USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 680 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 84 GLN : amide:sc= 0.178 K(o=1.8,f=-4.5!) USER MOD Set 1.2: A 87 CYS SG : rot 65:sc= 1.6 USER MOD Set 2.1: A 69 LYS NZ :NH3+ -176:sc= -0.632! (180deg=-1.74!) USER MOD Set 2.2: A 76 THR OG1 : rot -94:sc= 1.86 USER MOD Set 3.1: A 19 SER OG : rot 4:sc= 0.454 USER MOD Set 3.2: A 85 ASN : amide:sc= -1.04 K(o=-0.59,f=-3.9!) USER MOD Set 4.1: A 7 MET CE :methyl 164:sc= -0.067 (180deg=-0.469) USER MOD Set 4.2: A 39 ASN : amide:sc= -0.874 K(o=-0.94,f=-3.7!) USER MOD Set 4.3: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.23) USER MOD Single : A 10 THR OG1 : rot 177:sc= 0.605 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -139:sc= -3.59! USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 24 HIS : no HE2:sc= 0.579 K(o=0.58,f=-3.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 62:sc= -0.625 USER MOD Single : A 36 GLN : amide:sc= -0.435 K(o=-0.44,f=-3.7!) USER MOD Single : A 37 GLN : amide:sc= -1.41! X(o=-1.4!,f=-1.1) USER MOD Single : A 45 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.049) USER MOD Single : A 49 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.37) USER MOD Single : A 55 THR OG1 : rot -79:sc= -1.69! USER MOD Single : A 62 GLN : amide:sc= -12.4! C(o=-12!,f=-14!) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc=-0.00512 (180deg=-0.158) USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= 2.29 (180deg=1.25) USER MOD Single : A 70 SER OG : rot 30:sc= 0.0205 USER MOD Single : A 79 SER OG : rot -16:sc= 1.21 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -124:sc= -1.04 (180deg=-4.41!) USER MOD Single : A 95 LYS NZ :NH3+ -171:sc= 0.146 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 95 N MET A 7 11.981 5.792 -2.253 1.00 0.32 N ATOM 96 CA MET A 7 12.271 4.689 -1.353 1.00 0.29 C ATOM 97 C MET A 7 12.913 5.180 -0.061 1.00 0.34 C ATOM 98 O MET A 7 13.777 4.516 0.493 1.00 0.70 O ATOM 99 CB MET A 7 13.143 3.632 -2.034 1.00 0.35 C ATOM 100 CG MET A 7 12.430 2.303 -2.197 1.00 0.30 C ATOM 101 SD MET A 7 13.387 1.096 -3.138 1.00 0.45 S ATOM 102 CE MET A 7 14.842 0.942 -2.104 1.00 1.60 C ATOM 0 HA MET A 7 11.322 4.221 -1.093 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.451 3.997 -3.014 1.00 0.35 H new ATOM 0 HB3 MET A 7 14.051 3.484 -1.449 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.208 1.893 -1.212 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.475 2.469 -2.696 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.394 0.044 -2.383 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.479 1.816 -2.240 1.00 1.60 H new ATOM 0 HE3 MET A 7 14.540 0.872 -1.059 1.00 1.60 H new ATOM 112 N VAL A 8 12.476 6.361 0.392 1.00 0.31 N ATOM 113 CA VAL A 8 12.882 6.914 1.688 1.00 0.30 C ATOM 114 C VAL A 8 11.900 7.987 2.164 1.00 0.31 C ATOM 115 O VAL A 8 12.216 9.175 2.151 1.00 0.46 O ATOM 116 CB VAL A 8 14.306 7.536 1.672 1.00 0.39 C ATOM 117 CG1 VAL A 8 15.378 6.490 1.935 1.00 1.50 C ATOM 118 CG2 VAL A 8 14.574 8.255 0.356 1.00 1.12 C ATOM 0 H VAL A 8 11.833 6.958 -0.128 1.00 0.31 H new ATOM 0 HA VAL A 8 12.885 6.065 2.372 1.00 0.30 H new ATOM 0 HB VAL A 8 14.348 8.267 2.479 1.00 0.39 H new ATOM 0 HG11 VAL A 8 16.360 6.963 1.916 1.00 1.50 H new ATOM 0 HG12 VAL A 8 15.212 6.037 2.912 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.331 5.720 1.165 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.577 8.681 0.372 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.493 7.547 -0.469 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.843 9.053 0.222 1.00 1.12 H new ATOM 128 N GLN A 9 10.703 7.577 2.575 1.00 0.23 N ATOM 129 CA GLN A 9 9.787 8.510 3.214 1.00 0.24 C ATOM 130 C GLN A 9 9.382 8.046 4.615 1.00 0.26 C ATOM 131 O GLN A 9 9.815 8.629 5.604 1.00 0.38 O ATOM 132 CB GLN A 9 8.565 8.753 2.338 1.00 0.26 C ATOM 133 CG GLN A 9 8.837 9.704 1.185 1.00 0.31 C ATOM 134 CD GLN A 9 9.163 11.110 1.655 1.00 1.15 C ATOM 135 OE1 GLN A 9 9.953 11.817 1.031 1.00 1.97 O ATOM 136 NE2 GLN A 9 8.542 11.535 2.745 1.00 1.86 N ATOM 0 H GLN A 9 10.352 6.624 2.479 1.00 0.23 H new ATOM 0 HA GLN A 9 10.315 9.456 3.333 1.00 0.24 H new ATOM 0 HB2 GLN A 9 8.215 7.800 1.940 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.760 9.157 2.952 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.667 9.321 0.591 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.965 9.736 0.531 1.00 0.31 H new ATOM 0 HE21 GLN A 9 7.894 10.919 3.235 1.00 1.86 H new ATOM 0 HE22 GLN A 9 8.712 12.478 3.094 1.00 1.86 H new ATOM 145 N THR A 10 8.579 6.993 4.708 1.00 0.21 N ATOM 146 CA THR A 10 8.085 6.533 6.004 1.00 0.21 C ATOM 147 C THR A 10 8.774 5.241 6.442 1.00 0.21 C ATOM 148 O THR A 10 8.488 4.160 5.927 1.00 0.21 O ATOM 149 CB THR A 10 6.560 6.317 5.959 1.00 0.23 C ATOM 150 OG1 THR A 10 5.934 7.446 5.322 1.00 0.26 O ATOM 151 CG2 THR A 10 5.991 6.148 7.358 1.00 0.28 C ATOM 0 H THR A 10 8.257 6.444 3.911 1.00 0.21 H new ATOM 0 HA THR A 10 8.317 7.309 6.733 1.00 0.21 H new ATOM 0 HB THR A 10 6.358 5.408 5.392 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.970 7.287 5.248 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.913 5.997 7.297 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.452 5.284 7.836 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.199 7.042 7.946 1.00 0.28 H new ATOM 159 N GLU A 11 9.710 5.373 7.372 1.00 0.25 N ATOM 160 CA GLU A 11 10.490 4.242 7.868 1.00 0.28 C ATOM 161 C GLU A 11 9.679 3.336 8.793 1.00 0.25 C ATOM 162 O GLU A 11 8.724 3.771 9.438 1.00 0.40 O ATOM 163 CB GLU A 11 11.714 4.764 8.614 1.00 0.45 C ATOM 164 CG GLU A 11 12.755 3.702 8.911 1.00 0.47 C ATOM 165 CD GLU A 11 13.952 4.264 9.640 1.00 0.70 C ATOM 166 OE1 GLU A 11 14.867 4.780 8.974 1.00 1.15 O ATOM 167 OE2 GLU A 11 13.988 4.177 10.886 1.00 1.50 O ATOM 0 H GLU A 11 9.951 6.265 7.805 1.00 0.25 H new ATOM 0 HA GLU A 11 10.789 3.645 7.007 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.176 5.556 8.024 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.390 5.213 9.553 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.304 2.912 9.511 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.082 3.245 7.977 1.00 0.47 H new ATOM 174 N GLU A 12 10.084 2.074 8.846 1.00 0.31 N ATOM 175 CA GLU A 12 9.509 1.101 9.757 1.00 0.31 C ATOM 176 C GLU A 12 10.565 0.027 10.038 1.00 0.33 C ATOM 177 O GLU A 12 11.658 0.082 9.471 1.00 0.50 O ATOM 178 CB GLU A 12 8.222 0.509 9.161 1.00 0.38 C ATOM 179 CG GLU A 12 7.430 -0.398 10.099 1.00 0.56 C ATOM 180 CD GLU A 12 7.073 0.274 11.412 1.00 0.89 C ATOM 181 OE1 GLU A 12 7.972 0.425 12.262 1.00 1.37 O ATOM 182 OE2 GLU A 12 5.895 0.649 11.596 1.00 1.56 O ATOM 0 H GLU A 12 10.824 1.698 8.254 1.00 0.31 H new ATOM 0 HA GLU A 12 9.228 1.572 10.699 1.00 0.31 H new ATOM 0 HB2 GLU A 12 7.577 1.328 8.843 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.482 -0.058 8.267 1.00 0.38 H new ATOM 0 HG2 GLU A 12 6.515 -0.717 9.600 1.00 0.56 H new ATOM 0 HG3 GLU A 12 8.012 -1.297 10.304 1.00 0.56 H new ATOM 189 N MET A 13 10.245 -0.933 10.897 1.00 0.38 N ATOM 190 CA MET A 13 11.225 -1.897 11.399 1.00 0.46 C ATOM 191 C MET A 13 11.982 -2.632 10.285 1.00 0.40 C ATOM 192 O MET A 13 13.197 -2.803 10.381 1.00 0.49 O ATOM 193 CB MET A 13 10.523 -2.903 12.308 1.00 0.61 C ATOM 194 CG MET A 13 9.749 -2.247 13.440 1.00 0.92 C ATOM 195 SD MET A 13 8.810 -3.425 14.429 1.00 1.76 S ATOM 196 CE MET A 13 8.036 -2.312 15.603 1.00 2.64 C ATOM 0 H MET A 13 9.304 -1.068 11.266 1.00 0.38 H new ATOM 0 HA MET A 13 11.973 -1.333 11.956 1.00 0.46 H new ATOM 0 HB2 MET A 13 9.840 -3.507 11.711 1.00 0.61 H new ATOM 0 HB3 MET A 13 11.264 -3.582 12.729 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.445 -1.712 14.086 1.00 0.92 H new ATOM 0 HG3 MET A 13 9.067 -1.506 13.024 1.00 0.92 H new ATOM 0 HE1 MET A 13 7.415 -2.884 16.292 1.00 2.64 H new ATOM 0 HE2 MET A 13 8.806 -1.781 16.163 1.00 2.64 H new ATOM 0 HE3 MET A 13 7.416 -1.593 15.068 1.00 2.64 H new ATOM 206 N GLU A 14 11.296 -3.042 9.222 1.00 0.30 N ATOM 207 CA GLU A 14 11.996 -3.650 8.087 1.00 0.28 C ATOM 208 C GLU A 14 12.009 -2.704 6.905 1.00 0.31 C ATOM 209 O GLU A 14 12.900 -2.755 6.071 1.00 0.61 O ATOM 210 CB GLU A 14 11.306 -4.953 7.659 1.00 0.33 C ATOM 211 CG GLU A 14 11.816 -5.547 6.343 1.00 0.45 C ATOM 212 CD GLU A 14 13.256 -6.025 6.400 1.00 0.86 C ATOM 213 OE1 GLU A 14 13.516 -7.053 7.052 1.00 1.33 O ATOM 214 OE2 GLU A 14 14.122 -5.400 5.754 1.00 1.19 O ATOM 0 H GLU A 14 10.284 -2.969 9.119 1.00 0.30 H new ATOM 0 HA GLU A 14 13.017 -3.862 8.404 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.435 -5.693 8.449 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.236 -4.768 7.567 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.177 -6.384 6.062 1.00 0.45 H new ATOM 0 HG3 GLU A 14 11.723 -4.797 5.557 1.00 0.45 H new ATOM 221 N THR A 15 11.060 -1.791 6.883 1.00 0.20 N ATOM 222 CA THR A 15 10.819 -0.993 5.701 1.00 0.18 C ATOM 223 C THR A 15 11.795 0.159 5.586 1.00 0.21 C ATOM 224 O THR A 15 12.156 0.796 6.576 1.00 0.30 O ATOM 225 CB THR A 15 9.380 -0.488 5.668 1.00 0.23 C ATOM 226 OG1 THR A 15 8.627 -1.112 6.717 1.00 1.04 O ATOM 227 CG2 THR A 15 8.747 -0.831 4.334 1.00 0.90 C ATOM 0 H THR A 15 10.444 -1.584 7.669 1.00 0.20 H new ATOM 0 HA THR A 15 10.977 -1.640 4.838 1.00 0.18 H new ATOM 0 HB THR A 15 9.379 0.593 5.806 1.00 0.23 H new ATOM 0 HG1 THR A 15 7.737 -1.351 6.383 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.719 -0.468 4.315 1.00 0.90 H new ATOM 0 HG22 THR A 15 9.313 -0.359 3.531 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.753 -1.912 4.196 1.00 0.90 H new ATOM 235 N PRO A 16 12.186 0.460 4.348 1.00 0.21 N ATOM 236 CA PRO A 16 13.280 1.361 4.045 1.00 0.24 C ATOM 237 C PRO A 16 12.792 2.774 3.845 1.00 0.21 C ATOM 238 O PRO A 16 13.168 3.443 2.888 1.00 0.22 O ATOM 239 CB PRO A 16 13.795 0.770 2.744 1.00 0.28 C ATOM 240 CG PRO A 16 12.568 0.284 2.042 1.00 0.26 C ATOM 241 CD PRO A 16 11.538 -0.016 3.114 1.00 0.19 C ATOM 0 HA PRO A 16 14.028 1.436 4.834 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.322 1.517 2.150 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.496 -0.044 2.928 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.195 1.038 1.349 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.786 -0.608 1.455 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.599 0.504 2.926 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.308 -1.080 3.165 1.00 0.19 H new ATOM 249 N ARG A 17 11.949 3.216 4.763 1.00 0.21 N ATOM 250 CA ARG A 17 11.236 4.463 4.596 1.00 0.21 C ATOM 251 C ARG A 17 10.393 4.403 3.329 1.00 0.19 C ATOM 252 O ARG A 17 10.663 5.082 2.353 1.00 0.28 O ATOM 253 CB ARG A 17 12.197 5.653 4.538 1.00 0.26 C ATOM 254 CG ARG A 17 12.419 6.347 5.866 1.00 0.39 C ATOM 255 CD ARG A 17 13.323 7.556 5.715 1.00 0.37 C ATOM 256 NE ARG A 17 13.462 8.290 6.970 1.00 1.13 N ATOM 257 CZ ARG A 17 13.303 9.606 7.089 1.00 1.48 C ATOM 258 NH1 ARG A 17 13.060 10.354 6.022 1.00 1.46 N ATOM 259 NH2 ARG A 17 13.407 10.181 8.279 1.00 2.42 N ATOM 0 H ARG A 17 11.744 2.725 5.633 1.00 0.21 H new ATOM 0 HA ARG A 17 10.586 4.605 5.460 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.159 5.309 4.157 1.00 0.26 H new ATOM 0 HB3 ARG A 17 11.812 6.380 3.823 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.460 6.658 6.281 1.00 0.39 H new ATOM 0 HG3 ARG A 17 12.861 5.647 6.575 1.00 0.39 H new ATOM 0 HD2 ARG A 17 14.306 7.234 5.372 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.919 8.218 4.949 1.00 0.37 H new ATOM 0 HE ARG A 17 13.696 7.760 7.809 1.00 1.13 H new ATOM 0 HH11 ARG A 17 12.994 9.922 5.101 1.00 1.46 H new ATOM 0 HH12 ARG A 17 12.939 11.362 6.122 1.00 1.46 H new ATOM 0 HH21 ARG A 17 13.609 9.615 9.103 1.00 2.42 H new ATOM 0 HH22 ARG A 17 13.285 11.190 8.370 1.00 2.42 H new ATOM 273 N LEU A 18 9.383 3.565 3.315 1.00 0.16 N ATOM 274 CA LEU A 18 8.544 3.471 2.136 1.00 0.14 C ATOM 275 C LEU A 18 7.109 3.897 2.401 1.00 0.13 C ATOM 276 O LEU A 18 6.417 3.333 3.233 1.00 0.15 O ATOM 277 CB LEU A 18 8.566 2.075 1.573 1.00 0.19 C ATOM 278 CG LEU A 18 9.489 1.879 0.377 1.00 0.23 C ATOM 279 CD1 LEU A 18 10.856 2.443 0.664 1.00 0.25 C ATOM 280 CD2 LEU A 18 9.573 0.409 0.004 1.00 0.27 C ATOM 0 H LEU A 18 9.123 2.950 4.086 1.00 0.16 H new ATOM 0 HA LEU A 18 8.962 4.164 1.406 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.867 1.386 2.362 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.552 1.801 1.280 1.00 0.19 H new ATOM 0 HG LEU A 18 9.073 2.420 -0.473 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.501 2.293 -0.202 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.773 3.509 0.874 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.285 1.935 1.528 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.237 0.288 -0.852 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.963 -0.159 0.849 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.579 0.041 -0.252 1.00 0.27 H new ATOM 292 N SER A 19 6.652 4.840 1.612 1.00 0.16 N ATOM 293 CA SER A 19 5.419 5.525 1.877 1.00 0.16 C ATOM 294 C SER A 19 4.511 5.473 0.658 1.00 0.14 C ATOM 295 O SER A 19 4.848 5.968 -0.412 1.00 0.18 O ATOM 296 CB SER A 19 5.760 6.952 2.248 1.00 0.23 C ATOM 297 OG SER A 19 6.062 7.735 1.103 1.00 0.67 O ATOM 0 H SER A 19 7.130 5.152 0.766 1.00 0.16 H new ATOM 0 HA SER A 19 4.880 5.048 2.696 1.00 0.16 H new ATOM 0 HB2 SER A 19 4.922 7.399 2.784 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.612 6.957 2.928 1.00 0.23 H new ATOM 0 HG SER A 19 5.927 7.198 0.294 1.00 0.67 H new ATOM 303 N VAL A 20 3.363 4.879 0.831 1.00 0.14 N ATOM 304 CA VAL A 20 2.445 4.659 -0.259 1.00 0.14 C ATOM 305 C VAL A 20 1.315 5.667 -0.212 1.00 0.13 C ATOM 306 O VAL A 20 0.957 6.187 0.851 1.00 0.14 O ATOM 307 CB VAL A 20 1.855 3.236 -0.208 1.00 0.19 C ATOM 308 CG1 VAL A 20 1.025 3.055 1.033 1.00 0.89 C ATOM 309 CG2 VAL A 20 1.022 2.934 -1.436 1.00 0.85 C ATOM 0 H VAL A 20 3.034 4.532 1.732 1.00 0.14 H new ATOM 0 HA VAL A 20 3.002 4.778 -1.188 1.00 0.14 H new ATOM 0 HB VAL A 20 2.690 2.536 -0.186 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.616 2.045 1.053 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.648 3.212 1.914 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.208 3.777 1.033 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.623 1.922 -1.365 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.199 3.645 -1.501 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.644 3.017 -2.327 1.00 0.85 H new ATOM 319 N ILE A 21 0.760 5.938 -1.372 1.00 0.16 N ATOM 320 CA ILE A 21 -0.355 6.839 -1.472 1.00 0.18 C ATOM 321 C ILE A 21 -1.628 6.018 -1.450 1.00 0.16 C ATOM 322 O ILE A 21 -1.907 5.273 -2.388 1.00 0.20 O ATOM 323 CB ILE A 21 -0.286 7.614 -2.798 1.00 0.28 C ATOM 324 CG1 ILE A 21 1.177 7.874 -3.164 1.00 0.23 C ATOM 325 CG2 ILE A 21 -1.054 8.922 -2.694 1.00 0.50 C ATOM 326 CD1 ILE A 21 1.374 8.314 -4.599 1.00 0.73 C ATOM 0 H ILE A 21 1.068 5.543 -2.261 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.334 7.547 -0.643 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.747 7.016 -3.584 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.578 8.639 -2.500 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.754 6.966 -2.989 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -0.993 9.456 -3.642 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.098 8.713 -2.461 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.622 9.536 -1.904 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.435 8.480 -4.786 1.00 0.73 H new ATOM 0 HD12 ILE A 21 1.003 7.540 -5.271 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.826 9.240 -4.774 1.00 0.73 H new ATOM 338 N VAL A 22 -2.393 6.155 -0.381 1.00 0.14 N ATOM 339 CA VAL A 22 -3.636 5.425 -0.250 1.00 0.13 C ATOM 340 C VAL A 22 -4.802 6.375 -0.313 1.00 0.13 C ATOM 341 O VAL A 22 -4.982 7.201 0.581 1.00 0.20 O ATOM 342 CB VAL A 22 -3.715 4.659 1.077 1.00 0.15 C ATOM 343 CG1 VAL A 22 -4.957 3.790 1.104 1.00 0.16 C ATOM 344 CG2 VAL A 22 -2.465 3.831 1.299 1.00 0.20 C ATOM 0 H VAL A 22 -2.173 6.765 0.407 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.673 4.711 -1.073 1.00 0.13 H new ATOM 0 HB VAL A 22 -3.781 5.380 1.892 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.003 3.251 2.050 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.842 4.417 1.000 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -4.920 3.076 0.281 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.545 3.298 2.246 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.355 3.113 0.486 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.594 4.486 1.324 1.00 0.20 H new ATOM 354 N THR A 23 -5.612 6.251 -1.337 1.00 0.15 N ATOM 355 CA THR A 23 -6.715 7.164 -1.500 1.00 0.18 C ATOM 356 C THR A 23 -8.020 6.443 -1.822 1.00 0.15 C ATOM 357 O THR A 23 -8.031 5.320 -2.327 1.00 0.16 O ATOM 358 CB THR A 23 -6.402 8.242 -2.564 1.00 0.33 C ATOM 359 OG1 THR A 23 -7.545 9.071 -2.788 1.00 1.21 O ATOM 360 CG2 THR A 23 -5.950 7.623 -3.876 1.00 0.87 C ATOM 0 H THR A 23 -5.530 5.537 -2.060 1.00 0.15 H new ATOM 0 HA THR A 23 -6.852 7.663 -0.541 1.00 0.18 H new ATOM 0 HB THR A 23 -5.584 8.851 -2.178 1.00 0.33 H new ATOM 0 HG1 THR A 23 -7.330 9.749 -3.462 1.00 1.21 H new ATOM 0 HG21 THR A 23 -5.740 8.413 -4.597 1.00 0.87 H new ATOM 0 HG22 THR A 23 -5.048 7.034 -3.709 1.00 0.87 H new ATOM 0 HG23 THR A 23 -6.738 6.977 -4.264 1.00 0.87 H new ATOM 368 N HIS A 24 -9.106 7.085 -1.437 1.00 0.20 N ATOM 369 CA HIS A 24 -10.451 6.664 -1.778 1.00 0.24 C ATOM 370 C HIS A 24 -11.209 7.910 -2.207 1.00 0.34 C ATOM 371 O HIS A 24 -11.511 8.757 -1.368 1.00 0.38 O ATOM 372 CB HIS A 24 -11.111 6.015 -0.549 1.00 0.31 C ATOM 373 CG HIS A 24 -12.607 5.924 -0.613 1.00 0.47 C ATOM 374 ND1 HIS A 24 -13.427 6.468 0.349 1.00 1.20 N ATOM 375 CD2 HIS A 24 -13.428 5.358 -1.526 1.00 1.13 C ATOM 376 CE1 HIS A 24 -14.687 6.239 0.031 1.00 1.08 C ATOM 377 NE2 HIS A 24 -14.718 5.568 -1.107 1.00 0.96 N ATOM 0 H HIS A 24 -9.077 7.931 -0.867 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.451 5.928 -2.582 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.705 5.011 -0.424 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.833 6.584 0.338 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -13.110 6.970 1.179 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -13.124 4.836 -2.421 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.548 6.548 0.605 1.00 1.08 H new ATOM 386 N SER A 25 -11.503 8.019 -3.504 1.00 0.41 N ATOM 387 CA SER A 25 -12.108 9.231 -4.086 1.00 0.55 C ATOM 388 C SER A 25 -11.123 10.419 -4.049 1.00 0.60 C ATOM 389 O SER A 25 -10.919 11.103 -5.052 1.00 0.99 O ATOM 390 CB SER A 25 -13.415 9.590 -3.361 1.00 0.63 C ATOM 391 OG SER A 25 -14.046 10.715 -3.948 1.00 1.17 O ATOM 0 H SER A 25 -11.332 7.277 -4.182 1.00 0.41 H new ATOM 0 HA SER A 25 -12.340 9.019 -5.130 1.00 0.55 H new ATOM 0 HB2 SER A 25 -14.093 8.737 -3.388 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.205 9.797 -2.312 1.00 0.63 H new ATOM 0 HG SER A 25 -14.874 10.915 -3.464 1.00 1.17 H new ATOM 397 N ASN A 26 -10.505 10.623 -2.893 1.00 0.44 N ATOM 398 CA ASN A 26 -9.579 11.728 -2.643 1.00 0.50 C ATOM 399 C ASN A 26 -8.988 11.546 -1.252 1.00 0.43 C ATOM 400 O ASN A 26 -7.866 11.967 -0.969 1.00 0.47 O ATOM 401 CB ASN A 26 -10.288 13.085 -2.715 1.00 0.65 C ATOM 402 CG ASN A 26 -9.333 14.249 -2.510 1.00 1.42 C ATOM 403 OD1 ASN A 26 -8.185 14.218 -2.957 1.00 2.19 O ATOM 404 ND2 ASN A 26 -9.789 15.273 -1.808 1.00 2.02 N ATOM 0 H ASN A 26 -10.634 10.015 -2.084 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.802 11.716 -3.408 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.776 13.186 -3.684 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -11.071 13.123 -1.958 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -9.184 16.073 -1.621 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -10.746 15.263 -1.454 1.00 2.02 H new ATOM 411 N GLU A 27 -9.786 10.906 -0.399 1.00 0.41 N ATOM 412 CA GLU A 27 -9.406 10.557 0.964 1.00 0.42 C ATOM 413 C GLU A 27 -8.073 9.811 0.985 1.00 0.37 C ATOM 414 O GLU A 27 -8.007 8.605 0.726 1.00 0.49 O ATOM 415 CB GLU A 27 -10.529 9.708 1.556 1.00 0.50 C ATOM 416 CG GLU A 27 -10.241 9.087 2.907 1.00 0.58 C ATOM 417 CD GLU A 27 -11.416 8.266 3.389 1.00 1.21 C ATOM 418 OE1 GLU A 27 -12.079 