ ATOM 0 H LYS A 57 12.947 8.541 4.654 1.00 73.31 H new ATOM 0 HA LYS A 57 13.847 7.235 7.129 1.00 20.53 H new ATOM 0 HB2 LYS A 57 11.613 7.570 8.112 1.00 73.21 H new ATOM 0 HB3 LYS A 57 12.508 9.068 7.951 1.00 73.21 H new ATOM 0 HG2 LYS A 57 11.117 9.876 6.216 1.00 2.02 H new ATOM 0 HG3 LYS A 57 10.533 8.277 5.798 1.00 2.02 H new ATOM 0 HD2 LYS A 57 9.864 9.581 8.462 1.00 74.54 H new ATOM 0 HD3 LYS A 57 8.904 9.867 7.025 1.00 74.54 H new ATOM 0 HE2 LYS A 57 8.551 7.362 6.826 1.00 51.10 H new ATOM 0 HE3 LYS A 57 9.403 7.158 8.343 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 7.032 7.195 8.669 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 7.745 8.535 9.429 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 6.919 8.733 7.959 1.00 41.34 H new ATOM 1030 N VAL A 58 12.237 5.262 6.578 1.00 22.24 N ATOM 1031 CA VAL A 58 11.643 4.020 6.092 1.00 72.31 C ATOM 1032 C VAL A 58 10.509 3.603 7.041 1.00 12.04 C ATOM 1033 O VAL A 58 10.722 3.540 8.253 1.00 53.43 O ATOM 1034 CB VAL A 58 12.668 2.851 6.003 1.00 15.54 C ATOM 1035 CG1 VAL A 58 12.082 1.628 5.271 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.983 3.267 5.321 1.00 53.14 C ATOM 0 H VAL A 58 12.481 5.240 7.568 1.00 22.24 H new ATOM 0 HA VAL A 58 11.274 4.213 5.085 1.00 72.31 H new ATOM 0 HB VAL A 58 12.888 2.578 7.035 1.00 15.54 H new ATOM 0 HG11 VAL A 58 12.829 0.836 5.231 1.00 21.52 H new ATOM 0 HG12 VAL A 58 11.202 1.271 5.806 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.799 1.912 4.257 1.00 21.52 H new ATOM 0 HG21 VAL A 58 14.660 2.414 5.286 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.775 3.607 4.306 1.00 53.14 H new ATOM 0 HG23 VAL A 58 14.446 4.075 5.887 1.00 53.14 H new ATOM 1046 N ILE A 59 9.336 3.306 6.459 1.00 52.34 N ATOM 1047 CA ILE A 59 8.180 2.743 7.153 1.00 63.31 C ATOM 1048 C ILE A 59 8.217 1.221 6.947 1.00 31.44 C ATOM 1049 O ILE A 59 8.412 0.771 5.818 1.00 30.30 O ATOM 1050 CB ILE A 59 6.820 3.264 6.585 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.739 4.810 6.571 1.00 32.22 C ATOM 1052 CG2 ILE A 59 5.610 2.701 7.370 1.00 4.45 C ATOM 1053 CD1 ILE A 59 7.332 5.460 5.308 1.00 31.01 C ATOM 0 H ILE A 59 9.167 3.457 5.465 1.00 52.34 H new ATOM 0 HA ILE A 59 8.239 3.036 8.201 1.00 63.31 H new ATOM 0 HB ILE A 59 6.777 2.904 5.557 1.00 40.23 H new ATOM 0 HG12 ILE A 59 5.695 5.109 6.664 1.00 32.22 H new ATOM 0 HG13 ILE A 59 7.261 5.198 7.446 1.00 32.22 H new ATOM 0 HG21 ILE A 59 4.686 3.089 6.941 1.00 4.45 H new ATOM 0 HG22 ILE A 59 5.610 1.613 7.307 1.00 4.45 H new ATOM 0 HG23 ILE A 59 5.681 3.004 8.415 1.00 4.45 H new ATOM 0 HD11 ILE A 59 7.236 6.544 5.377 1.00 31.01 H new ATOM 0 HD12 ILE A 59 8.386 5.194 5.222 1.00 31.01 H new ATOM 0 HD13 ILE A 59 6.795 5.103 4.429 1.00 31.01 H new ATOM 1065 N GLN A 60 8.010 0.473 8.038 1.00 13.05 N ATOM 1066 CA GLN A 60 7.868 -0.979 8.034 1.00 21.24 C ATOM 1067 C GLN A 60 6.516 -1.304 8.670 1.00 24.42 C ATOM 1068 O GLN A 60 6.270 -0.904 9.808 1.00 55.10 O ATOM 1069 CB GLN A 60 9.008 -1.664 8.828 1.00 12.44 C ATOM 1070 CG GLN A 60 10.406 -1.605 8.172 1.00 71.21 C ATOM 1071 CD GLN A 60 11.246 -0.345 8.431 1.00 60.43 C ATOM 1072 OE1 GLN A 60 10.841 0.534 9.351 1.00 22.25 O flip ATOM 1073 NE2 GLN A 60 12.286 -0.176 7.802 1.00 2.35 N flip ATOM 0 H GLN A 60 7.935 0.877 8.971 1.00 13.05 H new ATOM 0 HA GLN A 60 7.924 -1.353 7.012 1.00 21.24 H new ATOM 0 HB2 GLN A 60 9.069 -1.202 9.813 1.00 12.44 H new ATOM 0 HB3 GLN A 60 8.742 -2.710 8.982 1.00 12.44 H new ATOM 0 HG2 GLN A 60 10.977 -2.469 8.513 1.00 71.21 H new ATOM 0 HG3 GLN A 60 10.279 -1.712 7.095 1.00 71.21 H new ATOM 0 HE21 GLN A 60 12.577 -0.860 7.104 1.00 2.35 H new ATOM 0 HE22 GLN A 60 12.860 0.649 7.978 1.00 2.35 H new ATOM 1082 N ASN A 61 5.685 -2.048 7.928 1.00 15.02 N ATOM 1083 CA ASN A 61 4.421 -2.603 8.402 1.00 22.04 C ATOM 1084 C ASN A 61 4.440 -4.117 8.211 1.00 12.24 C ATOM 1085 O ASN A 61 5.076 -4.612 7.281 1.00 1.30 O ATOM 1086 CB ASN A 61 3.241 -1.988 7.617 1.00 74.13 C ATOM 1087 CG ASN A 61 2.976 -0.522 7.958 1.00 14.54 C ATOM 1088 OD1 ASN A 61 2.779 -0.221 9.242 1.00 4.23 O flip ATOM 1089 ND2 ASN A 61 2.934 0.327 7.071 1.00 71.34 N flip ATOM 0 H ASN A 61 5.884 -2.284 6.956 1.00 15.02 H new ATOM 0 HA ASN A 61 4.295 -2.367 9.459 1.00 22.04 H new ATOM 0 HB2 ASN A 61 3.442 -2.073 6.549 1.00 74.13 H new ATOM 0 HB3 ASN A 61 2.340 -2.568 7.819 1.00 74.13 H new ATOM 0 HD21 ASN A 61 3.090 0.058 6.100 1.00 71.34 H new ATOM 0 HD22 ASN A 61 2.743 1.301 7.306 1.00 71.34 H new ATOM 1096 N GLU A 62 3.704 -4.803 9.094 1.00 11.32 N ATOM 1097 CA GLU A 62 3.508 -6.242 9.063 1.00 10.11 C ATOM 1098 C GLU A 62 2.035 -6.552 9.363 1.00 4.42 C ATOM 1099 O GLU A 62 1.426 -5.898 10.210 1.00 11.11 O ATOM 1100 CB GLU A 62 4.487 -6.916 10.050 1.00 64.34 C ATOM 1101 CG GLU A 62 4.389 -8.453 10.097 1.00 12.24 C ATOM 1102 CD GLU A 62 5.387 -9.053 11.082 1.00 52.11 C ATOM 1103 OE1 GLU A 62 5.021 -9.143 12.275 1.00 25.35 O ATOM 1104 OE2 GLU A 62 6.498 -9.404 10.628 1.00 52.24 O1- ATOM 0 H GLU A 62 3.218 -4.351 9.869 1.00 11.32 H new ATOM 0 HA GLU A 62 3.728 -6.649 8.076 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.505 -6.638 9.779 1.00 64.34 H new ATOM 0 HB3 GLU A 62 4.304 -6.522 11.050 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.378 -8.744 10.381 1.00 12.24 H new ATOM 0 HG3 GLU A 62 4.571 -8.860 9.102 1.00 12.24 H new ATOM 1111 N PHE A 63 1.512 -7.567 8.665 1.00 45.12 N ATOM 1112 CA PHE A 63 0.165 -8.099 8.841 1.00 45.42 C ATOM 1113 C PHE A 63 0.149 -9.592 8.498 1.00 52.20 C ATOM 1114 O PHE A 63 1.042 -10.080 7.807 1.00 63.22 O ATOM 1115 CB PHE A 63 -0.846 -7.285 7.997 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.710 -7.327 6.483 1.00 72.14 C ATOM 1117 CD1 PHE A 63 -1.282 -8.383 5.742 1.00 42.32 C ATOM 1118 CD2 PHE A 63 0.091 -6.377 5.816 1.00 4.21 C ATOM 1119 CE1 PHE A 63 -1.105 -8.444 4.367 1.00 33.11 C ATOM 1120 CE2 PHE A 63 0.239 -6.443 4.438 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.361 -7.468 3.717 1.00 51.51 C ATOM 0 H PHE A 63 2.037 -8.054 7.938 1.00 45.12 H new ATOM 0 HA PHE A 63 -0.139 -8.000 9.883 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -1.848 -7.630 8.252 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -0.779 -6.243 8.309 1.00 33.31 H new ATOM 0 HD1 PHE A 63 -1.858 -9.145 6.246 1.00 42.32 H new ATOM 0 HD2 PHE A 63 0.588 -5.599 6.377 1.00 4.21 H new ATOM 0 HE1 PHE A 63 -1.546 -9.251 3.802 1.00 33.11 H new ATOM 0 HE2 PHE A 63 0.823 -5.694 3.924 1.00 1.52 H new ATOM 0 HZ PHE A 63 -0.248 -7.506 2.644 1.00 51.51 H new ATOM 1131 N THR A 64 -0.906 -10.273 8.961 1.00 74.12 N ATOM 1132 CA THR A 64 -1.270 -11.619 8.530 1.00 13.51 C ATOM 1133 C THR A 64 -2.553 -11.500 7.695 1.00 22.02 C ATOM 1134 O THR A 64 -3.462 -10.765 8.087 1.00 1.35 O ATOM 1135 CB THR A 64 -1.558 -12.543 9.742 1.00 73.13 C ATOM 1136 OG1 THR A 64 -0.386 -12.642 10.524 1.00 42.04 O ATOM 1137 CG2 THR A 64 -1.995 -13.975 9.389 1.00 4.13 C ATOM 0 H THR A 64 -1.542 -9.891 9.661 1.00 74.12 H new ATOM 0 HA THR A 64 -0.446 -12.050 7.961 1.00 13.51 H new ATOM 0 HB THR A 64 -2.395 -12.079 10.265 1.00 73.13 H new ATOM 0 HG1 THR A 64 -0.555 -13.223 11.295 1.00 42.04 H new ATOM 0 HG21 THR A 64 -2.171 -14.538 10.306 1.00 4.13 H new ATOM 0 HG22 THR A 64 -2.913 -13.941 8.802 1.00 4.13 H new ATOM 0 HG23 THR A 64 -1.211 -14.462 8.809 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.595 -12.203 6.550 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.722 -12.176 5.614 1.00 33.33 C ATOM 1147 C VAL A 65 -5.007 -12.717 6.278 1.00 61.03 C ATOM 1148 O VAL A 65 -4.973 -13.777 6.902 1.00 22.11 O ATOM 1149 CB VAL A 65 -3.416 -13.008 4.330 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -4.586 -13.075 3.328 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -2.164 -12.482 3.602 1.00 40.35 C ATOM 0 H VAL A 65 -1.835 -12.813 6.249 1.00 11.41 H new ATOM 0 HA VAL A 65 -3.876 -11.135 5.330 1.00 33.33 H new ATOM 0 HB VAL A 65 -3.243 -14.020 4.695 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -4.292 -13.671 2.464 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -5.450 -13.534 3.808 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -4.844 -12.067 3.002 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -1.980 -13.085 2.712 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -2.322 -11.444 3.311 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -1.303 -12.545 4.267 1.00 40.35 H new ATOM 1161 N GLY A 66 -6.104 -11.956 6.147 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.423 -12.294 6.681 1.00 0.44 C ATOM 1163 C GLY A 66 -7.612 -11.931 8.165 1.00 33.05 C ATOM 1164 O GLY A 66 -8.744 -12.014 8.639 1.00 40.34 O ATOM 0 H GLY A 66 -6.093 -11.064 5.652 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -8.184 -11.781 6.093 