USER MOD reduce.3.24.130724 H: found=0, std=0, add=1121, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1123 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 72 MET CE :methyl -115:sc= -0.28 (180deg=-3.3!) USER MOD Set 1.2: M 32 LYS NZ :NH3+ -164:sc= -0.854 (180deg=-1.25) USER MOD Set 2.1: A 138 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: M 30 LYS NZ :NH3+ -169:sc= 0.383 (180deg=0.312) USER MOD Set 3.1: A 94 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0154) USER MOD Set 3.2: A 107 HIS : no HD1:sc= -0.429 X(o=-0.86,f=-0.47) USER MOD Set 3.3: A 111 ASN : amide:sc= -0.435 X(o=-0.86,f=-1.3) USER MOD Set 4.1: A 109 MET CE :methyl -164:sc= -0.914 (180deg=-1.1) USER MOD Set 4.2: A 124 MET CE :methyl 148:sc= -0.465 (180deg=-3.1!) USER MOD Set 5.1: A 60 ASN : amide:sc= -0.765 K(o=-1.2,f=-11!) USER MOD Set 5.2: A 62 THR OG1 : rot 180:sc= -0.436 USER MOD Set 6.1: A 49 GLN :FLIP amide:sc= 0.718 F(o=-2,f=-0.63) USER MOD Set 6.2: A 53 ASN :FLIP amide:sc= -1.35! F(o=-4.4,f=-0.63!) USER MOD Set 7.1: A 36 MET CE :methyl 135:sc= -0.722 (180deg=-4.85!) USER MOD Set 7.2: A 41 GLN : amide:sc= -0.0396 K(o=-0.76,f=-2.1) USER MOD Single : A 8 GLN : amide:sc=-0.00582 K(o=-0.0058,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -28:sc= 0.453 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 66:sc= 1.17 USER MOD Single : A 38 SER OG : rot 85:sc= -3.63! USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 51 MET CE :methyl 176:sc= -4.79 (180deg=-4.91) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 154:sc= -0.259 (180deg=-2.95) USER MOD Single : A 97 ASN : amide:sc= -2.23 K(o=-2.2,f=-11!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.3!) USER MOD Single : A 137 ASN : amide:sc= -1.97 K(o=-2,f=-15!) USER MOD Single : A 143 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.7) USER MOD Single : A 144 MET CE :methyl -127:sc= -1.2 (180deg=-5.01!) USER MOD Single : A 145 MET CE :methyl -175:sc= -2.21 (180deg=-2.22) USER MOD Single : A 146 THR OG1 : rot 78:sc= 0.587 USER MOD Single : M 15 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.201) USER MOD Single : M 18 LYS NZ :NH3+ -155:sc= -0.196 (180deg=-0.744) USER MOD Single : M 33 HIS : no HD1:sc= -0.073 X(o=-0.073,f=-0.53) USER MOD Single : M 38 SER OG : rot 180:sc= -0.345 USER MOD ----------------------------------------------------------------- ATOM 103 N GLN A 8 21.269 -3.824 8.037 1.00 40.21 N ATOM 104 CA GLN A 8 20.588 -5.099 7.848 1.00 71.03 C ATOM 105 C GLN A 8 21.102 -5.811 6.601 1.00 53.13 C ATOM 106 O GLN A 8 21.224 -7.036 6.580 1.00 62.02 O ATOM 107 CB GLN A 8 19.077 -4.883 7.740 1.00 23.44 C ATOM 108 CG GLN A 8 18.287 -6.175 7.603 1.00 14.54 C ATOM 109 CD GLN A 8 17.921 -6.780 8.944 1.00 14.22 C ATOM 110 OE1 GLN A 8 18.529 -6.464 9.967 1.00 34.35 O ATOM 111 NE2 GLN A 8 16.922 -7.655 8.946 1.00 10.02 N ATOM 0 HA GLN A 8 20.797 -5.726 8.715 1.00 71.03 H new ATOM 0 HB2 GLN A 8 18.731 -4.347 8.624 1.00 23.44 H new ATOM 0 HB3 GLN A 8 18.870 -4.247 6.880 1.00 23.44 H new ATOM 0 HG2 GLN A 8 17.377 -5.981 7.035 1.00 14.54 H new ATOM 0 HG3 GLN A 8 18.872 -6.895 7.031 1.00 14.54 H new ATOM 0 HE21 GLN A 8 16.446 -7.887 8.074 1.00 10.02 H new ATOM 0 HE22 GLN A 8 16.631 -8.095 9.819 1.00 10.02 H new ATOM 120 N ILE A 9 21.400 -5.036 5.564 1.00 42.34 N ATOM 121 CA ILE A 9 21.901 -5.593 4.313 1.00 4.34 C ATOM 122 C ILE A 9 23.340 -6.074 4.464 1.00 63.41 C ATOM 123 O ILE A 9 23.721 -7.106 3.912 1.00 62.12 O ATOM 124 CB ILE A 9 21.834 -4.562 3.171 1.00 72.22 C ATOM 125 CG1 ILE A 9 20.395 -4.080 2.974 1.00 60.20 C ATOM 126 CG2 ILE A 9 22.378 -5.163 1.883 1.00 11.42 C ATOM 127 CD1 ILE A 9 20.291 -2.798 2.178 1.00 32.11 C ATOM 0 H ILE A 9 21.303 -4.021 5.565 1.00 42.34 H new ATOM 0 HA ILE A 9 21.261 -6.440 4.065 1.00 4.34 H new ATOM 0 HB ILE A 9 22.451 -3.704 3.438 1.00 72.22 H new ATOM 0 HG12 ILE A 9 19.825 -4.860 2.468 1.00 60.20 H new ATOM 0 HG13 ILE A 9 19.934 -3.931 3.950 1.00 60.20 H new ATOM 0 HG21 ILE A 9 22.324 -4.423 1.085 1.00 11.42 H new ATOM 0 HG22 ILE A 9 23.416 -5.462 2.031 1.00 11.42 H new ATOM 0 HG23 ILE A 9 21.784 -6.035 1.609 1.00 11.42 H new ATOM 0 HD11 ILE A 9 19.243 -2.516 2.078 1.00 32.11 H new ATOM 0 HD12 ILE A 9 20.833 -2.005 2.693 1.00 32.11 H new ATOM 0 HD13 ILE A 9 20.723 -2.948 1.188 1.00 32.11 H new ATOM 139 N ALA A 10 24.135 -5.321 5.217 1.00 41.12 N ATOM 140 CA ALA A 10 25.531 -5.673 5.444 1.00 43.24 C ATOM 141 C ALA A 10 25.649 -6.964 6.247 1.00 54.31 C ATOM 142 O ALA A 10 26.639 -7.686 6.136 1.00 13.23 O ATOM 143 CB ALA A 10 26.252 -4.538 6.156 1.00 25.21 C ATOM 0 H ALA A 10 23.836 -4.463 5.680 1.00 41.12 H new ATOM 0 HA ALA A 10 26.001 -5.836 4.474 1.00 43.24 H new ATOM 0 HB1 ALA A 10 27.294 -4.814 6.319 1.00 25.21 H new ATOM 0 HB2 ALA A 10 26.207 -3.638 5.543 1.00 25.21 H new ATOM 0 HB3 ALA A 10 25.772 -4.348 7.116 1.00 25.21 H new ATOM 149 N GLU A 11 24.632 -7.247 7.055 1.00 11.34 N ATOM 150 CA GLU A 11 24.623 -8.451 7.878 1.00 4.52 C ATOM 151 C GLU A 11 24.337 -9.687 7.031 1.00 44.24 C ATOM 152 O GLU A 11 24.997 -10.717 7.173 1.00 50.35 O ATOM 153 CB GLU A 11 23.579 -8.328 8.990 1.00 41.13 C ATOM 154 CG GLU A 11 24.083 -7.593 10.220 1.00 23.13 C ATOM 155 CD GLU A 11 24.965 -8.461 11.098 1.00 52.34 C ATOM 156 OE1 GLU A 11 24.446 -9.434 11.683 1.00 11.33 O ATOM 157 OE2 GLU A 11 26.174 -8.166 11.198 1.00 65.23 O ATOM 0 H GLU A 11 23.804 -6.660 7.157 1.00 11.34 H new ATOM 0 HA GLU A 11 25.610 -8.560 8.327 1.00 4.52 H new ATOM 0 HB2 GLU A 11 22.704 -7.808 8.599 1.00 41.13 H new ATOM 0 HB3 GLU A 11 23.252 -9.326 9.282 1.00 41.13 H new ATOM 0 HG2 GLU A 11 24.643 -6.711 9.908 1.00 23.13 H new ATOM 0 HG3 GLU A 11 23.232 -7.240 10.802 1.00 23.13 H new ATOM 164 N PHE A 12 23.349 -9.577 6.149 1.00 12.03 N ATOM 165 CA PHE A 12 22.973 -10.686 5.279 1.00 4.55 C ATOM 166 C PHE A 12 23.989 -10.863 4.155 1.00 43.52 C ATOM 167 O PHE A 12 24.418 -11.978 3.859 1.00 23.24 O ATOM 168 CB PHE A 12 21.580 -10.451 4.691 1.00 24.15 C ATOM 169 CG PHE A 12 20.484 -10.477 5.718 1.00 3.21 C ATOM 170 CD1 PHE A 12 20.439 -11.475 6.678 1.00 61.02 C ATOM 171 CD2 PHE A 12 19.499 -9.503 5.723 1.00 52.21 C ATOM 172 CE1 PHE A 12 19.432 -11.501 7.624 1.00 21.42 C ATOM 173 CE2 PHE A 12 18.490 -9.524 6.667 1.00 54.30 C ATOM 174 CZ PHE A 12 18.455 -10.525 7.618 1.00 45.10 C ATOM 0 H PHE A 12 22.794 -8.731 6.018 1.00 12.03 H new ATOM 0 HA PHE A 12 22.958 -11.597 5.878 1.00 4.55 H new ATOM 0 HB2 PHE A 12 21.567 -9.487 4.182 1.00 24.15 H new ATOM 0 HB3 PHE A 12 21.379 -11.213 3.937 1.00 24.15 H new ATOM 0 HD1 PHE A 12 21.200 -12.242 6.687 1.00 61.02 H new ATOM 0 HD2 PHE A 12 19.520 -8.719 4.981 1.00 52.21 H new ATOM 0 HE1 PHE A 12 19.409 -12.284 8.367 1.00 21.42 H new ATOM 0 HE2 PHE A 12 17.729 -8.758 6.661 1.00 54.30 H new ATOM 0 HZ PHE A 12 17.666 -10.544 8.355 1.00 45.10 H new ATOM 184 N LYS A 13 24.370 -9.754 3.530 1.00 40.43 N ATOM 185 CA LYS A 13 25.336 -9.783 2.438 1.00 73.34 C ATOM 186 C LYS A 13 26.638 -10.443 2.881 1.00 52.14 C ATOM 187 O LYS A 13 27.202 -11.267 2.162 1.00 35.40 O ATOM 188 CB LYS A 13 25.615 -8.364 1.938 1.00 71.25 C ATOM 189 CG LYS A 13 26.575 -8.311 0.762 1.00 71.53 C ATOM 190 CD LYS A 13 27.135 -6.913 0.561 1.00 34.10 C ATOM 191 CE LYS A 13 26.188 -6.046 -0.254 1.00 51.34 C ATOM 192 NZ LYS A 13 26.558 -4.605 -0.186 1.00 1.10 N ATOM 0 H LYS A 13 24.024 -8.823 3.761 1.00 40.43 H new ATOM 0 HA LYS A 13 24.910 -10.370 1.625 1.00 73.34 H new ATOM 0 HB2 LYS A 13 24.673 -7.898 1.649 1.00 71.25 H new ATOM 0 HB3 LYS A 13 26.024 -7.773 2.757 1.00 71.25 H new ATOM 0 HG2 LYS A 13 27.394 -9.011 0.928 1.00 71.53 H new ATOM 0 HG3 LYS A 13 26.060 -8.631 -0.144 1.00 71.53 H new ATOM 0 HD2 LYS A 13 27.312 -6.448 1.531 1.00 34.10 H new ATOM 0 HD3 LYS A 13 28.099 -6.975 0.056 1.00 34.10 H new ATOM 0 HE2 LYS A 13 26.198 -6.375 -1.293 1.00 51.34 H new ATOM 0 HE3 LYS A 13 25.170 -6.177 0.112 1.00 51.34 H new ATOM 0 HZ1 LYS A 13 25.889 -4.048 -0.754 1.00 1.10 H new ATOM 0 HZ2 LYS A 13 26.524 -4.284 0.803 1.00 1.10 H new ATOM 0 HZ3 LYS A 13 27.520 -4.476 -0.559 1.00 1.10 H new ATOM 206 N GLU A 14 27.108 -10.075 4.068 1.00 4.22 N ATOM 207 CA GLU A 14 28.344 -10.632 4.606 1.00 71.32 C ATOM 208 C GLU A 14 28.302 -12.158 4.595 1.00 45.33 C ATOM 209 O GLU A 14 29.328 -12.816 4.421 1.00 12.31 O ATOM 210 CB GLU A 14 28.579 -10.128 6.031 1.00 3.10 C ATOM 211 CG GLU A 14 29.347 -8.818 6.094 1.00 21.21 C ATOM 212 CD GLU A 14 29.459 -8.275 7.505 1.00 12.24 C ATOM 213 OE1 GLU A 14 29.142 -9.020 8.456 1.00 71.24 O ATOM 214 OE2 GLU A 14 29.864 -7.103 7.659 1.00 72.40 O ATOM 0 H GLU A 14 26.652 -9.394 4.676 1.00 4.22 H new ATOM 0 HA GLU A 14 29.167 -10.303 3.972 1.00 71.32 H new ATOM 0 HB2 GLU A 14 27.616 -9.999 6.525 1.00 3.10 H new ATOM 0 HB3 GLU A 14 29.125 -10.887 6.591 1.00 3.10 H new ATOM 0 HG2 GLU A 14 30.347 -8.967 5.686 1.00 21.21 H new ATOM 0 HG3 GLU A 14 28.852 -8.080 5.463 1.00 21.21 H new ATOM 221 N ALA A 15 27.110 -12.713 4.782 1.00 55.31 N ATOM 222 CA ALA A 15 26.933 -14.160 4.792 1.00 3.42 C ATOM 223 C ALA A 15 27.188 -14.754 3.411 1.00 0.50 C ATOM 224 O ALA A 15 27.827 -15.798 3.282 1.00 72.04 O ATOM 225 CB ALA A 15 25.535 -14.517 5.273 1.00 32.51 C ATOM 0 H ALA A 15 26.251 -12.182 4.929 1.00 55.31 H new ATOM 0 HA ALA A 15 27.662 -14.586 5.481 1.00 3.42 H new ATOM 0 HB1 ALA A 15 25.417 -15.601 5.275 1.00 32.51 H new ATOM 0 HB2 ALA A 15 25.389 -14.134 6.283 1.00 32.51 H new ATOM 0 HB3 ALA A 15 24.796 -14.073 4.606 1.00 32.51 H new ATOM 231 N PHE A 16 26.684 -14.082 2.381 1.00 0.21 N ATOM 232 CA PHE A 16 26.856 -14.545 1.009 1.00 54.41 C ATOM 233 C PHE A 16 28.334 -14.723 0.676 1.00 40.31 C ATOM 234 O PHE A 16 28.756 -15.787 0.224 1.00 33.31 O ATOM 235 CB PHE A 16 26.217 -13.556 0.031 1.00 35.32 C ATOM 236 CG PHE A 16 26.197 -14.046 -1.389 1.00 13.33 C ATOM 237 CD1 PHE A 16 25.231 -14.945 -1.812 1.00 1.20 C ATOM 238 CD2 PHE A 16 27.143 -13.606 -2.300 1.00 61.32 C ATOM 239 CE1 PHE A 16 25.211 -15.397 -3.118 1.00 22.23 C ATOM 240 CE2 PHE A 16 27.128 -14.055 -3.607 1.00 51.15 C ATOM 241 CZ PHE A 16 26.160 -14.951 -4.017 1.00 11.11 C ATOM 0 H PHE A 16 26.153 -13.215 2.470 1.00 0.21 H new ATOM 0 HA PHE A 16 26.361 -15.512 0.914 1.00 54.41 H new ATOM 0 HB2 PHE A 16 25.195 -13.350 0.350 1.00 35.32 H new ATOM 0 HB3 PHE A 16 26.761 -12.612 0.074 1.00 35.32 H new ATOM 0 HD1 PHE A 16 24.486 -15.296 -1.114 1.00 1.20 H new ATOM 0 HD2 PHE A 16 27.901 -12.904 -1.985 1.00 61.32 H new ATOM 0 HE1 PHE A 16 24.454 -16.099 -3.435 1.00 22.23 H new ATOM 0 HE2 PHE A 16 27.872 -13.706 -4.307 1.00 51.15 H new ATOM 0 HZ PHE A 16 26.145 -15.302 -5.038 1.00 11.11 H new ATOM 251 N SER A 17 29.116 -13.672 0.902 1.00 22.11 N ATOM 252 CA SER A 17 30.547 -13.710 0.622 1.00 12.14 C ATOM 253 C SER A 17 31.214 -14.867 1.359 1.00 30.42 C ATOM 254 O SER A 17 32.239 -15.390 0.919 1.00 32.44 O ATOM 255 CB SER A 17 31.202 -12.388 1.027 1.00 41.23 C ATOM 256 OG SER A 17 30.678 -11.308 0.273 1.00 4.24 O ATOM 0 H SER A 17 28.783 -12.784 1.278 1.00 22.11 H new ATOM 0 HA SER A 17 30.679 -13.860 -0.450 1.00 12.14 H new ATOM 0 HB2 SER A 17 31.038 -12.208 2.089 1.00 41.23 H new ATOM 0 HB3 SER A 17 32.280 -12.451 0.877 1.00 41.23 H new ATOM 0 HG SER A 17 31.111 -10.474 0.551 1.00 4.24 H new ATOM 262 N LEU A 18 30.626 -15.263 2.483 1.00 54.43 N ATOM 263 CA LEU A 18 31.162 -16.359 3.282 1.00 14.44 C ATOM 264 C LEU A 18 31.033 -17.686 2.543 1.00 71.35 C ATOM 265 O LEU A 18 31.939 -18.519 2.577 1.00 45.40 O ATOM 266 CB LEU A 18 30.435 -16.438 4.626 1.00 23.23 C ATOM 267 CG LEU A 18 31.144 -17.229 5.727 1.00 70.05 C ATOM 268 CD1 LEU A 18 32.523 -16.648 5.998 1.00 70.03 C ATOM 269 CD2 LEU A 18 30.308 -17.240 6.998 1.00 3.12 C ATOM 0 H LEU A 18 29.778 -14.841 2.861 1.00 54.43 H new ATOM 0 HA LEU A 18 32.220 -16.164 3.458 1.00 14.44 H new ATOM 0 HB2 LEU A 18 30.267 -15.423 4.986 1.00 23.23 H new ATOM 0 HB3 LEU A 18 29.454 -16.884 4.460 1.00 23.23 H new ATOM 0 HG LEU A 18 31.266 -18.258 5.388 1.00 70.05 H new ATOM 0 HD11 LEU A 18 33.012 -17.223 6.784 1.00 70.03 H new ATOM 0 HD12 LEU A 18 33.122 -16.693 5.089 1.00 70.03 H new ATOM 0 HD13 LEU A 18 32.424 -15.610 6.316 1.00 70.03 H new ATOM 0 HD21 LEU A 18 30.828 -17.807 7.770 1.00 3.12 H new ATOM 0 HD22 LEU A 18 30.154 -16.217 7.341 1.00 3.12 H new ATOM 0 HD23 LEU A 18 29.343 -17.704 6.795 1.00 3.12 H new ATOM 281 N PHE A 19 29.902 -17.877 1.872 1.00 15.20 N ATOM 282 CA PHE A 19 29.654 -19.103 1.122 1.00 3.22 C ATOM 283 C PHE A 19 30.312 -19.041 -0.253 1.00 61.22 C ATOM 284 O PHE A 19 30.781 -20.053 -0.775 1.00 75.11 O ATOM 285 CB PHE A 19 28.150 -19.339 0.971 1.00 41.44 C ATOM 286 CG PHE A 19 27.497 -19.863 2.217 1.00 12.34 C ATOM 287 CD1 PHE A 19 27.419 -21.226 2.454 1.00 2.43 C ATOM 288 CD2 PHE A 19 26.960 -18.992 3.152 1.00 32.32 C ATOM 289 CE1 PHE A 19 26.819 -21.711 3.601 1.00 70.22 C ATOM 290 CE2 PHE A 19 26.359 -19.472 4.301 1.00 52.04 C ATOM 291 CZ PHE A 19 26.287 -20.833 4.525 1.00 62.14 C ATOM 0 H PHE A 19 29.142 -17.198 1.832 1.00 15.20 H new ATOM 0 HA PHE A 19 30.090 -19.934 1.677 1.00 3.22 H new ATOM 0 HB2 PHE A 19 27.670 -18.403 0.685 1.00 41.44 H new ATOM 0 HB3 PHE A 19 27.981 -20.045 0.158 1.00 41.44 H new ATOM 0 HD1 PHE A 19 27.832 -21.917 1.734 1.00 2.43 H new ATOM 0 HD2 PHE A 19 27.012 -17.927 2.981 1.00 32.32 H new ATOM 0 HE1 PHE A 19 26.766 -22.776 3.775 1.00 70.22 H new ATOM 0 HE2 PHE A 19 25.946 -18.783 5.023 1.00 52.04 H new ATOM 0 HZ PHE A 19 25.816 -21.210 5.421 1.00 62.14 H new ATOM 301 N ASP A 20 30.343 -17.847 -0.835 1.00 35.24 N ATOM 302 CA ASP A 20 30.943 -17.652 -2.149 1.00 51.02 C ATOM 303 C ASP A 20 32.458 -17.816 -2.084 1.00 62.14 C ATOM 304 O ASP A 20 33.178 -16.892 -1.706 1.00 22.04 O ATOM 305 CB ASP A 20 30.590 -16.267 -2.694 1.00 3.11 C ATOM 306 CG ASP A 20 30.536 -16.237 -4.209 1.00 31.14 C ATOM 307 OD1 ASP A 20 31.003 -17.209 -4.839 1.00 20.23 O ATOM 308 OD2 ASP A 20 30.025 -15.242 -4.764 1.00 64.21 O ATOM 0 H ASP A 20 29.959 -16.999 -0.417 1.00 35.24 H new ATOM 0 HA ASP A 20 30.542 -18.411 -2.821 1.00 51.02 H new ATOM 0 HB2 ASP A 20 29.625 -15.957 -2.293 1.00 3.11 H new ATOM 0 HB3 ASP A 20 31.327 -15.544 -2.345 1.00 3.11 H new ATOM 313 N LYS A 21 32.936 -18.999 -2.456 1.00 4.14 N ATOM 314 CA LYS A 21 34.366 -19.286 -2.440 1.00 52.23 C ATOM 315 C LYS A 21 35.082 -18.544 -3.565 1.00 34.31 C ATOM 316 O LYS A 21 36.021 -17.786 -3.322 1.00 34.11 O ATOM 317 CB LYS A 21 34.606 -20.791 -2.574 1.00 23.21 C ATOM 318 CG LYS A 21 34.191 -21.585 -1.347 1.00 55.32 C ATOM 319 CD LYS A 21 35.099 -21.298 -0.163 1.00 52.14 C ATOM 320 CE LYS A 21 35.141 -22.471 0.804 1.00 63.24 C ATOM 321 NZ LYS A 21 35.772 -22.099 2.100 1.00 14.34 N ATOM 0 H LYS A 21 32.354 -19.775 -2.772 1.00 4.14 H new ATOM 0 HA LYS A 21 34.770 -18.943 -1.487 1.00 52.23 H new ATOM 0 HB2 LYS A 21 34.057 -21.162 -3.439 1.00 23.21 H new ATOM 0 HB3 LYS A 21 35.664 -20.966 -2.769 1.00 23.21 H new ATOM 0 HG2 LYS A 21 33.162 -21.340 -1.085 1.00 55.32 H new ATOM 0 HG3 LYS A 21 34.216 -22.650 -1.576 1.00 55.32 H new ATOM 0 HD2 LYS A 21 36.106 -21.083 -0.519 1.00 52.14 H new ATOM 0 HD3 LYS A 21 34.748 -20.407 0.359 1.00 52.14 H new ATOM 0 HE2 LYS A 21 34.128 -22.830 0.983 1.00 63.24 H new ATOM 0 HE3 LYS A 21 35.696 -23.294 0.353 1.00 63.24 H new ATOM 0 HZ1 LYS A 21 35.782 -22.925 2.731 1.00 14.34 H new ATOM 0 HZ2 LYS A 21 36.748 -21.780 1.932 1.00 14.34 H new ATOM 0 HZ3 LYS A 21 35.228 -21.331 2.543 1.00 14.34 H new ATOM 335 N ASP A 22 34.631 -18.767 -4.795 1.00 22.14 N ATOM 336 CA ASP A 22 35.227 -18.118 -5.956 1.00 42.24 C ATOM 337 C ASP A 22 34.828 -16.647 -6.021 1.00 43.12 C ATOM 338 O ASP A 22 35.369 -15.881 -6.818 1.00 2.14 O