7.616 2.544 1.00 1.58 O ATOM 419 OE2 GLU A 27 -11.699 8.282 4.601 1.00 1.75 O ATOM 0 H GLU A 27 -10.732 10.611 -0.643 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.268 11.458 1.562 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.421 10.329 1.645 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.765 8.910 0.853 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -9.355 8.455 2.839 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.019 9.871 3.631 1.00 0.58 H new ATOM 426 N ARG A 28 -7.024 10.536 1.322 1.00 0.33 N ATOM 427 CA ARG A 28 -5.665 10.042 1.186 1.00 0.33 C ATOM 428 C ARG A 28 -4.982 9.968 2.541 1.00 0.30 C ATOM 429 O ARG A 28 -4.955 10.932 3.299 1.00 0.36 O ATOM 430 CB ARG A 28 -4.860 10.948 0.242 1.00 0.48 C ATOM 431 CG ARG A 28 -3.733 10.238 -0.509 1.00 0.72 C ATOM 432 CD ARG A 28 -2.585 9.806 0.400 1.00 0.76 C ATOM 433 NE ARG A 28 -1.793 10.937 0.878 1.00 1.75 N ATOM 434 CZ ARG A 28 -0.487 10.872 1.159 1.00 2.38 C ATOM 435 NH1 ARG A 28 0.167 9.713 1.082 1.00 2.45 N ATOM 436 NH2 ARG A 28 0.160 11.965 1.534 1.00 3.31 N ATOM 0 H ARG A 28 -7.088 11.482 1.697 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.708 9.038 0.763 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.541 11.391 -0.485 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.434 11.768 0.821 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -4.138 9.361 -1.014 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.346 10.901 -1.282 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.988 9.262 1.254 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.937 9.116 -0.141 1.00 0.76 H new ATOM 0 HE ARG A 28 -2.266 11.832 1.005 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -0.329 8.865 0.807 1.00 2.45 H new ATOM 0 HH12 ARG A 28 1.163 9.674 1.298 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -0.338 12.852 1.608 1.00 3.31 H new ATOM 0 HH22 ARG A 28 1.156 11.920 1.749 1.00 3.31 H new ATOM 450 N TYR A 29 -4.449 8.802 2.832 1.00 0.28 N ATOM 451 CA TYR A 29 -3.639 8.588 4.014 1.00 0.27 C ATOM 452 C TYR A 29 -2.294 8.039 3.589 1.00 0.25 C ATOM 453 O TYR A 29 -2.227 7.183 2.704 1.00 0.27 O ATOM 454 CB TYR A 29 -4.323 7.623 4.985 1.00 0.34 C ATOM 455 CG TYR A 29 -5.510 8.218 5.709 1.00 0.93 C ATOM 456 CD1 TYR A 29 -6.753 8.291 5.091 1.00 1.65 C ATOM 457 CD2 TYR A 29 -5.390 8.706 7.002 1.00 1.30 C ATOM 458 CE1 TYR A 29 -7.840 8.839 5.742 1.00 2.31 C ATOM 459 CE2 TYR A 29 -6.473 9.255 7.660 1.00 1.95 C ATOM 460 CZ TYR A 29 -7.686 9.306 7.051 1.00 2.36 C ATOM 461 OH TYR A 29 -8.776 9.864 7.677 1.00 3.09 O ATOM 0 H TYR A 29 -4.565 7.970 2.253 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.507 9.537 4.533 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.651 6.741 4.434 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.593 7.286 5.721 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -6.870 7.913 4.086 1.00 1.65 H new ATOM 0 HD2 TYR A 29 -4.434 8.656 7.502 1.00 1.30 H new ATOM 0 HE1 TYR A 29 -8.797 8.906 5.247 1.00 2.31 H new ATOM 0 HE2 TYR A 29 -6.355 9.644 8.660 1.00 1.95 H new ATOM 0 HH TYR A 29 -8.525 10.144 8.582 1.00 3.09 H new ATOM 471 N ASP A 30 -1.229 8.555 4.173 1.00 0.27 N ATOM 472 CA ASP A 30 0.101 8.062 3.863 1.00 0.30 C ATOM 473 C ASP A 30 0.326 6.767 4.621 1.00 0.25 C ATOM 474 O ASP A 30 0.253 6.729 5.851 1.00 0.34 O ATOM 475 CB ASP A 30 1.164 9.093 4.244 1.00 0.50 C ATOM 476 CG ASP A 30 2.549 8.695 3.773 1.00 1.27 C ATOM 477 OD1 ASP A 30 2.873 8.938 2.589 1.00 1.99 O ATOM 478 OD2 ASP A 30 3.314 8.128 4.593 1.00 2.01 O ATOM 0 H ASP A 30 -1.257 9.309 4.859 1.00 0.27 H new ATOM 0 HA ASP A 30 0.182 7.883 2.791 1.00 0.30 H new ATOM 0 HB2 ASP A 30 0.900 10.059 3.813 1.00 0.50 H new ATOM 0 HB3 ASP A 30 1.173 9.218 5.327 1.00 0.50 H new ATOM 483 N LEU A 31 0.576 5.713 3.880 1.00 0.18 N ATOM 484 CA LEU A 31 0.687 4.381 4.443 1.00 0.15 C ATOM 485 C LEU A 31 2.088 3.855 4.179 1.00 0.14 C ATOM 486 O LEU A 31 2.754 4.314 3.263 1.00 0.18 O ATOM 487 CB LEU A 31 -0.379 3.467 3.825 1.00 0.15 C ATOM 488 CG LEU A 31 -1.175 2.603 4.798 1.00 0.14 C ATOM 489 CD1 LEU A 31 -0.307 1.494 5.364 1.00 0.17 C ATOM 490 CD2 LEU A 31 -1.728 3.462 5.919 1.00 0.16 C ATOM 0 H LEU A 31 0.709 5.751 2.869 1.00 0.18 H new ATOM 0 HA LEU A 31 0.519 4.407 5.520 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.080 4.088 3.267 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.109 2.810 3.105 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.004 2.146 4.259 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -0.894 0.890 6.056 1.00 0.17 H new ATOM 0 HD12 LEU A 31 0.056 0.865 4.551 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.541 1.930 5.893 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.295 2.838 6.610 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -0.905 3.938 6.452 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.382 4.228 5.502 1.00 0.16 H new ATOM 502 N LEU A 32 2.562 2.944 4.995 1.00 0.15 N ATOM 503 CA LEU A 32 3.915 2.454 4.839 1.00 0.16 C ATOM 504 C LEU A 32 3.879 0.990 4.427 1.00 0.14 C ATOM 505 O LEU A 32 3.081 0.203 4.939 1.00 0.14 O ATOM 506 CB LEU A 32 4.723 2.761 6.133 1.00 0.19 C ATOM 507 CG LEU A 32 5.928 1.859 6.520 1.00 0.22 C ATOM 508 CD1 LEU A 32 5.456 0.562 7.152 1.00 0.52 C ATOM 509 CD2 LEU A 32 6.833 1.577 5.347 1.00 0.73 C ATOM 0 H LEU A 32 2.039 2.529 5.767 1.00 0.15 H new ATOM 0 HA LEU A 32 4.443 2.967 4.035 1.00 0.16 H new ATOM 0 HB2 LEU A 32 5.094 3.783 6.051 1.00 0.19 H new ATOM 0 HB3 LEU A 32 4.021 2.743 6.967 1.00 0.19 H new ATOM 0 HG LEU A 32 6.513 2.413 7.254 1.00 0.22 H new ATOM 0 HD11 LEU A 32 6.319 -0.051 7.413 1.00 0.52 H new ATOM 0 HD12 LEU A 32 4.882 0.783 8.052 1.00 0.52 H new ATOM 0 HD13 LEU A 32 4.827 0.020 6.445 1.00 0.52 H new ATOM 0 HD21 LEU A 32 7.659 0.943 5.669 1.00 0.73 H new ATOM 0 HD22 LEU A 32 6.268 1.068 4.566 1.00 0.73 H new ATOM 0 HD23 LEU A 32 7.226 2.516 4.957 1.00 0.73 H new ATOM 521 N VAL A 33 4.764 0.658 3.494 1.00 0.14 N ATOM 522 CA VAL A 33 4.837 -0.661 2.882 1.00 0.14 C ATOM 523 C VAL A 33 5.188 -1.713 3.931 1.00 0.14 C ATOM 524 O VAL A 33 5.894 -1.430 4.897 1.00 0.15 O ATOM 525 CB VAL A 33 5.882 -0.658 1.725 1.00 0.17 C ATOM 526 CG1 VAL A 33 6.795 -1.874 1.767 1.00 0.98 C ATOM 527 CG2 VAL A 33 5.166 -0.588 0.389 1.00 1.15 C ATOM 0 H VAL A 33 5.462 1.310 3.136 1.00 0.14 H new ATOM 0 HA VAL A 33 3.862 -0.912 2.463 1.00 0.14 H new ATOM 0 HB VAL A 33 6.513 0.221 1.854 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.504 -1.825 0.941 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.338 -1.888 2.712 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.197 -2.781 1.678 1.00 0.98 H new ATOM 0 HG21 VAL A 33 5.900 -0.586 -0.417 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.511 -1.453 0.282 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.572 0.325 0.342 1.00 1.15 H new ATOM 537 N THR A 34 4.704 -2.933 3.737 1.00 0.14 N ATOM 538 CA THR A 34 4.622 -3.882 4.824 1.00 0.17 C ATOM 539 C THR A 34 5.961 -4.565 5.065 1.00 0.17 C ATOM 540 O THR A 34 6.527 -5.219 4.184 1.00 0.18 O ATOM 541 CB THR A 34 3.546 -4.944 4.536 1.00 0.19 C ATOM 542 OG1 THR A 34 2.340 -4.301 4.104 1.00 0.21 O ATOM 543 CG2 THR A 34 3.256 -5.779 5.777 1.00 0.23 C ATOM 0 H THR A 34 4.366 -3.281 2.840 1.00 0.14 H new ATOM 0 HA THR A 34 4.349 -3.328 5.722 1.00 0.17 H new ATOM 0 HB THR A 34 3.918 -5.605 3.753 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.509 -3.815 3.270 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.492 -6.522 5.546 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.168 -6.284 6.097 1.00 0.23 H new ATOM 0 HG23 THR A 34 2.900 -5.130 6.577 1.00 0.23 H new ATOM 551 N PRO A 35 6.477 -4.381 6.287 1.00 0.18 N ATOM 552 CA PRO A 35 7.771 -4.896 6.721 1.00 0.20 C ATOM 553 C PRO A 35 7.799 -6.419 6.822 1.00 0.23 C ATOM 554 O PRO A 35 6.752 -7.073 6.786 1.00 0.35 O ATOM 555 CB PRO A 35 7.977 -4.254 8.092 1.00 0.27 C ATOM 556 CG PRO A 35 6.603 -4.001 8.592 1.00 0.32 C ATOM 557 CD PRO A 35 5.797 -3.647 7.377 1.00 0.22 C ATOM 0 HA PRO A 35 8.558 -4.655 6.007 1.00 0.20 H new ATOM 0 HB2 PRO A 35 8.528 -4.915 8.761 1.00 0.27 H new ATOM 0 HB3 PRO A 35 8.549 -3.329 8.016 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.197 -4.882 9.090 1.00 0.32 H new ATOM 0 HG3 PRO A 35 6.593 -3.190 9.320 1.00 0.32 H new ATOM 0 HD2 PRO A 35 4.757 -3.956 7.481 1.00 0.22 H new ATOM 0 HD3 PRO A 35 5.794 -2.572 7.196 1.00 0.22 H new ATOM 565 N GLN A 36 9.019 -6.956 6.898 1.00 0.26 N ATOM 566 CA GLN A 36 9.285 -8.399 6.966 1.00 0.29 C ATOM 567 C GLN A 36 9.266 -9.025 5.571 1.00 0.30 C ATOM 568 O GLN A 36 8.802 -10.149 5.381 1.00 0.73 O ATOM 569 CB GLN A 36 8.320 -9.142 7.910 1.00 0.42 C ATOM 570 CG GLN A 36 8.137 -8.489 9.279 1.00 0.59 C ATOM 571 CD GLN A 36 9.440 -8.047 9.919 1.00 0.98 C ATOM 572 OE1 GLN A 36 9.876 -6.910 9.741 1.00 1.69 O ATOM 573 NE2 GLN A 36 10.066 -8.935 10.668 1.00 1.72 N ATOM 0 H GLN A 36 9.868 -6.391 6.914 1.00 0.26 H new ATOM 0 HA GLN A 36 10.284 -8.510 7.388 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.346 -9.218 7.426 1.00 0.42 H new ATOM 0 HB3 GLN A 36 8.685 -10.159 8.054 1.00 0.42 H new ATOM 0 HG2 GLN A 36 7.481 -7.625 9.175 1.00 0.59 H new ATOM 0 HG3 GLN A 36 7.635 -9.192 9.944 1.00 0.59 H new ATOM 0 HE21 GLN A 36 9.671 -9.868 10.791 1.00 1.72 H new ATOM 0 HE22 GLN A 36 10.944 -8.689 11.124 1.00 1.72 H new ATOM 582 N GLN A 37 9.759 -8.272 4.594 1.00 0.33 N ATOM 583 CA GLN A 37 10.000 -8.806 3.257 1.00 0.26 C ATOM 584 C GLN A 37 11.472 -8.648 2.914 1.00 0.30 C ATOM 585 O GLN A 37 12.330 -9.391 3.386 1.00 0.74 O ATOM 586 CB GLN A 37 9.179 -8.078 2.183 1.00 0.23 C ATOM 587 CG GLN A 37 8.315 -8.998 1.330 1.00 0.26 C ATOM 588 CD GLN A 37 9.058 -10.240 0.874 1.00 0.44 C ATOM 589 OE1 GLN A 37 9.714 -10.235 -0.165 1.00 1.02 O ATOM 590 NE2 GLN A 37 8.948 -11.317 1.640 1.00 1.42 N ATOM 0 H GLN A 37 10.000 -7.287 4.703 1.00 0.33 H new ATOM 0 HA GLN A 37 9.701 -9.854 3.267 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.538 -7.342 2.668 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.859 -7.529 1.532 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.434 -9.295 1.900 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.960 -8.450 0.457 1.00 0.26 H new ATOM 0 HE21 GLN A 37 8.394 -11.280 2.495 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.418 -12.182 1.374 1.00 1.42 H new ATOM 599 N GLY A 38 11.743 -7.630 2.120 1.00 0.43 N ATOM 600 CA GLY A 38 13.088 -7.245 1.792 1.00 0.34 C ATOM 601 C GLY A 38 13.124 -5.753 1.716 1.00 0.38 C ATOM 602 O GLY A 38 13.978 -5.172 1.056 1.00 0.83 O ATOM 0 H GLY A 38 11.027 -7.048 1.686 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.785 -7.607 2.548 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.391 -7.684 0.842 1.00 0.34 H new ATOM 606 N ASN A 39 12.124 -5.170 2.399 1.00 0.27 N ATOM 607 CA ASN A 39 11.812 -3.730 2.441 1.00 0.22 C ATOM 608 C ASN A 39 11.571 -3.097 1.070 1.00 0.21 C ATOM 609 O ASN A 39 10.716 -2.231 0.939 1.00 0.27 O ATOM 610 CB ASN A 39 12.832 -2.914 3.248 1.00 0.29 C ATOM 611 CG ASN A 39 14.266 -3.000 2.756 1.00 0.40 C ATOM 612 OD1 ASN A 39 14.653 -2.336 1.793 1.00 1.06 O ATOM 613 ND2 ASN A 39 15.073 -3.798 3.440 1.00 1.11 N ATOM 0 H ASN A 39 11.478 -5.718 2.966 1.00 0.27 H new ATOM 0 HA ASN A 39 10.860 -3.688 2.970 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.524 -1.868 3.240 1.00 0.29 H new ATOM 0 HB3 ASN A 39 12.800 -3.247 4.285 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.055 -3.879 3.175 1.00 1.11 H new ATOM 0 HD22 ASN A 39 14.713 -4.331 4.231 1.00 1.11 H new ATOM 620 N SER A 40 12.285 -3.541 0.059 1.00 0.24 N ATOM 621 CA SER A 40 12.172 -2.966 -1.267 1.00 0.32 C ATOM 622 C SER A 40 10.965 -3.529 -2.002 1.00 0.32 C ATOM 623 O SER A 40 10.350 -2.848 -2.810 1.00 0.50 O ATOM 624 CB SER A 40 13.444 -3.248 -2.056 1.00 0.40 C ATOM 625 OG SER A 40 14.589 -2.779 -1.360 1.00 1.42 O ATOM 0 H SER A 40 12.956 -4.306 0.130 1.00 0.24 H new ATOM 0 HA SER A 40 12.037 -1.889 -1.169 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.536 -4.319 -2.234 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.385 -2.767 -3.032 1.00 0.40 H new ATOM 0 HG SER A 40 15.393 -2.973 -1.885 1.00 1.42 H new ATOM 631 N GLU A 41 10.612 -4.764 -1.687 1.00 0.24 N ATOM 632 CA GLU A 41 9.533 -5.437 -2.360 1.00 0.31 C ATOM 633 C GLU A 41 8.623 -6.031 -1.306 1.00 0.26 C ATOM 634 O GLU A 41 8.959 -7.005 -0.647 1.00 0.30 O ATOM 635 CB GLU A 41 10.060 -6.491 -3.341 1.00 0.45 C ATOM 636 CG GLU A 41 11.041 -7.483 -2.744 1.00 1.12 C ATOM 637 CD GLU A 41 11.719 -8.322 -3.804 1.00 1.32 C ATOM 638 OE1 GLU A 41 11.050 -9.182 -4.416 1.00 1.66 O ATOM 639 OE2 GLU A 41 12.924 -8.110 -4.050 1.00 1.83 O ATOM 0 H GLU A 41 11.067 -5.318 -0.962 1.00 0.24 H new ATOM 0 HA GLU A 41 8.965 -4.731 -2.965 1.00 0.31 H new ATOM 0 HB2 GLU A 41 9.213 -7.041 -3.751 1.00 0.45 H new ATOM 0 HB3 GLU A 41 10.543 -5.981 -4.175 1.00 0.45 H new ATOM 0 HG2 GLU A 41 11.796 -6.945 -2.171 1.00 1.12 H new ATOM 0 HG3 GLU A 41 10.516 -8.136 -2.047 1.00 1.12 H new ATOM 646 N PRO A 42 7.497 -5.365 -1.095 1.00 0.22 N ATOM 647 CA PRO A 42 6.543 -5.660 -0.018 1.00 0.21 C ATOM 648 C PRO A 42 5.902 -7.043 -0.123 1.00 0.20 C ATOM 649 O PRO A 42 5.974 -7.701 -1.155 1.00 0.20 O ATOM 650 CB PRO A 42 5.482 -4.570 -0.169 1.00 0.23 C ATOM 651 CG PRO A 42 6.127 -3.514 -0.994 1.00 0.26 C ATOM 652 CD PRO A 42 7.056 -4.230 -1.910 1.00 0.24 C ATOM 0 HA PRO A 42 7.042 -5.669 0.951 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.586 -4.957 -0.654 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.176 -4.180 0.802 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.384 -2.947 -1.555 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.665 -2.802 -0.368 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.555 -4.556 -2.822 1.00 0.24 H new ATOM 0 HD3 PRO A 42 7.892 -3.600 -2.213 1.00 0.24 H new ATOM 660 N VAL A 43 5.281 -7.476 0.968 1.00 0.21 N ATOM 661 CA VAL A 43 4.680 -8.804 1.040 1.00 0.22 C ATOM 662 C VAL A 43 3.361 -8.843 0.279 1.00 0.19 C ATOM 663 O VAL A 43 2.794 -7.793 -0.010 1.00 0.17 O ATOM 664 CB VAL A 43 4.414 -9.237 2.499 1.00 0.26 C ATOM 665 CG1 VAL A 43 5.703 -9.320 3.296 1.00 0.32 C ATOM 666 CG2 VAL A 43 3.433 -8.291 3.174 1.00 0.24 C ATOM 0 H VAL A 43 5.180 -6.924 1.820 1.00 0.21 H new ATOM 0 HA VAL A 43 5.394 -9.493 0.589 1.00 0.22 H new ATOM 0 HB VAL A 43 3.972 -10.233 2.470 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.480 -9.627 4.318 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.369 -10.049 2.835 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.187 -8.343 3.308 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.261 -8.616 4.200 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.844 -7.282 3.177 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.489 -8.296 2.629 1.00 0.24 H new ATOM 676 N VAL A 44 2.848 -10.041 -0.007 1.00 0.22 N ATOM 677 CA VAL A 44 1.604 -10.188 -0.771 1.00 0.22 C ATOM 678 C VAL A 44 0.478 -9.388 -0.125 1.00 0.20 C ATOM 679 O VAL A 44 -0.410 -8.879 -0.797 1.00 0.25 O ATOM 680 CB VAL A 44 1.178 -11.666 -0.896 1.00 0.27 C ATOM 681 CG1 VAL A 44 2.144 -12.427 -1.789 1.00 0.36 C ATOM 682 CG2 VAL A 44 1.087 -12.325 0.475 1.00 0.36 C ATOM 0 H VAL A 44 3.273 -10.924 0.278 1.00 0.22 H new ATOM 0 HA VAL A 44 1.797 -9.802 -1.772 1.00 0.22 H new ATOM 0 HB VAL A 44 0.189 -11.695 -1.353 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.827 -13.467 -1.865 1.00 0.36 H new ATOM 0 HG12 VAL A 44 2.153 -11.977 -2.782 1.00 0.36 H new ATOM 0 HG13 VAL A 44 3.146 -12.383 -1.362 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.785 -13.366 0.359 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.060 -12.282 0.965 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.351 -11.799 1.083 1.00 0.36 H new ATOM 692 N GLN A 45 0.566 -9.284 1.184 1.00 0.19 N ATOM 693 CA GLN A 45 -0.427 -8.621 2.018 1.00 0.19 C ATOM 694 C GLN A 45 -0.493 -7.119 1.746 1.00 0.16 C ATOM 695 O GLN A 45 -1.547 -6.507 1.854 1.00 0.19 O ATOM 696 CB GLN A 45 -0.098 -8.849 3.495 1.00 0.25 C ATOM 697 CG GLN A 45 0.069 -10.313 3.872 1.00 0.62 C ATOM 698 CD GLN A 45 0.533 -10.500 5.306 1.00 0.89 C ATOM 699 OE1 GLN A 45 0.224 -11.501 5.944 1.00 1.66 O ATOM 700 NE2 GLN A 45 1.284 -9.539 5.822 1.00 1.44 N ATOM 0 H GLN A 45 1.348 -9.666 1.716 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.398 -9.052 1.774 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.820 -8.314 3.739 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.891 -8.415 4.105 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -0.880 -10.831 3.731 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.789 -10.778 3.198 1.00 0.62 H new ATOM 0 HE21 GLN A 45 1.521 -8.720 5.261 1.00 1.44 H new ATOM 0 HE22 GLN A 45 1.625 -9.617 6.780 1.00 1.44 H new ATOM 709 N ASP A 46 0.654 -6.554 1.371 1.00 0.15 N ATOM 710 CA ASP A 46 0.906 -5.111 1.415 1.00 0.14 C ATOM 711 C ASP A 46 -0.091 -4.284 0.619 1.00 0.14 C ATOM 712 O ASP A 46 -0.554 -3.259 1.098 1.00 0.15 O ATOM 713 CB ASP A 46 2.309 -4.838 0.887 1.00 0.17 C ATOM 714 CG ASP A 46 2.554 -3.372 0.627 1.00 0.14 C ATOM 715 OD1 ASP A 46 2.992 -2.679 1.563 1.00 0.16 O ATOM 716 OD2 ASP A 46 2.321 -2.919 -0.522 1.00 0.17 O ATOM 0 H ASP A 46 1.447 -7.092 1.023 1.00 0.15 H new ATOM 0 HA ASP A 46 0.798 -4.808 2.457 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.042 -5.203 1.606 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.462 -5.398 -0.036 1.00 0.17 H new ATOM 721 N LEU A 47 -0.425 -4.711 -0.585 1.00 0.18 N ATOM 722 CA LEU A 47 -1.288 -3.926 -1.425 1.00 0.22 C ATOM 723 C LEU A 47 -2.650 -3.725 -0.746 1.00 0.19 C ATOM 724 O LEU A 47 -3.184 -2.611 -0.705 1.00 0.22 O ATOM 725 CB LEU A 47 -1.396 -4.603 -2.793 1.00 0.28 C ATOM 726 CG LEU A 47 -2.435 -5.720 -2.948 1.00 0.62 C ATOM 727 CD1 LEU A 47 -2.488 -6.169 -4.387 1.00 1.07 C ATOM 728 CD2 LEU A 47 -2.117 -6.913 -2.068 1.00 1.01 C ATOM 0 H LEU A 47 -0.111 -5.591 -0.994 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.873 -2.930 -1.579 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.616 -3.834 -3.533 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.418 -5.015 -3.043 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.400 -5.317 -2.640 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.227 -6.963 -4.493 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -2.766 -5.327 -5.021 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -1.509 -6.542 -4.688 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -2.877 -7.681 -2.208 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.141 -7.315 -2.339 1.00 1.01 H new ATOM 0 HD23 LEU A 47 -2.104 -6.602 -1.024 1.00 1.01 H new ATOM 740 N ALA A 48 -3.172 -4.799 -0.168 1.00 0.18 N ATOM 741 CA ALA A 48 -4.396 -4.739 0.610 1.00 0.17 C ATOM 742 C ALA A 48 -4.153 -3.977 1.896 1.00 0.14 C ATOM 743 O ALA A 48 -4.992 -3.202 2.344 1.00 0.16 O ATOM 744 CB ALA A 48 -4.891 -6.143 0.925 1.00 0.19 C ATOM 0 H ALA A 48 -2.759 -5.730 -0.226 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.157 -4.222 0.026 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.809 -6.083 1.509 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -5.087 -6.677 -0.005 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.132 -6.677 1.497 1.00 0.19 H new ATOM 750 N GLN A 49 -2.970 -4.191 2.450 1.00 0.13 N ATOM 751 CA GLN A 49 -2.603 -3.672 3.753 1.00 0.13 C ATOM 752 C GLN A 49 -2.626 -2.167 3.779 1.00 0.12 C ATOM 753 O GLN A 49 -3.196 -1.556 4.666 1.00 0.13 O ATOM 754 CB GLN A 49 -1.184 -4.120 4.099 1.00 0.15 C ATOM 755 CG GLN A 49 -0.633 -3.518 5.382 1.00 0.20 C ATOM 756 CD GLN A 49 -0.772 -4.450 6.568 1.00 0.33 C ATOM 757 OE1 GLN A 49 -0.944 -4.010 7.701 1.00 0.94 O ATOM 758 NE2 GLN A 49 -0.689 -5.747 6.317 1.00 1.35 N ATOM 0 H GLN A 49 -2.233 -4.735 2.002 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.328 -4.054 4.472 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.170 -5.206 4.186 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.521 -3.857 3.274 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.419 -3.270 5.240 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.155 -2.585 5.595 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -0.546 -6.073 5.361 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -0.768 -6.420 7.079 1.00 1.35 H new ATOM 767 N LEU A 50 -1.990 -1.589 2.792 