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -7.591 -13.364 6.555 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.556 -11.505 8.884 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.632 -11.054 10.275 1.00 22.42 C ATOM 1170 C GLU A 67 -6.678 -9.524 10.330 1.00 3.42 C ATOM 1171 O GLU A 67 -5.902 -8.864 9.634 1.00 51.32 O ATOM 1172 CB GLU A 67 -5.411 -11.584 11.061 1.00 4.45 C ATOM 1173 CG GLU A 67 -5.352 -13.118 11.209 1.00 21.52 C ATOM 1174 CD GLU A 67 -6.538 -13.680 11.998 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -7.442 -14.245 11.346 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -6.526 -13.516 13.237 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.611 -11.466 8.501 1.00 70.23 H new ATOM 0 HA GLU A 67 -7.542 -11.444 10.730 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -4.502 -11.246 10.563 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -5.415 -11.137 12.055 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -5.330 -13.574 10.219 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -4.424 -13.396 11.709 1.00 21.52 H new ATOM 1183 N GLU A 68 -7.573 -8.992 11.184 1.00 62.04 N ATOM 1184 CA GLU A 68 -7.684 -7.558 11.451 1.00 12.35 C ATOM 1185 C GLU A 68 -6.503 -7.061 12.300 1.00 34.40 C ATOM 1186 O GLU A 68 -6.097 -7.727 13.253 1.00 15.45 O ATOM 1187 CB GLU A 68 -9.059 -7.216 12.062 1.00 64.11 C ATOM 1188 CG GLU A 68 -9.340 -7.762 13.476 1.00 10.43 C ATOM 1189 CD GLU A 68 -10.704 -7.289 13.974 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -11.693 -8.001 13.698 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -10.732 -6.207 14.603 1.00 13.42 O1- ATOM 0 H GLU A 68 -8.242 -9.556 11.709 1.00 62.04 H new ATOM 0 HA GLU A 68 -7.626 -7.020 10.505 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -9.159 -6.131 12.089 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -9.833 -7.591 11.392 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -9.309 -8.851 13.464 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -8.561 -7.429 14.162 1.00 10.43 H new ATOM 1198 N CYS A 69 -5.962 -5.904 11.898 1.00 13.21 N ATOM 1199 CA CYS A 69 -4.710 -5.350 12.401 1.00 70.35 C ATOM 1200 C CYS A 69 -4.577 -3.891 11.942 1.00 60.52 C ATOM 1201 O CYS A 69 -5.231 -3.487 10.978 1.00 3.44 O ATOM 1202 CB CYS A 69 -3.493 -6.209 11.983 1.00 55.14 C ATOM 1203 SG CYS A 69 -3.337 -6.310 10.177 1.00 2.14 S ATOM 0 H CYS A 69 -6.401 -5.314 11.192 1.00 13.21 H new ATOM 0 HA CYS A 69 -4.728 -5.368 13.491 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -2.583 -5.782 12.404 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -3.595 -7.212 12.397 1.00 55.14 H new ATOM 0 HG CYS A 69 -3.967 -5.313 9.631 1.00 2.14 H new ATOM 1209 N GLU A 70 -3.735 -3.129 12.655 1.00 1.31 N ATOM 1210 CA GLU A 70 -3.555 -1.697 12.439 1.00 5.34 C ATOM 1211 C GLU A 70 -2.275 -1.420 11.632 1.00 21.04 C ATOM 1212 O GLU A 70 -1.192 -1.863 12.017 1.00 4.41 O ATOM 1213 CB GLU A 70 -3.627 -0.988 13.804 1.00 62.11 C ATOM 1214 CG GLU A 70 -3.689 0.544 13.704 1.00 33.43 C ATOM 1215 CD GLU A 70 -4.181 1.169 15.009 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -3.329 1.386 15.896 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -5.404 1.414 15.093 1.00 1.21 O1- ATOM 0 H GLU A 70 -3.155 -3.501 13.407 1.00 1.31 H new ATOM 0 HA GLU A 70 -4.355 -1.285 11.823 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -4.506 -1.344 14.342 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -2.756 -1.269 14.396 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -2.701 0.935 13.462 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -4.353 0.830 12.889 1.00 33.43 H new ATOM 1224 N LEU A 71 -2.461 -0.710 10.511 1.00 63.25 N ATOM 1225 CA LEU A 71 -1.448 -0.358 9.514 1.00 51.44 C ATOM 1226 C LEU A 71 -1.080 1.132 9.648 1.00 52.25 C ATOM 1227 O LEU A 71 -1.772 1.869 10.350 1.00 41.12 O ATOM 1228 CB LEU A 71 -2.037 -0.655 8.107 1.00 12.12 C ATOM 1229 CG LEU A 71 -1.921 -2.123 7.625 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -0.461 -2.556 7.404 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -2.718 -3.134 8.469 1.00 11.34 C ATOM 0 H LEU A 71 -3.381 -0.345 10.263 1.00 63.25 H new ATOM 0 HA LEU A 71 -0.540 -0.942 9.664 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -3.090 -0.375 8.108 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -1.537 -0.013 7.381 1.00 12.12 H new ATOM 0 HG LEU A 71 -2.407 -2.136 6.649 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -0.436 -3.592 7.067 1.00 13.24 H new ATOM 0 HD12 LEU A 71 -0.002 -1.918 6.649 1.00 13.24 H new ATOM 0 HD13 LEU A 71 0.091 -2.465 8.340 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -2.581 -4.136 8.062 1.00 11.34 H new ATOM 0 HD22 LEU A 71 -2.362 -3.109 9.499 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -3.776 -2.874 8.444 1.00 11.34 H new ATOM 1243 N GLU A 72 0.001 1.544 8.962 1.00 31.40 N ATOM 1244 CA GLU A 72 0.503 2.922 8.933 1.00 14.02 C ATOM 1245 C GLU A 72 0.733 3.384 7.479 1.00 21.53 C ATOM 1246 O GLU A 72 0.902 2.554 6.585 1.00 23.03 O ATOM 1247 CB GLU A 72 1.776 3.008 9.816 1.00 41.41 C ATOM 1248 CG GLU A 72 2.372 4.421 9.974 1.00 41.14 C ATOM 1249 CD GLU A 72 3.559 4.464 10.932 1.00 41.24 C ATOM 1250 OE1 GLU A 72 4.704 4.484 10.427 1.00 4.01 O ATOM 1251 OE2 GLU A 72 3.304 4.499 12.153 1.00 22.04 O1- ATOM 0 H GLU A 72 0.563 0.906 8.398 1.00 31.40 H new ATOM 0 HA GLU A 72 -0.234 3.609 9.349 1.00 14.02 H new ATOM 0 HB2 GLU A 72 1.539 2.618 10.806 1.00 41.41 H new ATOM 0 HB3 GLU A 72 2.538 2.355 9.391 1.00 41.41 H new ATOM 0 HG2 GLU A 72 2.687 4.788 8.997 1.00 41.14 H new ATOM 0 HG3 GLU A 72 1.597 5.098 10.334 1.00 41.14 H new ATOM 1258 N THR A 73 0.741 4.711 7.283 1.00 53.10 N ATOM 1259 CA THR A 73 1.068 5.398 6.027 1.00 22.32 C ATOM 1260 C THR A 73 2.218 6.404 6.267 1.00 73.14 C ATOM 1261 O THR A 73 2.630 6.609 7.408 1.00 51.31 O ATOM 1262 CB THR A 73 -0.175 6.167 5.498 1.00 61.01 C ATOM 1263 OG1 THR A 73 -0.671 7.098 6.444 1.00 25.44 O ATOM 1264 CG2 THR A 73 -1.329 5.235 5.101 1.00 13.44 C ATOM 0 H THR A 73 0.509 5.364 8.032 1.00 53.10 H new ATOM 0 HA THR A 73 1.374 4.654 5.291 1.00 22.32 H new ATOM 0 HB THR A 73 0.182 6.693 4.612 1.00 61.01 H new ATOM 0 HG1 THR A 73 -1.450 7.560 6.071 1.00 25.44 H new ATOM 0 HG21 THR A 73 -2.168 5.829 4.740 1.00 13.44 H new ATOM 0 HG22 THR A 73 -0.996 4.559 4.313 1.00 13.44 H new ATOM 0 HG23 THR A 73 -1.642 4.654 5.968 1.00 13.44 H new ATOM 1272 N MET A 74 2.737 7.016 5.186 1.00 65.23 N ATOM 1273 CA MET A 74 3.868 7.960 5.211 1.00 15.22 C ATOM 1274 C MET A 74 3.657 9.230 6.069 1.00 61.53 C ATOM 1275 O MET A 74 4.647 9.837 6.479 1.00 63.41 O ATOM 1276 CB MET A 74 4.287 8.328 3.768 1.00 4.31 C ATOM 1277 CG MET A 74 4.738 7.131 2.907 1.00 63.10 C ATOM 1278 SD MET A 74 3.436 6.204 2.046 1.00 71.13 S ATOM 1279 CE MET A 74 3.138 7.310 0.641 1.00 42.32 C ATOM 0 H MET A 74 2.371 6.863 4.246 1.00 65.23 H new ATOM 0 HA MET A 74 4.675 7.427 5.715 1.00 15.22 H new ATOM 0 HB2 MET A 74 3.449 8.819 3.274 1.00 4.31 H new ATOM 0 HB3 MET A 74 5.099 9.053 3.813 1.00 4.31 H new ATOM 0 HG2 MET A 74 5.444 7.496 2.162 1.00 63.10 H new ATOM 0 HG3 MET A 74 5.281 6.437 3.548 1.00 63.10 H new ATOM 0 HE1 MET A 74 2.360 6.888 0.005 1.00 42.32 H new ATOM 0 HE2 MET A 74 2.818 8.286 1.007 1.00 42.32 H new ATOM 0 HE3 MET A 74 4.056 7.422 0.065 1.00 42.32 H new ATOM 1289 N THR A 75 2.392 9.577 6.355 1.00 42.10 N ATOM 1290 CA THR A 75 1.973 10.640 7.275 1.00 73.34 C ATOM 1291 C THR A 75 2.050 10.241 8.769 1.00 4.34 C ATOM 1292 O THR A 75 1.982 11.130 9.620 1.00 65.22 O ATOM 1293 CB THR A 75 0.499 11.033 6.985 1.00 44.22 C ATOM 1294 OG1 THR A 75 -0.395 9.973 7.267 1.00 73.25 O ATOM 1295 CG2 THR A 75 0.263 11.488 5.540 1.00 62.31 C ATOM 0 H THR A 75 1.598 9.100 5.929 1.00 42.10 H new ATOM 0 HA THR A 75 2.666 11.464 7.104 1.00 73.34 H new ATOM 0 HB THR A 75 0.304 11.875 7.649 1.00 44.22 H new ATOM 0 HG1 THR A 75 -0.197 9.213 6.681 1.00 73.25 H new ATOM 0 HG21 THR A 75 -0.787 11.747 5.407 1.00 62.31 H new ATOM 0 HG22 THR A 75 0.882 12.360 5.327 1.00 62.31 H new ATOM 0 HG23 THR A 75 0.527 10.681 4.857 1.00 62.31 H new ATOM 1303 N GLY A 76 2.178 8.937 9.068 1.00 3.43 N ATOM 1304 CA GLY A 76 2.201 8.385 10.423 1.00 13.34 C ATOM 1305 C GLY A 76 0.796 8.034 10.944 1.00 34.01 C ATOM 1306 O GLY A 76 0.698 7.517 12.057 1.00 72.12 O ATOM 0 H GLY A 76 2.271 8.221 8.348 1.00 3.43 H new ATOM 0 HA2 GLY A 76 2.823 7.490 10.436 1.00 13.34 H new ATOM 0 HA3 GLY A 76 2.665 9.105 11.097 1.00 13.34 H new ATOM 1310 N GLU A 77 -0.276 8.293 10.167 1.00 2.11 N ATOM 1311 CA GLU A 77 -1.664 7.965 10.509 1.00 62.44 C ATOM 1312 C GLU A 77 -1.907 6.452 10.597 1.00 4.12 C ATOM 1313 O GLU A 77 -1.459 5.712 9.722 1.00 42.31 O ATOM 1314 CB GLU A 77 -2.625 8.599 9.477 