ATOM 339 CB ASP A 22 34.801 -18.832 -7.240 1.00 45.55 C ATOM 340 CG ASP A 22 33.341 -18.601 -7.574 1.00 53.41 C ATOM 341 OD1 ASP A 22 32.583 -18.190 -6.670 1.00 31.41 O ATOM 342 OD2 ASP A 22 32.956 -18.829 -8.740 1.00 35.24 O ATOM 0 H ASP A 22 33.855 -19.392 -5.013 1.00 22.14 H new ATOM 0 HA ASP A 22 36.311 -18.178 -5.858 1.00 42.24 H new ATOM 0 HB2 ASP A 22 35.419 -18.485 -8.068 1.00 45.55 H new ATOM 0 HB3 ASP A 22 34.982 -19.902 -7.134 1.00 45.55 H new ATOM 347 N GLY A 23 33.877 -16.259 -5.177 1.00 74.13 N ATOM 348 CA GLY A 23 33.420 -14.882 -5.156 1.00 4.42 C ATOM 349 C GLY A 23 33.025 -14.380 -6.531 1.00 24.23 C ATOM 350 O GLY A 23 33.385 -13.269 -6.920 1.00 55.14 O ATOM 0 H GLY A 23 33.415 -16.874 -4.507 1.00 74.13 H new ATOM 0 HA2 GLY A 23 32.567 -14.796 -4.483 1.00 4.42 H new ATOM 0 HA3 GLY A 23 34.209 -14.247 -4.754 1.00 4.42 H new ATOM 354 N ASP A 24 32.286 -15.201 -7.268 1.00 33.10 N ATOM 355 CA ASP A 24 31.842 -14.835 -8.608 1.00 70.00 C ATOM 356 C ASP A 24 30.510 -14.093 -8.556 1.00 31.43 C ATOM 357 O ASP A 24 30.105 -13.454 -9.526 1.00 4.34 O ATOM 358 CB ASP A 24 31.712 -16.082 -9.484 1.00 35.23 C ATOM 359 CG ASP A 24 30.568 -16.977 -9.049 1.00 72.53 C ATOM 360 OD1 ASP A 24 30.148 -16.878 -7.877 1.00 41.11 O ATOM 361 OD2 ASP A 24 30.092 -17.777 -9.882 1.00 33.12 O ATOM 0 H ASP A 24 31.982 -16.125 -6.960 1.00 33.10 H new ATOM 0 HA ASP A 24 32.590 -14.172 -9.043 1.00 70.00 H new ATOM 0 HB2 ASP A 24 31.560 -15.780 -10.520 1.00 35.23 H new ATOM 0 HB3 ASP A 24 32.644 -16.646 -9.450 1.00 35.23 H new ATOM 366 N GLY A 25 29.831 -14.185 -7.416 1.00 24.21 N ATOM 367 CA GLY A 25 28.552 -13.519 -7.259 1.00 34.33 C ATOM 368 C GLY A 25 27.384 -14.483 -7.331 1.00 72.02 C ATOM 369 O GLY A 25 26.251 -14.124 -7.009 1.00 12.24 O ATOM 0 H GLY A 25 30.144 -14.709 -6.599 1.00 24.21 H new ATOM 0 HA2 GLY A 25 28.532 -12.999 -6.301 1.00 34.33 H new ATOM 0 HA3 GLY A 25 28.442 -12.762 -8.035 1.00 34.33 H new ATOM 373 N THR A 26 27.658 -15.712 -7.758 1.00 2.02 N ATOM 374 CA THR A 26 26.622 -16.730 -7.875 1.00 15.35 C ATOM 375 C THR A 26 27.055 -18.034 -7.216 1.00 63.43 C ATOM 376 O THR A 26 28.155 -18.530 -7.465 1.00 74.31 O ATOM 377 CB THR A 26 26.267 -17.004 -9.348 1.00 64.42 C ATOM 378 OG1 THR A 26 27.323 -17.740 -9.977 1.00 1.31 O ATOM 379 CG2 THR A 26 26.032 -15.703 -10.100 1.00 14.13 C ATOM 0 H THR A 26 28.590 -16.026 -8.029 1.00 2.02 H new ATOM 0 HA THR A 26 25.741 -16.344 -7.363 1.00 15.35 H new ATOM 0 HB THR A 26 25.349 -17.591 -9.374 1.00 64.42 H new ATOM 0 HG1 THR A 26 28.173 -17.536 -9.534 1.00 1.31 H new ATOM 0 HG21 THR A 26 25.783 -15.923 -11.138 1.00 14.13 H new ATOM 0 HG22 THR A 26 25.209 -15.158 -9.637 1.00 14.13 H new ATOM 0 HG23 THR A 26 26.935 -15.094 -10.065 1.00 14.13 H new ATOM 387 N ILE A 27 26.186 -18.586 -6.377 1.00 14.34 N ATOM 388 CA ILE A 27 26.479 -19.834 -5.684 1.00 62.44 C ATOM 389 C ILE A 27 26.005 -21.036 -6.494 1.00 31.51 C ATOM 390 O ILE A 27 24.865 -21.077 -6.958 1.00 12.41 O ATOM 391 CB ILE A 27 25.821 -19.875 -4.293 1.00 12.13 C ATOM 392 CG1 ILE A 27 26.071 -18.562 -3.548 1.00 20.13 C ATOM 393 CG2 ILE A 27 26.350 -21.055 -3.491 1.00 13.54 C ATOM 394 CD1 ILE A 27 25.407 -18.502 -2.190 1.00 53.41 C ATOM 0 H ILE A 27 25.272 -18.188 -6.160 1.00 14.34 H new ATOM 0 HA ILE A 27 27.561 -19.882 -5.565 1.00 62.44 H new ATOM 0 HB ILE A 27 24.746 -20.000 -4.419 1.00 12.13 H new ATOM 0 HG12 ILE A 27 27.145 -18.422 -3.425 1.00 20.13 H new ATOM 0 HG13 ILE A 27 25.710 -17.733 -4.157 1.00 20.13 H new ATOM 0 HG21 ILE A 27 25.875 -21.070 -2.510 1.00 13.54 H new ATOM 0 HG22 ILE A 27 26.125 -21.983 -4.017 1.00 13.54 H new ATOM 0 HG23 ILE A 27 27.429 -20.959 -3.370 1.00 13.54 H new ATOM 0 HD11 ILE A 27 25.627 -17.544 -1.720 1.00 53.41 H new ATOM 0 HD12 ILE A 27 24.329 -18.610 -2.307 1.00 53.41 H new ATOM 0 HD13 ILE A 27 25.786 -19.309 -1.564 1.00 53.41 H new ATOM 406 N THR A 28 26.887 -22.017 -6.659 1.00 61.31 N ATOM 407 CA THR A 28 26.559 -23.221 -7.412 1.00 23.41 C ATOM 408 C THR A 28 26.414 -24.425 -6.488 1.00 24.12 C ATOM 409 O THR A 28 26.514 -24.300 -5.267 1.00 11.33 O ATOM 410 CB THR A 28 27.632 -23.530 -8.474 1.00 11.35 C ATOM 411 OG1 THR A 28 28.839 -23.966 -7.838 1.00 73.13 O ATOM 412 CG2 THR A 28 27.917 -22.303 -9.327 1.00 30.11 C ATOM 0 H THR A 28 27.834 -22.001 -6.281 1.00 61.31 H new ATOM 0 HA THR A 28 25.608 -23.032 -7.911 1.00 23.41 H new ATOM 0 HB THR A 28 27.255 -24.323 -9.120 1.00 11.35 H new ATOM 0 HG1 THR A 28 29.515 -24.162 -8.519 1.00 73.13 H new ATOM 0 HG21 THR A 28 28.677 -22.545 -10.070 1.00 30.11 H new ATOM 0 HG22 THR A 28 27.003 -21.991 -9.832 1.00 30.11 H new ATOM 0 HG23 THR A 28 28.275 -21.493 -8.691 1.00 30.11 H new ATOM 420 N THR A 29 26.179 -25.593 -7.077 1.00 63.34 N ATOM 421 CA THR A 29 26.020 -26.820 -6.307 1.00 23.01 C ATOM 422 C THR A 29 27.317 -27.197 -5.600 1.00 61.41 C ATOM 423 O THR A 29 27.306 -27.617 -4.443 1.00 5.03 O ATOM 424 CB THR A 29 25.577 -27.992 -7.202 1.00 71.43 C ATOM 425 OG1 THR A 29 26.324 -27.985 -8.424 1.00 73.21 O ATOM 426 CG2 THR A 29 24.090 -27.906 -7.510 1.00 52.44 C ATOM 0 H THR A 29 26.094 -25.715 -8.086 1.00 63.34 H new ATOM 0 HA THR A 29 25.246 -26.628 -5.564 1.00 23.01 H new ATOM 0 HB THR A 29 25.767 -28.922 -6.666 1.00 71.43 H new ATOM 0 HG1 THR A 29 26.038 -28.734 -8.987 1.00 73.21 H new ATOM 0 HG21 THR A 29 23.801 -28.744 -8.144 1.00 52.44 H new ATOM 0 HG22 THR A 29 23.523 -27.941 -6.580 1.00 52.44 H new ATOM 0 HG23 THR A 29 23.879 -26.970 -8.028 1.00 52.44 H new ATOM 434 N LYS A 30 28.434 -27.045 -6.303 1.00 64.30 N ATOM 435 CA LYS A 30 29.741 -27.368 -5.743 1.00 23.22 C ATOM 436 C LYS A 30 30.113 -26.392 -4.631 1.00 60.02 C ATOM 437 O LYS A 30 30.498 -26.802 -3.537 1.00 3.11 O ATOM 438 CB LYS A 30 30.809 -27.341 -6.838 1.00 45.13 C ATOM 439 CG LYS A 30 30.812 -28.581 -7.716 1.00 44.50 C ATOM 440 CD LYS A 30 32.101 -28.696 -8.513 1.00 73.15 C ATOM 441 CE LYS A 30 32.083 -29.912 -9.428 1.00 2.35 C ATOM 442 NZ LYS A 30 33.406 -30.141 -10.071 1.00 44.21 N ATOM 0 H LYS A 30 28.460 -26.700 -7.262 1.00 64.30 H new ATOM 0 HA LYS A 30 29.689 -28.371 -5.320 1.00 23.22 H new ATOM 0 HB2 LYS A 30 30.653 -26.463 -7.465 1.00 45.13 H new ATOM 0 HB3 LYS A 30 31.790 -27.232 -6.375 1.00 45.13 H new ATOM 0 HG2 LYS A 30 30.687 -29.468 -7.095 1.00 44.50 H new ATOM 0 HG3 LYS A 30 29.963 -28.547 -8.398 1.00 44.50 H new ATOM 0 HD2 LYS A 30 32.244 -27.794 -9.108 1.00 73.15 H new ATOM 0 HD3 LYS A 30 32.948 -28.765 -7.830 1.00 73.15 H new ATOM 0 HE2 LYS A 30 31.801 -30.794 -8.854 1.00 2.35 H new ATOM 0 HE3 LYS A 30 31.324 -29.776 -10.198 1.00 2.35 H new ATOM 0 HZ1 LYS A 30 33.353 -30.978 -10.686 1.00 44.21 H new ATOM 0 HZ2 LYS A 30 33.664 -29.309 -10.639 1.00 44.21 H new ATOM 0 HZ3 LYS A 30 34.126 -30.296 -9.337 1.00 44.21 H new ATOM 456 N GLU A 31 29.993 -25.100 -4.920 1.00 2.11 N ATOM 457 CA GLU A 31 30.317 -24.067 -3.943 1.00 54.52 C ATOM 458 C GLU A 31 29.508 -24.256 -2.663 1.00 1.11 C ATOM 459 O GLU A 31 29.978 -23.947 -1.567 1.00 20.31 O ATOM 460 CB GLU A 31 30.048 -22.678 -4.528 1.00 61.54 C ATOM 461 CG GLU A 31 31.181 -22.153 -5.393 1.00 44.03 C ATOM 462 CD GLU A 31 30.696 -21.228 -6.492 1.00 72.04 C ATOM 463 OE1 GLU A 31 29.489 -20.906 -6.506 1.00 22.11 O ATOM 464 OE2 GLU A 31 31.522 -20.827 -7.339 1.00 15.43 O ATOM 0 H GLU A 31 29.674 -24.744 -5.821 1.00 2.11 H new ATOM 0 HA GLU A 31 31.376 -24.153 -3.700 1.00 54.52 H new ATOM 0 HB2 GLU A 31 29.135 -22.714 -5.122 1.00 61.54 H new ATOM 0 HB3 GLU A 31 29.870 -21.977 -3.712 1.00 61.54 H new ATOM 0 HG2 GLU A 31 31.896 -21.621 -4.765 1.00 44.03 H new ATOM 0 HG3 GLU A 31 31.712 -22.994 -5.839 1.00 44.03 H new ATOM 471 N LEU A 32 28.290 -24.764 -2.810 1.00 33.44 N ATOM 472 CA LEU A 32 27.414 -24.995 -1.666 1.00 21.12 C ATOM 473 C LEU A 32 27.888 -26.194 -0.850 1.00 50.23 C ATOM 474 O LEU A 32 27.910 -26.151 0.379 1.00 21.50 O ATOM 475 CB LEU A 32 25.976 -25.220 -2.137 1.00 22.54 C ATOM 476 CG LEU A 32 24.880 -24.923 -1.113 1.00 2.24 C ATOM 477 CD1 LEU A 32 24.968 -25.888 0.059 1.00 31.40 C ATOM 478 CD2 LEU A 32 24.979 -23.484 -0.629 1.00 3.45 C ATOM 0 H LEU A 32 27.886 -25.024 -3.710 1.00 33.44 H new ATOM 0 HA LEU A 32 27.447 -24.110 -1.030 1.00 21.12 H new ATOM 0 HB2 LEU A 32 25.802 -24.600 -3.016 1.00 22.54 H new ATOM 0 HB3 LEU A 32 25.877 -26.258 -2.455 1.00 22.54 H new ATOM 0 HG LEU A 32 23.912 -25.058 -1.596 1.00 2.24 H new ATOM 0 HD11 LEU A 32 24.180 -25.661 0.777 1.00 31.40 H new ATOM 0 HD12 LEU A 32 24.847 -26.910 -0.301 1.00 31.40 H new ATOM 0 HD13 LEU A 32 25.940 -25.786 0.542 1.00 31.40 H new ATOM 0 HD21 LEU A 32 24.191 -23.290 0.099 1.00 3.45 H new ATOM 0 HD22 LEU A 32 25.951 -23.323 -0.163 1.00 3.45 H new ATOM 0 HD23 LEU A 32 24.865 -22.807 -1.475 1.00 3.45 H new ATOM 490 N GLY A 33 28.269 -27.262 -1.544 1.00 73.22 N ATOM 491 CA GLY A 33 28.739 -28.457 -0.868 1.00 3.10 C ATOM 492 C GLY A 33 30.088 -28.255 -0.206 1.00 33.14 C ATOM 493 O GLY A 33 30.406 -28.912 0.786 1.00 11.14 O ATOM 0 H GLY A 33 28.261 -27.321 -2.562 1.00 73.22 H new ATOM 0 HA2 GLY A 33 28.009 -28.756 -0.115 1.00 3.10 H new ATOM 0 HA3 GLY A 33 28.809 -29.274 -1.586 1.00 3.10 H new ATOM 497 N THR A 34 30.885 -27.345 -0.756 1.00 3.44 N ATOM 498 CA THR A 34 32.208 -27.060 -0.214 1.00 20.10 C ATOM 499 C THR A 34 32.113 -26.465 1.186 1.00 35.23 C ATOM 500 O THR A 34 32.641 -27.025 2.147 1.00 32.00 O ATOM 501 CB THR A 34 32.989 -26.089 -1.120 1.00 21.43 C ATOM 502 OG1 THR A 34 33.048 -26.605 -2.454 1.00 42.13 O ATOM 503 CG2 THR A 34 34.399 -25.872 -0.592 1.00 21.45 C ATOM 0 H THR A 34 30.638 -26.792 -1.577 1.00 3.44 H new ATOM 0 HA THR A 34 32.741 -28.010 -0.166 1.00 20.10 H new ATOM 0 HB THR A 34 32.468 -25.131 -1.124 1.00 21.43 H new ATOM 0 HG1 THR A 34 32.146 -26.625 -2.837 1.00 42.13 H new ATOM 0 HG21 THR A 34 34.931 -25.183 -1.248 1.00 21.45 H new ATOM 0 HG22 THR A 34 34.351 -25.452 0.413 1.00 21.45 H new ATOM 0 HG23 THR A 34 34.927 -26.825 -0.562 1.00 21.45 H new ATOM 511 N VAL A 35 31.435 -25.327 1.296 1.00 53.13 N ATOM 512 CA VAL A 35 31.268 -24.657 2.580 1.00 43.32 C ATOM 513 C VAL A 35 30.603 -25.576 3.598 1.00 64.43 C ATOM 514 O VAL A 35 31.091 -25.736 4.716 1.00 21.51 O ATOM 515 CB VAL A 35 30.429 -23.373 2.438 1.00 35.23 C ATOM 516 CG1 VAL A 35 30.235 -22.709 3.793 1.00 21.42 C ATOM 517 CG2 VAL A 35 31.082 -22.415 1.454 1.00 4.14 C ATOM 0 H VAL A 35 30.992 -24.850 0.511 1.00 53.13 H new ATOM 0 HA VAL A 35 32.266 -24.393 2.931 1.00 43.32 H new ATOM 0 HB VAL A 35 29.447 -23.643 2.049 1.00 35.23 H new ATOM 0 HG11 VAL A 35 29.640 -21.804 3.673 1.00 21.42 H new ATOM 0 HG12 VAL A 35 29.719 -23.396 4.464 1.00 21.42 H new ATOM 0 HG13 VAL A 35 31.207 -22.451 4.214 1.00 21.42 H new ATOM 0 HG21 VAL A 35 30.475 -21.514 1.367 1.00 4.14 H new ATOM 0 HG22 VAL A 35 32.077 -22.149 1.811 1.00 4.14 H new ATOM 0 HG23 VAL A 35 31.162 -22.894 0.478 1.00 4.14 H new ATOM 527 N MET A 36 29.487 -26.179 3.202 1.00 60.12 N ATOM 528 CA MET A 36 28.756 -27.085 4.080 1.00 75.11 C ATOM 529 C MET A 36 29.664 -28.198 4.591 1.00 23.42 C ATOM 530 O MET A 36 29.475 -28.708 5.696 1.00 62.54 O ATOM 531 CB MET A 36 27.557 -27.687 3.343 1.00 3.22 C ATOM 532 CG MET A 36 26.869 -28.802 4.112 1.00 33.54 C ATOM 533 SD MET A 36 25.213 -29.155 3.491 1.00 22.42 S ATOM 534 CE MET A 36 24.241 -28.950 4.981 1.00 3.55 C ATOM 0 H MET A 36 29.069 -26.057 2.279 1.00 60.12 H new ATOM 0 HA MET A 36 28.398 -26.512 4.935 1.00 75.11 H new ATOM 0 HB2 MET A 36 26.833 -26.898 3.138 1.00 3.22 H new ATOM 0 HB3 MET A 36 27.890 -28.073 2.379 1.00 3.22 H new ATOM 0 HG2 MET A 36 27.475 -29.706 4.054 1.00 33.54 H new ATOM 0 HG3 MET A 36 26.807 -28.527 5.165 1.00 33.54 H new ATOM 0 HE1 MET A 36 23.349 -28.366 4.756 1.00 3.55 H new ATOM 0 HE2 MET A 36 23.948 -29.928 5.361 1.00 3.55 H new ATOM 0 HE3 MET A 36 24.834 -28.431 5.734 1.00 3.55 H new ATOM 544 N ARG A 37 30.650 -28.570 3.781 1.00 20.52 N ATOM 545 CA ARG A 37 31.587 -29.624 4.152 1.00 73.53 C ATOM 546 C ARG A 37 32.341 -29.258 5.427 1.00 50.05 C ATOM 547 O ARG A 37 32.406 -30.046 6.370 1.00 73.22 O ATOM 548 CB ARG A 37 32.578 -29.878 3.015 1.00 42.13 C ATOM 549 CG ARG A 37 33.352 -31.178 3.159 1.00 34.35 C ATOM 550 CD ARG A 37 34.533 -31.234 2.203 1.00 55.40 C ATOM 551 NE ARG A 37 34.148 -30.885 0.838 1.00 41.50 N ATOM 552 CZ ARG A 37 35.017 -30.527 -0.102 1.00 35.44 C ATOM 553 NH1 ARG A 37 36.312 -30.473 0.175 1.00 41.03 N ATOM 554 NH2 ARG A 37 34.589 -30.224 -1.321 1.00 25.32 N ATOM 0 H ARG A 37 30.821 -28.157 2.864 1.00 20.52 H new ATOM 0 HA ARG A 37 31.016 -30.534 4.337 1.00 73.53 H new ATOM 0 HB2 ARG A 37 32.037 -29.890 2.069 1.00 42.13 H new ATOM 0 HB3 ARG A 37 33.284 -29.049 2.968 1.00 42.13 H new ATOM 0 HG2 ARG A 37 33.708 -31.279 4.184 1.00 34.35 H new ATOM 0 HG3 ARG A 37 32.688 -32.021 2.968 1.00 34.35 H new ATOM 0 HD2 ARG A 37 35.310 -30.551 2.546 1.00 55.40 H new ATOM 0 HD3 ARG A 37 34.961 -32.236 2.214 1.00 55.40 H new ATOM 0 HE ARG A 37 33.158 -30.918 0.593 1.00 41.50 H new ATOM 0 HH11 ARG A 37 36.643 -30.706 1.111 1.00 41.03 H new ATOM 0 HH12 ARG A 37 36.977 -30.198 -0.548 1.00 41.03 H new ATOM 0 HH21 ARG A 37 33.593 -30.266 -1.537 1.00 25.32 H new ATOM 0 HH22 ARG A 37 35.256 -29.949 -2.042 1.00 25.32 H new ATOM 568 N SER A 38 32.910 -28.057 5.447 1.00 63.04 N ATOM 569 CA SER A 38 33.664 -27.588 6.603 1.00 11.44 C ATOM 570 C SER A 38 32.773 -27.516 7.840 1.00 52.03 C ATOM 571 O SER A 38 33.250 -27.617 8.971 1.00 45.34 O ATOM 572 CB SER A 38 34.272 -26.213 6.319 1.00 40.13 C ATOM 573 OG SER A 38 34.450 -25.476 7.516 1.00 32.11 O ATOM 0 H SER A 38 32.863 -27.391 4.676 1.00 63.04 H new ATOM 0 HA SER A 38 34.467 -28.300 6.795 1.00 11.44 H new ATOM 0 HB2 SER A 38 35.232 -26.333 5.816 1.00 40.13 H new ATOM 0 HB3 SER A 38 33.624 -25.659 5.640 1.00 40.13 H new ATOM 0 HG SER A 38 35.304 -25.723 7.928 1.00 32.11 H new ATOM 579 N LEU A 39 31.475 -27.341 7.616 1.00 20.12 N ATOM 580 CA LEU A 39 30.515 -27.256 8.711 1.00 12.21 C ATOM 581 C LEU A 39 30.276 -28.628 9.334 1.00 54.52 C ATOM 582 O LEU A 39 29.817 -28.733 10.470 1.00 33.23 O ATOM 583 CB LEU A 39 29.192 -26.672 8.211 1.00 20.33 C ATOM 584 CG LEU A 39 29.241 -25.227 7.714 1.00 22.11 C ATOM 585 CD1 LEU A 39 27.845 -24.734 7.368 1.00 71.15 C ATOM 586 CD2 LEU A 39 29.883 -24.325 8.758 1.00 23.53 C ATOM 0 H LEU A 39 31.064 -27.255 6.687 1.00 20.12 H new ATOM 0 HA LEU A 39 30.930 -26.598 9.475 1.00 12.21 H new ATOM 0 HB2 LEU A 39 28.823 -27.301 7.401 1.00 20.33 H new ATOM 0 HB3 LEU A 39 28.463 -26.733 9.019 1.00 20.33 H new ATOM 0 HG LEU A 39 29.850 -25.195 6.811 1.00 22.11 H new ATOM 0 HD11 LEU A 39 27.900 -23.704 7.016 1.00 71.15 H new ATOM 0 HD12 LEU A 39 27.421 -25.363 6.585 1.00 71.15 H new ATOM 0 HD13 LEU A 39 27.212 -24.782 8.254 1.00 71.15 H new ATOM 0 HD21 LEU A 39 29.909 -23.300 8.387 1.00 23.53 H new ATOM 0 HD22 LEU A 39 29.301 -24.363 9.679 1.00 23.53 H new ATOM 0 HD23 LEU A 39 30.899 -24.665 8.957 1.00 23.53 H new ATOM 598 N GLY A 40 30.592 -29.677 8.581 1.00 3.02 N ATOM 599 CA GLY A 40 30.407 -31.028 9.077 1.00 72.32 C ATOM 600 C GLY A 40 29.158 -31.684 8.520 1.00 4.32 C ATOM 601 O GLY A 40 28.551 -32.530 9.175 1.00 75.23 O ATOM 0 H GLY A 40 30.973 -29.615 7.637 1.00 3.02 H new ATOM 0 HA2 GLY A 40 31.277 -31.630 8.816 1.00 72.32 H new ATOM 0 HA3 GLY A 40 30.349 -31.008 10.165 1.00 72.32 H new ATOM 605 N GLN A 41 28.775 -31.290 7.310 1.00 71.51 N ATOM 606 CA GLN A 41 27.589 -31.844 6.667 1.00 21.53 C ATOM 607 C GLN A 41 27.918 -32.361 5.271 1.00 71.05 C ATOM 608 O GLN A 41 28.591 -31.687 4.492 1.00 62.41 O ATOM 609 CB GLN A 41 26.486 -30.788 6.587 1.00 42.44 C ATOM 610 CG GLN A 41 25.437 -30.918 7.679 1.00 61.40 C ATOM 611 CD