1.00 0.12 N ATOM 768 CA LEU A 50 -1.841 -0.148 2.715 1.00 0.12 C ATOM 769 C LEU A 50 -3.204 0.535 2.652 1.00 0.12 C ATOM 770 O LEU A 50 -3.535 1.407 3.468 1.00 0.13 O ATOM 771 CB LEU A 50 -1.037 0.183 1.468 1.00 0.12 C ATOM 772 CG LEU A 50 0.355 -0.458 1.395 1.00 0.11 C ATOM 773 CD1 LEU A 50 0.993 -0.201 0.042 1.00 0.12 C ATOM 774 CD2 LEU A 50 1.237 0.068 2.507 1.00 0.13 C ATOM 0 H LEU A 50 -1.560 -2.097 2.019 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.327 0.213 3.605 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.609 -0.129 0.594 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -0.924 1.265 1.405 1.00 0.12 H new ATOM 0 HG LEU A 50 0.245 -1.535 1.521 1.00 0.11 H new ATOM 0 HD11 LEU A 50 1.979 -0.664 0.011 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.367 -0.627 -0.742 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.091 0.873 -0.116 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.221 -0.396 2.441 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.339 1.149 2.410 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.787 -0.169 3.471 1.00 0.13 H new ATOM 786 N VAL A 51 -4.009 0.082 1.712 1.00 0.11 N ATOM 787 CA VAL A 51 -5.351 0.601 1.521 1.00 0.10 C ATOM 788 C VAL A 51 -6.211 0.349 2.767 1.00 0.10 C ATOM 789 O VAL A 51 -7.032 1.188 3.144 1.00 0.10 O ATOM 790 CB VAL A 51 -5.935 -0.035 0.263 1.00 0.11 C ATOM 791 CG1 VAL A 51 -7.145 -0.891 0.549 1.00 0.21 C ATOM 792 CG2 VAL A 51 -6.237 1.039 -0.758 1.00 0.18 C ATOM 0 H VAL A 51 -3.752 -0.657 1.058 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.330 1.682 1.384 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.186 -0.713 -0.147 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.518 -1.317 -0.382 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -6.869 -1.695 1.231 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -7.924 -0.280 1.005 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.654 0.581 -1.655 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.957 1.744 -0.342 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.318 1.567 -1.013 1.00 0.18 H new ATOM 802 N GLU A 52 -5.968 -0.786 3.422 1.00 0.11 N ATOM 803 CA GLU A 52 -6.684 -1.158 4.638 1.00 0.12 C ATOM 804 C GLU A 52 -6.242 -0.311 5.838 1.00 0.13 C ATOM 805 O GLU A 52 -7.067 0.262 6.553 1.00 0.16 O ATOM 806 CB GLU A 52 -6.448 -2.647 4.935 1.00 0.17 C ATOM 807 CG GLU A 52 -6.723 -3.053 6.375 1.00 0.50 C ATOM 808 CD GLU A 52 -6.618 -4.549 6.598 1.00 0.53 C ATOM 809 OE1 GLU A 52 -5.486 -5.075 6.613 1.00 0.74 O ATOM 810 OE2 GLU A 52 -7.671 -5.199 6.779 1.00 0.74 O ATOM 0 H GLU A 52 -5.272 -1.470 3.125 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.746 -0.974 4.476 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -7.081 -3.241 4.276 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.415 -2.894 4.692 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.018 -2.543 7.032 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.721 -2.718 6.657 1.00 0.50 H new ATOM 817 N GLU A 53 -4.928 -0.215 6.017 1.00 0.13 N ATOM 818 CA GLU A 53 -4.321 0.410 7.191 1.00 0.15 C ATOM 819 C GLU A 53 -4.566 1.911 7.191 1.00 0.16 C ATOM 820 O GLU A 53 -4.504 2.558 8.237 1.00 0.19 O ATOM 821 CB GLU A 53 -2.820 0.093 7.223 1.00 0.19 C ATOM 822 CG GLU A 53 -2.077 0.609 8.450 1.00 0.24 C ATOM 823 CD GLU A 53 -2.645 0.096 9.763 1.00 0.84 C ATOM 824 OE1 GLU A 53 -2.249 -1.008 10.196 1.00 1.32 O ATOM 825 OE2 GLU A 53 -3.471 0.802 10.381 1.00 1.51 O ATOM 0 H GLU A 53 -4.247 -0.572 5.346 1.00 0.13 H new ATOM 0 HA GLU A 53 -4.783 0.004 8.091 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -2.691 -0.988 7.167 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.356 0.516 6.332 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -1.029 0.319 8.379 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -2.107 1.699 8.451 1.00 0.24 H new ATOM 832 N ALA A 54 -4.851 2.466 6.017 1.00 0.16 N ATOM 833 CA ALA A 54 -5.063 3.901 5.897 1.00 0.18 C ATOM 834 C ALA A 54 -6.155 4.397 6.845 1.00 0.21 C ATOM 835 O ALA A 54 -5.950 5.378 7.558 1.00 0.30 O ATOM 836 CB ALA A 54 -5.415 4.260 4.465 1.00 0.24 C ATOM 0 H ALA A 54 -4.940 1.948 5.143 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.133 4.395 6.177 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.571 5.336 4.388 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.600 3.963 3.805 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.327 3.739 4.173 1.00 0.24 H new ATOM 842 N THR A 55 -7.308 3.746 6.857 1.00 0.25 N ATOM 843 CA THR A 55 -8.355 4.122 7.803 1.00 0.33 C ATOM 844 C THR A 55 -8.639 3.025 8.831 1.00 0.29 C ATOM 845 O THR A 55 -9.216 3.291 9.886 1.00 0.39 O ATOM 846 CB THR A 55 -9.652 4.492 7.074 1.00 0.51 C ATOM 847 OG1 THR A 55 -9.878 3.571 6.010 1.00 1.14 O ATOM 848 CG2 THR A 55 -9.589 5.911 6.529 1.00 1.66 C ATOM 0 H THR A 55 -7.543 2.970 6.238 1.00 0.25 H new ATOM 0 HA THR A 55 -7.981 4.994 8.340 1.00 0.33 H new ATOM 0 HB THR A 55 -10.476 4.441 7.786 1.00 0.51 H new ATOM 0 HG1 THR A 55 -9.314 3.810 5.245 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.522 6.146 6.017 1.00 1.66 H new ATOM 0 HG22 THR A 55 -9.440 6.610 7.352 1.00 1.66 H new ATOM 0 HG23 THR A 55 -8.759 5.995 5.827 1.00 1.66 H new ATOM 856 N GLY A 56 -8.226 1.799 8.533 1.00 0.25 N ATOM 857 CA GLY A 56 -8.547 0.686 9.408 1.00 0.26 C ATOM 858 C GLY A 56 -9.690 -0.140 8.855 1.00 0.29 C ATOM 859 O GLY A 56 -10.368 -0.863 9.588 1.00 0.34 O ATOM 0 H GLY A 56 -7.678 1.556 7.707 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.667 0.055 9.534 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.813 1.063 10.396 1.00 0.26 H new ATOM 863 N VAL A 57 -9.906 -0.009 7.560 1.00 0.30 N ATOM 864 CA VAL A 57 -11.022 -0.645 6.875 1.00 0.36 C ATOM 865 C VAL A 57 -10.680 -2.078 6.462 1.00 0.29 C ATOM 866 O VAL A 57 -9.583 -2.351 5.992 1.00 0.26 O ATOM 867 CB VAL A 57 -11.432 0.197 5.644 1.00 0.50 C ATOM 868 CG1 VAL A 57 -10.212 0.796 4.972 1.00 1.62 C ATOM 869 CG2 VAL A 57 -12.236 -0.619 4.645 1.00 1.33 C ATOM 0 H VAL A 57 -9.309 0.545 6.946 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.864 -0.697 7.566 1.00 0.36 H new ATOM 0 HB VAL A 57 -12.069 1.005 6.003 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -10.524 1.384 4.109 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -9.686 1.439 5.678 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -9.547 -0.004 4.645 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -12.505 0.008 3.795 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -11.638 -1.462 4.299 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -13.143 -0.989 5.124 1.00 1.33 H new ATOM 879 N PRO A 58 -11.617 -3.017 6.677 1.00 0.32 N ATOM 880 CA PRO A 58 -11.447 -4.432 6.312 1.00 0.34 C ATOM 881 C PRO A 58 -11.397 -4.669 4.811 1.00 0.31 C ATOM 882 O PRO A 58 -11.963 -3.890 4.042 1.00 0.27 O ATOM 883 CB PRO A 58 -12.697 -5.101 6.872 1.00 0.39 C ATOM 884 CG PRO A 58 -13.699 -4.001 6.910 1.00 0.39 C ATOM 885 CD PRO A 58 -12.925 -2.782 7.312 1.00 0.37 C ATOM 0 HA PRO A 58 -10.504 -4.816 6.701 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.029 -5.923 6.238 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.519 -5.515 7.864 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.172 -3.865 5.937 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.494 -4.216 7.624 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.393 -1.866 6.952 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -12.841 -2.692 8.395 1.00 0.37 H new ATOM 893 N LEU A 59 -10.754 -5.758 4.401 1.00 0.35 N ATOM 894 CA LEU A 59 -10.572 -6.070 2.981 1.00 0.36 C ATOM 895 C LEU A 59 -11.867 -5.931 2.150 1.00 0.36 C ATOM 896 O LEU A 59 -11.834 -5.304 1.092 1.00 0.37 O ATOM 897 CB LEU A 59 -10.000 -7.485 2.798 1.00 0.45 C ATOM 898 CG LEU A 59 -8.594 -7.727 3.368 1.00 1.21 C ATOM 899 CD1 LEU A 59 -8.633 -7.914 4.878 1.00 1.79 C ATOM 900 CD2 LEU A 59 -7.955 -8.933 2.697 1.00 2.08 C ATOM 0 H LEU A 59 -10.346 -6.446 5.035 1.00 0.35 H new ATOM 0 HA LEU A 59 -9.865 -5.330 2.607 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -10.685 -8.194 3.263 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -9.981 -7.712 1.732 1.00 0.45 H new ATOM 0 HG LEU A 59 -7.989 -6.845 3.159 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -7.622 -8.083 5.250 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -9.047 -7.020 5.345 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -9.258 -8.773 5.122 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -6.959 -9.094 3.110 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -8.569 -9.816 2.875 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -7.879 -8.755 1.624 1.00 2.08 H new ATOM 912 N PRO A 60 -13.035 -6.460 2.607 1.00 0.38 N ATOM 913 CA PRO A 60 -14.259 -6.481 1.788 1.00 0.41 C ATOM 914 C PRO A 60 -14.844 -5.092 1.535 1.00 0.38 C ATOM 915 O PRO A 60 -15.629 -4.903 0.607 1.00 0.46 O ATOM 916 CB PRO A 60 -15.242 -7.330 2.602 1.00 0.47 C ATOM 917 CG PRO A 60 -14.410 -8.005 3.633 1.00 0.52 C ATOM 918 CD PRO A 60 -13.292 -7.056 3.928 1.00 0.42 C ATOM 0 HA PRO A 60 -14.051 -6.879 0.795 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.012 -6.710 3.061 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -15.753 -8.057 1.970 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -14.992 -8.217 4.530 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -14.029 -8.959 3.267 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.578 -6.305 4.665 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.415 -7.570 4.321 1.00 0.42 H new ATOM 926 N PHE A 61 -14.465 -4.124 2.358 1.00 0.33 N ATOM 927 CA PHE A 61 -15.011 -2.777 2.248 1.00 0.34 C ATOM 928 C PHE A 61 -14.206 -1.921 1.288 1.00 0.28 C ATOM 929 O PHE A 61 -14.687 -0.895 0.804 1.00 0.31 O ATOM 930 CB PHE A 61 -15.065 -2.108 3.614 1.00 0.37 C ATOM 931 CG PHE A 61 -16.381 -2.297 4.311 1.00 0.44 C ATOM 932 CD1 PHE A 61 -16.606 -3.414 5.098 1.00 0.45 C ATOM 933 CD2 PHE A 61 -17.389 -1.354 4.188 1.00 0.66 C ATOM 934 CE1 PHE A 61 -17.812 -3.589 5.750 1.00 0.56 C ATOM 935 CE2 PHE A 61 -18.597 -1.525 4.835 1.00 0.77 C ATOM 936 CZ PHE A 61 -18.823 -2.651 5.588 1.00 0.68 C