1.00 1.33 C ATOM 1315 CG GLU A 77 -2.854 10.110 9.668 1.00 21.25 C ATOM 1316 CD GLU A 77 -3.636 10.419 10.947 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -3.031 11.030 11.854 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -4.820 10.023 11.000 1.00 2.32 O1- ATOM 0 H GLU A 77 -0.191 8.750 9.259 1.00 2.11 H new ATOM 0 HA GLU A 77 -1.859 8.378 11.499 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -2.229 8.427 8.476 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -3.586 8.088 9.532 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -1.891 10.620 9.700 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -3.396 10.505 8.809 1.00 21.25 H new ATOM 1325 N LYS A 78 -2.633 6.049 11.653 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.965 4.663 11.965 1.00 62.24 C ATOM 1327 C LYS A 78 -4.426 4.354 11.604 1.00 52.53 C ATOM 1328 O LYS A 78 -5.292 5.205 11.810 1.00 41.41 O ATOM 1329 CB LYS A 78 -2.736 4.422 13.469 1.00 24.04 C ATOM 1330 CG LYS A 78 -1.273 4.510 13.936 1.00 12.42 C ATOM 1331 CD LYS A 78 -0.325 3.520 13.231 1.00 34.14 C ATOM 1332 CE LYS A 78 0.902 3.162 14.082 1.00 51.30 C ATOM 1333 NZ LYS A 78 1.710 4.345 14.417 1.00 3.34 N1+ ATOM 0 H LYS A 78 -3.015 6.708 12.332 1.00 34.45 H new ATOM 0 HA LYS A 78 -2.325 4.004 11.378 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -3.323 5.149 14.030 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -3.123 3.435 13.725 1.00 24.04 H new ATOM 0 HG2 LYS A 78 -0.910 5.524 13.769 1.00 12.42 H new ATOM 0 HG3 LYS A 78 -1.235 4.330 15.010 1.00 12.42 H new ATOM 0 HD2 LYS A 78 -0.873 2.609 12.990 1.00 34.14 H new ATOM 0 HD3 LYS A 78 0.007 3.952 12.287 1.00 34.14 H new ATOM 0 HE2 LYS A 78 0.575 2.675 15.001 1.00 51.30 H new ATOM 0 HE3 LYS A 78 1.519 2.443 13.543 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 2.357 4.114 15.197 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 2.261 4.636 13.585 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 1.083 5.123 14.706 1.00 3.34 H new ATOM 1347 N VAL A 79 -4.667 3.131 11.109 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.975 2.658 10.655 1.00 74.43 C ATOM 1349 C VAL A 79 -6.069 1.122 10.725 1.00 74.30 C ATOM 1350 O VAL A 79 -5.264 0.430 10.100 1.00 24.50 O ATOM 1351 CB VAL A 79 -6.309 3.107 9.195 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -6.981 4.489 9.131 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -5.100 3.057 8.234 1.00 71.32 C ATOM 0 H VAL A 79 -3.935 2.427 11.012 1.00 4.14 H new ATOM 0 HA VAL A 79 -6.700 3.111 11.332 1.00 74.43 H new ATOM 0 HB VAL A 79 -7.027 2.364 8.848 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -7.188 4.745 8.092 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -7.915 4.466 9.692 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -6.317 5.237 9.564 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -5.411 3.382 7.241 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -4.314 3.717 8.603 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -4.721 2.037 8.179 1.00 71.32 H new ATOM 1363 N LYS A 80 -7.077 0.624 11.466 1.00 63.33 N ATOM 1364 CA LYS A 80 -7.475 -0.788 11.495 1.00 34.21 C ATOM 1365 C LYS A 80 -8.160 -1.209 10.186 1.00 52.24 C ATOM 1366 O LYS A 80 -8.974 -0.455 9.650 1.00 75.41 O ATOM 1367 CB LYS A 80 -8.371 -1.074 12.721 1.00 34.34 C ATOM 1368 CG LYS A 80 -7.562 -1.359 13.998 1.00 31.13 C ATOM 1369 CD LYS A 80 -8.405 -1.441 15.287 1.00 52.13 C ATOM 1370 CE LYS A 80 -9.543 -2.482 15.282 1.00 31.42 C ATOM 1371 NZ LYS A 80 -9.045 -3.860 15.133 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.648 1.210 12.074 1.00 63.33 H new ATOM 0 HA LYS A 80 -6.572 -1.391 11.589 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -9.025 -0.220 12.894 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -9.013 -1.928 12.505 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -7.025 -2.299 13.870 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -6.812 -0.578 14.119 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -7.739 -1.664 16.120 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -8.838 -0.459 15.478 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -10.109 -2.402 16.210 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -10.233 -2.258 14.468 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -9.847 -4.505 14.982 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -8.402 -3.911 14.317 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -8.533 -4.139 15.994 1.00 4.01 H new ATOM 1385 N THR A 81 -7.801 -2.408 9.707 1.00 10.31 N ATOM 1386 CA THR A 81 -8.207 -2.937 8.409 1.00 71.10 C ATOM 1387 C THR A 81 -7.880 -4.446 8.318 1.00 11.10 C ATOM 1388 O THR A 81 -7.166 -4.965 9.177 1.00 2.42 O ATOM 1389 CB THR A 81 -7.482 -2.169 7.263 1.00 64.15 C ATOM 1390 OG1 THR A 81 -8.023 -2.498 6.004 1.00 65.32 O ATOM 1391 CG2 THR A 81 -5.961 -2.397 7.185 1.00 11.32 C ATOM 0 H THR A 81 -7.204 -3.049 10.230 1.00 10.31 H new ATOM 0 HA THR A 81 -9.283 -2.801 8.302 1.00 71.10 H new ATOM 0 HB THR A 81 -7.648 -1.121 7.513 1.00 64.15 H new ATOM 0 HG1 THR A 81 -7.299 -2.743 5.391 1.00 65.32 H new ATOM 0 HG21 THR A 81 -5.549 -1.821 6.357 1.00 11.32 H new ATOM 0 HG22 THR A 81 -5.497 -2.076 8.117 1.00 11.32 H new ATOM 0 HG23 THR A 81 -5.760 -3.456 7.026 1.00 11.32 H new ATOM 1399 N VAL A 82 -8.390 -5.110 7.268 1.00 12.10 N ATOM 1400 CA VAL A 82 -8.071 -6.493 6.919 1.00 65.00 C ATOM 1401 C VAL A 82 -7.592 -6.516 5.457 1.00 15.30 C ATOM 1402 O VAL A 82 -8.269 -5.954 4.592 1.00 20.31 O ATOM 1403 CB VAL A 82 -9.321 -7.419 7.007 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.987 -8.892 6.698 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -10.018 -7.345 8.375 1.00 75.14 C ATOM 0 H VAL A 82 -9.054 -4.682 6.623 1.00 12.10 H new ATOM 0 HA VAL A 82 -7.315 -6.852 7.617 1.00 65.00 H new ATOM 0 HB VAL A 82 -10.002 -7.042 6.244 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.893 -9.494 6.773 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -8.583 -8.969 5.689 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -8.249 -9.256 7.413 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.882 -8.010 8.380 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -9.321 -7.650 9.155 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -10.346 -6.322 8.561 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.462 -7.200 5.204 1.00 41.31 N ATOM 1416 CA VAL A 83 -5.944 -7.431 3.856 1.00 54.31 C ATOM 1417 C VAL A 83 -6.332 -8.848 3.391 1.00 42.34 C ATOM 1418 O VAL A 83 -6.271 -9.790 4.181 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.393 -7.312 3.797 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -3.818 -7.562 2.385 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -3.896 -5.950 4.322 1.00 52.03 C ATOM 0 H VAL A 83 -5.883 -7.608 5.938 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.378 -6.669 3.209 1.00 54.31 H new ATOM 0 HB VAL A 83 -4.024 -8.101 4.452 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -2.733 -7.464 2.412 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -4.084 -8.567 2.056 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.231 -6.832 1.689 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -2.808 -5.912 4.262 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -4.321 -5.150 3.716 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -4.207 -5.824 5.359 1.00 52.03 H new ATOM 1431 N GLN A 84 -6.689 -8.958 2.104 1.00 61.33 N ATOM 1432 CA GLN A 84 -6.965 -10.207 1.399 1.00 41.54 C ATOM 1433 C GLN A 84 -6.225 -10.267 0.059 1.00 4.15 C ATOM 1434 O GLN A 84 -5.692 -9.255 -0.392 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.495 -10.382 1.225 1.00 50.45 C ATOM 1436 CG GLN A 84 -9.195 -11.041 2.432 1.00 14.11 C ATOM 1437 CD GLN A 84 -8.769 -12.493 2.689 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -8.122 -13.131 1.858 1.00 4.12 O ATOM 1439 NE2 GLN A 84 -9.151 -13.032 3.846 1.00 32.13 N ATOM 0 H GLN A 84 -6.797 -8.140 1.504 1.00 61.33 H new ATOM 0 HA GLN A 84 -6.592 -11.039 1.996 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -8.944 -9.405 1.047 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -8.682 -10.985 0.336 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -8.989 -10.450 3.325 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -10.273 -11.013 2.273 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -9.686 -12.478 4.515 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -8.908 -13.999 4.063 1.00 32.13 H new ATOM 1448 N LEU A 85 -6.222 -11.463 -0.549 1.00 40.43 N ATOM 1449 CA LEU A 85 -5.705 -11.722 -1.892 1.00 51.31 C ATOM 1450 C LEU A 85 -6.858 -12.322 -2.709 1.00 54.41 C ATOM 1451 O LEU A 85 -7.466 -13.296 -2.259 1.00 41.12 O ATOM 1452 CB LEU A 85 -4.484 -12.672 -1.786 1.00 65.52 C ATOM 1453 CG LEU A 85 -3.461 -12.570 -2.946 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -2.099 -13.144 -2.506 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -3.953 -13.223 -4.252 1.00 64.25 C ATOM 0 H LEU A 85 -6.593 -12.301 -0.101 1.00 40.43 H new ATOM 0 HA LEU A 85 -5.358 -10.817 -2.390 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -3.967 -12.468 -0.849 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -4.847 -13.698 -1.733 1.00 65.52 H new ATOM 0 HG LEU A 85 -3.343 -11.511 -3.175 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -1.389 -13.067 -3.329 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -1.726 -12.581 -1.651 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -2.218 -14.191 -2.227 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -3.189 -13.116 -5.022 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -4.148 -14.281 -4.079 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -4.870 -12.734 -4.580 1.00 64.25 H new ATOM 1467 N GLU A 86 -7.146 -11.732 -3.882 1.00 40.40 N ATOM 1468 CA GLU A 86 -8.274 -12.110 -4.745 1.00 12.40 C ATOM 1469 C GLU A 86 -7.983 -13.288 -5.707 1.00 63.23 C ATOM 1470 O GLU A 86 -8.728 -13.470 -6.670 1.00 40.13 O ATOM 1471 CB GLU A 86 -8.830 -10.857 -5.460 1.00 41.14 C ATOM 1472 CG GLU A 86 -7.868 -10.184 -6.457 1.00 61.31 C ATOM 1473 CD GLU A 86 -8.523 -9.009 -7.186 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -9.519 -9.263 -7.899 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -8.018 -7.878 -7.023 1.00 12.13 O1- ATOM 0 H GLU A 86 -6.590 -10.966 -4.262 1.00 40.40 H new ATOM 0 HA GLU A 86 -9.053 -12.511 -4.096 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -9.740 -11.136 -5.991 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -9.114 -10.124 -4.705 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -6.984 -9.833 -5.926 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -7.530 -10.920 -7.187 1.00 61.31 H new ATOM 1482 N GLY A 87 -6.936 -14.082 -5.425 1.00 52.41 N ATOM 1483 CA GLY A 87 -6.586 -15.303 -6.157 1.00 62.21 C ATOM 1484 C GLY A 87 -5.994 -15.040 -7.551 1.00 53.52 C ATOM 1485 O GLY A 87 -5.999 -15.952 -8.375 1.00 50.23 O ATOM 0 H GLY A 87 -6.293 -13.883 -4.658 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -5.868 -15.875 -5.569 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -7.477 -15.921 -6.261 1.00 62.21 H new ATOM 1489 N ASP A 88 -5.511 -13.814 -7.823 1.00 71.04 N ATOM 1490 CA ASP A 88 -5.039 -13.379 -9.140 1.00 30.21 C ATOM 1491 C ASP A 88 -3.826 -12.445 -8.968 1.00 42.45 C ATOM 1492 O ASP A 88 -3.791 -11.373 -9.574 1.00 71.24 O ATOM 1493 CB ASP A 88 -6.205 -12.761 -9.961 1.00 73.41 C ATOM 1494 CG ASP A 88 -5.884 -12.423 -11.426 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -6.583 -11.537 -11.965 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -4.985 -13.078 -11.999 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.439 -13.085 -7.113 1.00 71.04 H new ATOM 0 HA ASP A 88 -4.695 -14.233 -9.723 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -7.045 -13.455 -9.943 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -6.534 -11.850 -9.461 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.845 -12.863 -8.138 1.00 55.11 N ATOM 1502 CA ASN A 89 -1.598 -12.138 -7.807 1.00 54.15 C ATOM 1503 C ASN A 89 -1.808 -10.650 -7.444 1.00 13.15 C ATOM 1504 O ASN A 89 -1.006 -9.796 -7.820 1.00 32.05 O ATOM 1505 CB ASN A 89 -0.437 -12.405 -8.821 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.824 -12.642 -10.290 1.00 34.24 C ATOM 1507 OD1 ASN A 89 -1.180 -13.757 -10.667 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.755 -11.606 -11.125 1.00 72.24 N ATOM 0 H ASN A 89 -2.904 -13.760 -7.657 1.00 55.11 H new ATOM 0 HA ASN A 89 -1.252 -12.581 -6.873 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.245 -11.555 -8.785 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.120 -13.275 -8.474 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -1.001 -11.726 -12.108 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -0.456 -10.693 -10.782 1.00 72.24 H new ATOM 1515 N LYS A 90 -2.913 -10.380 -6.732 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.418 -9.052 -6.411 1.00 43.31 C ATOM 1517 C LYS A 90 -3.877 -9.031 -4.952 1.00 61.44 C ATOM 1518 O LYS A 90 -4.777 -9.795 -4.599 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.597 -8.711 -7.352 1.00 43.14 C ATOM 1520 CG LYS A 90 -4.204 -8.211 -8.749 1.00 44.14 C ATOM 1521 CD LYS A 90 -5.431 -8.070 -9.666 1.00 4.11 C ATOM 1522 CE LYS A 90 -5.094 -7.546 -11.069 1.00 2.42 C ATOM 1523 NZ LYS A 90 -4.339 -8.538 -11.853 1.00 43.54 N1+ ATOM 0 H LYS A 90 -3.500 -11.122 -6.350 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.633 -8.309 -6.548 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -5.218 -9.600 -7.465 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -5.213 -7.950 -6.873 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.701 -7.248 -8.663 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -3.492 -8.904 -9.197 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -5.919 -9.040 -9.757 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -6.148 -7.395 -9.198 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -6.015 -7.292 -11.594 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -4.511 -6.629 -10.985 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -4.129 -8.149 -12.795 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -3.449 -8.762 -11.364 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -4.905 -9.404 -11.954 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.281 -8.137 -4.151 1.00 54.14 N ATOM 1538 CA LEU A 91 -3.712 -7.849 -2.782 1.00 71.14 C ATOM 1539 C LEU A 91 -4.736 -6.706 -2.791 1.00 73.50 C ATOM 1540 O LEU A 91 -4.587 -5.748 -3.550 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.493 -7.495 -1.906 1.00 34.10 C ATOM 1542 CG LEU A 91 -1.575 -8.691 -1.585 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -0.233 -8.214 -1.002 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -2.255 -9.706 -0.652 1.00 11.33 C ATOM 0 H LEU A 91 -2.474 -7.587 -4.444 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.187 -8.734 -2.358 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -1.907 -6.728 -2.412 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -2.846 -7.061 -0.970 1.00 34.10 H new ATOM 0 HG LEU A 91 -1.375 -9.205 -2.525 1.00 33.12 H new ATOM 0 HD11 LEU A 91 0.396 -9.077 -0.784 1.00 43.11 H new ATOM 0 HD12 LEU A 91 0.270 -7.571 -1.725 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -0.413 -7.655 -0.084 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -1.572 -10.532 -0.453 1.00 11.33 H new ATOM 0 HD22 LEU A 91 -2.518 -9.218 0.287 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -3.158 -10.089 -1.127 1.00 11.33 H new ATOM 1556 N VAL A 92 -5.756 -6.839 -1.934 1.00 32.00 N ATOM 1557 CA VAL A 92 -6.888 -5.926 -1.822 1.00 22.23 C ATOM 1558 C VAL A 92 -7.086 -5.575 -0.338 1.00 44.13 C ATOM 1559 O VAL A 92 -7.005 -6.465 0.510 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.194 -6.600 -2.344 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.454 -5.719 -2.196 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.057 -7.055 -3.809 1.00 33.22 C ATOM 0 H VAL A 92 -5.813 -7.617 -1.277 1.00 32.00 H new ATOM 0 HA VAL A 92 -6.684 -5.035 -2.416 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.330 -7.471 -1.703 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.321 -6.256 -2.581 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.611 -5.483 -1.144 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.320 -4.795 -2.759 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -8.988 -7.519 -4.134 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -7.842 -6.192 -4.439 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -7.244 -7.776 -3.892 1.00 33.22 H new ATOM 1572 N THR A 93 -7.372 -4.295 -0.056 1.00 63.53 N ATOM 1573 CA THR A 93 -7.681 -3.818 1.291 1.00 13.43 C ATOM 1574 C THR A 93 -8.429 -2.473 1.238 1.00 2.45 C ATOM 1575 O THR A 93 -8.142 -1.644 0.377 1.00 12.21 O ATOM 1576 CB THR A 93 -6.406 -3.719 2.184 1.00 65.32 C ATOM 1577 OG1 THR A 93 -6.739 -3.320 3.495 1.00 23.40 O ATOM 1578 CG2 THR A 93 -5.314 -2.750 1.707 1.00 32.30 C ATOM 0 H THR A 93 -7.394 -3.561 -0.764 1.00 63.53 H new ATOM 0 HA THR A 93 -8.337 -4.555 1.754 1.00 13.43 H new ATOM 0 HB THR A 93 -5.999 -4.729 2.129 1.00 65.32 H new ATOM 0 HG1 THR A 93 -7.205 -4.051 3.951 1.00 23.40 H new ATOM 0 HG21 THR A 93 -4.480 -2.768 2.408 1.00 32.30 H new ATOM 0 HG22 THR A 93 -4.965 -3.053 0.720 1.00 32.30 H new ATOM 0 HG23 THR A 93 -5.721 -1.740 1.654 1.00 32.30 H new ATOM 1586 N THR A 94 -9.378 -2.294 