GLN A 41 24.527 -32.113 7.474 1.00 73.12 C ATOM 612 OE1 GLN A 41 24.134 -32.423 6.349 1.00 52.23 O ATOM 613 NE2 GLN A 41 24.186 -32.792 8.563 1.00 62.21 N ATOM 0 H GLN A 41 29.268 -30.590 6.755 1.00 71.51 H new ATOM 0 HA GLN A 41 27.237 -32.681 7.270 1.00 21.53 H new ATOM 0 HB2 GLN A 41 26.938 -29.798 6.645 1.00 42.44 H new ATOM 0 HB3 GLN A 41 25.997 -30.859 5.615 1.00 42.44 H new ATOM 0 HG2 GLN A 41 25.933 -31.005 8.646 1.00 61.40 H new ATOM 0 HG3 GLN A 41 24.836 -30.009 7.710 1.00 61.40 H new ATOM 0 HE21 GLN A 41 24.535 -32.500 9.476 1.00 62.21 H new ATOM 0 HE22 GLN A 41 23.575 -33.605 8.486 1.00 62.21 H new ATOM 622 N ASN A 42 27.438 -33.561 4.961 1.00 62.23 N ATOM 623 CA ASN A 42 27.682 -34.169 3.657 1.00 2.35 C ATOM 624 C ASN A 42 26.404 -34.202 2.825 1.00 62.11 C ATOM 625 O ASN A 42 25.666 -35.187 2.815 1.00 34.14 O ATOM 626 CB ASN A 42 28.231 -35.587 3.827 1.00 12.14 C ATOM 627 CG ASN A 42 28.913 -36.097 2.573 1.00 70.13 C ATOM 628 OD1 ASN A 42 28.254 -36.532 1.628 1.00 44.53 O ATOM 629 ND2 ASN A 42 30.240 -36.047 2.559 1.00 51.42 N ATOM 0 H ASN A 42 26.878 -34.132 5.594 1.00 62.23 H new ATOM 0 HA ASN A 42 28.420 -33.562 3.133 1.00 2.35 H new ATOM 0 HB2 ASN A 42 28.940 -35.602 4.655 1.00 12.14 H new ATOM 0 HB3 ASN A 42 27.416 -36.260 4.093 1.00 12.14 H new ATOM 0 HD21 ASN A 42 30.754 -36.377 1.742 1.00 51.42 H new ATOM 0 HD22 ASN A 42 30.745 -35.678 3.365 1.00 51.42 H new ATOM 636 N PRO A 43 26.136 -33.101 2.108 1.00 1.30 N ATOM 637 CA PRO A 43 24.948 -32.979 1.258 1.00 60.21 C ATOM 638 C PRO A 43 25.020 -33.880 0.030 1.00 75.03 C ATOM 639 O PRO A 43 26.073 -34.434 -0.287 1.00 51.11 O ATOM 640 CB PRO A 43 24.959 -31.506 0.842 1.00 34.10 C ATOM 641 CG PRO A 43 26.388 -31.096 0.936 1.00 72.34 C ATOM 642 CD PRO A 43 26.972 -31.889 2.072 1.00 64.23 C ATOM 0 HA PRO A 43 24.040 -33.282 1.780 1.00 60.21 H new ATOM 0 HB2 PRO A 43 24.576 -31.378 -0.171 1.00 34.10 H new ATOM 0 HB3 PRO A 43 24.331 -30.905 1.499 1.00 34.10 H new ATOM 0 HG2 PRO A 43 26.915 -31.302 0.005 1.00 72.34 H new ATOM 0 HG3 PRO A 43 26.476 -30.026 1.122 1.00 72.34 H new ATOM 0 HD2 PRO A 43 28.021 -32.129 1.897 1.00 64.23 H new ATOM 0 HD3 PRO A 43 26.924 -31.340 3.012 1.00 64.23 H new ATOM 650 N THR A 44 23.892 -34.023 -0.660 1.00 41.14 N ATOM 651 CA THR A 44 23.827 -34.857 -1.854 1.00 31.04 C ATOM 652 C THR A 44 23.615 -34.012 -3.104 1.00 54.24 C ATOM 653 O THR A 44 23.103 -32.895 -3.030 1.00 34.41 O ATOM 654 CB THR A 44 22.694 -35.896 -1.752 1.00 2.04 C ATOM 655 OG1 THR A 44 21.425 -35.255 -1.917 1.00 53.50 O ATOM 656 CG2 THR A 44 22.736 -36.611 -0.410 1.00 35.52 C ATOM 0 H THR A 44 23.011 -33.572 -0.412 1.00 41.14 H new ATOM 0 HA THR A 44 24.782 -35.377 -1.929 1.00 31.04 H new ATOM 0 HB THR A 44 22.834 -36.633 -2.543 1.00 2.04 H new ATOM 0 HG1 THR A 44 20.710 -35.923 -1.853 1.00 53.50 H new ATOM 0 HG21 THR A 44 21.927 -37.340 -0.361 1.00 35.52 H new ATOM 0 HG22 THR A 44 23.692 -37.122 -0.300 1.00 35.52 H new ATOM 0 HG23 THR A 44 22.619 -35.884 0.394 1.00 35.52 H new ATOM 664 N GLU A 45 24.011 -34.552 -4.253 1.00 32.25 N ATOM 665 CA GLU A 45 23.863 -33.846 -5.520 1.00 1.24 C ATOM 666 C GLU A 45 22.429 -33.359 -5.707 1.00 60.23 C ATOM 667 O GLU A 45 22.197 -32.247 -6.180 1.00 74.23 O ATOM 668 CB GLU A 45 24.262 -34.754 -6.685 1.00 12.02 C ATOM 669 CG GLU A 45 24.596 -33.997 -7.960 1.00 34.55 C ATOM 670 CD GLU A 45 25.845 -33.149 -7.824 1.00 51.11 C ATOM 671 OE1 GLU A 45 26.911 -33.712 -7.498 1.00 42.24 O ATOM 672 OE2 GLU A 45 25.757 -31.923 -8.043 1.00 53.23 O ATOM 0 H GLU A 45 24.436 -35.476 -4.332 1.00 32.25 H new ATOM 0 HA GLU A 45 24.523 -32.979 -5.503 1.00 1.24 H new ATOM 0 HB2 GLU A 45 25.125 -35.351 -6.390 1.00 12.02 H new ATOM 0 HB3 GLU A 45 23.448 -35.449 -6.888 1.00 12.02 H new ATOM 0 HG2 GLU A 45 24.731 -34.708 -8.775 1.00 34.55 H new ATOM 0 HG3 GLU A 45 23.755 -33.358 -8.230 1.00 34.55 H new ATOM 679 N ALA A 46 21.471 -34.201 -5.334 1.00 21.25 N ATOM 680 CA ALA A 46 20.060 -33.857 -5.459 1.00 22.31 C ATOM 681 C ALA A 46 19.650 -32.831 -4.409 1.00 11.34 C ATOM 682 O ALA A 46 18.875 -31.917 -4.691 1.00 22.24 O ATOM 683 CB ALA A 46 19.200 -35.107 -5.342 1.00 40.04 C ATOM 0 H ALA A 46 21.646 -35.126 -4.943 1.00 21.25 H new ATOM 0 HA ALA A 46 19.905 -33.413 -6.442 1.00 22.31 H new ATOM 0 HB1 ALA A 46 18.149 -34.836 -5.437 1.00 40.04 H new ATOM 0 HB2 ALA A 46 19.467 -35.808 -6.133 1.00 40.04 H new ATOM 0 HB3 ALA A 46 19.368 -35.574 -4.372 1.00 40.04 H new ATOM 689 N GLU A 47 20.174 -32.988 -3.197 1.00 62.22 N ATOM 690 CA GLU A 47 19.860 -32.075 -2.105 1.00 10.41 C ATOM 691 C GLU A 47 20.285 -30.650 -2.448 1.00 54.33 C ATOM 692 O GLU A 47 19.489 -29.714 -2.358 1.00 11.31 O ATOM 693 CB GLU A 47 20.550 -32.528 -0.817 1.00 4.12 C ATOM 694 CG GLU A 47 20.028 -31.834 0.430 1.00 22.32 C ATOM 695 CD GLU A 47 20.951 -32.003 1.621 1.00 3.23 C ATOM 696 OE1 GLU A 47 21.515 -33.106 1.783 1.00 51.41 O ATOM 697 OE2 GLU A 47 21.110 -31.033 2.392 1.00 71.04 O ATOM 0 H GLU A 47 20.818 -33.739 -2.947 1.00 62.22 H new ATOM 0 HA GLU A 47 18.781 -32.088 -1.954 1.00 10.41 H new ATOM 0 HB2 GLU A 47 20.420 -33.604 -0.705 1.00 4.12 H new ATOM 0 HB3 GLU A 47 21.621 -32.343 -0.904 1.00 4.12 H new ATOM 0 HG2 GLU A 47 19.899 -30.772 0.223 1.00 22.32 H new ATOM 0 HG3 GLU A 47 19.044 -32.232 0.678 1.00 22.32 H new ATOM 704 N LEU A 48 21.544 -30.493 -2.842 1.00 14.42 N ATOM 705 CA LEU A 48 22.076 -29.182 -3.198 1.00 52.05 C ATOM 706 C LEU A 48 21.226 -28.526 -4.282 1.00 65.05 C ATOM 707 O LEU A 48 20.845 -27.362 -4.165 1.00 34.12 O ATOM 708 CB LEU A 48 23.523 -29.310 -3.677 1.00 22.34 C ATOM 709 CG LEU A 48 24.500 -29.958 -2.694 1.00 74.22 C ATOM 710 CD1 LEU A 48 25.740 -30.452 -3.422 1.00 70.41 C ATOM 711 CD2 LEU A 48 24.880 -28.977 -1.595 1.00 35.13 C ATOM 0 H LEU A 48 22.215 -31.257 -2.923 1.00 14.42 H new ATOM 0 HA LEU A 48 22.048 -28.552 -2.309 1.00 52.05 H new ATOM 0 HB2 LEU A 48 23.529 -29.890 -4.600 1.00 22.34 H new ATOM 0 HB3 LEU A 48 23.893 -28.315 -3.923 1.00 22.34 H new ATOM 0 HG LEU A 48 24.008 -30.815 -2.234 1.00 74.22 H new ATOM 0 HD11 LEU A 48 26.424 -30.910 -2.707 1.00 70.41 H new ATOM 0 HD12 LEU A 48 25.452 -31.189 -4.172 1.00 70.41 H new ATOM 0 HD13 LEU A 48 26.234 -29.612 -3.910 1.00 70.41 H new ATOM 0 HD21 LEU A 48 25.575 -29.455 -0.905 1.00 35.13 H new ATOM 0 HD22 LEU A 48 25.353 -28.100 -2.037 1.00 35.13 H new ATOM 0 HD23 LEU A 48 23.984 -28.672 -1.054 1.00 35.13 H new ATOM 723 N GLN A 49 20.933 -29.282 -5.336 1.00 5.23 N ATOM 724 CA GLN A 49 20.128 -28.774 -6.440 1.00 12.44 C ATOM 725 C GLN A 49 18.794 -28.231 -5.936 1.00 24.22 C ATOM 726 O GLN A 49 18.331 -27.182 -6.383 1.00 2.32 O ATOM 727 CB GLN A 49 19.886 -29.876 -7.472 1.00 40.02 C ATOM 728 CG GLN A 49 20.126 -29.430 -8.906 1.00 21.34 C ATOM 729 CD GLN A 49 18.965 -28.638 -9.473 1.00 11.45 C ATOM 730 OE1 GLN A 49 19.147 -27.329 -9.600 1.00 11.43 O flip ATOM 731 NE2 GLN A 49 17.915 -29.196 -9.793 1.00 4.53 N flip ATOM 0 H GLN A 49 21.241 -30.248 -5.448 1.00 5.23 H new ATOM 0 HA GLN A 49 20.677 -27.959 -6.912 1.00 12.44 H new ATOM 0 HB2 GLN A 49 20.538 -30.721 -7.249 1.00 40.02 H new ATOM 0 HB3 GLN A 49 18.860 -30.232 -7.378 1.00 40.02 H new ATOM 0 HG2 GLN A 49 21.030 -28.822 -8.947 1.00 21.34 H new ATOM 0 HG3 GLN A 49 20.302 -30.306 -9.530 1.00 21.34 H new ATOM 0 HE21 GLN A 49 17.818 -30.205 -9.678 1.00 4.53 H new ATOM 0 HE22 GLN A 49 17.142 -28.649 -10.173 1.00 4.53 H new ATOM 740 N ASP A 50 18.182 -28.953 -5.004 1.00 2.14 N ATOM 741 CA ASP A 50 16.902 -28.544 -4.438 1.00 52.31 C ATOM 742 C ASP A 50 17.004 -27.158 -3.808 1.00 72.04 C ATOM 743 O ASP A 50 16.119 -26.321 -3.981 1.00 13.42 O ATOM 744 CB ASP A 50 16.433 -29.559 -3.394 1.00 44.32 C ATOM 745 CG ASP A 50 14.986 -29.352 -2.994 1.00 11.50 C ATOM 746 OD1 ASP A 50 14.391 -28.342 -3.424 1.00 54.21 O ATOM 747 OD2 ASP A 50 14.449 -30.199 -2.250 1.00 15.31 O ATOM 0 H ASP A 50 18.552 -29.825 -4.624 1.00 2.14 H new ATOM 0 HA ASP A 50 16.172 -28.503 -5.247 1.00 52.31 H new ATOM 0 HB2 ASP A 50 16.557 -30.567 -3.790 1.00 44.32 H new ATOM 0 HB3 ASP A 50 17.066 -29.485 -2.509 1.00 44.32 H new ATOM 752 N MET A 51 18.089 -26.924 -3.077 1.00 72.33 N ATOM 753 CA MET A 51 18.306 -25.640 -2.422 1.00 41.20 C ATOM 754 C MET A 51 18.428 -24.519 -3.450 1.00 23.14 C ATOM 755 O MET A 51 17.697 -23.530 -3.393 1.00 34.31 O ATOM 756 CB MET A 51 19.565 -25.692 -1.555 1.00 25.11 C ATOM 757 CG MET A 51 19.678 -26.959 -0.722 1.00 51.05 C ATOM 758 SD MET A 51 20.722 -26.744 0.732 1.00 71.11 S ATOM 759 CE MET A 51 19.485 -26.638 2.023 1.00 5.34 C ATOM 0 H MET A 51 18.831 -27.607 -2.924 1.00 72.33 H new ATOM 0 HA MET A 51 17.445 -25.434 -1.787 1.00 41.20 H new ATOM 0 HB2 MET A 51 20.442 -25.610 -2.197 1.00 25.11 H new ATOM 0 HB3 MET A 51 19.574 -24.828 -0.890 1.00 25.11 H new ATOM 0 HG2 MET A 51 18.683 -27.272 -0.407 1.00 51.05 H new ATOM 0 HG3 MET A 51 20.083 -27.760 -1.340 1.00 51.05 H new ATOM 0 HE1 MET A 51 19.977 -26.575 2.994 1.00 5.34 H new ATOM 0 HE2 MET A 51 18.872 -25.750 1.868 1.00 5.34 H new ATOM 0 HE3 MET A 51 18.852 -27.525 1.994 1.00 5.34 H new ATOM 769 N ILE A 52 19.357 -24.680 -4.386 1.00 74.15 N ATOM 770 CA ILE A 52 19.573 -23.682 -5.426 1.00 50.13 C ATOM 771 C ILE A 52 18.273 -23.354 -6.152 1.00 52.34 C ATOM 772 O ILE A 52 17.883 -22.191 -6.253 1.00 70.34 O ATOM 773 CB ILE A 52 20.616 -24.157 -6.455 1.00 23.23 C ATOM 774 CG1 ILE A 52 21.947 -24.459 -5.762 1.00 33.02 C ATOM 775 CG2 ILE A 52 20.805 -23.109 -7.541 1.00 75.23 C ATOM 776 CD1 ILE A 52 23.016 -24.970 -6.702 1.00 54.45 C ATOM 0 H ILE A 52 19.972 -25.492 -4.446 1.00 74.15 H new ATOM 0 HA ILE A 52 19.946 -22.786 -4.930 1.00 50.13 H new ATOM 0 HB ILE A 52 20.253 -25.073 -6.921 1.00 23.23 H new ATOM 0 HG12 ILE A 52 22.307 -23.553 -5.274 1.00 33.02 H new ATOM 0 HG13 ILE A 52 21.780 -25.198 -4.979 1.00 33.02 H new ATOM 0 HG21 ILE A 52 21.545 -23.460 -8.260 1.00 75.23 H new ATOM 0 HG22 ILE A 52 19.857 -22.938 -8.050 1.00 75.23 H new ATOM 0 HG23 ILE A 52 21.149 -22.177 -7.092 1.00 75.23 H new ATOM 0 HD11 ILE A 52 23.931 -25.163 -6.142 1.00 54.45 H new ATOM 0 HD12 ILE A 52 22.677 -25.893 -7.171 1.00 54.45 H new ATOM 0 HD13 ILE A 52 23.212 -24.223 -7.471 1.00 54.45 H new ATOM 788 N ASN A 53 17.605 -24.387 -6.655 1.00 61.11 N ATOM 789 CA ASN A 53 16.347 -24.209 -7.371 1.00 41.01 C ATOM 790 C ASN A 53 15.287 -23.593 -6.463 1.00 71.22 C ATOM 791 O ASN A 53 14.485 -22.768 -6.900 1.00 65.01 O ATOM 792 CB ASN A 53 15.852 -25.550 -7.916 1.00 32.34 C ATOM 793 CG ASN A 53 16.161 -25.725 -9.390 1.00 35.40 C ATOM 794 OD1 ASN A 53 16.281 -26.974 -9.825 1.00 22.02 O flip ATOM 795 ND2 ASN A 53 16.289 -24.749 -10.129 1.00 34.31 N flip ATOM 0 H ASN A 53 17.914 -25.356 -6.580 1.00 61.11 H new ATOM 0 HA ASN A 53 16.525 -23.530 -8.205 1.00 41.01 H new ATOM 0 HB2 ASN A 53 16.313 -26.361 -7.352 1.00 32.34 H new ATOM 0 HB3 ASN A 53 14.776 -25.627 -7.762 1.00 32.34 H new ATOM 0 HD21 ASN A 53 16.188 -23.807 -9.752 1.00 34.31 H new ATOM 0 HD22 ASN A 53 16.496 -24.882 -11.119 1.00 34.31 H new ATOM 802 N GLU A 54 15.290 -24.001 -5.198 1.00 1.53 N ATOM 803 CA GLU A 54 14.328 -23.488 -4.229 1.00 23.53 C ATOM 804 C GLU A 54 14.459 -21.975 -4.080 1.00 21.44 C ATOM 805 O GLU A 54 13.474 -21.276 -3.844 1.00 32.02 O ATOM 806 CB GLU A 54 14.529 -24.165 -2.871 1.00 43.00 C ATOM 807 CG GLU A 54 13.692 -25.419 -2.686 1.00 72.31 C ATOM 808 CD GLU A 54 12.252 -25.111 -2.323 1.00 60.35 C ATOM 809 OE1 GLU A 54 11.898 -23.915 -2.267 1.00 2.25 O ATOM 810 OE2 GLU A 54 11.480 -26.066 -2.097 1.00 14.45 O ATOM 0 H GLU A 54 15.947 -24.684 -4.820 1.00 1.53 H new ATOM 0 HA GLU A 54 13.326 -23.714 -4.595 1.00 23.53 H new ATOM 0 HB2 GLU A 54 15.582 -24.421 -2.754 1.00 43.00 H new ATOM 0 HB3 GLU A 54 14.284 -23.455 -2.081 1.00 43.00 H new ATOM 0 HG2 GLU A 54 13.714 -26.005 -3.605 1.00 72.31 H new ATOM 0 HG3 GLU A 54 14.136 -26.036 -1.904 1.00 72.31 H new ATOM 817 N VAL A 55 15.684 -21.477 -4.218 1.00 55.33 N ATOM 818 CA VAL A 55 15.945 -20.047 -4.100 1.00 34.22 C ATOM 819 C VAL A 55 16.308 -19.441 -5.451 1.00 32.03 C ATOM 820 O VAL A 55 16.909 -18.369 -5.520 1.00 41.01 O ATOM 821 CB VAL A 55 17.082 -19.765 -3.100 1.00 63.45 C ATOM 822 CG1 VAL A 55 16.725 -20.298 -1.721 1.00 5.40 C ATOM 823 CG2 VAL A 55 18.387 -20.372 -3.594 1.00 71.31 C ATOM 0 H VAL A 55 16.511 -22.042 -4.411 1.00 55.33 H new ATOM 0 HA VAL A 55 15.027 -19.587 -3.734 1.00 34.22 H new ATOM 0 HB VAL A 55 17.215 -18.686 -3.022 1.00 63.45 H new ATOM 0 HG11 VAL A 55 17.540 -20.090 -1.028 1.00 5.40 H new ATOM 0 HG12 VAL A 55 15.815 -19.813 -1.368 1.00 5.40 H new ATOM 0 HG13 VAL A 55 16.563 -21.374 -1.778 1.00 5.40 H new ATOM 0 HG21 VAL A 55 19.180 -20.164 -2.876 1.00 71.31 H new ATOM 0 HG22 VAL A 55 18.269 -21.450 -3.702 1.00 71.31 H new ATOM 0 HG23 VAL A 55 18.648 -19.938 -4.559 1.00 71.31 H new ATOM 833 N ASP A 56 15.938 -20.134 -6.522 1.00 44.12 N ATOM 834 CA ASP A 56 16.224 -19.663 -7.873 1.00 33.43 C ATOM 835 C ASP A 56 15.085 -18.794 -8.397 1.00 61.12 C ATOM 836 O ASP A 56 14.066 -19.303 -8.863 1.00 63.30 O ATOM 837 CB ASP A 56 16.451 -20.849 -8.812 1.00 34.34 C ATOM 838 CG ASP A 56 17.207 -20.458 -10.066 1.00 31.30 C ATOM 839 OD1 ASP A 56 17.527 -19.260 -10.217 1.00 22.41 O ATOM 840 OD2 ASP A 56 17.479 -21.350 -10.896 1.00 62.13 O ATOM 0 H ASP A 56 15.440 -21.023 -6.482 1.00 44.12 H new ATOM 0 HA ASP A 56 17.131 -19.060 -7.837 1.00 33.43 H new ATOM 0 HB2 ASP A 56 17.005 -21.625 -8.284 1.00 34.34 H new ATOM 0 HB3 ASP A 56 15.488 -21.278 -9.090 1.00 34.34 H new ATOM 845 N ALA A 57 15.266 -17.480 -8.317 1.00 15.12 N ATOM 846 CA ALA A 57 14.254 -16.540 -8.784 1.00 42.01 C ATOM 847 C ALA A 57 14.443 -16.221 -10.263 1.00 41.22 C ATOM 848 O ALA A 57 13.473 -16.116 -11.014 1.00 63.43 O ATOM 849 CB ALA A 57 14.298 -15.264 -7.957 1.00 55.40 C ATOM 0 H ALA A 57 16.104 -17.042 -7.933 1.00 15.12 H new ATOM 0 HA ALA A 57 13.276 -17.006 -8.662 1.00 42.01 H new ATOM 0 HB1 ALA A 57 13.537 -14.571 -8.316 1.00 55.40 H new ATOM 0 HB2 ALA A 57 14.107 -15.502 -6.911 1.00 55.40 H new ATOM 0 HB3 ALA A 57 15.282 -14.804 -8.051 1.00 55.40 H new ATOM 855 N ASP A 58 15.697 -16.066 -10.675 1.00 33.22 N ATOM 856 CA ASP A 58 16.013 -15.759 -12.065 1.00 13.11 C ATOM 857 C ASP A 58 16.126 -17.036 -12.891 1.00 71.05 C ATOM 858 O ASP A 58 16.386 -16.989 -14.093 1.00 2.11 O ATOM 859 CB ASP A 58 17.317 -14.964 -12.150 1.00 73.21 C ATOM 860 CG ASP A 58 18.539 -15.829 -11.912 1.00 74.42 C ATOM 861 OD1 ASP A 58 18.399 -16.890 -11.267 1.00 12.31 O ATOM 862 OD2 ASP A 58 19.635 -15.447 -12.372 1.00 14.21 O ATOM 0 H ASP A 58 16.511 -16.148 -10.066 1.00 33.22 H new ATOM 0 HA ASP A 58 15.202 -15.155 -12.472 1.00 13.11 H new ATOM 0 HB2 ASP A 58 17.391 -14.498 -13.132 1.00 73.21 H new ATOM 0 HB3 ASP A 58 17.297 -14.159 -11.416 1.00 73.21 H new ATOM 867 N GLY A 59 15.929 -18.177 -12.238 1.00 64.42 N ATOM 868 CA GLY A 59 16.015 -19.451 -12.928 1.00 71.21 C ATOM 869 C GLY A 59 17.311 -19.607 -13.699 1.00 31.43 C ATOM 870 O GLY A 59 17.298 -19.836 -14.907 1.00 43.44 O ATOM 0 H GLY A 59 15.711 -18.242 -11.244 1.00 64.42 H new ATOM 0 HA2 GLY A 59 15.928 -20.260 -12.203 1.00 71.21 H new ATOM 0 HA3 GLY A 59 15.174 -19.546 -13.615 1.00 71.21 H new ATOM 874 N ASN A 60 18.433 -19.482 -12.998 1.00 21.54 N ATOM 875 CA ASN A 60 19.744 -19.609 -13.624 1.00 71.12 C ATOM 876 C ASN A 60 20.484 -20.834 -13.095 1.00 1.54 C ATOM 877 O ASN A 60 21.464 -21.284 -13.687 1.00 12.02 O ATOM 878 CB ASN A 60 20.575 -18.349 -13.375 1.00 24.13 C ATOM 879 CG ASN A 60 20.839 -18.113 -11.900 1.00 52.11 C ATOM 880 OD1 ASN A 60 20.282 -18.797 -11.041 1.00 53.23 O ATOM 881 ND2 ASN A 60 21.692 -17.140 -11.600 1.00 34.20 N ATOM 0 H