ATOM 0 H PHE A 61 -13.784 -4.245 3.107 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.022 -2.870 1.852 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.268 -2.509 4.240 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.872 -1.042 3.497 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -15.830 -4.157 5.204 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -17.228 -0.476 3.580 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -17.967 -4.451 6.382 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -19.366 -0.771 4.749 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.785 -2.807 6.053 1.00 0.68 H new ATOM 946 N GLN A 62 -12.990 -2.337 0.998 1.00 0.22 N ATOM 947 CA GLN A 62 -12.159 -1.576 0.096 1.00 0.19 C ATOM 948 C GLN A 62 -11.831 -2.384 -1.146 1.00 0.19 C ATOM 949 O GLN A 62 -11.381 -3.524 -1.066 1.00 0.33 O ATOM 950 CB GLN A 62 -10.855 -1.126 0.760 1.00 0.19 C ATOM 951 CG GLN A 62 -9.959 -2.268 1.196 1.00 0.25 C ATOM 952 CD GLN A 62 -9.407 -2.082 2.583 1.00 0.40 C ATOM 953 OE1 GLN A 62 -9.176 -0.966 3.012 1.00 0.96 O ATOM 954 NE2 GLN A 62 -9.190 -3.175 3.287 1.00 0.29 N ATOM 0 H GLN A 62 -12.562 -3.186 1.369 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.729 -0.689 -0.182 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.305 -0.492 0.065 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.094 -0.513 1.629 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.522 -3.200 1.156 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.133 -2.364 0.491 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.399 -4.090 2.886 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -8.813 -3.106 4.232 1.00 0.29 H new ATOM 963 N LYS A 63 -12.077 -1.805 -2.297 1.00 0.19 N ATOM 964 CA LYS A 63 -11.577 -2.375 -3.525 1.00 0.18 C ATOM 965 C LYS A 63 -10.266 -1.694 -3.871 1.00 0.13 C ATOM 966 O LYS A 63 -10.253 -0.672 -4.559 1.00 0.14 O ATOM 967 CB LYS A 63 -12.589 -2.211 -4.666 1.00 0.26 C ATOM 968 CG LYS A 63 -12.143 -2.845 -5.978 1.00 1.14 C ATOM 969 CD LYS A 63 -11.978 -4.353 -5.846 1.00 1.68 C ATOM 970 CE LYS A 63 -13.293 -5.035 -5.504 1.00 2.52 C ATOM 971 NZ LYS A 63 -14.308 -4.861 -6.577 1.00 3.15 N ATOM 0 H LYS A 63 -12.616 -0.946 -2.409 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.417 -3.445 -3.389 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.538 -2.653 -4.364 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.770 -1.149 -4.829 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -12.875 -2.625 -6.756 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -11.199 -2.402 -6.294 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -11.589 -4.760 -6.780 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -11.242 -4.572 -5.072 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -13.118 -6.098 -5.340 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -13.680 -4.628 -4.570 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -15.117 -5.489 -6.395 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -14.633 -3.873 -6.591 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -13.885 -5.099 -7.497 1.00 3.15 H new ATOM 985 N LEU A 64 -9.164 -2.248 -3.380 1.00 0.12 N ATOM 986 CA LEU A 64 -7.868 -1.652 -3.606 1.00 0.10 C ATOM 987 C LEU A 64 -7.406 -1.991 -5.005 1.00 0.12 C ATOM 988 O LEU A 64 -7.232 -3.163 -5.362 1.00 0.14 O ATOM 989 CB LEU A 64 -6.858 -2.134 -2.538 1.00 0.11 C ATOM 990 CG LEU A 64 -5.358 -1.877 -2.803 1.00 0.13 C ATOM 991 CD1 LEU A 64 -4.730 -2.978 -3.641 1.00 0.48 C ATOM 992 CD2 LEU A 64 -5.142 -0.536 -3.472 1.00 0.51 C ATOM 0 H LEU A 64 -9.149 -3.105 -2.826 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.938 -0.568 -3.516 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.118 -1.659 -1.592 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -6.996 -3.207 -2.405 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.867 -1.871 -1.830 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.675 -2.756 -3.802 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.824 -3.931 -3.120 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.239 -3.039 -4.603 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.077 -0.383 -3.646 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.672 -0.515 -4.424 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.522 0.257 -2.828 1.00 0.51 H new ATOM 1004 N ILE A 65 -7.245 -0.930 -5.772 1.00 0.12 N ATOM 1005 CA ILE A 65 -6.707 -0.983 -7.106 1.00 0.14 C ATOM 1006 C ILE A 65 -5.530 -0.029 -7.191 1.00 0.15 C ATOM 1007 O ILE A 65 -5.701 1.192 -7.089 1.00 0.16 O ATOM 1008 CB ILE A 65 -7.763 -0.488 -8.097 1.00 0.16 C ATOM 1009 CG1 ILE A 65 -9.050 -1.311 -7.981 1.00 0.17 C ATOM 1010 CG2 ILE A 65 -7.225 -0.510 -9.522 1.00 0.20 C ATOM 1011 CD1 ILE A 65 -10.182 -0.790 -8.840 1.00 1.20 C ATOM 0 H ILE A 65 -7.493 0.013 -5.472 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.409 -2.006 -7.337 1.00 0.14 H new ATOM 0 HB ILE A 65 -8.003 0.545 -7.846 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.838 -2.343 -8.261 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.371 -1.323 -6.939 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.994 -0.154 -10.207 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.350 0.137 -9.591 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.945 -1.529 -9.789 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -11.060 -1.422 -8.707 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.422 0.232 -8.545 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.880 -0.804 -9.887 1.00 1.20 H new ATOM 1023 N PHE A 66 -4.342 -0.577 -7.275 1.00 0.17 N ATOM 1024 CA PHE A 66 -3.160 0.191 -7.582 1.00 0.18 C ATOM 1025 C PHE A 66 -2.000 -0.719 -7.901 1.00 0.20 C ATOM 1026 O PHE A 66 -2.007 -1.877 -7.487 1.00 0.20 O ATOM 1027 CB PHE A 66 -2.814 1.249 -6.561 1.00 0.19 C ATOM 1028 CG PHE A 66 -2.851 2.630 -7.174 1.00 0.23 C ATOM 1029 CD1 PHE A 66 -2.352 2.841 -8.451 1.00 0.45 C ATOM 1030 CD2 PHE A 66 -3.388 3.707 -6.490 1.00 0.25 C ATOM 1031 CE1 PHE A 66 -2.388 4.096 -9.029 1.00 0.51 C ATOM 1032 CE2 PHE A 66 -3.425 4.965 -7.062 1.00 0.28 C ATOM 1033 CZ PHE A 66 -2.925 5.159 -8.333 1.00 0.36 C ATOM 0 H PHE A 66 -4.167 -1.572 -7.132 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.396 0.766 -8.477 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.516 1.198 -5.728 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.822 1.055 -6.154 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.930 2.013 -9.001 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -3.784 3.562 -5.496 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -1.996 4.244 -10.024 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.845 5.795 -6.514 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.954 6.141 -8.782 1.00 0.36 H new ATOM 1043 N LYS A 67 -1.085 -0.242 -8.732 1.00 0.22 N ATOM 1044 CA LYS A 67 0.142 -0.968 -9.091 1.00 0.25 C ATOM 1045 C LYS A 67 -0.178 -2.224 -9.874 1.00 0.28 C ATOM 1046 O LYS A 67 0.546 -3.217 -9.801 1.00 0.32 O ATOM 1047 CB LYS A 67 1.064 -1.330 -7.876 1.00 0.25 C ATOM 1048 CG LYS A 67 0.459 -1.346 -6.451 1.00 0.18 C ATOM 1049 CD LYS A 67 1.464 -1.919 -5.442 1.00 0.21 C ATOM 1050 CE LYS A 67 0.896 -2.024 -4.030 1.00 0.18 C ATOM 1051 NZ LYS A 67 1.929 -1.767 -2.976 1.00 0.19 N ATOM 0 H LYS A 67 -1.167 0.668 -9.185 1.00 0.22 H new ATOM 0 HA LYS A 67 0.706 -0.270 -9.710 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.485 -2.317 -8.066 1.00 0.25 H new ATOM 0 HB3 LYS A 67 1.895 -0.625 -7.872 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.179 -0.334 -6.158 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.452 -1.944 -6.444 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.781 -2.907 -5.775 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.353 -1.288 -5.424 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.080 -1.310 -3.916 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.473 -3.018 -3.885 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.685 -2.295 -2.114 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.860 -2.077 -3.320 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 1.960 -0.750 -2.761 1.00 0.19 H new ATOM 1065 N GLY A 68 -1.256 -2.160 -10.647 1.00 0.31 N ATOM 1066 CA GLY A 68 -1.691 -3.303 -11.421 1.00 0.38 C ATOM 1067 C GLY A 68 -2.054 -4.460 -10.533 1.00 0.38 C ATOM 1068 O GLY A 68 -2.159 -5.601 -10.981 1.00 0.47 O ATOM 0 H GLY A 68 -1.839 -1.329 -10.750 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.551 -3.026 -12.030 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.899 -3.603 -12.107 1.00 0.38 H new ATOM 1072 N LYS A 69 -2.212 -4.156 -9.264 1.00 0.30 N ATOM 1073 CA LYS A 69 -2.531 -5.151 -8.271 1.00 0.33 C ATOM 1074 C LYS A 69 -3.840 -4.797 -7.586 1.00 0.24 C ATOM 1075 O LYS A 69 -4.174 -3.622 -7.420 1.00 0.23 O ATOM 1076 CB LYS A 69 -1.404 -5.238 -7.243 1.00 0.41 C ATOM 1077 CG LYS A 69 -0.046 -5.546 -7.847 1.00 0.62 C ATOM 1078 CD LYS A 69 1.060 -5.478 -6.805 1.00 0.58 C ATOM 1079 CE LYS A 69 1.453 -6.855 -6.290 1.00 0.44 C ATOM 1080 NZ LYS A 69 0.338 -7.553 -5.604 1.00 1.21 N ATOM 0 H LYS A 69 -2.122 -3.210 -8.893 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.640 -6.120 -8.758 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.345 -4.294 -6.702 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.650 -6.009 -6.513 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.064 -6.539 -8.295 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.165 -4.838 -8.649 1.00 0.62 H new ATOM 0 HD2 LYS A 69 1.934 -4.991 -7.237 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.732 -4.860 -5.969 1.00 0.58 H new ATOM 0 HE2 LYS A 69 1.798 -7.465 -7.125 1.00 0.44 H new ATOM 0 HE3 LYS A 69 2.291 -6.754 -5.601 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 0.680 -8.455 -5.215 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 -0.022 -6.957 -4.831 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 -0.427 -7.737 -6.284 1.00 1.21 H new ATOM 1094 N SER A 70 -4.587 -5.812 -7.220 1.00 0.23 N ATOM 1095 CA SER A 70 -5.846 -5.627 -6.522 1.00 0.21 C ATOM 1096 C SER A 70 -5.756 -6.315 -5.168 1.00 0.23 C ATOM 1097 O SER A 70 -5.113 -7.351 -5.053 1.00 0.31 O ATOM 1098 CB SER A 70 -7.000 -6.197 -7.360 1.00 0.24 C ATOM 1099 OG SER A 70 -8.262 -5.907 -6.779 1.00 1.27 O ATOM 0 H SER A 70 -4.344 -6.787 -7.395 1.00 0.23 H new ATOM 0 HA SER A 70 -6.042 -4.566 -6.370 1.00 0.21 H new ATOM 0 HB2 SER A 70 -6.959 -5.782 -8.367 1.00 0.24 H new ATOM 0 HB3 SER A 70 -6.882 -7.276 -7.455 1.00 0.24 H new ATOM 0 HG SER A 70 -8.207 -5.065 -6.280 1.00 1.27 H new ATOM 1105 N LEU A 71 -6.385 -5.751 -4.146 1.00 0.19 N ATOM 1106 CA LEU A 71 -6.156 -6.227 -2.772 1.00 0.21 C ATOM 1107 C LEU A 71 -6.689 -7.642 -2.537 1.00 0.26 C ATOM 1108 O LEU A 71 -7.710 -8.048 -3.097 1.00 0.32 O ATOM 1109 CB LEU A 71 -6.729 -5.237 -1.719 1.00 0.23 C ATOM 1110 CG LEU A 71 -8.258 -5.238 -1.458 1.00 0.31 C ATOM 1111 CD1 LEU A 71 -9.066 -5.329 -2.746 1.00 1.34 C ATOM 1112 CD2 LEU A 71 -8.657 -6.342 -0.486 1.00 1.21 C ATOM 0 H LEU A 71 -7.046 -4.979 -4.229 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.074 -6.271 -2.645 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.231 -5.437 -0.770 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.445 -4.229 -2.022 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.495 -4.279 -0.998 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -10.130 -5.326 -2.509 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.834 -4.475 -3.382 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.813 -6.251 -3.270 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -9.735 -6.314 -0.326 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -8.377 -7.310 -0.901 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.145 -6.193 0.465 1.00 1.21 H new ATOM 1178 N GLU A 75 -1.948 -11.984 -2.703 1.00 0.35 N ATOM 1179 CA GLU A 75 -2.260 -11.601 -4.067 1.00 0.33 C ATOM 1180 C GLU A 75 -1.014 -11.673 -4.958 1.00 0.30 C ATOM 1181 O GLU A 75 -0.151 -12.529 -4.755 1.00 0.49 O ATOM 1182 CB GLU A 75 -2.867 -10.196 -4.055 1.00 0.38 C ATOM 1183 CG GLU A 75 -4.137 -10.069 -4.885 1.00 0.92 C ATOM 1184 CD GLU A 75 -3.911 -10.265 -6.367 1.00 1.67 C ATOM 1185 OE1 GLU A 75 -3.218 -9.433 -6.987 1.00 2.49 O ATOM 1186 OE2 GLU A 75 -4.428 -11.256 -6.920 1.00 2.03 O ATOM 0 HA GLU A 75 -2.984 -12.298 -4.488 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -3.087 -9.914 -3.025 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.128 -9.488 -4.428 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.864 -10.802 -4.536 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -4.573 -9.084 -4.719 1.00 0.92 H new ATOM 1193 N THR A 76 -0.933 -10.782 -5.942 1.00 0.27 N ATOM 1194 CA THR A 76 0.128 -10.833 -6.950 1.00 0.26 C ATOM 1195 C THR A 76 1.534 -10.603 -6.369 1.00 0.17 C ATOM 1196 O THR A 76 1.682 -9.947 -5.337 1.00 0.18 O ATOM 1197 CB THR A 76 -0.150 -9.847 -8.099 1.00 0.40 C ATOM 1198 OG1 THR A 76 -0.873 -8.710 -7.606 1.00 0.49 O ATOM 1199 CG2 THR A 76 -0.945 -10.527 -9.202 1.00 0.69 C ATOM 0 H THR A 76 -1.591 -10.012 -6.065 1.00 0.27 H new ATOM 0 HA THR A 76 0.117 -11.849 -7.344 1.00 0.26 H new ATOM 0 HB THR A 76 0.803 -9.514 -8.510 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.835 -8.857 -7.725 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.133 -9.816 -10.006 1.00 0.69 H new ATOM 0 HG22 THR A 76 -0.378 -11.373 -9.591 1.00 0.69 H new ATOM 0 HG23 THR A 76 -1.895 -10.880 -8.801 1.00 0.69 H new ATOM 1207 N PRO A 77 2.563 -11.181 -7.039 1.00 0.19 N ATOM 1208 CA PRO A 77 3.976 -11.207 -6.602 1.00 0.18 C ATOM 1209 C PRO A 77 4.493 -9.989 -5.826 1.00 0.14 C ATOM 1210 O PRO A 77 4.145 -8.835 -6.088 1.00 0.16 O ATOM 1211 CB PRO A 77 4.713 -11.327 -7.920 1.00 0.30 C ATOM 1212 CG PRO A 77 3.838 -12.202 -8.743 1.00 0.36 C ATOM 1213 CD PRO A 77 2.418 -11.895 -8.327 1.00 0.28 C ATOM 0 HA PRO A 77 4.120 -12.010 -5.879 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.856 -10.353 -8.387 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.702 -11.765 -7.786 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.982 -12.007 -9.806 1.00 0.36 H new ATOM 0 HG3 PRO A 77 4.073 -13.253 -8.577 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.910 -11.279 -9.069 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.831 -12.806 -8.213 1.00 0.28 H new ATOM 1221 N LEU A 78 5.363 -10.314 -4.878 1.00 0.14 N ATOM 1222 CA LEU A 78 5.948 -9.372 -3.923 1.00 0.15 C ATOM 1223 C LEU A 78 6.904 -8.373 -4.570 1.00 0.16 C ATOM 1224 O LEU A 78 6.979 -7.222 -4.161 1.00 0.16 O ATOM 1225 CB LEU A 78 6.652 -10.148 -2.810 1.00 0.19 C ATOM 1226 CG LEU A 78 5.727 -11.038 -1.986 1.00 0.19 C ATOM 1227 CD1 LEU A 78 5.477 -12.366 -2.687 1.00 0.22 C ATOM 1228 CD2 LEU A 78 6.291 -11.274 -0.599 1.00 0.24 C ATOM 0 H LEU A 78 5.693 -11.270 -4.746 1.00 0.14 H new ATOM 0 HA LEU A 78 5.131 -8.781 -3.509 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.434 -10.766 -3.252 1.00 0.19 H new ATOM 0 HB3 LEU A 78 7.144 -9.439 -2.144 1.00 0.19 H new ATOM 0 HG LEU A 78 4.774 -10.518 -1.886 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.815 -12.980 -2.077 1.00 0.22 H new ATOM 0 HD12 LEU A 78 5.013 -12.184 -3.656 1.00 0.22 H new ATOM 0 HD13 LEU A 78 6.424 -12.886 -2.830 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.611 -11.911 -0.033 1.00 0.24 H new ATOM 0 HD22 LEU A 78 7.263 -11.761 -0.679 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.405 -10.319 -0.085 1.00 0.24 H new ATOM 1240 N SER A 79 7.660 -8.816 -5.555 1.00 0.18 N ATOM 1241 CA SER A 79 8.534 -7.909 -6.297 1.00 0.22 C ATOM 1242 C SER A 79 7.709 -6.795 -6.942 1.00 0.22 C ATOM 1243 O SER A 79 8.108 -5.631 -6.969 1.00 0.24 O ATOM 1244 CB SER A 79 9.319 -8.679 -7.356 1.00 0.27 C ATOM 1245 OG SER A 79 10.004 -9.779 -6.776 1.00 1.17 O ATOM 0 H SER A 79 7.692 -9.788 -5.863 1.00 0.18 H new ATOM 0 HA SER A 79 9.244 -7.458 -5.604 1.00 0.22 H new ATOM 0 HB2 SER A 79 8.640 -9.035 -8.131 1.00 0.27 H new ATOM 0 HB3 SER A 79 10.034 -8.014 -7.840 1.00 0.27 H new ATOM 0 HG SER A 79 10.038 -9.667 -5.803 1.00 1.17 H new ATOM 1251 N ALA A 80 6.538 -7.170 -7.432 1.00 0.20 N ATOM 1252 CA ALA A 80 5.597 -6.234 -8.035 1.00 0.22 C ATOM 1253 C ALA A 80 4.844 -5.435 -6.968 1.00 0.18 C ATOM 1254 O ALA A 80 4.028 -4.572 -7.291 1.00 0.19 O ATOM 1255 CB ALA A 80 4.619 -6.974 -8.939 1.00 0.27 C ATOM 0 H ALA A 80 6.210 -8.136 -7.424 1.00 0.20 H new ATOM 0 HA ALA A 80 6.167 -5.527 -8.638 1.00 0.22 H new ATOM 0 HB1 ALA A 80 3.923 -6.262 -9.382 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.169 -7.484 -9.730 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.065 -7.707 -8.353 1.00 0.27 H new ATOM 1261 N LEU A 81 5.126 -5.718 -5.697 1.00 0.14 N ATOM 1262 CA LEU A 81 4.317 -5.225 -4.586 1.00 0.13 C ATOM 1263 C LEU A 81 4.512 -3.723 -4.307 1.00 0.12 C ATOM 1264 O LEU A 81 4.132 -3.249 -3.243 1.00 0.11 O ATOM 1265 CB LEU A 81 4.602 -6.030 -3.315 1.00 0.13 C ATOM 1266 CG LEU A 81 3.369 -6.578 -2.583 1.00 0.15 C ATOM 1267 CD1 LEU A 81 2.256 -5.545 -2.515 1.00 0.16 C ATOM 1268 CD2 LEU A 81 2.873 -7.848 -3.249 1.00 0.19 C ATOM 0 H LEU A 81 5.918 -6.293 -5.410 1.00 0.14 H new ATOM 0 HA LEU A 81 3.278 -5.359 -4.886 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.249 -6.868 -3.575 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.161 -5.398 -2.624 1.00 0.13 H new ATOM 0 HG LEU A 81 3.669 -6.812 -1.562 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.399 -5.967 -1.990 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.610 -4.663 -1.981 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.960 -5.263 -3.525 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.999 -8.221 -2.716 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.603 -7.635 -4.283 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.660 -8.602 -3.227 1.00 0.19 H new ATOM 1280 N GLY A 82 5.051 -2.950 -5.248 1.00 0.12 N ATOM 1281 CA GLY A 82 5.269 -1.542 -4.946 1.00 0.12 C ATOM 1282 C GLY A 82 6.702 -1.179 -4.633 1.00 0.11 C ATOM 1283 O GLY A 82 6.924 -0.376 -3.730 1.00 0.12 O ATOM 0 H GLY A 82 5.332 -3.256 -6.180 1.00 0.12 H new ATOM 0 HA2 GLY A 82 4.934 -0.946 -5.795 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.644 -1.265 -4.097 1.00 0.12 H new ATOM 1287 N MET A 83 7.686 -1.776 -5.329 1.00 0.13 N ATOM 1288 CA MET A 83 9.081 -1.413 -5.058 1.00 0.15 C ATOM 1289 C MET A 83 9.372 0.029 -5.503 1.00 0.15 C ATOM 1290 O MET A 83 9.852 0.312 -6.600 1.00 0.19 O ATOM 1291 CB MET A 83 10.035 -2.399 -5.755 1.00 0.20 C ATOM 1292 CG MET A 83 9.778 -2.574 -7.244 1.00 0.49 C ATOM 1293 SD MET A 83 10.910 -3.748 -8.016 1.00 0.97 S ATOM 1294 CE MET A 83 10.288 -3.748 -9.695 1.00 1.79 C ATOM 0 H MET A 83 7.548 -2.482 -6.052 1.00 0.13 H new ATOM 0 HA MET A 83 9.246 -1.471 -3.982 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.060 -2.056 -5.613 1.00 0.20 H new ATOM 0 HB3 MET A 83 9.954 -3.371 -5.268 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.753 -2.913 -7.394 1.00 0.49 H new ATOM 0 HG3 MET A 83 9.870 -1.608 -7.740 1.00 0.49 H new ATOM 0 HE1 MET A 83 10.884 -4.428 -10.304 1.00 1.79 H new ATOM 0 HE2 MET A 83 9.248 -4.075 -9.698 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.353 -2.741 -10.107 1.00 1.79 H new ATOM 1304 N GLN A 84 9.031 0.911 -4.591 1.00 0.14 N ATOM 1305 CA GLN A 84 9.358 2.323 -4.555 1.00 0.15 C ATOM 1306 C GLN A 84 8.989 2.710 -3.150 1.00 0.16 C ATOM 1307 O GLN A 84 8.508 1.829 -2.445 1.00 0.16 O ATOM 1308 CB GLN A 84 8.600 3.145 -5.602 1.00 0.16 C ATOM 1309 CG GLN A 84 7.184 2.668 -5.870 1.00 0.61 C ATOM 1310 CD GLN A 84 6.551 3.365 -7.059 1.00 1.08 C ATOM 1311 OE1 GLN A 84 5.696 2.804 -7.742 1.00 1.79 O ATOM 1312 NE2 GLN A 84 6.964 4.595 -7.315 1.00 1.61 N ATOM 0 H GLN A 84 8.469 0.637 -3.785 1.00 0.14 H new ATOM 0 HA GLN A 84 10.402 2.517 -4.800 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.564 4.184 -5.274 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.160 3.125 -6.537 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.194 1.592 -6.047 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.572 2.840 -4.984 1.00 0.61 H new ATOM 0 HE21 GLN A 84 7.675 5.027 -6.725 1.00 1.61 H new ATOM 0 HE22 GLN A 84 6.571 5.111 -8.102 1.00 1.61 H new ATOM 1321 N ASN A 85 9.211 3.933 -2.674 1.00 0.17 N ATOM 1322 CA ASN A 85 8.652 4.232 -1.357 1.00 0.17 C ATOM 