2.168 1.00 31.54 N ATOM 1587 CA THR A 94 -10.125 -1.057 2.383 1.00 61.25 C ATOM 1588 C THR A 94 -10.037 -0.723 3.881 1.00 52.21 C ATOM 1589 O THR A 94 -10.512 -1.498 4.714 1.00 72.24 O ATOM 1590 CB THR A 94 -11.626 -1.195 1.994 1.00 73.32 C ATOM 1591 OG1 THR A 94 -12.222 -2.348 2.563 1.00 22.12 O ATOM 1592 CG2 THR A 94 -11.868 -1.249 0.480 1.00 71.41 C ATOM 0 H THR A 94 -9.653 -3.036 2.812 1.00 31.54 H new ATOM 0 HA THR A 94 -9.695 -0.276 1.755 1.00 61.25 H new ATOM 0 HB THR A 94 -12.085 -0.291 2.393 1.00 73.32 H new ATOM 0 HG1 THR A 94 -11.874 -2.483 3.469 1.00 22.12 H new ATOM 0 HG21 THR A 94 -12.936 -1.345 0.285 1.00 71.41 H new ATOM 0 HG22 THR A 94 -11.496 -0.334 0.019 1.00 71.41 H new ATOM 0 HG23 THR A 94 -11.344 -2.106 0.058 1.00 71.41 H new ATOM 1600 N PHE A 95 -9.419 0.429 4.191 1.00 12.34 N ATOM 1601 CA PHE A 95 -9.286 0.954 5.554 1.00 32.24 C ATOM 1602 C PHE A 95 -10.652 1.407 6.095 1.00 42.34 C ATOM 1603 O PHE A 95 -11.078 0.939 7.149 1.00 52.11 O ATOM 1604 CB PHE A 95 -8.248 2.096 5.587 1.00 51.52 C ATOM 1605 CG PHE A 95 -6.866 1.730 5.069 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -6.497 2.041 3.745 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -5.984 0.961 5.855 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -5.256 1.666 3.254 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -4.742 0.595 5.347 1.00 31.44 C ATOM 1610 CZ PHE A 95 -4.379 0.949 4.055 1.00 4.31 C ATOM 0 H PHE A 95 -8.991 1.030 3.486 1.00 12.34 H new ATOM 0 HA PHE A 95 -8.926 0.159 6.207 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -8.630 2.930 4.998 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -8.152 2.449 6.614 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -7.186 2.576 3.108 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -6.272 0.656 6.850 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -4.972 1.932 2.247 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -4.056 0.032 5.962 1.00 31.44 H new ATOM 0 HZ PHE A 95 -3.410 0.665 3.672 1.00 4.31 H new ATOM 1620 N LYS A 96 -11.320 2.253 5.297 1.00 53.44 N ATOM 1621 CA LYS A 96 -12.730 2.607 5.373 1.00 45.34 C ATOM 1622 C LYS A 96 -13.140 2.904 3.921 1.00 4.11 C ATOM 1623 O LYS A 96 -13.319 1.974 3.135 1.00 13.52 O ATOM 1624 CB LYS A 96 -12.983 3.792 6.346 1.00 23.43 C ATOM 1625 CG LYS A 96 -12.877 3.463 7.841 1.00 21.04 C ATOM 1626 CD LYS A 96 -13.392 4.617 8.719 1.00 75.14 C ATOM 1627 CE LYS A 96 -13.313 4.335 10.227 1.00 20.32 C ATOM 1628 NZ LYS A 96 -11.919 4.208 10.689 1.00 11.43 N1+ ATOM 0 H LYS A 96 -10.850 2.737 4.532 1.00 53.44 H new ATOM 0 HA LYS A 96 -13.338 1.804 5.790 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -12.271 4.584 6.116 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -13.978 4.192 6.151 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -13.449 2.560 8.056 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -11.838 3.250 8.093 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -12.815 5.515 8.497 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -14.428 4.829 8.453 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -13.805 5.140 10.773 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -13.856 3.417 10.454 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -11.906 4.069 11.720 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -11.472 3.392 10.224 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -11.394 5.073 10.450 1.00 11.43 H new ATOM 1642 N ASN A 97 -13.231 4.202 3.593 1.00 10.42 N ATOM 1643 CA ASN A 97 -13.464 4.771 2.264 1.00 75.11 C ATOM 1644 C ASN A 97 -12.218 4.752 1.355 1.00 61.01 C ATOM 1645 O ASN A 97 -12.379 4.842 0.139 1.00 22.13 O ATOM 1646 CB ASN A 97 -14.039 6.206 2.417 1.00 25.42 C ATOM 1647 CG ASN A 97 -13.245 7.144 3.342 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -13.126 6.900 4.543 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -12.714 8.237 2.795 1.00 5.41 N ATOM 0 H ASN A 97 -13.137 4.929 4.302 1.00 10.42 H new ATOM 0 HA ASN A 97 -14.190 4.135 1.757 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -14.097 6.662 1.429 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -15.059 6.131 2.794 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -12.194 8.896 3.374 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -12.828 8.415 1.797 1.00 5.41 H new ATOM 1656 N ILE A 98 -11.012 4.636 1.943 1.00 61.54 N ATOM 1657 CA ILE A 98 -9.747 4.528 1.216 1.00 2.05 C ATOM 1658 C ILE A 98 -9.557 3.066 0.774 1.00 35.23 C ATOM 1659 O ILE A 98 -9.196 2.217 1.590 1.00 55.31 O ATOM 1660 CB ILE A 98 -8.524 4.966 2.080 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -8.664 6.419 2.583 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -7.170 4.804 1.341 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -7.682 6.794 3.702 1.00 5.42 C ATOM 0 H ILE A 98 -10.895 4.615 2.956 1.00 61.54 H new ATOM 0 HA ILE A 98 -9.795 5.198 0.357 1.00 2.05 H new ATOM 0 HB ILE A 98 -8.522 4.291 2.936 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -8.517 7.098 1.743 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -9.682 6.571 2.942 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -6.358 5.125 1.994 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -7.026 3.758 1.071 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -7.173 5.415 0.438 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -7.846 7.830 3.998 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -7.842 6.142 4.560 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -6.659 6.677 3.343 1.00 5.42 H new ATOM 1675 N LYS A 99 -9.822 2.808 -0.514 1.00 53.13 N ATOM 1676 CA LYS A 99 -9.606 1.526 -1.174 1.00 15.10 C ATOM 1677 C LYS A 99 -8.181 1.466 -1.742 1.00 10.35 C ATOM 1678 O LYS A 99 -7.638 2.492 -2.148 1.00 24.53 O ATOM 1679 CB LYS A 99 -10.696 1.351 -2.253 1.00 51.34 C ATOM 1680 CG LYS A 99 -10.650 0.008 -3.011 1.00 22.43 C ATOM 1681 CD LYS A 99 -11.868 -0.241 -3.917 1.00 32.12 C ATOM 1682 CE LYS A 99 -13.168 -0.528 -3.143 1.00 42.11 C ATOM 1683 NZ LYS A 99 -14.285 -0.811 -4.059 1.00 33.01 N1+ ATOM 0 H LYS A 99 -10.206 3.515 -1.141 1.00 53.13 H new ATOM 0 HA LYS A 99 -9.690 0.697 -0.471 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -11.673 1.452 -1.781 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -10.605 2.162 -2.975 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -9.746 -0.024 -3.619 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -10.576 -0.804 -2.287 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -12.020 0.630 -4.554 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -11.654 -1.083 -4.575 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -13.017 -1.378 -2.477 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -13.417 0.328 -2.516 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -15.146 -1.000 -3.508 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -14.443 0.010 -4.678 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -14.056 -1.643 -4.640 1.00 33.01 H new ATOM 1697 N SER A 100 -7.609 0.256 -1.739 1.00 21.55 N ATOM 1698 CA SER A 100 -6.260 -0.043 -2.204 1.00 50.10 C ATOM 1699 C SER A 100 -6.325 -1.360 -2.985 1.00 4.35 C ATOM 1700 O SER A 100 -6.836 -2.351 -2.462 1.00 70.42 O ATOM 1701 CB SER A 100 -5.320 -0.180 -0.994 1.00 11.03 C ATOM 1702 OG SER A 100 -5.242 1.025 -0.262 1.00 24.44 O ATOM 0 H SER A 100 -8.098 -0.572 -1.398 1.00 21.55 H new ATOM 0 HA SER A 100 -5.878 0.753 -2.843 1.00 50.10 H new ATOM 0 HB2 SER A 100 -5.675 -0.980 -0.344 1.00 11.03 H new ATOM 0 HB3 SER A 100 -4.325 -0.465 -1.335 1.00 11.03 H new ATOM 0 HG SER A 100 -4.639 0.906 0.501 1.00 24.44 H new ATOM 1708 N VAL A 101 -5.810 -1.334 -4.222 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.807 -2.463 -5.148 1.00 23.22 C ATOM 1710 C VAL A 101 -4.380 -2.590 -5.704 1.00 63.20 C ATOM 1711 O VAL A 101 -3.996 -1.862 -6.620 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.823 -2.258 -6.311 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -6.810 -3.409 -7.342 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -8.258 -2.058 -5.788 1.00 60.44 C ATOM 0 H VAL A 101 -5.372 -0.500 -4.613 1.00 45.05 H new ATOM 0 HA VAL A 101 -6.110 -3.370 -4.625 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.494 -1.352 -6.819 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -7.540 -3.204 -8.125 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -5.817 -3.490 -7.784 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -7.064 -4.345 -6.845 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.936 -1.918 -6.630 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.563 -2.936 -5.218 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -8.292 -1.178 -5.145 1.00 60.44 H new ATOM 1724 N THR A 