ASN A 60 18.461 -19.293 -11.996 1.00 21.54 H new ATOM 0 HA ASN A 60 19.596 -19.732 -14.697 1.00 71.12 H new ATOM 0 HB2 ASN A 60 21.525 -18.433 -13.902 1.00 24.13 H new ATOM 0 HB3 ASN A 60 20.055 -17.486 -13.791 1.00 24.13 H new ATOM 0 HD21 ASN A 60 21.909 -16.934 -10.625 1.00 34.20 H new ATOM 0 HD22 ASN A 60 22.130 -16.598 -12.345 1.00 34.20 H new ATOM 888 N GLY A 61 20.007 -21.368 -11.974 1.00 62.14 N ATOM 889 CA GLY A 61 20.635 -22.536 -11.384 1.00 0.43 C ATOM 890 C GLY A 61 21.697 -22.170 -10.366 1.00 64.21 C ATOM 891 O GLY A 61 22.542 -22.995 -10.015 1.00 44.43 O ATOM 0 H GLY A 61 19.198 -21.013 -11.465 1.00 62.14 H new ATOM 0 HA2 GLY A 61 19.873 -23.151 -10.905 1.00 0.43 H new ATOM 0 HA3 GLY A 61 21.084 -23.140 -12.172 1.00 0.43 H new ATOM 895 N THR A 62 21.657 -20.929 -9.890 1.00 64.45 N ATOM 896 CA THR A 62 22.625 -20.455 -8.910 1.00 24.35 C ATOM 897 C THR A 62 22.020 -19.380 -8.014 1.00 74.43 C ATOM 898 O THR A 62 20.994 -18.787 -8.348 1.00 75.24 O ATOM 899 CB THR A 62 23.885 -19.889 -9.592 1.00 22.24 C ATOM 900 OG1 THR A 62 23.513 -18.947 -10.604 1.00 11.04 O ATOM 901 CG2 THR A 62 24.713 -21.005 -10.211 1.00 22.24 C ATOM 0 H THR A 62 20.964 -20.234 -10.168 1.00 64.45 H new ATOM 0 HA THR A 62 22.905 -21.315 -8.302 1.00 24.35 H new ATOM 0 HB THR A 62 24.488 -19.389 -8.834 1.00 22.24 H new ATOM 0 HG1 THR A 62 24.320 -18.591 -11.032 1.00 11.04 H new ATOM 0 HG21 THR A 62 25.597 -20.581 -10.687 1.00 22.24 H new ATOM 0 HG22 THR A 62 25.019 -21.705 -9.434 1.00 22.24 H new ATOM 0 HG23 THR A 62 24.116 -21.530 -10.957 1.00 22.24 H new ATOM 909 N ILE A 63 22.661 -19.134 -6.877 1.00 34.01 N ATOM 910 CA ILE A 63 22.185 -18.129 -5.935 1.00 10.51 C ATOM 911 C ILE A 63 22.933 -16.812 -6.112 1.00 43.30 C ATOM 912 O ILE A 63 24.114 -16.707 -5.780 1.00 21.33 O ATOM 913 CB ILE A 63 22.342 -18.603 -4.478 1.00 74.11 C ATOM 914 CG1 ILE A 63 21.822 -20.034 -4.326 1.00 72.13 C ATOM 915 CG2 ILE A 63 21.607 -17.664 -3.533 1.00 41.22 C ATOM 916 CD1 ILE A 63 21.974 -20.587 -2.927 1.00 23.04 C ATOM 0 H ILE A 63 23.511 -19.617 -6.586 1.00 34.01 H new ATOM 0 HA ILE A 63 21.127 -17.975 -6.146 1.00 10.51 H new ATOM 0 HB ILE A 63 23.401 -18.591 -4.220 1.00 74.11 H new ATOM 0 HG12 ILE A 63 20.769 -20.061 -4.606 1.00 72.13 H new ATOM 0 HG13 ILE A 63 22.354 -20.681 -5.023 1.00 72.13 H new ATOM 0 HG21 ILE A 63 21.727 -18.012 -2.507 1.00 41.22 H new ATOM 0 HG22 ILE A 63 22.019 -16.659 -3.626 1.00 41.22 H new ATOM 0 HG23 ILE A 63 20.547 -17.647 -3.788 1.00 41.22 H new ATOM 0 HD11 ILE A 63 21.585 -21.605 -2.894 1.00 23.04 H new ATOM 0 HD12 ILE A 63 23.028 -20.593 -2.651 1.00 23.04 H new ATOM 0 HD13 ILE A 63 21.419 -19.963 -2.227 1.00 23.04 H new ATOM 928 N ASP A 64 22.238 -15.808 -6.636 1.00 31.41 N ATOM 929 CA ASP A 64 22.835 -14.496 -6.855 1.00 23.23 C ATOM 930 C ASP A 64 22.968 -13.733 -5.540 1.00 73.43 C ATOM 931 O ASP A 64 22.721 -14.281 -4.465 1.00 52.54 O ATOM 932 CB ASP A 64 21.995 -13.688 -7.845 1.00 61.42 C ATOM 933 CG ASP A 64 21.435 -14.546 -8.963 1.00 13.30 C ATOM 934 OD1 ASP A 64 22.114 -15.513 -9.366 1.00 41.41 O ATOM 935 OD2 ASP A 64 20.317 -14.249 -9.435 1.00 61.13 O ATOM 0 H ASP A 64 21.260 -15.878 -6.917 1.00 31.41 H new ATOM 0 HA ASP A 64 23.831 -14.643 -7.272 1.00 23.23 H new ATOM 0 HB2 ASP A 64 21.174 -13.208 -7.313 1.00 61.42 H new ATOM 0 HB3 ASP A 64 22.606 -12.893 -8.272 1.00 61.42 H new ATOM 940 N PHE A 65 23.360 -12.467 -5.634 1.00 31.11 N ATOM 941 CA PHE A 65 23.527 -11.629 -4.452 1.00 65.41 C ATOM 942 C PHE A 65 22.191 -11.404 -3.751 1.00 71.12 C ATOM 943 O PHE A 65 22.016 -11.726 -2.576 1.00 13.43 O ATOM 944 CB PHE A 65 24.147 -10.284 -4.838 1.00 32.51 C ATOM 945 CG PHE A 65 23.812 -9.174 -3.883 1.00 73.34 C ATOM 946 CD1 PHE A 65 24.082 -9.301 -2.530 1.00 41.14 C ATOM 947 CD2 PHE A 65 23.227 -8.004 -4.339 1.00 53.11 C ATOM 948 CE1 PHE A 65 23.774 -8.281 -1.650 1.00 31.21 C ATOM 949 CE2 PHE A 65 22.917 -6.980 -3.463 1.00 74.54 C ATOM 950 CZ PHE A 65 23.192 -7.119 -2.117 1.00 74.01 C ATOM 0 H PHE A 65 23.568 -11.999 -6.516 1.00 31.11 H new ATOM 0 HA PHE A 65 24.196 -12.145 -3.763 1.00 65.41 H new ATOM 0 HB2 PHE A 65 25.230 -10.394 -4.890 1.00 32.51 H new ATOM 0 HB3 PHE A 65 23.806 -10.009 -5.836 1.00 32.51 H new ATOM 0 HD1 PHE A 65 24.538 -10.207 -2.159 1.00 41.14 H new ATOM 0 HD2 PHE A 65 23.011 -7.890 -5.391 1.00 53.11 H new ATOM 0 HE1 PHE A 65 23.988 -8.393 -0.597 1.00 31.21 H new ATOM 0 HE2 PHE A 65 22.461 -6.073 -3.831 1.00 74.54 H new ATOM 0 HZ PHE A 65 22.952 -6.320 -1.431 1.00 74.01 H new ATOM 960 N PRO A 66 21.225 -10.837 -4.489 1.00 34.51 N ATOM 961 CA PRO A 66 19.887 -10.556 -3.960 1.00 32.02 C ATOM 962 C PRO A 66 19.084 -11.828 -3.707 1.00 50.43 C ATOM 963 O PRO A 66 18.210 -11.858 -2.842 1.00 31.41 O ATOM 964 CB PRO A 66 19.236 -9.723 -5.067 1.00 35.33 C ATOM 965 CG PRO A 66 19.951 -10.122 -6.311 1.00 51.32 C ATOM 966 CD PRO A 66 21.363 -10.428 -5.897 1.00 24.43 C ATOM 0 HA PRO A 66 19.928 -10.050 -2.995 1.00 32.02 H new ATOM 0 HB2 PRO A 66 18.168 -9.928 -5.141 1.00 35.33 H new ATOM 0 HB3 PRO A 66 19.343 -8.656 -4.874 1.00 35.33 H new ATOM 0 HG2 PRO A 66 19.481 -10.993 -6.769 1.00 51.32 H new ATOM 0 HG3 PRO A 66 19.926 -9.321 -7.050 1.00 51.32 H new ATOM 0 HD2 PRO A 66 21.797 -11.222 -6.505 1.00 24.43 H new ATOM 0 HD3 PRO A 66 22.010 -9.557 -6.001 1.00 24.43 H new ATOM 974 N GLU A 67 19.387 -12.875 -4.468 1.00 42.55 N ATOM 975 CA GLU A 67 18.692 -14.148 -4.326 1.00 63.51 C ATOM 976 C GLU A 67 18.864 -14.707 -2.916 1.00 73.24 C ATOM 977 O GLU A 67 17.921 -15.237 -2.328 1.00 22.51 O ATOM 978 CB GLU A 67 19.213 -15.156 -5.353 1.00 21.43 C ATOM 979 CG GLU A 67 18.735 -14.885 -6.769 1.00 42.52 C ATOM 980 CD GLU A 67 18.462 -16.157 -7.547 1.00 73.20 C ATOM 981 OE1 GLU A 67 18.898 -17.235 -7.092 1.00 65.20 O ATOM 982 OE2 GLU A 67 17.812 -16.075 -8.610 1.00 33.50 O ATOM 0 H GLU A 67 20.109 -12.866 -5.189 1.00 42.55 H new ATOM 0 HA GLU A 67 17.630 -13.975 -4.503 1.00 63.51 H new ATOM 0 HB2 GLU A 67 20.303 -15.146 -5.338 1.00 21.43 H new ATOM 0 HB3 GLU A 67 18.899 -16.157 -5.058 1.00 21.43 H new ATOM 0 HG2 GLU A 67 17.826 -14.284 -6.733 1.00 42.52 H new ATOM 0 HG3 GLU A 67 19.486 -14.296 -7.295 1.00 42.52 H new ATOM 989 N PHE A 68 20.074 -14.585 -2.381 1.00 13.42 N ATOM 990 CA PHE A 68 20.370 -15.078 -1.041 1.00 63.31 C ATOM 991 C PHE A 68 19.755 -14.172 0.021 1.00 2.21 C ATOM 992 O PHE A 68 19.297 -14.640 1.064 1.00 24.32 O ATOM 993 CB PHE A 68 21.883 -15.173 -0.833 1.00 22.11 C ATOM 994 CG PHE A 68 22.277 -16.070 0.306 1.00 15.31 C ATOM 995 CD1 PHE A 68 22.419 -17.434 0.114 1.00 61.33 C ATOM 996 CD2 PHE A 68 22.503 -15.548 1.570 1.00 42.35 C ATOM 997 CE1 PHE A 68 22.781 -18.262 1.160 1.00 63.24 C ATOM 998 CE2 PHE A 68 22.866 -16.371 2.619 1.00 10.50 C ATOM 999 CZ PHE A 68 23.004 -17.730 2.414 1.00 10.52 C ATOM 0 H PHE A 68 20.865 -14.149 -2.855 1.00 13.42 H new ATOM 0 HA PHE A 68 19.933 -16.072 -0.942 1.00 63.31 H new ATOM 0 HB2 PHE A 68 22.345 -15.539 -1.750 1.00 22.11 H new ATOM 0 HB3 PHE A 68 22.280 -14.174 -0.652 1.00 22.11 H new ATOM 0 HD1 PHE A 68 22.245 -17.856 -0.865 1.00 61.33 H new ATOM 0 HD2 PHE A 68 22.394 -14.487 1.737 1.00 42.35 H new ATOM 0 HE1 PHE A 68 22.889 -19.324 0.996 1.00 63.24 H new ATOM 0 HE2 PHE A 68 23.042 -15.952 3.599 1.00 10.50 H new ATOM 0 HZ PHE A 68 23.286 -18.375 3.233 1.00 10.52 H new ATOM 1009 N LEU A 69 19.749 -12.872 -0.251 1.00 53.43 N ATOM 1010 CA LEU A 69 19.191 -11.898 0.680 1.00 13.54 C ATOM 1011 C LEU A 69 17.677 -12.052 0.787 1.00 11.45 C ATOM 1012 O LEU A 69 17.133 -12.202 1.882 1.00 74.42 O ATOM 1013 CB LEU A 69 19.540 -10.477 0.233 1.00 11.15 C ATOM 1014 CG LEU A 69 18.895 -9.344 1.033 1.00 25.14 C ATOM 1015 CD1 LEU A 69 19.151 -9.529 2.521 1.00 3.31 C ATOM 1016 CD2 LEU A 69 19.419 -7.995 0.564 1.00 50.33 C ATOM 0 H LEU A 69 20.124 -12.468 -1.109 1.00 53.43 H new ATOM 0 HA LEU A 69 19.627 -12.081 1.662 1.00 13.54 H new ATOM 0 HB2 LEU A 69 20.622 -10.358 0.281 1.00 11.15 H new ATOM 0 HB3 LEU A 69 19.253 -10.366 -0.813 1.00 11.15 H new ATOM 0 HG LEU A 69 17.819 -9.372 0.864 1.00 25.14 H new ATOM 0 HD11 LEU A 69 18.685 -8.714 3.074 1.00 3.31 H new ATOM 0 HD12 LEU A 69 18.727 -10.479 2.848 1.00 3.31 H new ATOM 0 HD13 LEU A 69 20.225 -9.527 2.708 1.00 3.31 H new ATOM 0 HD21 LEU A 69 18.949 -7.201 1.144 1.00 50.33 H new ATOM 0 HD22 LEU A 69 20.499 -7.956 0.703 1.00 50.33 H new ATOM 0 HD23 LEU A 69 19.184 -7.861 -0.492 1.00 50.33 H new ATOM 1028 N THR A 70 17.001 -12.015 -0.357 1.00 10.32 N ATOM 1029 CA THR A 70 15.550 -12.151 -0.392 1.00 64.23 C ATOM 1030 C THR A 70 15.101 -13.430 0.306 1.00 42.25 C ATOM 1031 O THR A 70 14.014 -13.486 0.879 1.00 0.44 O ATOM 1032 CB THR A 70 15.022 -12.157 -1.839 1.00 51.41 C ATOM 1033 OG1 THR A 70 13.592 -12.083 -1.839 1.00 31.44 O ATOM 1034 CG2 THR A 70 15.470 -13.411 -2.574 1.00 44.44 C ATOM 0 H THR A 70 17.435 -11.892 -1.272 1.00 10.32 H new ATOM 0 HA THR A 70 15.138 -11.290 0.134 1.00 64.23 H new ATOM 0 HB THR A 70 15.430 -11.288 -2.355 1.00 51.41 H new ATOM 0 HG1 THR A 70 13.264 -12.086 -2.763 1.00 31.44 H new ATOM 0 HG21 THR A 70 15.085 -13.392 -3.594 1.00 44.44 H new ATOM 0 HG22 THR A 70 16.559 -13.449 -2.598 1.00 44.44 H new ATOM 0 HG23 THR A 70 15.088 -14.292 -2.058 1.00 44.44 H new ATOM 1042 N MET A 71 15.945 -14.455 0.253 1.00 62.12 N ATOM 1043 CA MET A 71 15.635 -15.733 0.882 1.00 34.33 C ATOM 1044 C MET A 71 15.402 -15.559 2.380 1.00 73.42 C ATOM 1045 O MET A 71 14.527 -16.203 2.960 1.00 44.51 O ATOM 1046 CB MET A 71 16.768 -16.733 0.643 1.00 1.43 C ATOM 1047 CG MET A 71 16.590 -18.044 1.391 1.00 73.12 C ATOM 1048 SD MET A 71 18.008 -19.143 1.214 1.00 61.14 S ATOM 1049 CE MET A 71 19.320 -18.109 1.859 1.00 44.24 C ATOM 0 H MET A 71 16.849 -14.425 -0.219 1.00 62.12 H new ATOM 0 HA MET A 71 14.720 -16.118 0.432 1.00 34.33 H new ATOM 0 HB2 MET A 71 16.839 -16.940 -0.425 1.00 1.43 H new ATOM 0 HB3 MET A 71 17.712 -16.278 0.943 1.00 1.43 H new ATOM 0 HG2 MET A 71 16.427 -17.835 2.448 1.00 73.12 H new ATOM 0 HG3 MET A 71 15.696 -18.549 1.024 1.00 73.12 H new ATOM 0 HE1 MET A 71 20.121 -18.738 2.247 1.00 44.24 H new ATOM 0 HE2 MET A 71 19.709 -17.476 1.062 1.00 44.24 H new ATOM 0 HE3 MET A 71 18.929 -17.483 2.661 1.00 44.24 H new ATOM 1059 N MET A 72 16.190 -14.687 2.999 1.00 14.33 N ATOM 1060 CA MET A 72 16.068 -14.429 4.429 1.00 15.53 C ATOM 1061 C MET A 72 14.848 -13.560 4.723 1.00 61.40 C ATOM 1062 O MET A 72 14.173 -13.744 5.735 1.00 20.23 O ATOM 1063 CB MET A 72 17.332 -13.747 4.956 1.00 30.10 C ATOM 1064 CG MET A 72 18.455 -14.718 5.281 1.00 21.45 C ATOM 1065 SD MET A 72 18.800 -14.814 7.049 1.00 63.14 S ATOM 1066 CE MET A 72 19.690 -16.366 7.136 1.00 4.11 C ATOM 0 H MET A 72 16.920 -14.147 2.533 1.00 14.33 H new ATOM 0 HA MET A 72 15.942 -15.386 4.935 1.00 15.53 H new ATOM 0 HB2 MET A 72 17.685 -13.031 4.214 1.00 30.10 H new ATOM 0 HB3 MET A 72 17.082 -13.180 5.853 1.00 30.10 H new ATOM 0 HG2 MET A 72 18.191 -15.709 4.912 1.00 21.45 H new ATOM 0 HG3 MET A 72 19.359 -14.412 4.754 1.00 21.45 H new ATOM 0 HE1 MET A 72 19.111 -17.085 7.715 1.00 4.11 H new ATOM 0 HE2 MET A 72 19.847 -16.753 6.129 1.00 4.11 H new ATOM 0 HE3 MET A 72 20.655 -16.206 7.617 1.00 4.11 H new ATOM 1076 N ALA A 73 14.572 -12.614 3.831 1.00 23.33 N ATOM 1077 CA ALA A 73 13.433 -11.719 3.995 1.00 64.34 C ATOM 1078 C ALA A 73 12.124 -12.500 4.043 1.00 4.12 C ATOM 1079 O ALA A 73 11.168 -12.086 4.699 1.00 70.13 O ATOM 1080 CB ALA A 73 13.399 -10.698 2.868 1.00 43.53 C ATOM 0 H ALA A 73 15.121 -12.448 2.988 1.00 23.33 H new ATOM 0 HA ALA A 73 13.548 -11.194 4.943 1.00 64.34 H new ATOM 0 HB1 ALA A 73 12.544 -10.036 3.003 1.00 43.53 H new ATOM 0 HB2 ALA A 73 14.318 -10.111 2.881 1.00 43.53 H new ATOM 0 HB3 ALA A 73 13.311 -11.214 1.912 1.00 43.53 H new ATOM 1265 N ILE A 85 9.491 -29.790 7.405 1.00 2.20 N ATOM 1266 CA ILE A 85 10.045 -31.008 6.827 1.00 4.13 C ATOM 1267 C ILE A 85 11.443 -31.288 7.371 1.00 55.34 C ATOM 1268 O ILE A 85 11.742 -32.403 7.796 1.00 20.43 O ATOM 1269 CB ILE A 85 10.112 -30.923 5.291 1.00 51.30 C ATOM 1270 CG1 ILE A 85 8.717 -30.679 4.711 1.00 20.41 C ATOM 1271 CG2 ILE A 85 10.716 -32.195 4.716 1.00 42.24 C ATOM 1272 CD1 ILE A 85 8.716 -30.451 3.216 1.00 53.12 C ATOM 0 HA ILE A 85 9.378 -31.823 7.109 1.00 4.13 H new ATOM 0 HB ILE A 85 10.751 -30.084 5.015 1.00 51.30 H new ATOM 0 HG12 ILE A 85 8.082 -31.535 4.940 1.00 20.41 H new ATOM 0 HG13 ILE A 85 8.274 -29.813 5.203 1.00 20.41 H new ATOM 0 HG21 ILE A 85 10.757 -32.120 3.629 1.00 42.24 H new ATOM 0 HG22 ILE A 85 11.724 -32.329 5.108 1.00 42.24 H new ATOM 0 HG23 ILE A 85 10.101 -33.050 4.998 1.00 42.24 H new ATOM 0 HD11 ILE A 85 7.694 -30.285 2.874 1.00 53.12 H new ATOM 0 HD12 ILE A 85 9.324 -29.577 2.981 1.00 53.12 H new ATOM 0 HD13 ILE A 85 9.129 -31.326 2.714 1.00 53.12 H new ATOM 1284 N ARG A 86 12.293 -30.267 7.354 1.00 2.24 N ATOM 1285 CA ARG A 86 13.659 -30.402 7.846 1.00 31.52 C ATOM 1286 C ARG A 86 13.679 -30.526 9.367 1.00 64.30 C ATOM 1287 O ARG A 86 14.419 -31.337 9.923 1.00 61.42 O ATOM 1288 CB ARG A 86 14.502 -29.203 7.410 1.00 2.12 C ATOM 1289 CG ARG A 86 15.997 -29.411 7.591 1.00 71.20 C ATOM 1290 CD ARG A 86 16.799 -28.571 6.609 1.00 21.43 C ATOM 1291 NE ARG A 86 18.238 -28.762 6.774 1.00 73.44 N ATOM 1292 CZ ARG A 86 18.888 -29.842 6.354 1.00 4.21 C ATOM 1293 NH1 ARG A 86 18.232 -30.822 5.748 1.00 3.31 N ATOM 1294 NH2 ARG A 86 20.198 -29.942 6.540 1.00 23.42 N ATOM 0 H ARG A 86 12.060 -29.337 7.005 1.00 2.24 H new ATOM 0 HA ARG A 86 14.084 -31.310 7.419 1.00 31.52 H new ATOM 0 HB2 ARG A 86 14.298 -28.989 6.361 1.00 2.12 H new ATOM 0 HB3 ARG A 86 14.194 -28.327 7.980 1.00 2.12 H new ATOM 0 HG2 ARG A 86 16.281 -29.151 8.611 1.00 71.20 H new ATOM 0 HG3 ARG A 86 16.238 -30.465 7.452 1.00 71.20 H new ATOM 0 HD2 ARG A 86 16.513 -28.832 5.590 1.00 21.43 H new ATOM 0 HD3 ARG A 86 16.555 -27.518 6.748 1.00 21.43 H new ATOM 0 HE ARG A 86 18.772 -28.027 7.237 1.00 73.44 H new ATOM 0 HH11 ARG A 86 17.225 -30.748 5.603 1.00 3.31 H new ATOM 0 HH12 ARG A 86 18.734 -31.650 5.427 1.00 3.31 H new ATOM 0 HH21 ARG A 86 20.706 -29.190 7.005 1.00 23.42 H new ATOM 0 HH22 ARG A 86 20.697 -30.771 6.218 1.00 23.42 H new ATOM 1308 N GLU A 87 12.862 -29.716 10.033 1.00 44.13 N ATOM 1309 CA GLU A 87 12.789 -29.735 11.489 1.00 54.41 C ATOM 1310 C GLU A 87 12.308 -31.093 11.992 1.00 51.21 C ATOM 1311 O GLU A 87 12.985 -31.749 12.782 1.00 25.02 O ATOM 1312 CB GLU A 87 11.852 -28.633 11.988 1.00 13.24 C ATOM 1313 CG GLU A 87 11.970 -28.363 13.479 1.00 53.00 C ATOM 1314 CD GLU A 87 10.779 -27.603 14.030 1.00 1.23 C ATOM 1315 OE1 GLU A 87 9.634 -28.045 13.801 1.00 61.10 O ATOM 1316 OE2 GLU A 87 10.993 -26.565 14.692 1.00 61.14 O ATOM 0 H GLU A 87 12.242 -29.039 9.588 1.00 44.13 H new ATOM 0 HA GLU A 87 13.790 -29.556 11.880 1.00 54.41 H new ATOM 0 HB2 GLU A 87 12.064 -27.713 11.443 1.00 13.24 H new ATOM 0 HB3 GLU A 87 10.823 -28.910 11.758 1.00 13.24 H new ATOM 0 HG2 GLU A 87 12.069 -29.310 14.009 1.00 53.00 H new ATOM 0 HG3 GLU A 87 12.880 -27.794 13.671 1.00 53.00 H new ATOM 1323 N ALA A 88 11.134 -31.507 11.528 1.00 74.21 N ATOM 1324 CA ALA A 88 10.562 -32.787 11.929 1.00 42.21 C ATOM 1325 C ALA A 88 11.549 -33.926 11.696 1.00 51.14 C ATOM 1326 O ALA A 88 11.810 -34.728 12.593 1.00 42.34 O ATOM 1327 CB ALA A 88 9.266 -33.046 11.175 1.00 43.33 C ATOM 0 H ALA A 88 10.560 -30.975 10.874 1.00 74.21 H new ATOM 0 HA ALA A 88 10.345 -32.742 12.996 1.00 42.21 H new ATOM 0 HB1 ALA A 88 8.850 -34.005 11.485 1.00 43.33 H new ATOM 0 HB2 ALA A 88 8.552 -32.253 11.396 1.00 43.33 H new ATOM 0 HB3 ALA A 88 9.466 -33.066 10.104 1.00 43.33 H new ATOM 1333 N PHE A 89 12.094 -33.992 10.485 1.00 13.13 N ATOM 1334 CA PHE A 89 13.051 -35.034 10.134 1.00 71.43 C ATOM 1335 C PHE A 89 14.198 -35.081 11.138 1.00 4.54 C ATOM 1336 O PHE A 89 14.621 -36.155 11.566 1.00 73.14 O ATOM 1337 CB PHE A 89 13.600 -34.798 8.725 1.00 3.14 C ATOM 1338 CG PHE A 89 14.210 -36.023 8.106 1.00 4.14 C ATOM 1339 CD1 PHE A 89 13.423 -37.115 7.779 1.00 22.23 C ATOM 1340 CD2 PHE A 89 15.571 -36.082 7.852 1.00 22.32 C ATOM 1341 CE1 PHE A 89 13.981 -38.244 7.209 1.00 3.01 C ATOM 1342 CE2 PHE A 89 16.135 -37.208 7.282 1.00 73.11 C ATOM 1343 CZ PHE A 89 15.339 -38.291 6.961 1.00 1.32 C ATOM 0 H PHE A 89 11.889 -33.336 9.731 1.00 13.13 H new ATOM 0 HA PHE A 89 12.532 -35.992 10.159 1.00 71.43 H new ATOM 0 HB2 PHE A 89 12.794 -34.440 8.085 1.00 3.14 H new ATOM 0 HB3 PHE A 89 14.350 -34.008 8.764 1.00 3.14 H new ATOM 0 HD1 PHE A 89 12.361 -37.084 7.972 1.00 22.23 H new ATOM 0 HD2 PHE A 89 16.198 -35.239 8.102 1.00 22.32 H new ATOM 0 HE1 PHE A 89 13.356 -39.088 6.958 1.00 3.01 H new ATOM 0 HE2 PHE A 89 17.197 -37.241 7.088 1.00 73.11 H new ATOM 0 HZ PHE A 89 15.778 -39.172 6.517 1.00 1.32 H new ATOM 1353 N ARG A 90 14.698 -33.907 11.511 1.00 45.23 N ATOM 1354 CA ARG A 90 15.798 -33.812 12.463 1.00 20.33 C ATOM 1355 C ARG A 90 15.345 -34.229 13.860 1.00 51.53 C ATOM 1356 O ARG A 90 16.113 -34.811 14.625 1.00 31.51 O ATOM 1357 CB ARG A 90 16.349 -32.386 12.498 1.00 3.25 C ATOM 1358 CG ARG A 90 17.468 -32.190 13.509 1.00 41.14 C ATOM 1359 CD ARG A 90 18.021 -30.774 13.459 1.00 24.35 C ATOM 1360 NE ARG A 90 17.006 -29.778 13.791 1.00 63.01 N ATOM 1361 CZ ARG A 90 17.210 -28.468 13.715 1.00 43.40 C ATOM 1362 NH1 ARG A 90 18.386 -27.998 13.321 1.00 72.13 N ATOM 1363 NH2 ARG A 90 16.237 -27.624 14.033 1.00 11.14 N ATOM 0 H ARG A 90 14.358 -33.008 11.168 1.00 45.23 H new ATOM 0 HA ARG A 90 16.587 -34.490 12.138 1.00 20.33 H new ATOM 0 HB2 ARG A 90 16.717 -32.123 11.506 1.00 3.25 H new ATOM 0 HB3 ARG A 90 15.537 -31.697 12.730 1.00 3.25 H new ATOM 0 HG2 ARG A 90 17.096 -32.401 14.511 1.00 41.14 H new ATOM 0 HG3 ARG A 90 18.269 -32.902 13.310 1.00 41.14 H new ATOM 0 HD2 ARG A 90 18.856 -30.686 14.154 1.00 24.35 H new ATOM 0 HD3 ARG A 90 18.414 -30.573 12.462 1.00 24.35 H new ATOM 0 HE ARG A 90 16.090 -30.106 14.098 1.00 63.01 H new ATOM 0 HH11 ARG A 90 19.137 -28.643 13.075 1.00 72.13 H new ATOM 0 HH12 ARG A 90 18.540 -26.991 13.264 1.00 72.13 H new ATOM 0 HH21 ARG A 90 15.331 -27.981 14.336 1.00 11.14 H new ATOM 0 HH22 ARG A 90 16.395 -26.618 13.974 1.00 11.14 H new ATOM 1377 N VAL A 91 14.092 -33.924 14.185 1.00 63.51 N ATOM 1378 CA VAL A 91 13.536 -34.267 15.488 1.00 23.34 C ATOM 1379 C VAL A 91 13.428 -35.778 15.660 1.00 61.34 C ATOM 1380 O VAL A 91 13.714 -36.315 16.730 1.00 12.34 O ATOM 1381 CB VAL A 91 12.145 -33.638 15.688 1.00 74.10 C ATOM 1382 CG1 VAL A 91 11.568 -34.035 17.038 1.00 12.44 C ATOM 1383 CG2 VAL A 91 12.221 -32.125 15.555 1.00 55.30 C ATOM 0 H VAL A 91 13.444 -33.440 13.564 1.00 63.51 H new ATOM 0 HA VAL A 91 14.219 -33.867 16.238 1.00 23.34 H new ATOM 0 HB VAL A 91 11.480 -34.015 14.911 1.00 74.10 H new ATOM 0 HG11 VAL A 91 10.585 -33.581 17.161 1.00 12.44 H new ATOM 0 HG12 VAL A 91 11.476 -35.120 17.089 1.00 12.44 H new ATOM 0 HG13 VAL A 91 12.229 -33.689 17.832 1.00 12.44 H new ATOM 0 HG21 VAL A 91 11.229 -31.697 15.699 1.00 55.30 H new ATOM 0 HG22 VAL A 91 12.901 -31.727 16.308 1.00 55.30 H new ATOM 0 HG23 VAL A 91 12.588 -31.865 14.562 1.00 55.30 H new ATOM 1393 N PHE A 92 13.014 -36.460 14.597 1.00 60.50 N ATOM 1394 CA PHE A 92 12.867 -37.911 14.629 1.00 5.02 C ATOM 1395 C PHE A 92 14.227 -38.597 14.530 1.00 74.34 C ATOM 1396 O PHE A 92 14.432 -39.676 15.087 1.00 11.41 O ATOM 1397 CB PHE A 92 11.962 -38.379 13.488 1.00 44.23 C ATOM 1398 CG PHE A 92 10.708 -37.565 13.345 1.00 44.43 C ATOM 1399 CD1 PHE A 92 9.958 -37.222 14.458 1.00 21.21 C ATOM 1400 CD2 PHE A 92 10.280 -37.142 12.097 1.00 75.13 C ATOM 1401 CE1 PHE A 92 8.804 -36.473 14.330 1.00 12.31 C ATOM 1402 CE2 PHE A 92 9.126 -36.392 11.963 1.00 65.14 C ATOM 1403 CZ PHE A 92 8.387 -36.058 13.080 1.00 20.04 C ATOM 0 H PHE A 92 12.774 -36.031 13.703 1.00 60.50 H new ATOM 0 HA PHE A 92 12.410 -38.184 15.580 1.00 5.02 H new ATOM 0 HB2 PHE A 92 12.520 -38.339 12.553 1.00 44.23 H new ATOM 0 HB3 PHE A 92 11.692 -39.422 13.654 1.00 44.23 H new ATOM 0 HD1 PHE A 92 10.279 -37.544 15.438 1.00 21.21 H new ATOM 0 HD2 PHE A 92 10.854 -37.401 11.219 1.00 75.13 H new ATOM 0 HE1 PHE A 92 8.229 -36.212 15.206 1.00 12.31 H new ATOM 0 HE2 PHE A 92 8.803 -36.068 10.985 1.00 65.14 H new ATOM 0 HZ PHE A 92 7.485 -35.473 12.977 1.00 20.04 H new ATOM 1413 N ASP A 93 15.151 -37.965 13.815 1.00 10.24 N ATOM 1414 CA ASP A 93 16.491 -38.513 13.642 1.00 22.02 C ATOM 1415 C ASP A 93 17.286 -38.425 14.941 1.00 22.32 C ATOM 1416 O ASP A 93 18.035 -37.473 15.161 1.00 54.32 O ATOM 1417 CB ASP A 93 17.229 -37.770 12.527 1.00 31.41 C ATOM 1418 CG ASP A 93 18.375 -38.580 11.952 1.00 10.44 C ATOM 1419 OD1 ASP A 93 18.297 -39.826 11.985 1.00 53.34 O ATOM 1420 OD2 ASP A 93 19.350 -37.967 11.470 1.00 51.33 O ATOM 0 H ASP A 93 14.997 -37.073 13.346 1.00 10.24 H new ATOM 0 HA ASP A 93 16.394 -39.563 13.366 1.00 22.02 H new ATOM 0 HB2 ASP A 93 16.526 -37.524 11.731 1.00 31.41 H new ATOM 0 HB3 ASP A 93 17.613 -36.827 12.915 1.00 31.41 H new ATOM 1425 N LYS A 94 17.118 -39.425 15.800 1.00 2.13 N ATOM 1426 CA LYS A 94 17.819 -39.462 17.078 1.00 24.21 C ATOM 1427 C LYS A 94 19.261 -39.926 16.894 1.00 32.35 C ATOM 1428 O LYS A 94 20.179 -39.394 17.519 1.00 54.01 O ATOM 1429 CB LYS A 94 17.094 -40.391 18.055 1.00 51.25 C ATOM 1430 CG LYS A 94 16.969 -41.820 17.556 1.00 54.15 C ATOM 1431 CD LYS A 94 16.161 -42.677 18.516 1.00 64.11 C ATOM 1432 CE LYS A 94 14.669 -42.561 18.247 1.00 71.33 C ATOM 1433 NZ LYS A 94 13.932 -43.782 18.675 1.00 74.33 N ATOM 0 H LYS A 94 16.502 -40.221 15.634 1.00 2.13 H new ATOM 0 HA LYS A 94 17.830 -38.452 17.487 1.00 24.21 H new ATOM 0 HB2 LYS A 94 17.627 -40.392 19.006 1.00 51.25 H new ATOM 0 HB3 LYS A 94 16.097 -39.994 18.249 1.00 51.25 H new ATOM 0 HG2 LYS A 94 16.493 -41.824 16.575 1.00 54.15 H new ATOM 0 HG3 LYS A 94 17.962 -42.251 17.430 1.00 54.15 H new ATOM 0 HD2 LYS A 94 16.469 -43.719 18.422 1.00 64.11 H new ATOM 0 HD3 LYS A 94 16.371 -42.373 19.541 1.00 64.11 H new ATOM 0 HE2 LYS A 94 14.271 -41.693 18.774 1.00 71.33 H new ATOM 0 HE3 LYS A 94 14.504 -42.391 17.183 1.00 71.33 H new ATOM 0 HZ1 LYS A 94 12.945 -43.722 18.354 1.00 74.33 H new ATOM 0 HZ2 LYS A 94 14.381 -44.622 18.258 1.00 74.33 H new ATOM 0 HZ3 LYS A 94 13.955 -43.856 19.712 1.00 74.33 H new ATOM 1447 N ASP A 95 19.452 -40.920 16.034 1.00 44.23 N ATOM 1448 CA ASP A 95 20.783 -41.454 15.766 1.00 52.41 C ATOM 1449 C ASP A 95 21.584 -40.499 14.886 1.00 60.43 C ATOM 1450 O ASP A 95 22.783 -40.685 14.682 1.00 20.33 O ATOM 1451 CB ASP A 95 20.680 -42.823 15.093 1.00 21.31 C ATOM 1452 CG ASP A 95 19.938 -42.765 13.772 1.00 23.42 C ATOM 1453 OD1 ASP A 95 19.500 -41.662 13.386 1.00 53.44 O ATOM 1454 OD2 ASP A 95 19.797 -43.824 13.125 1.00 41.53 O ATOM 0 H ASP A 95 18.703 -41.372 15.510 1.00 44.23 H new ATOM 0 HA ASP A 95 21.302 -41.564 16.718 1.00 52.41 H new ATOM 0 HB2 ASP A 95 21.682 -43.219 14.926 1.00 21.31 H new ATOM 0 HB3 ASP A 95 20.170 -43.516 15.762 1.00 21.31 H new ATOM 1459 N GLY A 96 20.912 -39.477 14.365 1.00 71.34 N ATOM 1460 CA GLY A 96 21.577 -38.510 13.511 1.00 31.11 C ATOM 1461 C GLY A 96 22.185 -39.147 12.277 1.00 33.02 C ATOM 1462 O GLY A 96 23.157 -38.637 11.722 1.00 55.40 O ATOM 0 H GLY A 96 19.919 -39.301 14.519 1.00 71.34 H new ATOM 0 HA2 GLY A 96 20.861 -37.746 13.207 1.00 31.11 H new ATOM 0 HA3 GLY A 96 22.359 -38.006 14.079 1.00 31.11 H new ATOM 1466 N ASN A 97 21.612 -40.267 11.848 1.00 53.21 N ATOM 1467 CA ASN A 97 22.105 -40.976 10.673 1.00 51.23 C ATOM 1468 C ASN A 97 21.522 -40.381 9.394 1.00 31.43 C ATOM 1469 O ASN A 97 22.022 -40.628 8.298 1.00 63.51 O ATOM 1470 CB ASN A 97 21.754 -42.462 10.764 1.00 71.34 C ATOM 1471 CG ASN A 97 20.270 -42.718 10.581 1.00 64.33 C ATOM 1472 OD1 ASN A 97 19.445 -41.830 10.793 1.00 41.22 O ATOM 1473 ND2 ASN A 97 19.925 -43.938 10.185 1.00 0.01 N ATOM 0 H ASN A 97 20.806 -40.703 12.296 1.00 53.21 H new ATOM 0 HA ASN A 97 23.189 -40.867 10.642 1.00 51.23 H new ATOM 0 HB2 ASN A 97 22.311 -43.011 10.005 1.00 71.34 H new ATOM 0 HB3 ASN A 97 22.070 -42.848 11.733 1.00 71.34 H new ATOM 0 HD21 ASN A 97 18.942 -44.170 10.045 1.00 0.01 H new ATOM 0 HD22 ASN A 97 20.643 -44.643 10.021 1.00 0.01 H new ATOM 1480 N GLY A 98 20.460 -39.595 9.544 1.00 21.21 N ATOM 1481 CA GLY A 98 19.826 -38.977 8.394 1.00 24.21 C ATOM 1482 C GLY A 98 18.889 -39.923 7.671 1.00 70.55 C ATOM 1483 O GLY A 98 18.535 -39.694 6.514 1.00 14.40 O ATOM 0 H GLY A 98 20.028 -39.375 10.441 1.00 21.21 H new ATOM 0 HA2 GLY A 98 19.270 -38.097 8.719 1.00 24.21 H new ATOM 0 HA3 GLY A 98 20.594 -38.631 7.702 1.00 24.21 H new ATOM 1487 N TYR A 99 18.487 -40.991 8.351 1.00 25.12 N ATOM 1488 CA TYR A 99 17.589 -41.978 7.765 1.00 72.14 C ATOM 1489 C TYR A 99 16.572 -42.467 8.791 1.00 21.54 C ATOM 1490 O TYR A 99 16.895 -42.641 9.967 1.00 0.30 O ATOM 1491 CB TYR A 99 18.386 -43.162 7.216 1.00 62.25 C ATOM 1492 CG TYR A 99 18.949 -42.924 5.832 1.00 35.43 C ATOM 1493 CD1 TYR A 99 19.997 -42.036 5.630 1.00 3.14 C ATOM 1494 CD2 TYR A 99 18.431 -43.589 4.727 1.00 23.22 C ATOM 1495 CE1 TYR A 99 20.513 -41.815 4.368 1.00 25.02 C ATOM 1496 CE2 TYR A 99 18.942 -43.376 3.461 1.00 2.35 C ATOM 1497 CZ TYR A 99 19.983 -42.487 3.287 1.00 32.41 C ATOM 1498 OH TYR A 99 20.495 -42.271 2.028 1.00 21.24 O ATOM 0 H TYR A 99 18.769 -41.195 9.310 1.00 25.12 H new ATOM 0 HA TYR A 99 17.051 -41.500 6.946 1.00 72.14 H new ATOM 0 HB2 TYR A 99 19.206 -43.385 7.899 1.00 62.25 H new ATOM 0 HB3 TYR A 99 17.743 -44.042 7.191 1.00 62.25 H new ATOM 0 HD1 TYR A 99 20.416 -41.509 6.474 1.00 3.14 H new ATOM 0 HD2 TYR A 99 17.615 -44.284 4.860 1.00 23.22 H new ATOM 0 HE1 TYR A 99 21.327 -41.119 4.229 1.00 25.02 H new ATOM 0 HE2 TYR A 99 18.529 -43.902 2.613 1.00 2.35 H new ATOM 0 HH TYR A 99 20.011 -42.823 1.379 1.00 21.24 H new ATOM 1508 N ILE A 100 15.343 -42.689 8.338 1.00 11.21 N ATOM 1509 CA ILE A 100 14.279 -43.160 9.216 1.00 52.12 C ATOM 1510 C ILE A 100 14.009 -44.646 9.004 1.00 54.34 C ATOM 1511 O ILE A 100 13.768 -45.089 7.881 1.00 75.11 O ATOM 1512 CB ILE A 100 12.973 -42.375 8.989 1.00 3.25 C ATOM 1513 CG1 ILE A 100 13.204 -40.880 9.223 1.00 22.55 C ATOM 1514 CG2 ILE A 100 11.876 -42.897 9.905 1.00 0.50 C ATOM 1515 CD1 ILE A 100 11.969 -40.036 9.000 1.00 3.02 C ATOM 0 H ILE A 100 15.059 -42.550 7.368 1.00 11.21 H new ATOM 0 HA ILE A 100 14.618 -42.997 10.239 1.00 52.12 H new ATOM 0 HB ILE A 100 12.655 -42.517 7.956 1.00 3.25 H new ATOM 0 HG12 ILE A 100 13.557 -40.730 10.243 1.00 22.55 H new ATOM 0 HG13 ILE A 100 13.995 -40.534 8.558 1.00 22.55 H new ATOM 0 HG21 ILE A 100 10.959 -42.333 9.733 1.00 0.50 H new ATOM 0 HG22 ILE A 100 11.698 -43.952 9.695 1.00 0.50 H new ATOM 0 HG23 ILE A 100 12.184 -42.781 10.944 1.00 0.50 H new ATOM 0 HD11 ILE A 100 12.206 -38.988 9.184 1.00 3.02 H new ATOM 0 HD12 ILE A 100 11.627 -40.156 7.972 1.00 3.02 H new ATOM 0 HD13 ILE A 100 11.182 -40.355 9.683 1.00 3.02 H new ATOM 1527 N SER A 101 14.049 -45.410 10.090 1.00 11.14 N ATOM 1528 CA SER A 101 13.810 -46.847 10.024 1.00 43.05 C ATOM 1529 C SER A 101 12.449 -47.200 10.616 1.00 42.24 C ATOM 1530 O SER A 101 11.678 -46.319 10.995 1.00 21.11 O ATOM 1531 CB SER A 101 14.914 -47.604 10.766 1.00 53.53 C ATOM 1532 OG SER A 101 14.916 -47.278 12.145 1.00 70.40 O ATOM 0 H SER A 101 14.245 -45.058 11.027 1.00 11.14 H new ATOM 0 HA SER A 101 13.818 -47.143 8.975 1.00 43.05 H new ATOM 0 HB2 SER A 101 14.770 -48.677 10.643 1.00 53.53 H new ATOM 0 HB3 SER A 101 15.883 -47.361 10.330 1.00 53.53 H new ATOM 0 HG SER A 101 15.629 -47.775 12.598 1.00 70.40 H new ATOM 1538 N ALA A 102 12.162 -48.495 10.691 1.00 74.21 N ATOM 1539 CA ALA A 102 10.895 -48.966 11.238 1.00 3.01 C ATOM 1540 C ALA A 102 10.859 -48.807 12.754 1.00 5.13 C ATOM 1541 O ALA A 102 9.800 -48.583 13.339 1.00 4.24 O ATOM 1542 CB ALA A 102 10.661 -50.419 10.852 1.00 23.02 C ATOM 0 H ALA A 102 12.789 -49.237 10.380 1.00 74.21 H new ATOM 0 HA ALA A 102 10.096 -48.356 10.816 1.00 3.01 H new ATOM 0 HB1 ALA A 102 9.712 -50.757 11.267 1.00 23.02 H new ATOM 0 HB2 ALA A 102 10.634 -50.507 9.766 1.00 23.02 H new ATOM 0 HB3 ALA A 102 11.469 -51.035 11.246 1.00 23.02 H new ATOM 1548 N ALA A 103 12.023 -48.925 13.385 1.00 65.13 N ATOM 1549 CA ALA A 103 12.125 -48.793 14.833 1.00 72.12 C ATOM 1550 C ALA A 103 11.916 -47.347 15.268 1.00 14.21 C ATOM 1551 O ALA A 103 11.161 -47.073 16.201 1.00 70.32 O ATOM 1552 CB ALA A 103 13.475 -49.302 15.316 1.00 51.21 C ATOM 0 H ALA A 103 12.909 -49.112 12.915 1.00 65.13 H new ATOM 0 HA ALA A 103 11.339 -49.398 15.284 1.00 72.12 H new ATOM 0 HB1 ALA A 103 13.537 -49.197 16.399 1.00 51.21 H new ATOM 0 HB2 ALA A 103 13.586 -50.352 15.046 1.00 51.21 H new ATOM 0 HB3 ALA A 103 14.271 -48.722 14.849 1.00 51.21 H new ATOM 1558 N GLU A 104 12.589 -46.425 14.587 1.00 23.10 N ATOM 1559 CA GLU A 104 12.477 -45.007 14.906 1.00 43.30 C ATOM 1560 C GLU A 104 11.093 -44.475 14.545 1.00 62.43 C ATOM 1561 O GLU A 104 10.479 -43.735 15.314 1.00 4.13 O ATOM 1562 CB GLU A 104 13.552 -44.208 14.165 1.00 74.13 C ATOM 1563 CG GLU A 104 14.968 -44.666 14.468 1.00 63.31 C ATOM 1564 CD GLU A 104 15.985 -44.101 13.496 1.00 41.54 C ATOM 1565 OE1 GLU A 104 15.613 -43.843 12.332 1.00 75.24 O ATOM 1566 OE2 GLU A 104 17.153 -43.915 13.898 1.00 75.51 O ATOM 0 H GLU A 104 13.217 -46.635 13.811 1.00 23.10 H new ATOM 0 HA GLU A 104 12.623 -44.890 15.980 1.00 43.30 H new ATOM 0 HB2 GLU A 104 13.376 -44.286 13.092 1.00 74.13 H new ATOM 0 HB3 GLU A 104 13.456 -43.155 14.428 1.00 74.13 H new ATOM 0 HG2 GLU A 104 15.234 -44.366 15.481 1.00 63.31 H new ATOM 0 HG3 GLU A 104 15.008 -45.755 14.438 1.00 63.31 H new ATOM 1573 N LEU A 105 10.608 -44.858 13.369 1.00 53.12 N ATOM 1574 CA LEU A 105 9.296 -44.420 12.904 1.00 61.44 C ATOM 1575 C LEU A 105 8.221 -44.725 13.941 1.00 33.15 C ATOM 1576 O LEU A 105 7.343 -43.901 14.201 1.00 62.53 O ATOM 1577 CB LEU A 105 8.950 -45.102 11.579 1.00 52.35 C ATOM 1578 CG LEU A 105 7.632 -44.676 10.929 1.00 24.22 C ATOM 1579 CD1 LEU A 105 7.590 -43.167 10.747 1.00 42.02 C ATOM 1580 CD2 LEU A 105 7.443 -45.382 9.594 1.00 23.15 C ATOM 0 H LEU A 105 11.103 -45.470 12.720 1.00 53.12 H new ATOM 0 HA LEU A 105 9.333 -43.341 12.753 1.00 61.44 H new ATOM 0 HB2 LEU A 105 9.758 -44.911 10.873 1.00 52.35 H new ATOM 0 HB3 LEU A 105 8.919 -46.179 11.745 1.00 52.35 H new ATOM 0 HG LEU A 105 6.814 -44.964 11.589 1.00 24.22 H new ATOM 0 HD11 LEU A 105 6.645 -42.883 10.283 1.00 42.02 H new ATOM 0 HD12 LEU A 105 7.678 -42.681 11.719 1.00 42.02 H new ATOM 0 HD13 LEU A 105 8.416 -42.854 10.108 1.00 42.02 H new ATOM 0 HD21 LEU A 105 6.501 -45.067 9.146 1.00 23.15 H new ATOM 0 HD22 LEU A 105 8.266 -45.125 8.927 1.00 23.15 H new ATOM 0 HD23 LEU A 105 7.427 -46.460 9.752 1.00 23.15 H new ATOM 1592 N ARG A 106 8.297 -45.912 14.534 1.00 73.53 N ATOM 1593 CA ARG A 106 7.330 -46.325 15.544 1.00 24.42 C ATOM 1594 C ARG A 106 7.413 -45.427 16.775 1.00 52.34 C ATOM 1595 O ARG A 106 6.398 -44.927 17.261 1.00 54.15 O ATOM 1596 CB ARG A 106 7.572 -47.782 15.946 1.00 15.31 C ATOM 1597 CG ARG A 106 6.403 -48.410 16.688 1.00 61.34 C ATOM 1598 CD ARG A 106 6.837 -49.639 17.472 1.00 41.14 C ATOM 1599 NE ARG A 106 6.024 -49.840 18.668 1.00 71.20 N ATOM 1600 CZ ARG A 106 6.171 -49.135 19.784 1.00 41.32 C ATOM 1601 NH1 ARG A 106 7.095 -48.187 19.856 1.00 42.43 N ATOM 1602 NH2 