1323 C ASN A 85 7.158 3.970 -1.440 1.00 0.16 C ATOM 1324 O ASN A 85 6.443 4.706 -2.074 1.00 0.18 O ATOM 1325 CB ASN A 85 8.908 5.692 -0.894 1.00 0.19 C ATOM 1326 CG ASN A 85 8.382 6.735 -1.862 1.00 0.28 C ATOM 1327 OD1 ASN A 85 8.440 6.558 -3.076 1.00 1.22 O ATOM 1328 ND2 ASN A 85 7.850 7.824 -1.327 1.00 0.99 N ATOM 0 H ASN A 85 9.731 4.680 -3.135 1.00 0.17 H new ATOM 0 HA ASN A 85 9.142 3.599 -0.618 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.441 5.843 0.079 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.980 5.840 -0.760 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.469 8.554 -1.929 1.00 0.99 H new ATOM 0 HD22 ASN A 85 7.821 7.932 -0.313 1.00 0.99 H new ATOM 1335 N GLY A 86 6.735 2.896 -0.791 1.00 0.15 N ATOM 1336 CA GLY A 86 5.340 2.502 -0.655 1.00 0.14 C ATOM 1337 C GLY A 86 4.535 2.315 -1.951 1.00 0.12 C ATOM 1338 O GLY A 86 3.611 1.500 -1.972 1.00 0.13 O ATOM 0 H GLY A 86 7.376 2.252 -0.328 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.306 1.566 -0.098 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.834 3.253 -0.048 1.00 0.14 H new ATOM 1342 N CYS A 87 4.900 3.021 -3.024 1.00 0.11 N ATOM 1343 CA CYS A 87 4.149 3.017 -4.279 1.00 0.12 C ATOM 1344 C CYS A 87 2.800 3.718 -4.099 1.00 0.12 C ATOM 1345 O CYS A 87 2.683 4.692 -3.353 1.00 0.17 O ATOM 1346 CB CYS A 87 3.938 1.587 -4.754 1.00 0.23 C ATOM 1347 SG CYS A 87 3.422 1.423 -6.480 1.00 0.94 S ATOM 0 H CYS A 87 5.729 3.614 -3.045 1.00 0.11 H new ATOM 0 HA CYS A 87 4.723 3.560 -5.030 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.866 1.033 -4.614 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.187 1.116 -4.120 1.00 0.23 H new ATOM 0 HG CYS A 87 4.371 1.849 -7.259 1.00 0.94 H new ATOM 1353 N ARG A 88 1.785 3.230 -4.795 1.00 0.12 N ATOM 1354 CA ARG A 88 0.444 3.777 -4.697 1.00 0.13 C ATOM 1355 C ARG A 88 -0.574 2.644 -4.573 1.00 0.12 C ATOM 1356 O ARG A 88 -0.359 1.566 -5.124 1.00 0.15 O ATOM 1357 CB ARG A 88 0.132 4.658 -5.914 1.00 0.19 C ATOM 1358 CG ARG A 88 0.608 4.081 -7.242 1.00 0.82 C ATOM 1359 CD ARG A 88 1.938 4.682 -7.678 1.00 0.41 C ATOM 1360 NE ARG A 88 1.828 6.123 -7.917 1.00 0.90 N ATOM 1361 CZ ARG A 88 2.850 6.909 -8.249 1.00 1.29 C ATOM 1362 NH1 ARG A 88 4.059 6.398 -8.448 1.00 1.26 N ATOM 1363 NH2 ARG A 88 2.653 8.210 -8.416 1.00 2.07 N ATOM 0 H ARG A 88 1.869 2.446 -5.442 1.00 0.12 H new ATOM 0 HA ARG A 88 0.382 4.400 -3.805 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.945 4.818 -5.966 1.00 0.19 H new ATOM 0 HB3 ARG A 88 0.593 5.635 -5.769 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.710 3.000 -7.152 1.00 0.82 H new ATOM 0 HG3 ARG A 88 -0.144 4.267 -8.009 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.690 4.497 -6.911 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.281 4.187 -8.587 1.00 0.41 H new ATOM 0 HE ARG A 88 0.908 6.553 -7.823 1.00 0.90 H new ATOM 0 HH11 ARG A 88 4.212 5.395 -8.347 1.00 1.26 H new ATOM 0 HH12 ARG A 88 4.835 7.009 -8.702 1.00 1.26 H new ATOM 0 HH21 ARG A 88 1.721 8.605 -8.290 1.00 2.07 H new ATOM 0 HH22 ARG A 88 3.433 8.815 -8.670 1.00 2.07 H new ATOM 1377 N VAL A 89 -1.645 2.889 -3.809 1.00 0.11 N ATOM 1378 CA VAL A 89 -2.752 1.938 -3.621 1.00 0.11 C ATOM 1379 C VAL A 89 -4.046 2.692 -3.332 1.00 0.11 C ATOM 1380 O VAL A 89 -4.162 3.379 -2.316 1.00 0.12 O ATOM 1381 CB VAL A 89 -2.504 0.932 -2.472 1.00 0.13 C ATOM 1382 CG1 VAL A 89 -1.471 -0.109 -2.855 1.00 0.20 C ATOM 1383 CG2 VAL A 89 -2.083 1.649 -1.210 1.00 0.18 C ATOM 0 H VAL A 89 -1.771 3.762 -3.297 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.826 1.372 -4.550 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.446 0.416 -2.283 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.323 -0.798 -2.023 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.818 -0.662 -3.727 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.528 0.384 -3.090 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.915 0.921 -0.417 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.163 2.203 -1.396 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.868 2.342 -0.906 1.00 0.18 H new ATOM 1393 N MET A 90 -5.012 2.616 -4.226 1.00 0.11 N ATOM 1394 CA MET A 90 -6.277 3.276 -3.944 1.00 0.12 C ATOM 1395 C MET A 90 -7.445 2.320 -3.965 1.00 0.12 C ATOM 1396 O MET A 90 -7.599 1.508 -4.869 1.00 0.13 O ATOM 1397 CB MET A 90 -6.544 4.481 -4.826 1.00 0.16 C ATOM 1398 CG MET A 90 -7.352 4.180 -6.073 1.00 0.68 C ATOM 1399 SD MET A 90 -7.578 5.617 -7.147 1.00 1.30 S ATOM 1400 CE MET A 90 -8.568 6.677 -6.097 1.00 1.92 C ATOM 0 H MET A 90 -4.955 2.126 -5.119 1.00 0.11 H new ATOM 0 HA MET A 90 -6.174 3.653 -2.927 1.00 0.12 H new ATOM 0 HB2 MET A 90 -7.070 5.235 -4.240 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.590 4.917 -5.123 1.00 0.16 H new ATOM 0 HG2 MET A 90 -6.856 3.389 -6.636 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.330 3.798 -5.780 1.00 0.68 H new ATOM 0 HE1 MET A 90 -9.490 6.943 -6.614 1.00 1.92 H new ATOM 0 HE2 MET A 90 -8.809 6.151 -5.173 1.00 1.92 H new ATOM 0 HE3 MET A 90 -8.009 7.583 -5.864 1.00 1.92 H new ATOM 1410 N LEU A 91 -8.252 2.422 -2.948 1.00 0.12 N ATOM 1411 CA LEU A 91 -9.402 1.568 -2.801 1.00 0.12 C ATOM 1412 C LEU A 91 -10.662 2.343 -3.100 1.00 0.14 C ATOM 1413 O LEU A 91 -10.840 3.476 -2.644 1.00 0.15 O ATOM 1414 CB LEU A 91 -9.461 0.919 -1.404 1.00 0.11 C ATOM 1415 CG LEU A 91 -9.673 1.823 -0.162 1.00 0.12 C ATOM 1416 CD1 LEU A 91 -8.867 3.100 -0.232 1.00 0.15 C ATOM 1417 CD2 LEU A 91 -11.149 2.130 0.059 1.00 0.14 C ATOM 0 H LEU A 91 -8.133 3.100 -2.195 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.314 0.754 -3.521 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.266 0.184 -1.417 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.531 0.371 -1.257 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.308 1.257 0.695 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.052 3.696 0.661 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.806 2.858 -0.294 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.161 3.668 -1.115 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.261 2.766 0.937 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.548 2.645 -0.815 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.695 1.199 0.213 1.00 0.14 H new ATOM 1429 N ILE A 92 -11.519 1.763 -3.904 1.00 0.18 N ATOM 1430 CA ILE A 92 -12.779 2.393 -4.182 1.00 0.23 C ATOM 1431 C ILE A 92 -13.915 1.570 -3.620 1.00 0.23 C ATOM 1432 O ILE A 92 -14.179 0.447 -4.044 1.00 0.26 O ATOM 1433 CB ILE A 92 -12.991 2.644 -5.689 1.00 0.31 C ATOM 1434 CG1 ILE A 92 -11.791 3.399 -6.269 1.00 0.42 C ATOM 1435 CG2 ILE A 92 -14.274 3.432 -5.920 1.00 0.37 C ATOM 1436 CD1 ILE A 92 -11.864 3.612 -7.764 1.00 0.51 C ATOM 0 H ILE A 92 -11.368 0.868 -4.370 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.765 3.367 -3.693 1.00 0.23 H new ATOM 0 HB ILE A 92 -13.080 1.683 -6.196 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.712 4.369 -5.777 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.880 2.848 -6.035 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.410 3.601 -6.988 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.122 2.868 -5.531 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.209 4.391 -5.406 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -10.979 4.153 -8.098 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.910 2.646 -8.267 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.756 4.190 -8.006 1.00 0.51 H new ATOM 1448 N GLY A 93 -14.550 2.154 -2.636 1.00 0.24 N ATOM 1449 CA GLY A 93 -15.675 1.540 -1.979 1.00 0.28 C ATOM 1450 C GLY A 93 -15.980 2.279 -0.706 1.00 0.30 C ATOM 1451 O GLY A 93 -16.747 3.241 -0.706 1.00 0.45 O ATOM 0 H GLY A 93 -14.300 3.072 -2.267 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.544 1.553 -2.636 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.456 0.495 -1.761 1.00 0.28 H new ATOM 1455 N GLU A 94 -15.338 1.862 0.369 1.00 0.25 N ATOM 1456 CA GLU A 94 -15.435 2.566 1.628 1.00 0.26 C ATOM 1457 C GLU A 94 -14.141 2.427 2.415 1.00 0.24 C ATOM 1458 O GLU A 94 -13.584 1.339 2.513 1.00 0.35 O ATOM 1459 CB GLU A 94 -16.594 2.027 2.462 1.00 0.32 C ATOM 1460 CG GLU A 94 -16.753 2.765 3.780 1.00 0.98 C ATOM 1461 CD GLU A 94 -17.867 2.221 4.642 1.00 1.53 C ATOM 1462 OE1 GLU A 94 -19.014 2.135 4.159 1.00 2.02 O ATOM 1463 OE2 GLU A 94 -17.600 1.905 5.820 1.00 2.17 O ATOM 0 H GLU A 94 -14.742 1.035 0.392 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.614 3.619 1.410 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -17.518 2.108 1.890 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.434 0.967 2.660 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -15.816 2.710 4.334 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -16.942 3.819 3.577 1.00 0.98 H new ATOM 1470 N LYS A 95 -13.656 3.533 2.953 1.00 0.25 N ATOM 1471 CA LYS A 95 -12.555 3.488 3.895 1.00 0.26 C ATOM 1472 C LYS A 95 -13.109 3.494 5.310 1.00 0.39 C ATOM 1473 O LYS A 95 -13.103 4.519 5.992 1.00 0.48 O ATOM 1474 CB LYS A 95 -11.599 4.666 3.695 1.00 0.28 C ATOM 1475 CG LYS A 95 -10.390 4.342 2.829 1.00 0.27 C ATOM 1476 CD LYS A 95 -9.407 5.499 2.813 1.00 0.55 C ATOM 1477 CE LYS A 95 -8.160 5.198 1.990 1.00 0.35 C ATOM 1478 NZ LYS A 95 -7.192 6.324 2.063 1.00 1.19 N ATOM 0 H LYS A 95 -14.007 4.470 2.753 1.00 0.25 H new ATOM 0 HA LYS A 95 -11.988 2.573 3.724 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.147 5.492 3.242 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.253 5.010 4.670 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -9.897 3.446 3.207 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.715 4.122 1.812 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -9.899 6.384 2.409 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.114 5.736 3.836 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.690 4.285 2.355 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.439 5.020 0.952 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.424 6.167 1.379 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.679 7.215 1.838 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -6.795 6.379 3.023 1.00 1.19 H new