102 -3.614 -3.505 -5.095 1.00 1.42 N ATOM 1725 CA THR A 102 -2.239 -3.833 -5.466 1.00 32.21 C ATOM 1726 C THR A 102 -2.221 -5.038 -6.422 1.00 75.43 C ATOM 1727 O THR A 102 -3.130 -5.866 -6.387 1.00 20.23 O ATOM 1728 CB THR A 102 -1.407 -4.195 -4.207 1.00 51.52 C ATOM 1729 OG1 THR A 102 -1.487 -3.138 -3.273 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.089 -4.481 -4.448 1.00 34.32 C ATOM 0 H THR A 102 -3.950 -4.054 -4.304 1.00 1.42 H new ATOM 0 HA THR A 102 -1.806 -2.960 -5.955 1.00 32.21 H new ATOM 0 HB THR A 102 -1.848 -5.125 -3.849 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.963 -3.365 -2.476 1.00 54.43 H new ATOM 0 HG21 THR A 102 0.571 -4.722 -3.500 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.193 -5.323 -5.133 1.00 34.32 H new ATOM 0 HG23 THR A 102 0.563 -3.600 -4.882 1.00 34.32 H new ATOM 1738 N GLU A 103 -1.178 -5.096 -7.254 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.933 -6.106 -8.272 1.00 73.42 C ATOM 1740 C GLU A 103 0.567 -6.419 -8.297 1.00 13.32 C ATOM 1741 O GLU A 103 1.379 -5.495 -8.268 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.416 -5.538 -9.624 1.00 53.31 C ATOM 1743 CG GLU A 103 -1.112 -6.397 -10.867 1.00 32.21 C ATOM 1744 CD GLU A 103 -1.320 -5.603 -12.152 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -2.496 -5.434 -12.539 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -0.288 -5.192 -12.727 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.440 -4.393 -7.228 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.470 -7.032 -8.065 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.494 -5.386 -9.567 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -0.963 -4.557 -9.766 1.00 53.31 H new ATOM 0 HG2 GLU A 103 -0.084 -6.756 -10.821 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -1.757 -7.276 -10.871 1.00 32.21 H new ATOM 1753 N LEU A 104 0.887 -7.710 -8.445 1.00 42.30 N ATOM 1754 CA LEU A 104 2.190 -8.221 -8.858 1.00 11.24 C ATOM 1755 C LEU A 104 2.039 -8.779 -10.281 1.00 73.12 C ATOM 1756 O LEU A 104 1.075 -9.494 -10.548 1.00 4.51 O ATOM 1757 CB LEU A 104 2.634 -9.311 -7.851 1.00 54.01 C ATOM 1758 CG LEU A 104 3.857 -10.171 -8.256 1.00 32.33 C ATOM 1759 CD1 LEU A 104 5.164 -9.357 -8.255 1.00 75.11 C ATOM 1760 CD2 LEU A 104 3.967 -11.413 -7.356 1.00 4.54 C ATOM 0 H LEU A 104 0.213 -8.455 -8.272 1.00 42.30 H new ATOM 0 HA LEU A 104 2.954 -7.444 -8.865 1.00 11.24 H new ATOM 0 HB2 LEU A 104 2.858 -8.826 -6.901 1.00 54.01 H new ATOM 0 HB3 LEU A 104 1.790 -9.979 -7.677 1.00 54.01 H new ATOM 0 HG LEU A 104 3.699 -10.505 -9.281 1.00 32.33 H new ATOM 0 HD11 LEU A 104 5.994 -10.001 -8.545 1.00 75.11 H new ATOM 0 HD12 LEU A 104 5.080 -8.533 -8.963 1.00 75.11 H new ATOM 0 HD13 LEU A 104 5.345 -8.960 -7.256 1.00 75.11 H new ATOM 0 HD21 LEU A 104 4.832 -12.004 -7.656 1.00 4.54 H new ATOM 0 HD22 LEU A 104 4.083 -11.101 -6.318 1.00 4.54 H new ATOM 0 HD23 LEU A 104 3.064 -12.015 -7.455 1.00 4.54 H new ATOM 1772 N ASN A 105 3.025 -8.488 -11.140 1.00 34.14 N ATOM 1773 CA ASN A 105 3.215 -9.084 -12.463 1.00 71.15 C ATOM 1774 C ASN A 105 4.726 -9.260 -12.657 1.00 24.52 C ATOM 1775 O ASN A 105 5.352 -8.481 -13.374 1.00 10.23 O ATOM 1776 CB ASN A 105 2.532 -8.208 -13.550 1.00 53.44 C ATOM 1777 CG ASN A 105 1.166 -8.754 -13.966 1.00 71.14 C ATOM 1778 OD1 ASN A 105 0.087 -8.258 -13.367 1.00 72.43 O flip ATOM 1779 ND2 ASN A 105 1.084 -9.621 -14.833 1.00 74.43 N flip ATOM 0 H ASN A 105 3.743 -7.799 -10.918 1.00 34.14 H new ATOM 0 HA ASN A 105 2.740 -10.061 -12.552 1.00 71.15 H new ATOM 0 HB2 ASN A 105 2.415 -7.192 -13.173 1.00 53.44 H new ATOM 0 HB3 ASN A 105 3.179 -8.150 -14.425 1.00 53.44 H new ATOM 0 HD21 ASN A 105 1.930 -9.982 -15.275 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.170 -9.979 -15.111 1.00 74.43 H new ATOM 1786 N GLY A 106 5.267 -10.306 -12.005 1.00 41.51 N ATOM 1787 CA GLY A 106 6.654 -10.753 -12.123 1.00 24.53 C ATOM 1788 C GLY A 106 7.610 -9.721 -11.518 1.00 44.41 C ATOM 1789 O GLY A 106 7.823 -9.700 -10.306 1.00 71.31 O ATOM 0 H GLY A 106 4.724 -10.879 -11.359 1.00 41.51 H new ATOM 0 HA2 GLY A 106 6.777 -11.710 -11.616 1.00 24.53 H new ATOM 0 HA3 GLY A 106 6.901 -10.914 -13.172 1.00 24.53 H new ATOM 1793 N ASP A 107 8.195 -8.886 -12.390 1.00 35.04 N ATOM 1794 CA ASP A 107 9.085 -7.781 -12.036 1.00 74.01 C ATOM 1795 C ASP A 107 8.333 -6.465 -11.750 1.00 4.24 C ATOM 1796 O ASP A 107 8.961 -5.558 -11.217 1.00 62.20 O ATOM 1797 CB ASP A 107 10.205 -7.541 -13.083 1.00 2.23 C ATOM 1798 CG ASP A 107 9.752 -7.584 -14.547 1.00 32.02 C ATOM 1799 OD1 ASP A 107 9.580 -8.710 -15.061 1.00 52.24 O ATOM 1800 OD2 ASP A 107 9.613 -6.486 -15.127 1.00 30.24 O1- ATOM 0 H ASP A 107 8.053 -8.969 -13.397 1.00 35.04 H new ATOM 0 HA ASP A 107 9.560 -8.101 -11.108 1.00 74.01 H new ATOM 0 HB2 ASP A 107 10.659 -6.569 -12.889 1.00 2.23 H new ATOM 0 HB3 ASP A 107 10.982 -8.291 -12.938 1.00 2.23 H new ATOM 1805 N ILE A 108 7.042 -6.344 -12.101 1.00 2.50 N ATOM 1806 CA ILE A 108 6.283 -5.094 -11.974 1.00 64.11 C ATOM 1807 C ILE A 108 5.335 -5.152 -10.762 1.00 2.11 C ATOM 1808 O ILE A 108 4.695 -6.178 -10.539 1.00 22.32 O ATOM 1809 CB ILE A 108 5.435 -4.820 -13.255 1.00 55.52 C ATOM 1810 CG1 ILE A 108 6.307 -4.783 -14.534 1.00 22.44 C ATOM 1811 CG2 ILE A 108 4.554 -3.547 -13.175 1.00 22.33 C ATOM 1812 CD1 ILE A 108 7.440 -3.747 -14.517 1.00 60.45 C ATOM 0 H ILE A 108 6.495 -7.116 -12.482 1.00 2.50 H new ATOM 0 HA ILE A 108 7.006 -4.290 -11.838 1.00 64.11 H new ATOM 0 HB ILE A 108 4.753 -5.668 -13.314 1.00 55.52 H new ATOM 0 HG12 ILE A 108 6.741 -5.771 -14.689 1.00 22.44 H new ATOM 0 HG13 ILE A 108 5.662 -4.580 -15.389 1.00 22.44 H new ATOM 0 HG21 ILE A 108 3.998 -3.430 -14.105 1.00 22.33 H new ATOM 0 HG22 ILE A 108 3.855 -3.640 -12.344 1.00 22.33 H new ATOM 0 HG23 ILE A 108 5.189 -2.674 -13.020 1.00 22.33 H new ATOM 0 HD11 ILE A 108 7.993 -3.798 -15.455 1.00 60.45 H new ATOM 0 HD12 ILE A 108 7.019 -2.749 -14.398 1.00 60.45 H new ATOM 0 HD13 ILE A 108 8.114 -3.958 -13.686 1.00 60.45 H new ATOM 1824 N ILE A 109 5.234 -4.022 -10.042 1.00 40.12 N ATOM 1825 CA ILE A 109 4.233 -3.772 -9.007 1.00 22.33 C ATOM 1826 C ILE A 109 3.407 -2.550 -9.436 1.00 1.23 C ATOM 1827 O ILE A 109 3.912 -1.428 -9.371 1.00 51.11 O ATOM 1828 CB ILE A 109 4.866 -3.486 -7.610 1.00 71.12 C ATOM 1829 CG1 ILE A 109 5.697 -4.675 -7.088 1.00 33.11 C ATOM 1830 CG2 ILE A 109 3.860 -3.011 -6.532 1.00 12.12 C ATOM 1831 CD1 ILE A 109 4.903 -5.954 -6.795 1.00 34.14 C ATOM 0 H ILE A 109 5.870 -3.236 -10.173 1.00 40.12 H new ATOM 0 HA ILE A 109 3.620 -4.667 -8.905 1.00 22.33 H new ATOM 0 HB ILE A 109 5.536 -2.645 -7.790 1.00 71.12 H new ATOM 0 HG12 ILE A 109 6.469 -4.907 -7.822 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.207 -4.367 -6.175 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.387 -2.836 -5.594 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.386 -2.086 -6.859 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.098 -3.776 -6.383 1.00 12.12 H new ATOM 0 HD11 ILE A 109 5.580 -6.728 -6.434 1.00 34.14 H new ATOM 0 HD12 ILE A 109 4.149 -5.748 -6.035 1.00 34.14 H new ATOM 0 HD13 ILE A 109 4.415 -6.296 -7.708 1.00 34.14 H new ATOM 1843 N THR A 110 2.153 -2.792 -9.843 1.00 33.21 N ATOM 1844 CA THR A 110 1.156 -1.738 -10.042 1.00 2.23 C ATOM 1845 C THR A 110 0.303 -1.637 -8.764 1.00 12.04 C ATOM 1846 O THR A 110 -0.015 -2.667 -8.172 1.00 75.51 O ATOM 1847 CB THR A 110 0.230 -2.029 -11.253 1.00 74.14 C ATOM 1848 OG1 THR A 110 1.021 -2.201 -12.414 1.00 72.01 O ATOM 1849 CG2 THR A 110 -0.798 -0.923 -11.554 1.00 2.10 C ATOM 0 H THR A 110 1.803 -3.729 -10.043 1.00 33.21 H new ATOM 0 HA THR A 110 1.678 -0.803 -10.248 1.00 2.23 H new ATOM 0 HB THR A 110 -0.328 -2.926 -10.984 1.00 74.14 H new ATOM 0 HG1 THR A 110 0.440 -2.387 -13.181 1.00 72.01 H new ATOM 0 HG21 THR A 110 -1.401 -1.211 -12.415 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.445 -0.782 -10.688 1.00 2.10 H new ATOM 0 HG23 THR A 110 -0.276 0.009 -11.772 1.00 2.10 H new ATOM 1857 N ASN A 111 -0.009 -0.410 -8.323 1.00 1.30 N ATOM 1858 CA ASN A 111 -0.636 -0.156 -7.026 1.00 43.31 C ATOM 1859 C ASN A 111 -1.559 1.060 -7.141 1.00 23.34 C ATOM 1860 O ASN A 111 -1.123 2.189 -6.925 1.00 30.24 O ATOM 1861 CB ASN A 111 0.480 -0.050 -5.951 1.00 72.52 C ATOM 1862 CG ASN A 111 0.023 0.333 -4.536 1.00 11.42 C ATOM 1863 OD1 ASN A 111 0.719 1.079 -3.851 1.00 15.41 O ATOM 1864 ND2 ASN A 111 -1.125 -0.172 -4.081 1.00 44.55 N ATOM 0 H ASN A 111 0.169 0.437 -8.863 1.00 1.30 H new ATOM 0 HA ASN A 111 -1.282 -0.974 -6.706 1.00 43.31 H new ATOM 0 HB2 ASN A 111 0.996 -1.009 -5.897 1.00 72.52 H new ATOM 0 HB3 ASN A 111 1.210 0.686 -6.286 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -1.447 0.059 -3.141 1.00 44.55 H new ATOM 0 HD22 ASN A 111 -1.681 -0.789 -4.673 1.00 44.55 H new ATOM 1871 N THR A 112 -2.831 0.781 -7.457 1.00 70.33 N ATOM 1872 CA THR A 112 -3.914 1.761 -7.479 1.00 53.43 C ATOM 1873 C THR A 112 -4.483 1.972 -6.064 1.00 64.33 C ATOM 1874 O THR A 112 -4.580 1.020 -5.292 1.00 23.24 O ATOM 1875 CB THR A 112 -5.064 1.289 -8.410 1.00 52.13 C ATOM 1876 OG1 THR A 112 -4.555 1.147 -9.721 1.00 1.20 O ATOM 1877 CG2 THR A 112 -6.283 2.229 -8.491 1.00 71.42 C ATOM 0 H THR A 112 -3.138 -0.158 -7.710 1.00 70.33 H new ATOM 0 HA THR A 112 -3.502 2.698 -7.853 1.00 53.43 H new ATOM 0 HB THR A 112 -5.419 0.356 -7.973 1.00 52.13 H new ATOM 0 HG1 THR A 112 -5.271 0.847 -10.319 1.00 1.20 H new ATOM 0 HG21 THR A 112 -7.025 1.805 -9.167 1.00 71.42 H new ATOM 0 HG22 THR A 112 -6.720 2.345 -7.499 1.00 71.42 H new ATOM 0 HG23 THR A 112 -5.967 3.203 -8.864 1.00 71.42 H new ATOM 1885 N MET A 113 -4.872 3.219 -5.771 1.00 51.12 N ATOM 1886 CA MET A 113 -5.643 3.613 -4.595 1.00 1.03 C ATOM 1887 C MET A 113 -6.819 4.486 -5.054 1.00 4.14 C ATOM 1888 O MET A 113 -6.716 5.154 -6.081 1.00 24.23 O ATOM 1889 CB MET A 113 -4.753 4.396 -3.607 1.00 21.14 C ATOM 1890 CG MET A 113 -3.599 3.587 -2.993 1.00 14.13 C ATOM 1891 SD MET A 113 -2.438 4.565 -1.998 1.00 42.25 S ATOM 1892 CE MET A 113 -3.516 5.110 -0.647 1.00 63.21 C ATOM 0 H MET A 113 -4.647 4.010 -6.374 1.00 51.12 H new ATOM 0 HA MET A 113 -6.016 2.725 -4.084 1.00 1.03 H new ATOM 0 HB2 MET A 113 -4.336 5.261 -4.123 1.00 21.14 H new ATOM 0 HB3 MET A 113 -5.379 4.777 -2.800 1.00 21.14 H new ATOM 0 HG2 MET A 113 -4.018 2.798 -2.368 1.00 14.13 H new ATOM 0 HG3 MET A 113 -3.047 3.099 -3.796 1.00 14.13 H new ATOM 0 HE1 MET A 113 -2.918 5.602 0.120 1.00 63.21 H new ATOM 0 HE2 MET A 113 -4.257 5.810 -1.033 1.00 63.21 H new ATOM 0 HE3 MET A 113 -4.022 4.247 -0.215 1.00 63.21 H new ATOM 1902 N THR A 114 -7.908 4.485 -4.273 1.00 31.21 N ATOM 1903 CA THR A 114 -9.068 5.346 -4.493 1.00 32.02 C ATOM 1904 C THR A 114 -9.586 5.833 -3.132 1.00 0.44 C ATOM 1905 O THR A 114 -10.073 5.026 -2.342 1.00 11.44 O ATOM 1906 CB THR A 114 -10.215 4.620 -5.251 1.00 42.22 C ATOM 1907 OG1 THR A 114 -9.762 4.245 -6.538 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.495 5.458 -5.440 1.00 33.33 C ATOM 0 H THR A 114 -8.005 3.876 -3.461 1.00 31.21 H new ATOM 0 HA THR A 114 -8.750 6.183 -5.115 1.00 32.02 H new ATOM 0 HB THR A 114 -10.476 3.765 -4.627 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.483 3.786 -7.017 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.239 4.870 -5.978 1.00 33.33 H new ATOM 0 HG22 THR A 114 -11.892 5.741 -4.465 1.00 33.33 H new ATOM 0 HG23 THR A 114 -11.261 6.357 -6.011 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.473 7.149 -2.907 1.00 10.34 N ATOM 1917 CA LEU A 115 -9.953 7.852 -1.721 1.00 5.52 C ATOM 1918 C LEU A 115 -10.895 8.962 -2.182 1.00 24.12 C ATOM 1919 O LEU A 115 -10.458 9.822 -2.948 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.739 8.431 -0.951 1.00 61.42 C ATOM 1921 CG LEU A 115 -9.032 9.557 0.076 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -10.107 9.203 1.122 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -7.741 10.033 0.747 1.00 4.21 C ATOM 0 H LEU A 115 -9.025 7.774 -3.577 1.00 10.34 H new ATOM 0 HA LEU A 115 -10.490 7.181 -1.051 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -8.248 7.612 -0.426 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -8.026 8.814 -1.681 1.00 61.42 H new ATOM 0 HG LEU A 115 -9.458 10.377 -0.503 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -10.248 10.046 1.799 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -11.047 8.982 0.617 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -9.787 8.330 1.691 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -7.972 10.822 1.462 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -7.272 9.198 1.267 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -7.058 10.418 -0.010 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.128 8.963 -1.644 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.123 10.017 -1.837 1.00 30.35 C ATOM 1937 C GLY A 116 -13.507 10.134 -3.315 1.00 51.00 C ATOM 1938 O GLY A 116 -14.295 9.335 -3.816 1.00 22.24 O ATOM 0 H GLY A 116 -12.463 8.206 -1.047 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.010 9.800 -1.242 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -12.726 10.968 -1.483 1.00 30.35 H new ATOM 1942 N ASP A 117 -12.933 11.148 -3.980 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.157 11.511 -5.382 1.00 14.31 C ATOM 1944 C ASP A 117 -11.880 11.388 -6.249 1.00 43.04 C ATOM 1945 O ASP A 117 -11.955 11.672 -7.445 1.00 1.34 O ATOM 1946 CB ASP A 117 -13.806 12.918 -5.518 1.00 3.04 C ATOM 1947 CG ASP A 117 -13.329 13.962 -4.499 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -12.173 14.413 -4.645 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -14.134 14.303 -3.605 1.00 23.23 O1- ATOM 0 H ASP A 117 -12.263 11.769 -3.526 1.00 63.23 H new ATOM 0 HA ASP A 117 -13.866 10.781 -5.773 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -13.607 13.296 -6.521 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -14.887 12.812 -5.426 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.741 10.975 -5.660 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.422 10.963 -6.301 1.00 44.24 C ATOM 1956 C ILE A 118 -8.928 9.512 -6.452 1.00 5.21 C ATOM 1957 O ILE A 118 -9.060 8.728 -5.511 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.348 11.717 -5.451 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -8.844 13.083 -4.914 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -7.051 11.926 -6.267 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -9.523 13.002 -3.537 1.00 24.45 C ATOM 0 H ILE A 118 -10.718 10.632 -4.700 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.540 11.457 -7.266 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.148 11.081 -4.589 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -7.997 13.767 -4.851 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -9.546 13.510 -5.630 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.318 12.452 -5.656 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.648 10.958 -6.564 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -7.272 12.515 -7.157 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -9.842 13.998 -3.230 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -10.391 12.345 -3.597 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -8.818 12.605 -2.806 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.340 9.199 -7.620 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.781 7.885 -7.942 1.00 54.42 C ATOM 1975 C VAL A 119 -6.273 8.028 -8.226 1.00 43.45 C ATOM 1976 O VAL A 119 -5.890 8.460 -9.314 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.477 7.247 -9.182 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -7.879 5.882 -9.589 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -9.992 7.088 -8.956 1.00 54.54 C ATOM 0 H VAL A 119 -8.241 9.872 -8.380 1.00 72.05 H new ATOM 0 HA VAL A 119 -7.950 7.231 -7.087 1.00 54.42 H new ATOM 0 HB VAL A 119 -8.296 7.943 -10.001 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -8.411 5.496 -10.459 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -6.824 6.006 -9.835 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -7.979 5.180 -8.761 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -10.447 6.640 -9.840 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -10.166 6.445 -8.093 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.437 8.066 -8.775 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.452 7.650 -7.236 1.00 2.03 N ATOM 1990 CA PHE A 120 -3.993 7.571 -7.324 1.00 51.53 C ATOM 1991 C PHE A 120 -3.535 6.225 -7.915 1.00 21.53 C ATOM 1992 O PHE A 120 -4.214 5.221 -7.713 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.429 7.820 -5.907 1.00 62.43 C ATOM 1994 CG PHE A 120 -1.938 7.620 -5.701 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -1.437 6.431 -5.131 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -1.030 8.573 -6.201 1.00 1.44 C ATOM 1997 CE1 PHE A 120 -0.067 6.252 -4.989 1.00 44.00 C ATOM 1998 CE2 PHE A 120 0.335 8.368 -6.065 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.815 7.225 -5.441 1.00 63.23 C ATOM 0 H PHE A 120 -5.803 7.381 -6.317 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.608 8.329 -8.006 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -3.674 8.843 -5.623 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -3.955 7.163 -5.215 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -2.119 5.660 -4.805 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -1.396 9.463 -6.690 1.00 1.44 H new ATOM 0 HE1 PHE A 120 0.314 5.354 -4.526 1.00 