ARG A 106 5.393 -49.377 20.831 1.00 54.32 N ATOM 0 H ARG A 106 9.018 -46.605 14.332 1.00 73.53 H new ATOM 0 HA ARG A 106 6.332 -46.234 15.115 1.00 24.42 H new ATOM 0 HB2 ARG A 106 7.780 -48.368 15.051 1.00 15.31 H new ATOM 0 HB3 ARG A 106 8.461 -47.834 16.575 1.00 15.31 H new ATOM 0 HG2 ARG A 106 5.967 -47.678 17.368 1.00 61.34 H new ATOM 0 HG3 ARG A 106 5.625 -48.687 15.976 1.00 61.34 H new ATOM 0 HD2 ARG A 106 6.767 -50.520 16.834 1.00 41.14 H new ATOM 0 HD3 ARG A 106 7.884 -49.535 17.758 1.00 41.14 H new ATOM 0 HE ARG A 106 5.303 -50.562 18.645 1.00 71.20 H new ATOM 0 HH11 ARG A 106 7.695 -47.998 19.053 1.00 42.43 H new ATOM 0 HH12 ARG A 106 7.206 -47.647 20.714 1.00 42.43 H new ATOM 0 HH21 ARG A 106 4.681 -50.105 20.780 1.00 54.32 H new ATOM 0 HH22 ARG A 106 5.507 -48.835 21.687 1.00 54.32 H new ATOM 1616 N HIS A 107 8.628 -45.226 17.274 1.00 2.12 N ATOM 1617 CA HIS A 107 8.843 -44.387 18.448 1.00 23.41 C ATOM 1618 C HIS A 107 8.232 -43.004 18.247 1.00 20.00 C ATOM 1619 O HIS A 107 7.736 -42.390 19.192 1.00 40.13 O ATOM 1620 CB HIS A 107 10.338 -44.259 18.743 1.00 61.35 C ATOM 1621 CG HIS A 107 10.641 -43.449 19.965 1.00 15.31 C ATOM 1622 ND1 HIS A 107 11.035 -44.009 21.161 1.00 23.53 N ATOM 1623 CD2 HIS A 107 10.606 -42.111 20.171 1.00 32.45 C ATOM 1624 CE1 HIS A 107 11.229 -43.052 22.051 1.00 34.42 C ATOM 1625 NE2 HIS A 107 10.975 -41.891 21.476 1.00 42.14 N ATOM 0 H HIS A 107 9.479 -45.632 16.884 1.00 2.12 H new ATOM 0 HA HIS A 107 8.352 -44.862 19.298 1.00 23.41 H new ATOM 0 HB2 HIS A 107 10.763 -45.256 18.864 1.00 61.35 H new ATOM 0 HB3 HIS A 107 10.832 -43.804 17.884 1.00 61.35 H new ATOM 0 HD2 HIS A 107 10.338 -41.358 19.445 1.00 32.45 H new ATOM 0 HE1 HIS A 107 11.542 -43.195 23.075 1.00 34.42 H new ATOM 0 HE2 HIS A 107 11.042 -40.979 21.927 1.00 42.14 H new ATOM 1633 N VAL A 108 8.272 -42.519 17.010 1.00 11.31 N ATOM 1634 CA VAL A 108 7.722 -41.208 16.685 1.00 71.21 C ATOM 1635 C VAL A 108 6.198 -41.236 16.689 1.00 54.44 C ATOM 1636 O VAL A 108 5.550 -40.232 16.983 1.00 15.14 O ATOM 1637 CB VAL A 108 8.212 -40.719 15.309 1.00 22.40 C ATOM 1638 CG1 VAL A 108 7.602 -39.367 14.974 1.00 4.33 C ATOM 1639 CG2 VAL A 108 9.732 -40.651 15.279 1.00 14.40 C ATOM 0 H VAL A 108 8.679 -43.014 16.217 1.00 11.31 H new ATOM 0 HA VAL A 108 8.072 -40.518 17.453 1.00 71.21 H new ATOM 0 HB VAL A 108 7.888 -41.433 14.552 1.00 22.40 H new ATOM 0 HG11 VAL A 108 7.960 -39.038 13.998 1.00 4.33 H new ATOM 0 HG12 VAL A 108 6.516 -39.453 14.952 1.00 4.33 H new ATOM 0 HG13 VAL A 108 7.893 -38.639 15.731 1.00 4.33 H new ATOM 0 HG21 VAL A 108 10.061 -40.304 14.300 1.00 14.40 H new ATOM 0 HG22 VAL A 108 10.080 -39.959 16.046 1.00 14.40 H new ATOM 0 HG23 VAL A 108 10.144 -41.642 15.470 1.00 14.40 H new ATOM 1649 N MET A 109 5.631 -42.392 16.360 1.00 63.14 N ATOM 1650 CA MET A 109 4.182 -42.551 16.327 1.00 40.22 C ATOM 1651 C MET A 109 3.608 -42.598 17.739 1.00 22.43 C ATOM 1652 O MET A 109 2.702 -41.836 18.079 1.00 24.31 O ATOM 1653 CB MET A 109 3.804 -43.824 15.567 1.00 40.20 C ATOM 1654 CG MET A 109 2.304 -44.019 15.417 1.00 61.03 C ATOM 1655 SD MET A 109 1.527 -42.712 14.447 1.00 22.23 S ATOM 1656 CE MET A 109 1.655 -43.394 12.796 1.00 34.30 C ATOM 0 H MET A 109 6.153 -43.233 16.112 1.00 63.14 H new ATOM 0 HA MET A 109 3.759 -41.689 15.811 1.00 40.22 H new ATOM 0 HB2 MET A 109 4.259 -43.795 14.577 1.00 40.20 H new ATOM 0 HB3 MET A 109 4.224 -44.686 16.086 1.00 40.20 H new ATOM 0 HG2 MET A 109 2.112 -44.981 14.942 1.00 61.03 H new ATOM 0 HG3 MET A 109 1.845 -44.054 16.405 1.00 61.03 H new ATOM 0 HE1 MET A 109 1.486 -42.606 12.063 1.00 34.30 H new ATOM 0 HE2 MET A 109 2.650 -43.816 12.653 1.00 34.30 H new ATOM 0 HE3 MET A 109 0.907 -44.176 12.667 1.00 34.30 H new ATOM 1666 N THR A 110 4.141 -43.499 18.560 1.00 53.03 N ATOM 1667 CA THR A 110 3.681 -43.647 19.935 1.00 54.24 C ATOM 1668 C THR A 110 3.678 -42.306 20.661 1.00 75.44 C ATOM 1669 O THR A 110 2.867 -42.078 21.558 1.00 44.34 O ATOM 1670 CB THR A 110 4.560 -44.640 20.718 1.00 41.23 C ATOM 1671 OG1 THR A 110 4.230 -44.594 22.110 1.00 30.03 O ATOM 1672 CG2 THR A 110 6.036 -44.320 20.530 1.00 35.23 C ATOM 0 H THR A 110 4.892 -44.137 18.296 1.00 53.03 H new ATOM 0 HA THR A 110 2.663 -44.034 19.888 1.00 54.24 H new ATOM 0 HB THR A 110 4.370 -45.642 20.333 1.00 41.23 H new ATOM 0 HG1 THR A 110 4.792 -45.229 22.601 1.00 30.03 H new ATOM 0 HG21 THR A 110 6.638 -45.034 21.092 1.00 35.23 H new ATOM 0 HG22 THR A 110 6.290 -44.385 19.472 1.00 35.23 H new ATOM 0 HG23 THR A 110 6.239 -43.312 20.891 1.00 35.23 H new ATOM 1680 N ASN A 111 4.589 -41.423 20.266 1.00 53.11 N ATOM 1681 CA ASN A 111 4.690 -40.104 20.880 1.00 44.12 C ATOM 1682 C ASN A 111 3.438 -39.277 20.604 1.00 31.52 C ATOM 1683 O ASN A 111 2.975 -38.527 21.464 1.00 55.43 O ATOM 1684 CB ASN A 111 5.926 -39.369 20.356 1.00 13.40 C ATOM 1685 CG ASN A 111 7.174 -39.694 21.154 1.00 53.13 C ATOM 1686 OD1 ASN A 111 8.144 -40.230 20.618 1.00 31.33 O ATOM 1687 ND2 ASN A 111 7.154 -39.370 22.441 1.00 12.04 N ATOM 0 H ASN A 111 5.267 -41.596 19.524 1.00 53.11 H new ATOM 0 HA ASN A 111 4.784 -40.239 21.958 1.00 44.12 H new ATOM 0 HB2 ASN A 111 6.087 -39.634 19.311 1.00 13.40 H new ATOM 0 HB3 ASN A 111 5.747 -38.294 20.388 1.00 13.40 H new ATOM 0 HD21 ASN A 111 7.965 -39.564 23.028 1.00 12.04 H new ATOM 0 HD22 ASN A 111 6.328 -38.927 22.843 1.00 12.04 H new ATOM 1694 N LEU A 112 2.894 -39.421 19.401 1.00 62.13 N ATOM 1695 CA LEU A 112 1.694 -38.689 19.011 1.00 43.21 C ATOM 1696 C LEU A 112 0.465 -39.237 19.728 1.00 13.12 C ATOM 1697 O LEU A 112 -0.613 -38.645 19.675 1.00 25.15 O ATOM 1698 CB LEU A 112 1.493 -38.769 17.497 1.00 44.14 C ATOM 1699 CG LEU A 112 2.289 -37.766 16.660 1.00 32.10 C ATOM 1700 CD1 LEU A 112 2.335 -38.204 15.204 1.00 5.33 C ATOM 1701 CD2 LEU A 112 1.686 -36.374 16.781 1.00 5.13 C ATOM 0 H LEU A 112 3.265 -40.038 18.678 1.00 62.13 H new ATOM 0 HA LEU A 112 1.825 -37.646 19.299 1.00 43.21 H new ATOM 0 HB2 LEU A 112 1.755 -39.775 17.169 1.00 44.14 H new ATOM 0 HB3 LEU A 112 0.433 -38.630 17.283 1.00 44.14 H new ATOM 0 HG LEU A 112 3.310 -37.733 17.041 1.00 32.10 H new ATOM 0 HD11 LEU A 112 2.905 -37.479 14.624 1.00 5.33 H new ATOM 0 HD12 LEU A 112 2.812 -39.181 15.133 1.00 5.33 H new ATOM 0 HD13 LEU A 112 1.320 -38.266 14.811 1.00 5.33 H new ATOM 0 HD21 LEU A 112 2.265 -35.673 16.179 1.00 5.13 H new ATOM 0 HD22 LEU A 112 0.655 -36.392 16.426 1.00 5.13 H new ATOM 0 HD23 LEU A 112 1.705 -36.059 17.824 1.00 5.13 H new ATOM 1713 N GLY A 113 0.635 -40.371 20.401 1.00 74.44 N ATOM 1714 CA GLY A 113 -0.469 -40.979 21.121 1.00 61.22 C ATOM 1715 C GLY A 113 -1.086 -42.139 20.365 1.00 63.42 C ATOM 1716 O GLY A 113 -2.275 -42.419 20.509 1.00 71.41 O ATOM 0 H GLY A 113 1.517 -40.879 20.460 1.00 74.44 H new ATOM 0 HA2 GLY A 113 -0.117 -41.328 22.092 1.00 61.22 H new ATOM 0 HA3 GLY A 113 -1.233 -40.226 21.311 1.00 61.22 H new ATOM 1720 N GLU A 114 -0.275 -42.814 19.556 1.00 71.42 N ATOM 1721 CA GLU A 114 -0.750 -43.949 18.773 1.00 70.04 C ATOM 1722 C GLU A 114 0.209 -45.130 18.890 1.00 72.44 C ATOM 1723 O GLU A 114 1.324 -45.094 18.370 1.00 42.43 O ATOM 1724 CB GLU A 114 -0.910 -43.552 17.304 1.00 54.24 C ATOM 1725 CG GLU A 114 -1.240 -44.720 16.390 1.00 70.13 C ATOM 1726 CD GLU A 114 -2.533 -45.413 16.772 1.00 32.34 C ATOM 1727 OE1 GLU A 114 -3.611 -44.822 16.555 1.00 51.20 O ATOM 1728 OE2 GLU A 114 -2.467 -46.548 17.289 1.00 24.43 O ATOM 0 H GLU A 114 0.713 -42.595 19.426 1.00 71.42 H new ATOM 0 HA GLU A 114 -1.720 -44.250 19.169 1.00 70.04 H new ATOM 0 HB2 GLU A 114 -1.698 -42.804 17.222 1.00 54.24 H new ATOM 0 HB3 GLU A 114 0.012 -43.082 16.961 1.00 54.24 H new ATOM 0 HG2 GLU A 114 -1.313 -44.363 15.363 1.00 70.13 H new ATOM 0 HG3 GLU A 114 -0.423 -45.441 16.419 1.00 70.13 H new ATOM 1735 N LYS A 115 -0.234 -46.178 19.577 1.00 43.02 N ATOM 1736 CA LYS A 115 0.583 -47.372 19.763 1.00 13.40 C ATOM 1737 C LYS A 115 0.428 -48.326 18.583 1.00 2.02 C ATOM 1738 O LYS A 115 -0.674 -48.791 18.288 1.00 65.02 O ATOM 1739 CB LYS A 115 0.195 -48.082 21.062 1.00 72.33 C ATOM 1740 CG LYS A 115 1.301 -48.953 21.633 1.00 51.44 C ATOM 1741 CD LYS A 115 0.886 -49.590 22.948 1.00 3.22 C ATOM 1742 CE LYS A 115 2.092 -49.898 23.823 1.00 60.24 C ATOM 1743 NZ LYS A 115 1.768 -50.890 24.885 1.00 73.32 N ATOM 0 H LYS A 115 -1.154 -46.225 20.014 1.00 43.02 H new ATOM 0 HA LYS A 115 1.627 -47.063 19.823 1.00 13.40 H new ATOM 0 HB2 LYS A 115 -0.087 -47.335 21.804 1.00 72.33 H new ATOM 0 HB3 LYS A 115 -0.685 -48.699 20.880 1.00 72.33 H new ATOM 0 HG2 LYS A 115 1.559 -49.732 20.916 1.00 51.44 H new ATOM 0 HG3 LYS A 115 2.197 -48.351 21.786 1.00 51.44 H new ATOM 0 HD2 LYS A 115 0.210 -48.921 23.480 1.00 3.22 H new ATOM 0 HD3 LYS A 115 0.334 -50.509 22.750 1.00 3.22 H new ATOM 0 HE2 LYS A 115 2.902 -50.282 23.203 1.00 60.24 H new ATOM 0 HE3 LYS A 115 2.451 -48.978 24.283 1.00 60.24 H new ATOM 0 HZ1 LYS A 115 2.615 -51.073 25.459 1.00 73.32 H new ATOM 0 HZ2 LYS A 115 1.012 -50.514 25.493 1.00 73.32 H new ATOM 0 HZ3 LYS A 115 1.449 -51.777 24.446 1.00 73.32 H new ATOM 1757 N LEU A 116 1.538 -48.615 17.913 1.00 21.20 N ATOM 1758 CA LEU A 116 1.526 -49.516 16.766 1.00 62.13 C ATOM 1759 C LEU A 116 2.512 -50.663 16.964 1.00 73.31 C ATOM 1760 O LEU A 116 3.501 -50.529 17.685 1.00 63.33 O ATOM 1761 CB LEU A 116 1.869 -48.750 15.487 1.00 53.31 C ATOM 1762 CG LEU A 116 0.842 -47.712 15.031 1.00 62.20 C ATOM 1763 CD1 LEU A 116 1.262 -47.091 13.708 1.00 63.32 C ATOM 1764 CD2 LEU A 116 -0.537 -48.343 14.912 1.00 74.32 C ATOM 0 H LEU A 116 2.457 -48.239 18.144 1.00 21.20 H new ATOM 0 HA LEU A 116 0.524 -49.934 16.675 1.00 62.13 H new ATOM 0 HB2 LEU A 116 2.824 -48.246 15.634 1.00 53.31 H new ATOM 0 HB3 LEU A 116 2.009 -49.471 14.682 1.00 53.31 H new ATOM 0 HG LEU A 116 0.795 -46.922 15.781 1.00 62.20 H new ATOM 0 HD11 LEU A 116 0.519 -46.355 13.399 1.00 63.32 H new ATOM 0 HD12 LEU A 116 2.229 -46.603 13.826 1.00 63.32 H new ATOM 0 HD13 LEU A 116 1.339 -47.869 12.949 1.00 63.32 H new ATOM 0 HD21 LEU A 116 -1.255 -47.590 14.587 1.00 74.32 H new ATOM 0 HD22 LEU A 116 -0.505 -49.153 14.183 1.00 74.32 H new ATOM 0 HD23 LEU A 116 -0.841 -48.739 15.881 1.00 74.32 H new ATOM 1776 N THR A 117 2.236 -51.792 16.318 1.00 61.03 N ATOM 1777 CA THR A 117 3.098 -52.962 16.422 1.00 62.52 C ATOM 1778 C THR A 117 4.183 -52.943 15.351 1.00 30.30 C ATOM 1779 O THR A 117 4.080 -52.217 14.362 1.00 33.21 O ATOM 1780 CB THR A 117 2.291 -54.268 16.295 1.00 33.10 C ATOM 1781 OG1 THR A 117 1.538 -54.262 15.077 1.00 61.32 O ATOM 1782 CG2 THR A 117 1.349 -54.439 17.478 1.00 65.22 C ATOM 0 H THR A 117 1.422 -51.920 15.717 1.00 61.03 H new ATOM 0 HA THR A 117 3.563 -52.925 17.407 1.00 62.52 H new ATOM 0 HB THR A 117 2.992 -55.103 16.285 1.00 33.10 H new ATOM 0 HG1 THR A 117 1.029 -55.096 15.003 1.00 61.32 H new ATOM 0 HG21 THR A 117 0.790 -55.368 17.366 1.00 65.22 H new ATOM 0 HG22 THR A 117 1.927 -54.472 18.402 1.00 65.22 H new ATOM 0 HG23 THR A 117 0.655 -53.600 17.514 1.00 65.22 H new ATOM 1790 N ASP A 118 5.222 -53.746 15.554 1.00 41.41 N ATOM 1791 CA ASP A 118 6.326 -53.822 14.604 1.00 20.01 C ATOM 1792 C ASP A 118 5.814 -54.118 13.198 1.00 34.31 C ATOM 1793 O ASP A 118 6.320 -53.577 12.216 1.00 3.22 O ATOM 1794 CB ASP A 118 7.323 -54.899 15.034 1.00 4.23 C ATOM 1795 CG ASP A 118 8.172 -54.464 16.213 1.00 34.44 C ATOM 1796 OD1 ASP A 118 8.160 -53.259 16.541 1.00 31.21 O ATOM 1797 OD2 ASP A 118 8.846 -55.330 16.809 1.00 3.21 O ATOM 0 H ASP A 118 5.323 -54.353 16.367 1.00 41.41 H new ATOM 0 HA ASP A 118 6.829 -52.855 14.592 1.00 20.01 H new ATOM 0 HB2 ASP A 118 6.781 -55.808 15.296 1.00 4.23 H new ATOM 0 HB3 ASP A 118 7.972 -55.146 14.194 1.00 4.23 H new ATOM 1802 N GLU A 119 4.807 -54.982 13.110 1.00 31.13 N ATOM 1803 CA GLU A 119 4.228 -55.351 11.824 1.00 70.31 C ATOM 1804 C GLU A 119 3.488 -54.171 11.201 1.00 1.34 C ATOM 1805 O GLU A 119 3.474 -54.008 9.982 1.00 73.22 O ATOM 1806 CB GLU A 119 3.273 -56.535 11.990 1.00 21.33 C ATOM 1807 CG GLU A 119 2.757 -57.091 10.673 1.00 1.35 C ATOM 1808 CD GLU A 119 1.972 -58.376 10.850 1.00 13.31 C ATOM 1809 OE1 GLU A 119 2.602 -59.432 11.064 1.00 32.21 O ATOM 1810 OE2 GLU A 119 0.726 -58.324 10.774 1.00 21.13 O ATOM 0 H GLU A 119 4.376 -55.439 13.914 1.00 31.13 H new ATOM 0 HA GLU A 119 5.042 -55.640 11.159 1.00 70.31 H new ATOM 0 HB2 GLU A 119 3.784 -57.329 12.535 1.00 21.33 H new ATOM 0 HB3 GLU A 119 2.425 -56.224 12.600 1.00 21.33 H new ATOM 0 HG2 GLU A 119 2.123 -56.346 10.192 1.00 1.35 H new ATOM 0 HG3 GLU A 119 3.599 -57.273 10.005 1.00 1.35 H new ATOM 1817 N GLU A 120 2.875 -53.351 12.049 1.00 13.40 N ATOM 1818 CA GLU A 120 2.132 -52.186 11.582 1.00 73.22 C ATOM 1819 C GLU A 120 3.071 -51.152 10.967 1.00 32.31 C ATOM 1820 O GLU A 120 2.770 -50.563 9.929 1.00 72.53 O ATOM 1821 CB GLU A 120 1.348 -51.557 12.735 1.00 33.24 C ATOM 1822 CG GLU A 120 0.253 -50.607 12.281 1.00 40.35 C ATOM 1823 CD GLU A 120 -0.689 -51.240 11.275 1.00 44.13 C ATOM 1824 OE1 GLU A 120 -1.079 -52.408 11.482 1.00 23.11 O ATOM 1825 OE2 GLU A 120 -1.035 -50.568 10.281 1.00 60.33 O ATOM 0 H GLU A 120 2.878 -53.472 13.062 1.00 13.40 H new ATOM 0 HA GLU A 120 1.432 -52.518 10.815 1.00 73.22 H new ATOM 0 HB2 GLU A 120 0.903 -52.350 13.336 1.00 33.24 H new ATOM 0 HB3 GLU A 120 2.040 -51.018 13.382 1.00 33.24 H new ATOM 0 HG2 GLU A 120 -0.318 -50.275 13.148 1.00 40.35 H new ATOM 0 HG3 GLU A 120 0.707 -49.720 11.840 1.00 40.35 H new ATOM 1832 N VAL A 121 4.210 -50.936 11.617 1.00 63.34 N ATOM 1833 CA VAL A 121 5.194 -49.974 11.135 1.00 64.41 C ATOM 1834 C VAL A 121 5.695 -50.350 9.745 1.00 62.02 C ATOM 1835 O VAL A 121 5.982 -49.481 8.921 1.00 11.13 O ATOM 1836 CB VAL A 121 6.397 -49.875 12.092 1.00 11.41 C ATOM 1837 CG1 VAL A 121 7.412 -48.869 11.571 1.00 2.23 C ATOM 1838 CG2 VAL A 121 5.933 -49.501 13.492 1.00 45.41 C ATOM 0 H VAL A 121 4.474 -51.414 12.478 1.00 63.34 H new ATOM 0 HA VAL A 121 4.694 -49.006 11.089 1.00 64.41 H new ATOM 0 HB VAL A 121 6.881 -50.850 12.143 1.00 11.41 H new ATOM 0 HG11 VAL A 121 8.255 -48.812 12.260 1.00 2.23 H new ATOM 0 HG12 VAL A 121 7.766 -49.184 10.590 1.00 2.23 H new ATOM 0 HG13 VAL A 121 6.943 -47.888 11.490 1.00 2.23 H new ATOM 0 HG21 VAL A 121 6.795 -49.435 14.156 1.00 45.41 H new ATOM 0 HG22 VAL A 121 5.424 -48.537 13.461 1.00 45.41 H new ATOM 0 HG23 VAL A 121 5.247 -50.262 13.863 1.00 45.41 H new ATOM 1848 N ASP A 122 5.797 -51.650 9.490 1.00 5.22 N ATOM 1849 CA ASP A 122 6.262 -52.142 8.198 1.00 3.44 C ATOM 1850 C ASP A 122 5.471 -51.507 7.059 1.00 63.13 C ATOM 1851 O ASP A 122 6.047 -51.045 6.074 1.00 15.32 O ATOM 1852 CB ASP A 122 6.140 -53.665 8.135 1.00 51.25 C ATOM 1853 CG ASP A 122 6.509 -54.219 6.772 1.00 12.34 C ATOM 1854 OD1 ASP A 122 7.718 -54.381 6.505 1.00 21.11 O ATOM 1855 OD2 ASP A 122 5.588 -54.491 5.974 1.00 42.42 O ATOM 0 H ASP A 122 5.564 -52.382 10.161 1.00 5.22 H new ATOM 0 HA ASP A 122 7.310 -51.865 8.086 1.00 3.44 H new ATOM 0 HB2 ASP A 122 6.786 -54.110 8.892 1.00 51.25 H new ATOM 0 HB3 ASP A 122 5.118 -53.955 8.377 1.00 51.25 H new ATOM 1860 N GLU A 123 4.150 -51.490 7.200 1.00 75.30 N ATOM 1861 CA GLU A 123 3.280 -50.914 6.181 1.00 63.33 C ATOM 1862 C GLU A 123 3.639 -49.454 5.922 1.00 41.13 C ATOM 1863 O GLU A 123 3.448 -48.943 4.818 1.00 23.34 O ATOM 1864 CB GLU A 123 1.815 -51.023 6.608 1.00 50.13 C ATOM 1865 CG GLU A 123 0.831 -50.729 5.488 1.00 42.43 C ATOM 1866 CD GLU A 123 0.699 -51.880 4.510 1.00 34.32 C ATOM 1867 OE1 GLU A 123 1.078 -53.013 4.872 1.00 23.33 O ATOM 1868 OE2 GLU A 123 0.214 -51.648 3.383 1.00 43.33 O ATOM 0 H GLU A 123 3.658 -51.868 8.010 1.00 75.30 H new