44.00 H new ATOM 0 HE2 PHE A 120 1.029 9.102 -6.447 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.878 7.092 -5.306 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.374 6.217 -8.593 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.662 4.996 -8.983 1.00 24.41 C ATOM 2011 C LYS A 121 -0.161 5.151 -8.717 1.00 1.12 C ATOM 2012 O LYS A 121 0.363 6.264 -8.695 1.00 5.40 O ATOM 2013 CB LYS A 121 -1.888 4.629 -10.467 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.335 4.271 -10.858 1.00 13.52 C ATOM 2015 CD LYS A 121 -4.082 5.409 -11.570 1.00 1.43 C ATOM 2016 CE LYS A 121 -3.631 5.590 -13.031 1.00 11.33 C ATOM 2017 NZ LYS A 121 -4.274 6.756 -13.653 1.00 31.52 N1+ ATOM 0 H LYS A 121 -1.901 7.071 -8.887 1.00 14.14 H new ATOM 0 HA LYS A 121 -2.067 4.185 -8.377 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -1.563 5.468 -11.082 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -1.245 3.784 -10.714 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -3.320 3.396 -11.507 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -3.886 3.992 -9.960 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -5.153 5.206 -11.547 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -3.922 6.340 -11.026 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -2.548 5.708 -13.066 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -3.872 4.693 -13.601 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -3.948 6.849 -14.636 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -5.306 6.631 -13.641 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -4.023 7.615 -13.123 1.00 31.52 H new ATOM 2031 N ARG A 122 0.502 3.995 -8.576 1.00 54.11 N ATOM 2032 CA ARG A 122 1.945 3.857 -8.461 1.00 51.51 C ATOM 2033 C ARG A 122 2.393 2.672 -9.319 1.00 51.43 C ATOM 2034 O ARG A 122 1.682 1.671 -9.404 1.00 64.24 O ATOM 2035 CB ARG A 122 2.343 3.679 -6.976 1.00 71.25 C ATOM 2036 CG ARG A 122 3.367 4.737 -6.542 1.00 23.43 C ATOM 2037 CD ARG A 122 3.889 4.577 -5.108 1.00 72.20 C ATOM 2038 NE ARG A 122 4.871 3.490 -4.994 1.00 11.34 N ATOM 2039 CZ ARG A 122 5.351 2.977 -3.848 1.00 52.00 C ATOM 2040 NH1 ARG A 122 4.915 3.402 -2.652 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 6.292 2.026 -3.905 1.00 41.43 N ATOM 0 H ARG A 122 0.019 3.097 -8.538 1.00 54.11 H new ATOM 0 HA ARG A 122 2.445 4.755 -8.822 1.00 51.51 H new ATOM 0 HB2 ARG A 122 1.455 3.751 -6.348 1.00 71.25 H new ATOM 0 HB3 ARG A 122 2.760 2.683 -6.826 1.00 71.25 H new ATOM 0 HG2 ARG A 122 4.214 4.705 -7.228 1.00 23.43 H new ATOM 0 HG3 ARG A 122 2.914 5.723 -6.641 1.00 23.43 H new ATOM 0 HD2 ARG A 122 4.345 5.512 -4.782 1.00 72.20 H new ATOM 0 HD3 ARG A 122 3.052 4.380 -4.438 1.00 72.20 H new ATOM 0 HE ARG A 122 5.220 3.088 -5.864 1.00 11.34 H new ATOM 0 HH11 ARG A 122 4.203 4.131 -2.598 1.00 71.04 H new ATOM 0 HH12 ARG A 122 5.295 2.996 -1.797 1.00 71.04 H new ATOM 0 HH21 ARG A 122 6.634 1.701 -4.809 1.00 41.43 H new ATOM 0 HH22 ARG A 122 6.666 1.627 -3.044 1.00 41.43 H new ATOM 2055 N ILE A 123 3.571 2.822 -9.936 1.00 23.42 N ATOM 2056 CA ILE A 123 4.220 1.816 -10.767 1.00 74.43 C ATOM 2057 C ILE A 123 5.677 1.730 -10.287 1.00 3.34 C ATOM 2058 O ILE A 123 6.380 2.742 -10.276 1.00 11.31 O ATOM 2059 CB ILE A 123 4.210 2.185 -12.283 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.779 2.453 -12.819 1.00 33.41 C ATOM 2061 CG2 ILE A 123 4.877 1.080 -13.137 1.00 70.43 C ATOM 2062 CD1 ILE A 123 2.352 3.930 -12.765 1.00 23.05 C ATOM 0 H ILE A 123 4.114 3.682 -9.864 1.00 23.42 H new ATOM 0 HA ILE A 123 3.682 0.873 -10.671 1.00 74.43 H new ATOM 0 HB ILE A 123 4.785 3.107 -12.371 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.719 2.106 -13.851 1.00 33.41 H new ATOM 0 HG13 ILE A 123 2.070 1.860 -12.242 1.00 33.41 H new ATOM 0 HG21 ILE A 123 4.853 1.368 -14.188 1.00 70.43 H new ATOM 0 HG22 ILE A 123 5.912 0.950 -12.820 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.336 0.143 -13.006 1.00 70.43 H new ATOM 0 HD11 ILE A 123 1.340 4.031 -13.158 1.00 23.05 H new ATOM 0 HD12 ILE A 123 2.377 4.278 -11.733 1.00 23.05 H new ATOM 0 HD13 ILE A 123 3.036 4.529 -13.367 1.00 23.05 H new ATOM 2074 N SER A 124 6.088 0.518 -9.898 1.00 71.20 N ATOM 2075 CA SER A 124 7.434 0.190 -9.435 1.00 14.32 C ATOM 2076 C SER A 124 7.936 -1.050 -10.194 1.00 44.33 C ATOM 2077 O SER A 124 7.116 -1.863 -10.624 1.00 2.24 O ATOM 2078 CB SER A 124 7.388 -0.052 -7.910 1.00 41.23 C ATOM 2079 OG SER A 124 7.337 1.164 -7.190 1.00 61.04 O ATOM 0 H SER A 124 5.465 -0.290 -9.898 1.00 71.20 H new ATOM 0 HA SER A 124 8.127 1.008 -9.631 1.00 14.32 H new ATOM 0 HB2 SER A 124 6.516 -0.658 -7.664 1.00 41.23 H new ATOM 0 HB3 SER A 124 8.267 -0.619 -7.605 1.00 41.23 H new ATOM 0 HG SER A 124 7.771 1.047 -6.319 1.00 61.04 H new ATOM 2085 N LYS A 125 9.266 -1.175 -10.350 1.00 51.44 N ATOM 2086 CA LYS A 125 9.903 -2.276 -11.080 1.00 72.03 C ATOM 2087 C LYS A 125 11.075 -2.853 -10.275 1.00 64.24 C ATOM 2088 O LYS A 125 11.840 -2.100 -9.675 1.00 21.30 O ATOM 2089 CB LYS A 125 10.313 -1.807 -12.492 1.00 73.22 C ATOM 2090 CG LYS A 125 10.821 -2.922 -13.432 1.00 42.33 C ATOM 2091 CD LYS A 125 12.339 -2.940 -13.679 1.00 22.14 C ATOM 2092 CE LYS A 125 12.821 -1.776 -14.558 1.00 53.41 C ATOM 2093 NZ LYS A 125 14.212 -1.977 -15.001 1.00 45.34 N1+ ATOM 0 H LYS A 125 9.933 -0.505 -9.967 1.00 51.44 H new ATOM 0 HA LYS A 125 9.189 -3.090 -11.209 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.456 -1.322 -12.960 1.00 73.22 H new ATOM 0 HB3 LYS A 125 11.093 -1.052 -12.395 1.00 73.22 H new ATOM 0 HG2 LYS A 125 10.527 -3.886 -13.016 1.00 42.33 H new ATOM 0 HG3 LYS A 125 10.315 -2.822 -14.392 1.00 42.33 H new ATOM 0 HD2 LYS A 125 12.857 -2.903 -12.721 1.00 22.14 H new ATOM 0 HD3 LYS A 125 12.613 -3.883 -14.153 1.00 22.14 H new ATOM 0 HE2 LYS A 125 12.171 -1.681 -15.428 1.00 53.41 H new ATOM 0 HE3 LYS A 125 12.746 -0.842 -14.001 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 14.507 -1.174 -15.592 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 14.835 -2.043 -14.171 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 14.277 -2.856 -15.553 1.00 45.34 H new ATOM 2107 N ARG A 126 11.170 -4.193 -10.282 1.00 3.51 N ATOM 2108 CA ARG A 126 12.072 -5.011 -9.477 1.00 31.02 C ATOM 2109 C ARG A 126 13.545 -4.765 -9.814 1.00 63.35 C ATOM 2110 O ARG A 126 13.903 -4.688 -10.988 1.00 31.35 O ATOM 2111 CB ARG A 126 11.663 -6.495 -9.602 1.00 1.25 C ATOM 2112 CG ARG A 126 12.350 -7.430 -8.586 1.00 25.20 C ATOM 2113 CD ARG A 126 11.635 -8.782 -8.400 1.00 61.54 C ATOM 2114 NE ARG A 126 11.748 -9.661 -9.571 1.00 13.10 N ATOM 2115 CZ ARG A 126 12.799 -10.442 -9.869 1.00 1.14 C ATOM 2116 NH1 ARG A 126 13.891 -10.468 -9.092 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 12.749 -11.214 -10.961 1.00 75.52 N ATOM 0 H ARG A 126 10.580 -4.762 -10.889 1.00 3.51 H new ATOM 0 HA ARG A 126 11.975 -4.717 -8.432 1.00 31.02 H new ATOM 0 HB2 ARG A 126 10.583 -6.574 -9.478 1.00 1.25 H new ATOM 0 HB3 ARG A 126 11.894 -6.840 -10.610 1.00 1.25 H new ATOM 0 HG2 ARG A 126 13.374 -7.613 -8.910 1.00 25.20 H new ATOM 0 HG3 ARG A 126 12.407 -6.924 -7.622 1.00 25.20 H new ATOM 0 HD2 ARG A 126 12.052 -9.290 -7.531 1.00 61.54 H new ATOM 0 HD3 ARG A 126 10.581 -8.602 -8.189 1.00 61.54 H new ATOM 0 HE ARG A 126 10.958 -9.680 -10.216 1.00 13.10 H new ATOM 0 HH11 ARG A 126 13.935 -9.887 -8.255 1.00 52.44 H new ATOM 0 HH12 ARG A 126 14.678 -11.069 -9.338 1.00 52.44 H new ATOM 0 HH21 ARG A 126 11.920 -11.204 -11.555 1.00 75.52 H new ATOM 0 HH22 ARG A 126 13.540 -11.812 -11.199 1.00 75.52 H new ATOM 2131 N ILE A 127 14.365 -4.652 -8.756 1.00 3.34 N ATOM 2132 CA ILE A 127 15.799 -4.363 -8.821 1.00 44.01 C ATOM 2133 C ILE A 127 16.437 -5.738 -8.761 1.00 43.14 C ATOM 2134 O ILE A 127 17.209 -6.149 -9.625 1.00 12.22 O ATOM 2135 CB ILE A 127 16.278 -3.439 -7.655 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.343 -2.224 -7.417 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.728 -2.964 -7.902 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.785 -1.285 -6.285 1.00 14.32 C ATOM 0 H ILE A 127 14.031 -4.764 -7.799 1.00 3.34 H new ATOM 0 HA ILE A 127 16.072 -3.809 -9.719 1.00 44.01 H new ATOM 0 HB ILE A 127 16.243 -4.041 -6.747 1.00 74.44 H new ATOM 0 HG12 ILE A 127 15.274 -1.650 -8.341 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.341 -2.592 -7.195 1.00 63.15 H new ATOM 0 HG21 ILE A 127 18.045 -2.322 -7.081 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.389 -3.829 -7.963 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.774 -2.406 -8.837 1.00 51.55 H new ATOM 0 HD11 ILE A 127 15.072 -0.466 -6.192 1.00 14.32 H new ATOM 0 HD12 ILE A 127 15.825 -1.839 -5.347 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.772 -0.882 -6.511 1.00 14.32 H new