ATOM 0 HA GLU A 123 3.424 -51.475 5.258 1.00 63.33 H new ATOM 0 HB2 GLU A 123 1.630 -52.028 6.988 1.00 50.13 H new ATOM 0 HB3 GLU A 123 1.633 -50.332 7.431 1.00 50.13 H new ATOM 0 HG2 GLU A 123 -0.146 -50.508 5.917 1.00 42.43 H new ATOM 0 HG3 GLU A 123 1.153 -49.836 4.952 1.00 42.43 H new ATOM 1875 N MET A 124 4.159 -48.788 6.947 1.00 2.33 N ATOM 1876 CA MET A 124 4.545 -47.386 6.831 1.00 64.21 C ATOM 1877 C MET A 124 5.855 -47.245 6.062 1.00 24.43 C ATOM 1878 O MET A 124 5.913 -46.568 5.035 1.00 24.34 O ATOM 1879 CB MET A 124 4.684 -46.756 8.218 1.00 22.32 C ATOM 1880 CG MET A 124 3.456 -46.940 9.095 1.00 71.23 C ATOM 1881 SD MET A 124 3.363 -45.725 10.424 1.00 73.05 S ATOM 1882 CE MET A 124 3.044 -44.229 9.492 1.00 11.32 C ATOM 0 H MET A 124 4.323 -49.196 7.867 1.00 2.33 H new ATOM 0 HA MET A 124 3.762 -46.864 6.280 1.00 64.21 H new ATOM 0 HB2 MET A 124 5.548 -47.191 8.721 1.00 22.32 H new ATOM 0 HB3 MET A 124 4.884 -45.690 8.106 1.00 22.32 H new ATOM 0 HG2 MET A 124 2.560 -46.868 8.479 1.00 71.23 H new ATOM 0 HG3 MET A 124 3.468 -47.942 9.524 1.00 71.23 H new ATOM 0 HE1 MET A 124 2.428 -43.555 10.086 1.00 11.32 H new ATOM 0 HE2 MET A 124 3.989 -43.741 9.253 1.00 11.32 H new ATOM 0 HE3 MET A 124 2.521 -44.480 8.569 1.00 11.32 H new ATOM 1892 N ILE A 125 6.904 -47.888 6.566 1.00 53.01 N ATOM 1893 CA ILE A 125 8.212 -47.834 5.926 1.00 70.14 C ATOM 1894 C ILE A 125 8.124 -48.248 4.460 1.00 3.34 C ATOM 1895 O ILE A 125 8.835 -47.712 3.610 1.00 51.50 O ATOM 1896 CB ILE A 125 9.228 -48.742 6.644 1.00 40.14 C ATOM 1897 CG1 ILE A 125 9.469 -48.246 8.071 1.00 53.22 C ATOM 1898 CG2 ILE A 125 10.535 -48.792 5.867 1.00 42.21 C ATOM 1899 CD1 ILE A 125 10.165 -46.904 8.135 1.00 73.31 C ATOM 0 H ILE A 125 6.873 -48.452 7.415 1.00 53.01 H new ATOM 0 HA ILE A 125 8.552 -46.800 5.990 1.00 70.14 H new ATOM 0 HB ILE A 125 8.819 -49.751 6.695 1.00 40.14 H new ATOM 0 HG12 ILE A 125 8.512 -48.175 8.589 1.00 53.22 H new ATOM 0 HG13 ILE A 125 10.068 -48.983 8.607 1.00 53.22 H new ATOM 0 HG21 ILE A 125 11.243 -49.438 6.387 1.00 42.21 H new ATOM 0 HG22 ILE A 125 10.350 -49.187 4.868 1.00 42.21 H new ATOM 0 HG23 ILE A 125 10.950 -47.787 5.788 1.00 42.21 H new ATOM 0 HD11 ILE A 125 10.303 -46.615 9.177 1.00 73.31 H new ATOM 0 HD12 ILE A 125 11.137 -46.974 7.646 1.00 73.31 H new ATOM 0 HD13 ILE A 125 9.557 -46.154 7.628 1.00 73.31 H new ATOM 1911 N ARG A 126 7.247 -49.203 4.172 1.00 33.25 N ATOM 1912 CA ARG A 126 7.065 -49.688 2.810 1.00 61.43 C ATOM 1913 C ARG A 126 6.416 -48.620 1.934 1.00 31.43 C ATOM 1914 O ARG A 126 6.676 -48.547 0.734 1.00 52.31 O ATOM 1915 CB ARG A 126 6.208 -50.956 2.807 1.00 42.33 C ATOM 1916 CG ARG A 126 6.259 -51.722 1.495 1.00 32.12 C ATOM 1917 CD ARG A 126 5.687 -53.123 1.646 1.00 30.02 C ATOM 1918 NE ARG A 126 6.560 -53.989 2.435 1.00 50.54 N ATOM 1919 CZ ARG A 126 7.631 -54.599 1.940 1.00 71.12 C ATOM 1920 NH1 ARG A 126 7.959 -54.439 0.665 1.00 25.53 N ATOM 1921 NH2 ARG A 126 8.376 -55.371 2.721 1.00 60.04 N ATOM 0 H ARG A 126 6.651 -49.657 4.864 1.00 33.25 H new ATOM 0 HA ARG A 126 8.048 -49.921 2.400 1.00 61.43 H new ATOM 0 HB2 ARG A 126 6.539 -51.610 3.613 1.00 42.33 H new ATOM 0 HB3 ARG A 126 5.174 -50.686 3.020 1.00 42.33 H new ATOM 0 HG2 ARG A 126 5.699 -51.179 0.733 1.00 32.12 H new ATOM 0 HG3 ARG A 126 7.291 -51.784 1.148 1.00 32.12 H new ATOM 0 HD2 ARG A 126 4.708 -53.065 2.121 1.00 30.02 H new ATOM 0 HD3 ARG A 126 5.537 -53.562 0.659 1.00 30.02 H new ATOM 0 HE ARG A 126 6.335 -54.133 3.419 1.00 50.54 H new ATOM 0 HH11 ARG A 126 7.388 -53.846 0.062 1.00 25.53 H new ATOM 0 HH12 ARG A 126 8.782 -54.909 0.287 1.00 25.53 H new ATOM 0 HH21 ARG A 126 8.126 -55.496 3.702 1.00 60.04 H new ATOM 0 HH22 ARG A 126 9.198 -55.839 2.340 1.00 60.04 H new ATOM 1935 N GLU A 127 5.570 -47.796 2.545 1.00 43.04 N ATOM 1936 CA GLU A 127 4.883 -46.733 1.820 1.00 63.42 C ATOM 1937 C GLU A 127 5.864 -45.648 1.387 1.00 4.30 C ATOM 1938 O GLU A 127 5.775 -45.122 0.278 1.00 64.32 O ATOM 1939 CB GLU A 127 3.781 -46.123 2.688 1.00 21.42 C ATOM 1940 CG GLU A 127 2.732 -45.362 1.895 1.00 45.01 C ATOM 1941 CD GLU A 127 1.867 -46.274 1.047 1.00 14.42 C ATOM 1942 OE1 GLU A 127 0.927 -46.882 1.600 1.00 72.55 O ATOM 1943 OE2 GLU A 127 2.129 -46.378 -0.169 1.00 43.54 O ATOM 0 H GLU A 127 5.344 -47.844 3.539 1.00 43.04 H new ATOM 0 HA GLU A 127 4.433 -47.169 0.928 1.00 63.42 H new ATOM 0 HB2 GLU A 127 3.292 -46.918 3.251 1.00 21.42 H new ATOM 0 HB3 GLU A 127 4.234 -45.449 3.415 1.00 21.42 H new ATOM 0 HG2 GLU A 127 2.098 -44.802 2.582 1.00 45.01 H new ATOM 0 HG3 GLU A 127 3.226 -44.634 1.251 1.00 45.01 H new ATOM 1950 N ALA A 128 6.799 -45.317 2.272 1.00 45.35 N ATOM 1951 CA ALA A 128 7.798 -44.295 1.981 1.00 21.44 C ATOM 1952 C ALA A 128 8.969 -44.879 1.198 1.00 21.34 C ATOM 1953 O ALA A 128 9.638 -44.172 0.445 1.00 62.55 O ATOM 1954 CB ALA A 128 8.290 -43.656 3.272 1.00 73.33 C ATOM 0 H ALA A 128 6.886 -45.741 3.196 1.00 45.35 H new ATOM 0 HA ALA A 128 7.329 -43.528 1.364 1.00 21.44 H new ATOM 0 HB1 ALA A 128 9.035 -42.895 3.040 1.00 73.33 H new ATOM 0 HB2 ALA A 128 7.451 -43.195 3.793 1.00 73.33 H new ATOM 0 HB3 ALA A 128 8.737 -44.420 3.909 1.00 73.33 H new ATOM 1960 N ASP A 129 9.212 -46.172 1.383 1.00 73.34 N ATOM 1961 CA ASP A 129 10.302 -46.852 0.693 1.00 44.51 C ATOM 1962 C ASP A 129 9.954 -47.088 -0.773 1.00 62.24 C ATOM 1963 O ASP A 129 9.441 -48.147 -1.136 1.00 65.24 O ATOM 1964 CB ASP A 129 10.616 -48.183 1.377 1.00 60.12 C ATOM 1965 CG ASP A 129 11.857 -48.846 0.812 1.00 51.02 C ATOM 1966 OD1 ASP A 129 12.645 -48.152 0.136 1.00 61.04 O ATOM 1967 OD2 ASP A 129 12.040 -50.059 1.047 1.00 43.55 O ATOM 0 H ASP A 129 8.669 -46.770 2.005 1.00 73.34 H new ATOM 0 HA ASP A 129 11.183 -46.212 0.740 1.00 44.51 H new ATOM 0 HB2 ASP A 129 10.751 -48.016 2.446 1.00 60.12 H new ATOM 0 HB3 ASP A 129 9.765 -48.855 1.265 1.00 60.12 H new ATOM 1972 N ILE A 130 10.235 -46.095 -1.611 1.00 22.44 N ATOM 1973 CA ILE A 130 9.952 -46.196 -3.037 1.00 34.12 C ATOM 1974 C ILE A 130 11.029 -47.001 -3.756 1.00 50.41 C ATOM 1975 O ILE A 130 10.727 -47.872 -4.572 1.00 11.12 O ATOM 1976 CB ILE A 130 9.844 -44.805 -3.689 1.00 22.00 C ATOM 1977 CG1 ILE A 130 8.713 -44.001 -3.044 1.00 61.41 C ATOM 1978 CG2 ILE A 130 9.619 -44.939 -5.188 1.00 13.34 C ATOM 1979 CD1 ILE A 130 8.657 -42.561 -3.503 1.00 25.00 C ATOM 0 H ILE A 130 10.658 -45.212 -1.326 1.00 22.44 H new ATOM 0 HA ILE A 130 8.995 -46.708 -3.133 1.00 34.12 H new ATOM 0 HB ILE A 130 10.780 -44.271 -3.528 1.00 22.00 H new ATOM 0 HG12 ILE A 130 7.762 -44.483 -3.269 1.00 61.41 H new ATOM 0 HG13 ILE A 130 8.834 -44.024 -1.961 1.00 61.41 H new ATOM 0 HG21 ILE A 130 9.545 -43.948 -5.635 1.00 13.34 H new ATOM 0 HG22 ILE A 130 10.455 -45.477 -5.635 1.00 13.34 H new ATOM 0 HG23 ILE A 130 8.696 -45.489 -5.370 1.00 13.34 H new ATOM 0 HD11 ILE A 130 7.832 -42.052 -3.005 1.00 25.00 H new ATOM 0 HD12 ILE A 130 9.594 -42.063 -3.253 1.00 25.00 H new ATOM 0 HD13 ILE A 130 8.505 -42.529 -4.582 1.00 25.00 H new ATOM 1991 N ASP A 131 12.286 -46.704 -3.447 1.00 4.20 N ATOM 1992 CA ASP A 131 13.410 -47.401 -4.062 1.00 31.44 C ATOM 1993 C ASP A 131 13.512 -48.832 -3.541 1.00 10.40 C ATOM 1994 O ASP A 131 14.290 -49.635 -4.053 1.00 23.33 O ATOM 1995 CB ASP A 131 14.715 -46.652 -3.788 1.00 54.41 C ATOM 1996 CG ASP A 131 14.906 -46.340 -2.317 1.00 13.22 C ATOM 1997 OD1 ASP A 131 14.388 -47.105 -1.476 1.00 1.42 O ATOM 1998 OD2 ASP A 131 15.574 -45.332 -2.006 1.00 53.33 O ATOM 0 H ASP A 131 12.553 -45.985 -2.774 1.00 4.20 H new ATOM 0 HA ASP A 131 13.239 -47.435 -5.138 1.00 31.44 H new ATOM 0 HB2 ASP A 131 15.555 -47.250 -4.141 1.00 54.41 H new ATOM 0 HB3 ASP A 131 14.724 -45.723 -4.358 1.00 54.41 H new ATOM 2003 N GLY A 132 12.720 -49.142 -2.519 1.00 24.04 N ATOM 2004 CA GLY A 132 12.738 -50.475 -1.945 1.00 2.23 C ATOM 2005 C GLY A 132 14.080 -50.825 -1.334 1.00 24.05 C ATOM 2006 O GLY A 132 14.581 -51.935 -1.513 1.00 30.42 O ATOM 0 H GLY A 132 12.067 -48.494 -2.079 1.00 24.04 H new ATOM 0 HA2 GLY A 132 11.964 -50.549 -1.181 1.00 2.23 H new ATOM 0 HA3 GLY A 132 12.493 -51.203 -2.718 1.00 2.23 H new ATOM 2010 N ASP A 133 14.665 -49.876 -0.611 1.00 45.13 N ATOM 2011 CA ASP A 133 15.959 -50.089 0.028 1.00 73.30 C ATOM 2012 C ASP A 133 15.784 -50.679 1.424 1.00 70.10 C ATOM 2013 O ASP A 133 16.731 -51.198 2.013 1.00 44.03 O ATOM 2014 CB ASP A 133 16.734 -48.774 0.110 1.00 3.31 C ATOM 2015 CG ASP A 133 16.137 -47.811 1.118 1.00 70.32 C ATOM 2016 OD1 ASP A 133 14.916 -47.895 1.367 1.00 51.10 O ATOM 2017 OD2 ASP A 133 16.891 -46.975 1.658 1.00 73.20 O ATOM 0 H ASP A 133 14.264 -48.952 -0.453 1.00 45.13 H new ATOM 0 HA ASP A 133 16.524 -50.797 -0.578 1.00 73.30 H new ATOM 0 HB2 ASP A 133 17.769 -48.982 0.380 1.00 3.31 H new ATOM 0 HB3 ASP A 133 16.749 -48.303 -0.873 1.00 3.31 H new ATOM 2022 N GLY A 134 14.565 -50.594 1.949 1.00 61.54 N ATOM 2023 CA GLY A 134 14.289 -51.123 3.272 1.00 53.42 C ATOM 2024 C GLY A 134 14.263 -50.041 4.334 1.00 63.41 C ATOM 2025 O GLY A 134 14.141 -50.334 5.523 1.00 63.21 O ATOM 0 H GLY A 134 13.764 -50.168 1.482 1.00 61.54 H new ATOM 0 HA2 GLY A 134 13.329 -51.640 3.261 1.00 53.42 H new ATOM 0 HA3 GLY A 134 15.047 -51.863 3.530 1.00 53.42 H new ATOM 2029 N GLN A 135 14.380 -48.789 3.904 1.00 24.12 N ATOM 2030 CA GLN A 135 14.373 -47.661 4.828 1.00 33.12 C ATOM 2031 C GLN A 135 13.778 -46.421 4.169 1.00 74.42 C ATOM 2032 O GLN A 135 13.511 -46.412 2.967 1.00 44.02 O ATOM 2033 CB GLN A 135 15.792 -47.363 5.314 1.00 21.23 C ATOM 2034 CG GLN A 135 15.851 -46.859 6.747 1.00 1.22 C ATOM 2035 CD GLN A 135 17.100 -47.315 7.475 1.00 1.14 C ATOM 2036 OE1 GLN A 135 17.591 -48.423 7.256 1.00 11.31 O ATOM 2037 NE2 GLN A 135 17.622 -46.461 8.348 1.00 11.11 N ATOM 0 H GLN A 135 14.481 -48.530 2.923 1.00 24.12 H new ATOM 0 HA GLN A 135 13.753 -47.929 5.683 1.00 33.12 H new ATOM 0 HB2 GLN A 135 16.393 -48.268 5.231 1.00 21.23 H new ATOM 0 HB3 GLN A 135 16.243 -46.619 4.657 1.00 21.23 H new ATOM 0 HG2 GLN A 135 15.812 -45.770 6.747 1.00 1.22 H new ATOM 0 HG3 GLN A 135 14.972 -47.209 7.288 1.00 1.22 H new ATOM 0 HE21 GLN A 135 17.182 -45.553 8.498 1.00 11.11 H new ATOM 0 HE22 GLN A 135 18.462 -46.713 8.868 1.00 11.11 H new ATOM 2046 N VAL A 136 13.571 -45.376 4.963 1.00 34.04 N ATOM 2047 CA VAL A 136 13.007 -44.130 4.457 1.00 65.22 C ATOM 2048 C VAL A 136 14.026 -42.998 4.527 1.00 61.10 C ATOM 2049 O VAL A 136 14.456 -42.603 5.610 1.00 51.44 O ATOM 2050 CB VAL A 136 11.748 -43.722 5.244 1.00 21.52 C ATOM 2051 CG1 VAL A 136 11.199 -42.402 4.727 1.00 40.42 C ATOM 2052 CG2 VAL A 136 10.693 -44.816 5.164 1.00 2.44 C ATOM 0 H VAL A 136 13.785 -45.367 5.960 1.00 34.04 H new ATOM 0 HA VAL A 136 12.734 -44.306 3.417 1.00 65.22 H new ATOM 0 HB VAL A 136 12.022 -43.588 6.290 1.00 21.52 H new ATOM 0 HG11 VAL A 136 10.310 -42.130 5.295 1.00 40.42 H new ATOM 0 HG12 VAL A 136 11.954 -41.624 4.841 1.00 40.42 H new ATOM 0 HG13 VAL A 136 10.939 -42.504 3.673 1.00 40.42 H new ATOM 0 HG21 VAL A 136 9.810 -44.512 5.726 1.00 2.44 H new ATOM 0 HG22 VAL A 136 10.421 -44.983 4.122 1.00 2.44 H new ATOM 0 HG23 VAL A 136 11.092 -45.738 5.587 1.00 2.44 H new ATOM 2062 N ASN A 137 14.408 -42.480 3.364 1.00 30.20 N ATOM 2063 CA ASN A 137 15.377 -41.392 3.293 1.00 31.52 C ATOM 2064 C ASN A 137 14.673 -40.040 3.245 1.00 44.40 C ATOM 2065 O ASN A 137 13.461 -39.965 3.044 1.00 60.44 O ATOM 2066 CB ASN A 137 16.272 -41.558 2.064 1.00 61.55 C ATOM 2067 CG ASN A 137 15.505 -41.405 0.765 1.00 53.44 C ATOM 2068 OD1 ASN A 137 14.276 -41.474 0.745 1.00 73.11 O ATOM 2069 ND2 ASN A 137 16.228 -41.195 -0.329 1.00 5.42 N ATOM 0 H ASN A 137 14.062 -42.796 2.458 1.00 30.20 H new ATOM 0 HA ASN A 137 15.994 -41.429 4.191 1.00 31.52 H new ATOM 0 HB2 ASN A 137 17.073 -40.820 2.099 1.00 61.55 H new ATOM 0 HB3 ASN A 137 16.743 -42.541 2.091 1.00 61.55 H new ATOM 0 HD21 ASN A 137 15.766 -41.084 -1.232 1.00 5.42 H new ATOM 0 HD22 ASN A 137 17.245 -41.145 -0.266 1.00 5.42 H new ATOM 2076 N TYR A 138 15.442 -38.972 3.431 1.00 63.45 N ATOM 2077 CA TYR A 138 14.893 -37.622 3.410 1.00 2.11 C ATOM 2078 C TYR A 138 14.099 -37.376 2.131 1.00 42.12 C ATOM 2079 O TYR A 138 13.025 -36.777 2.160 1.00 11.43 O ATOM 2080 CB TYR A 138 16.016 -36.590 3.533 1.00 31.31 C ATOM 2081 CG TYR A 138 15.526 -35.160 3.545 1.00 75.13 C ATOM 2082 CD1 TYR A 138 14.724 -34.688 4.577 1.00 41.24 C ATOM 2083 CD2 TYR A 138 15.865 -34.281 2.524 1.00 53.43 C ATOM 2084 CE1 TYR A 138 14.273 -33.382 4.591 1.00 63.14 C ATOM 2085 CE2 TYR A 138 15.420 -32.973 2.530 1.00 13.23 C ATOM 2086 CZ TYR A 138 14.624 -32.528 3.565 1.00 31.55 C ATOM 2087 OH TYR A 138 14.178 -31.227 3.577 1.00 50.34 O ATOM 0 H TYR A 138 16.447 -39.016 3.598 1.00 63.45 H new ATOM 0 HA TYR A 138 14.219 -37.519 4.260 1.00 2.11 H new ATOM 0 HB2 TYR A 138 16.575 -36.781 4.449 1.00 31.31 H new ATOM 0 HB3 TYR A 138 16.710 -36.720 2.703 1.00 31.31 H new ATOM 0 HD1 TYR A 138 14.448 -35.353 5.382 1.00 41.24 H new ATOM 0 HD2 TYR A 138 16.487 -34.626 1.711 1.00 53.43 H new ATOM 0 HE1 TYR A 138 13.649 -33.031 5.400 1.00 63.14 H new ATOM 0 HE2 TYR A 138 15.694 -32.303 1.729 1.00 13.23 H new ATOM 0 HH TYR A 138 14.832 -30.653 3.127 1.00 50.34 H new ATOM 2097 N GLU A 139 14.637 -37.844 1.009 1.00 61.11 N ATOM 2098 CA GLU A 139 13.979 -37.675 -0.281 1.00 63.14 C ATOM 2099 C GLU A 139 12.576 -38.275 -0.260 1.00 25.32 C ATOM 2100 O GLU A 139 11.636 -37.700 -0.806 1.00 41.20 O ATOM 2101 CB GLU A 139 14.808 -38.327 -1.391 1.00 13.25 C ATOM 2102 CG GLU A 139 14.354 -37.950 -2.791 1.00 10.22 C ATOM 2103 CD GLU A 139 14.666 -36.507 -3.136 1.00 51.33 C ATOM 2104 OE1 GLU A 139 15.786 -36.051 -2.827 1.00 4.21 O ATOM 2105 OE2 GLU A 139 13.789 -35.833 -3.717 1.00 34.42 O ATOM 0 H GLU A 139 15.526 -38.343 0.967 1.00 61.11 H new ATOM 0 HA GLU A 139 13.895 -36.606 -0.479 1.00 63.14 H new ATOM 0 HB2 GLU A 139 15.853 -38.042 -1.268 1.00 13.25 H new ATOM 0 HB3 GLU A 139 14.758 -39.410 -1.281 1.00 13.25 H new ATOM 0 HG2 GLU A 139 14.838 -38.606 -3.515 1.00 10.22 H new ATOM 0 HG3 GLU A 139 13.280 -38.117 -2.878 1.00 10.22 H new ATOM 2112 N GLU A 140 12.446 -39.436 0.375 1.00 75.10 N ATOM 2113 CA GLU A 140 11.158 -40.115 0.466 1.00 3.15 C ATOM 2114 C GLU A 140 10.282 -39.477 1.541 1.00 60.22 C ATOM 2115 O GLU A 140 9.055 -39.485 1.442 1.00 32.01 O ATOM 2116 CB GLU A 140 11.361 -41.600 0.773 1.00 34.32 C ATOM 2117 CG GLU A 140 11.772 -42.421 -0.437 1.00 65.22 C ATOM 2118 CD GLU A 140 12.633 -43.614 -0.068 1.00 3.41 C ATOM 2119 OE1 GLU A 140 12.764 -43.898 1.141 1.00 30.41 O ATOM 2120 OE2 GLU A 140 13.176 -44.262 -0.987 1.00 1.41 O ATOM 0 H GLU A 140 13.215 -39.925 0.833 1.00 75.10 H new ATOM 0 HA GLU A 140 10.654 -40.015 -0.495 1.00 3.15 H new ATOM 0 HB2 GLU A 140 12.123 -41.702 1.546 1.00 34.32 H new ATOM 0 HB3 GLU A 140 10.436 -42.008 1.181 1.00 34.32 H new ATOM 0 HG2 GLU A 140 10.879 -42.769 -0.956 1.00 65.22 H new ATOM 0 HG3 GLU A 140 12.318 -41.785 -1.134 1.00 65.22 H new ATOM 2127 N PHE A 141 10.921 -38.926 2.567 1.00 24.01 N ATOM 2128 CA PHE A 141 10.201 -38.285 3.661 1.00 24.34 C ATOM 2129 C PHE A 141 9.594 -36.960 3.211 1.00 72.15 C ATOM 2130 O PHE A 141 8.492 -36.598 3.622 1.00 54.40 O ATOM 2131 CB PHE A 141 11.138 -38.052 4.849 1.00 72.12 C ATOM 2132 CG PHE A 141 10.475 -37.368 6.010 1.00 54.11 C ATOM 2133 CD1 PHE A 141 10.412 -35.985 6.072 1.00 31.14 C ATOM 2134 CD2 PHE A 141 9.914 -38.107 7.039 1.00 74.45 C ATOM 2135 CE1 PHE A 141 9.803 -35.353 7.140 1.00 31.21 C ATOM 2136 CE2 PHE A 141 9.303 -37.481 8.109 1.00 51.13 C ATOM 2137 CZ PHE A 141 9.247 -36.102 8.159 1.00 53.12 C ATOM 0 H PHE A 141 11.936 -38.910 2.664 1.00 24.01 H new ATOM 0 HA PHE A 141 9.393 -38.949 3.968 1.00 24.34 H new ATOM 0 HB2 PHE A 141 11.536 -39.011 5.181 1.00 72.12 H new ATOM 0 HB3 PHE A 141 11.986 -37.452 4.520 1.00 72.12 H new ATOM 0 HD1 PHE A 141 10.843 -35.395 5.277 1.00 31.14 H new ATOM 0 HD2 PHE A 141 9.955 -39.186 7.005 1.00 74.45 H new ATOM 0 HE1 PHE A 141 9.762 -34.274 7.178 1.00 31.21 H new ATOM 0 HE2 PHE A 141 8.870 -38.069 8.905 1.00 51.13 H new ATOM 0 HZ PHE A 141 8.769 -35.610 8.993 1.00 53.12 H new ATOM 2147 N VAL A 142 10.322 -36.241 2.362 1.00 15.52 N ATOM 2148 CA VAL A 142 9.855 -34.956 1.854 1.00 5.23 C ATOM 2149 C VAL A 142 8.605 -35.124 0.998 1.00 23.12 C ATOM 2150 O VAL A 142 7.642 -34.371 1.135 1.00 0.42 O ATOM 2151 CB VAL A 142 10.944 -34.253 1.021 1.00 21.33 C ATOM 2152 CG1 VAL A 142 10.419 -32.944 0.452 1.00 62.12 C ATOM 2153 CG2 VAL A 142 12.189 -34.017 1.863 1.00 30.00 C ATOM 0 H VAL A 142 11.237 -36.526 2.012 1.00 15.52 H new ATOM 0 HA VAL A 142 9.617 -34.340 2.721 1.00 5.23 H new ATOM 0 HB VAL A 142 11.215 -34.901 0.187 1.00 21.33 H new ATOM 0 HG11 VAL A 142 11.202 -32.462 -0.133 1.00 62.12 H new ATOM 0 HG12 VAL A 142 9.559 -33.144 -0.187 1.00 62.12 H new ATOM 0 HG13 VAL A 142 10.119 -32.287 1.268 1.00 62.12 H new ATOM 0 HG21 VAL A 142 12.948 -33.520 1.259 1.00 30.00 H new ATOM 0 HG22 VAL A 142 11.937 -33.389 2.718 1.00 30.00 H new ATOM 0 HG23 VAL A 142 12.576 -34.973 2.217 1.00 30.00 H new ATOM 2163 N GLN A 143 8.628 -36.118 0.116 1.00 44.43 N ATOM 2164 CA GLN A 143 7.496 -36.385 -0.763 1.00 40.52 C ATOM 2165 C GLN A 143 6.261 -36.774 0.043 1.00 63.22 C ATOM 2166 O GLN A 143 5.131 -36.551 -0.389 1.00 33.31 O ATOM 2167 CB GLN A 143 7.844 -37.496 -1.755 1.00 10.01 C ATOM 2168 CG GLN A 143 6.885 -37.584 -2.931 1.00 32.20 C ATOM 2169 CD GLN A 143 7.329 -38.593 -3.972 1.00 11.11 C ATOM 2170 OE1 GLN A 143 7.646 -39.738 -3.648 1.00 53.10 O ATOM 2171 NE2 GLN A 143 7.354 -38.172 -5.231 1.00 61.42 N ATOM 0 H GLN A 143 9.418 -36.751 -0.009 1.00 44.43 H new ATOM 0 HA GLN A 143 7.274 -35.472 -1.315 1.00 40.52 H new ATOM 0 HB2 GLN A 143 8.854 -37.332 -2.132 1.00 10.01 H new ATOM 0 HB3 GLN A 143 7.851 -38.451 -1.230 1.00 10.01 H new ATOM 0 HG2 GLN A 143 5.894 -37.855 -2.567 1.00 32.20 H new ATOM 0 HG3 GLN A 143 6.796 -36.602 -3.397 1.00 32.20 H new ATOM 0 HE21 GLN A 143 7.083 -37.214 -5.454 1.00 61.42 H new ATOM 0 HE22 GLN A 143 7.644 -38.806 -5.975 1.00 61.42 H new ATOM 2180 N MET A 144 6.486 -37.358 1.216 1.00 43.34 N ATOM 2181 CA MET A 144 5.391 -37.778 2.082 1.00 2.42 C ATOM 2182 C MET A 144 4.744 -36.575 2.762 1.00 22.22 C ATOM 2183 O MET A 144 3.534 -36.372 2.665 1.00 64.23 O ATOM 2184 CB MET A 144 5.897 -38.764 3.137 1.00 54.10 C ATOM 2185 CG MET A 144 4.786 -39.542 3.823 1.00 33.20 C ATOM 2186 SD MET A 144 4.444 -41.119 3.019 1.00 74.32 S ATOM 2187 CE MET A 144 2.680 -40.982 2.741 1.00 75.01 C ATOM 0 H MET A 144 7.416 -37.551 1.588 1.00 43.34 H new ATOM 0 HA MET A 144 4.640 -38.271 1.464 1.00 2.42 H new ATOM 0 HB2 MET A 144 6.584 -39.467 2.666 1.00 54.10 H new ATOM 0 HB3 MET A 144 6.466 -38.218 3.890 1.00 54.10 H new ATOM 0 HG2 MET A 144 5.061 -39.721 4.862 1.00 33.20 H new ATOM 0 HG3 MET A 144 3.878 -38.939 3.833 1.00 33.20 H new ATOM 0 HE1 MET A 144 2.178 -41.857 3.154 1.00 75.01 H new ATOM 0 HE2 MET A 144 2.304 -40.083 3.229 1.00 75.01 H new ATOM 0 HE3 MET A 144 2.484 -40.923 1.670 1.00 75.01 H new ATOM 2197 N MET A 145 5.558 -35.782 3.451 1.00 41.42 N ATOM 2198 CA MET A 145 5.064 -34.599 4.146 1.00 52.20 C ATOM 2199 C MET A 145 4.540 -33.565 3.154 1.00 0.35 C ATOM 2200 O MET A 145 3.666 -32.762 3.482 1.00 15.22 O ATOM 2201 CB MET A 145 6.172 -33.985 5.003 1.00 0.35 C ATOM 2202 CG MET A 145 5.663 -32.987 6.031 1.00 31.12 C ATOM 2203 SD MET A 145 6.685 -32.936 7.516 1.00 60.43 S ATOM 2204 CE MET A 145 6.251 -34.497 8.279 1.00 33.43 C ATOM 0 H MET A 145 6.562 -35.937 3.543 1.00 41.42 H new ATOM 0 HA MET A 145 4.242 -34.905 4.793 1.00 52.20 H new ATOM 0 HB2 MET A 145 6.707 -34.783 5.518 1.00 0.35 H new ATOM 0 HB3 MET A 145 6.891 -33.488 4.351 1.00 0.35 H new ATOM 0 HG2 MET A 145 5.631 -31.994 5.583 1.00 31.12 H new ATOM 0 HG3 MET A 145 4.641 -33.245 6.307 1.00 31.12 H new ATOM 0 HE1 MET A 145 6.735 -34.573 9.253 1.00 33.43 H new ATOM 0 HE2 MET A 145 5.170 -34.552 8.405 1.00 33.43 H new ATOM 0 HE3 MET A 145 6.584 -35.318 7.644 1.00 33.43 H new ATOM 2214 N THR A 146 5.080 -33.589 1.940 1.00 43.21 N ATOM 2215 CA THR A 146 4.668 -32.653 0.902 1.00 45.25 C ATOM 2216 C THR A 146 3.862 -33.356 -0.184 1.00 60.12 C ATOM 2217 O THR A 146 3.755 -32.865 -1.307 1.00 51.14 O ATOM 2218 CB THR A 146 5.883 -31.960 0.256 1.00 63.35 C ATOM 2219 OG1 THR A 146 6.909 -31.756 1.234 1.00 35.21 O ATOM 2220 CG2 THR A 146 5.484 -30.625 -0.354 1.00 61.02 C ATOM 0 H THR A 146 5.804 -34.247 1.651 1.00 43.21 H new ATOM 0 HA THR A 146 4.044 -31.901 1.385 1.00 45.25 H new ATOM 0 HB THR A 146 6.261 -32.605 -0.537 1.00 63.35 H new ATOM 0 HG1 THR A 146 7.381 -32.600 1.394 1.00 35.21 H new ATOM 0 HG21 THR A 146 6.358 -30.155 -0.804 1.00 61.02 H new ATOM 0 HG22 THR A 146 4.725 -30.787 -1.119 1.00 61.02 H new ATOM 0 HG23 THR A 146 5.082 -29.975 0.424 1.00 61.02 H new ATOM 2351 N LYS M 15 -1.896 -43.268 8.147 1.00 10.50 N ATOM 2352 CA LYS M 15 -1.048 -42.929 9.284 1.00 14.10 C ATOM 2353 C LYS M 15 -0.026 -41.864 8.902 1.00 3.50 C ATOM 2354 O LYS M 15 0.173 -40.891 9.631 1.00 61.53 O ATOM 2355 CB LYS M 15 -0.331 -44.178 9.801 1.00 3.32 C ATOM 2356 CG LYS M 15 -1.274 -45.289 10.227 1.00 14.01 C ATOM 2357 CD LYS M 15 -0.657 -46.161 11.307 1.00 32.25 C ATOM 2358 CE LYS M 15 -1.029 -47.624 11.123 1.00 73.43 C ATOM 2359 NZ LYS M 15 -2.500 -47.808 10.975 1.00 23.42 N ATOM 0 HA LYS M 15 -1.684 -42.529 10.074 1.00 14.10 H new ATOM 0 HB2 LYS M 15 0.332 -44.555 9.022 1.00 3.32 H new ATOM 0 HB3 LYS M 15 0.297 -43.902 10.648 1.00 3.32 H new ATOM 0 HG2 LYS M 15 -2.204 -44.857 10.595 1.00 14.01 H new ATOM 0 HG3 LYS M 15 -1.528 -45.903 9.363 1.00 14.01 H new ATOM 0 HD2 LYS M 15 0.428 -46.055 11.286 1.00 32.25 H new ATOM 0 HD3 LYS M 15 -0.992 -45.820 12.287 1.00 32.25 H new ATOM 0 HE2 LYS M 15 -0.523 -48.019 10.242 1.00 73.43 H new ATOM 0 HE3 LYS M 15 -0.675 -48.199 11.979 1.00 73.43 H new ATOM 0 HZ1 LYS M 15 -2.741 -48.809 11.123 1.00 23.42 H new ATOM 0 HZ2 LYS M 15 -2.995 -47.225 11.679 1.00 23.42 H new ATOM 0 HZ3 LYS M 15 -2.792 -47.519 10.019 1.00 23.42 H new ATOM 2373 N TRP M 16 0.618 -42.052 7.756 1.00 23.51 N ATOM 2374 CA TRP M 16 1.620 -41.106 7.277 1.00 35.13 C ATOM 2375 C TRP M 16 1.065 -39.686 7.266 1.00 10.15 C ATOM 2376 O TRP M 16 1.769 -38.734 7.601 1.00 15.52 O ATOM 2377 CB TRP M 16 2.088 -41.494 5.874 1.00 23.51 C ATOM 2378 CG TRP M 16 3.214 -42.484 5.877 1.00 70.14 C ATOM 2379 CD1 TRP M 16 3.186 -43.759 5.387 1.00 51.54 C ATOM 2380 CD2 TRP M 16 4.533 -42.281 6.396 1.00 53.44 C ATOM 2381 NE1 TRP M 16 4.408 -44.360 5.570 1.00 52.41 N ATOM 2382 CE2 TRP M 16 5.252 -43.474 6.186 1.00 54.31 C ATOM 2383 CE3 TRP M 16 5.177 -41.206 7.015 1.00 31.30 C ATOM 2384 CZ2 TRP M 16 6.580 -43.620 6.575 1.00 23.03 C ATOM 2385 CZ3 TRP M 16 6.496 -41.353 7.401 1.00 35.22 C ATOM 2386 CH2 TRP M 16 7.186 -42.552 7.180 1.00 61.24 C ATOM 0 H TRP M 16 0.464 -42.851 7.141 1.00 23.51 H new ATOM 0 HA TRP M 16 2.470 -41.139 7.958 1.00 35.13 H new ATOM 0 HB2 TRP M 16 1.247 -41.912 5.321 1.00 23.51 H new ATOM 0 HB3 TRP M 16 2.404 -40.596 5.343 1.00 23.51 H new ATOM 0 HD1 TRP M 16 2.329 -44.226 4.924 1.00 51.54 H new ATOM 0 HE1 TRP M 16 4.648 -45.312 5.292 1.00 52.41 H new ATOM 0 HE3 TRP M 16 4.654 -40.277 7.189 1.00 31.30 H new ATOM 0 HZ2 TRP M 16 7.114 -44.543 6.406 1.00 23.03 H new ATOM 0 HZ3 TRP M 16 7.003 -40.529 7.881 1.00 35.22 H new ATOM 0 HH2 TRP M 16 8.216 -42.635 7.493 1.00 61.24 H new ATOM 2397 N GLU M 17 -0.200 -39.552 6.880 1.00 1.21 N ATOM 2398 CA GLU M 17 -0.847 -38.246 6.826 1.00 71.32 C ATOM 2399 C GLU M 17 -0.765 -37.542 8.177 1.00 42.31 C ATOM 2400 O GLU M 17 -0.649 -36.318 8.246 1.00 3.11 O ATOM 2401 CB GLU M 17 -2.310 -38.395 6.404 1.00 14.21 C ATOM 2402 CG GLU M 17 -3.046 -37.071 6.280 1.00 45.20 C ATOM 2403 CD GLU M 17 -4.552 -37.230 6.357 1.00 25.30 C ATOM 2404 OE1 GLU M 17 -5.159 -37.628 5.341 1.00 14.24 O ATOM 2405 OE2 GLU M 17 -5.122 -36.957 7.434 1.00 20.41 O ATOM 0 H GLU M 17 -0.797 -40.331 6.600 1.00 1.21 H new ATOM 0 HA GLU M 17 -0.323 -37.639 6.088 1.00 71.32 H new ATOM 0 HB2 GLU M 17 -2.352 -38.915 5.447 1.00 14.21 H new ATOM 0 HB3 GLU M 17 -2.827 -39.022 7.131 1.00 14.21 H new ATOM 0 HG2 GLU M 17 -2.715 -36.400 7.072 1.00 45.20 H new ATOM 0 HG3 GLU M 17 -2.782 -36.601 5.333 1.00 45.20 H new ATOM 2412 N LYS M 18 -0.826 -38.323 9.250 1.00 75.23 N ATOM 2413 CA LYS M 18 -0.759 -37.777 10.600 1.00 45.11 C ATOM 2414 C LYS M 18 0.630 -37.216 10.891 1.00 52.15 C ATOM 2415 O LYS M 18 0.796 -36.371 11.771 1.00 61.11 O ATOM 2416 CB LYS M 18 -1.110 -38.856 11.627 1.00 44.30 C ATOM 2417 CG LYS M 18 -1.319 -38.314 13.030 1.00 15.04 C ATOM 2418 CD LYS M 18 -0.935 -39.337 14.086 1.00 13.02 C ATOM 2419 CE LYS M 18 -2.114 -40.222 14.460 1.00 74.22 C ATOM 2420 NZ LYS M 18 -3.232 -39.437 15.054 1.00 45.45 N ATOM 0 H LYS M 18 -0.922 -39.338 9.211 1.00 75.23 H new ATOM 0 HA LYS M 18 -1.483 -36.965 10.673 1.00 45.11 H new ATOM 0 HB2 LYS M 18 -2.016 -39.370 11.306 1.00 44.30 H new ATOM 0 HB3 LYS M 18 -0.313 -39.599 11.648 1.00 44.30 H new ATOM 0 HG2 LYS M 18 -0.724 -37.410 13.164 1.00 15.04 H new ATOM 0 HG3 LYS M 18 -2.363 -38.030 13.160 1.00 15.04 H new ATOM 0 HD2 LYS M 18 -0.118 -39.956 13.715 1.00 13.02 H new ATOM 0 HD3 LYS M 18 -0.568 -38.824 14.975 1.00 13.02 H new ATOM 0 HE2 LYS M 18 -2.470 -40.746 13.573 1.00 74.22 H new ATOM 0 HE3 LYS M 18 -1.787 -40.982 15.170 1.00 74.22 H new ATOM 0 HZ1 LYS M 18 -3.805 -40.055 15.663 1.00 45.45 H new ATOM 0 HZ2 LYS M 18 -2.845 -38.656 15.621 1.00 45.45 H new ATOM 0 HZ3 LYS M 18 -3.828 -39.051 14.294 1.00 45.45 H new ATOM 2434 N ILE M 19 1.622 -37.690 10.145 1.00 44.41 N ATOM 2435 CA ILE M 19 2.995 -37.233 10.322 1.00 42.33 C ATOM 2436 C ILE M 19 3.158 -35.790 9.857 1.00 44.44 C ATOM 2437 O ILE M 19 3.945 -35.030 10.422 1.00 45.05 O ATOM 2438 CB ILE M 19 3.988 -38.124 9.553 1.00 45.45 C ATOM 2439 CG1 ILE M 19 3.686 -39.601 9.809 1.00 24.34 C ATOM 2440 CG2 ILE M 19 5.418 -37.792 9.954 1.00 50.00 C ATOM 2441 CD1 ILE M 19 3.726 -39.981 11.273 1.00 10.42 C ATOM 0 H ILE M 19 1.501 -38.390 9.413 1.00 44.41 H new ATOM 0 HA ILE M 19 3.214 -37.295 11.388 1.00 42.33 H new ATOM 0 HB ILE M 19 3.876 -37.930 8.486 1.00 45.45 H new ATOM 0 HG12 ILE M 19 2.700 -39.837 9.408 1.00 24.34 H new ATOM 0 HG13 ILE M 19 4.407 -40.211 9.264 1.00 24.34 H new ATOM 0 HG21 ILE M 19 6.108 -38.430 9.402 1.00 50.00 H new ATOM 0 HG22 ILE M 19 5.627 -36.747 9.724 1.00 50.00 H new ATOM 0 HG23 ILE M 19 5.544 -37.961 11.023 1.00 50.00 H new ATOM 0 HD11 ILE M 19 3.502 -41.042 11.380 1.00 10.42 H new ATOM 0 HD12 ILE M 19 4.718 -39.777 11.675 1.00 10.42 H new ATOM 0 HD13 ILE M 19 2.986 -39.398 11.821 1.00 10.42 H new ATOM 2453 N ARG M 20 2.408 -35.418 8.825 1.00 42.15 N ATOM 2454 CA ARG M 20 2.469 -34.065 8.284 1.00 62.44 C ATOM 2455 C ARG M 20 2.286 -33.029 9.389 1.00 70.15 C ATOM 2456 O ARG M 20 2.820 -31.922 9.311 1.00 54.34 O ATOM 2457 CB ARG M 20 1.398 -33.875 7.208 1.00 1.41 C ATOM 2458 CG ARG M 20 1.558 -32.591 6.410 1.00 13.35 C ATOM 2459 CD ARG M 20 0.556 -32.516 5.268 1.00 25.24 C ATOM 2460 NE ARG M 20 -0.702 -31.903 5.683 1.00 13.23 N ATOM 2461 CZ ARG M 20 -1.836 -32.017 5.000 1.00 44.53 C ATOM 2462 NH1 ARG M 20 -1.868 -32.717 3.874 1.00 5.14 N ATOM 2463 NH2 ARG M 20 -2.940 -31.429 5.442 1.00 73.22 N ATOM 0 H ARG M 20 1.751 -36.034 8.347 1.00 42.15 H new ATOM 0 HA ARG M 20 3.453 -33.923 7.837 1.00 62.44 H new ATOM 0 HB2 ARG M 20 1.427 -34.724 6.525 1.00 1.41 H new ATOM 0 HB3 ARG M 20 0.416 -33.879 7.680 1.00 1.41 H new ATOM 0 HG2 ARG M 20 1.425 -31.733 7.069 1.00 13.35 H new ATOM 0 HG3 ARG M 20 2.571 -32.533 6.011 1.00 13.35 H new ATOM 0 HD2 ARG M 20 0.985 -31.942 4.446 1.00 25.24 H new ATOM 0 HD3 ARG M 20 0.363 -33.520 4.889 1.00 25.24 H new ATOM 0 HE ARG M 20 -0.711 -31.357 6.545 1.00 13.23 H new ATOM 0 HH11 ARG M 20 -1.021 -33.169 3.530 1.00 5.14 H new ATOM 0 HH12 ARG M 20 -2.740 -32.803 3.352 1.00 5.14 H new ATOM 0 HH21 ARG M 20 -2.919 -30.889 6.307 1.00 73.22 H new ATOM 0 HH22 ARG M 20 -3.810 -31.517 4.917 1.00 73.22 H new ATOM 2630 N LYS M 30 15.434 -23.210 3.851 1.00 51.11 N ATOM 2631 CA LYS M 30 15.986 -24.536 3.598 1.00 54.44 C ATOM 2632 C LYS M 30 17.510 -24.503 3.618 1.00 64.32 C ATOM 2633 O LYS M 30 18.151 -25.351 4.241 1.00 64.04 O ATOM 2634 CB LYS M 30 15.494 -25.066 2.249 1.00 51.01 C ATOM 2635 CG LYS M 30 16.328 -26.213 1.706 1.00 63.13 C ATOM 2636 CD LYS M 30 15.459 -27.273 1.050 1.00 42.24 C ATOM 2637 CE LYS M 30 16.165 -28.619 0.998 1.00 22.10 C ATOM 2638 NZ LYS M 30 15.232 -29.721 0.634 1.00 62.10 N ATOM 0 HA LYS M 30 15.644 -25.202 4.390 1.00 54.44 H new ATOM 0 HB2 LYS M 30 14.461 -25.397 2.353 1.00 51.01 H new ATOM 0 HB3 LYS M 30 15.497 -24.251 1.525 1.00 51.01 H new ATOM 0 HG2 LYS M 30 17.046 -25.830 0.981 1.00 63.13 H new ATOM 0 HG3 LYS M 30 16.902 -26.662 2.517 1.00 63.13 H new ATOM 0 HD2 LYS M 30 14.525 -27.372 1.603 1.00 42.24 H new ATOM 0 HD3 LYS M 30 15.200 -26.958 0.039 1.00 42.24 H new ATOM 0 HE2 LYS M 30 16.977 -28.576 0.272 1.00 22.10 H new ATOM 0 HE3 LYS M 30 16.616 -28.830 1.968 1.00 22.10 H new ATOM 0 HZ1 LYS M 30 15.699 -30.637 0.789 1.00 62.10 H new ATOM 0 HZ2 LYS M 30 14.379 -29.663 1.226 1.00 62.10 H new ATOM 0 HZ3 LYS M 30 14.965 -29.634 -0.367 1.00 62.10 H new ATOM 2652 N LEU M 31 18.086 -23.520 2.935 1.00 72.04 N ATOM 2653 CA LEU M 31 19.536 -23.376 2.875 1.00 23.24 C ATOM 2654 C LEU M 31 20.027 -22.371 3.913 1.00 73.32 C ATOM 2655 O LEU M 31 21.095 -22.541 4.502 1.00 74.14 O ATOM 2656 CB LEU M 31 19.968 -22.934 1.476 1.00 0.22 C ATOM 2657 CG LEU M 31 21.362 -22.315 1.368 1.00 22.12 C ATOM 2658 CD1 LEU M 31 22.405 -23.239 1.978 1.00 12.25 C ATOM 2659 CD2 LEU M 31 21.700 -22.012 -0.084 1.00 61.13 C ATOM 0 H LEU M 31 17.570 -22.810 2.415 1.00 72.04 H new ATOM 0 HA LEU M 31 19.982 -24.346 3.096 1.00 23.24 H new ATOM 0 HB2 LEU M 31 19.924 -23.799 0.814 1.00 0.22 H new ATOM 0 HB3 LEU M 31 19.242 -22.211 1.105 1.00 0.22 H new ATOM 0 HG LEU M 31 21.366 -21.378 1.924 1.00 22.12 H new ATOM 0 HD11 LEU M 31 23.391 -22.782 1.892 1.00 12.25 H new ATOM 0 HD12 LEU M 31 22.173 -23.406 3.030 1.00 12.25 H new ATOM 0 HD13 LEU M 31 22.400 -24.192 1.450 1.00 12.25 H new ATOM 0 HD21 LEU M 31 22.696 -21.572 -0.142 1.00 61.13 H new ATOM 0 HD22 LEU M 31 21.677 -22.935 -0.663 1.00 61.13 H new ATOM 0 HD23 LEU M 31 20.970 -21.311 -0.489 1.00 61.13 H new ATOM 2671 N LYS M 32 19.238 -21.325 4.134 1.00 45.32 N ATOM 2672 CA LYS M 32 19.589 -20.293 5.103 1.00 63.22 C ATOM 2673 C LYS M 32 20.036 -20.915 6.422 1.00 63.21 C ATOM 2674 O LYS M 32 20.914 -20.385 7.104 1.00 63.24 O ATOM 2675 CB LYS M 32 18.397 -19.364 5.343 1.00 45.30 C ATOM 2676 CG LYS M 32 17.117 -20.097 5.705 1.00 45.12 C ATOM 2677 CD LYS M 32 16.446 -19.480 6.921 1.00 62.45 C ATOM 2678 CE LYS M 32 15.601 -18.275 6.539 1.00 0.30 C ATOM 2679 NZ LYS M 32 16.316 -16.993 6.792 1.00 23.43 N ATOM 0 H LYS M 32 18.351 -21.169 3.655 1.00 45.32 H new ATOM 0 HA LYS M 32 20.417 -19.713 4.696 1.00 63.22 H new ATOM 0 HB2 LYS M 32 18.646 -18.667 6.144 1.00 45.30 H new ATOM 0 HB3 LYS M 32 18.224 -18.770 4.446 1.00 45.30 H new ATOM 0 HG2 LYS M 32 16.431 -20.073 4.858 1.00 45.12 H new ATOM 0 HG3 LYS M 32 17.341 -21.145 5.904 1.00 45.12 H new ATOM 0 HD2 LYS M 32 15.819 -20.226 7.409 1.00 62.45 H new ATOM 0 HD3 LYS M 32 17.205 -19.179 7.643 1.00 62.45 H new ATOM 0 HE2 LYS M 32 15.333 -18.339 5.484 1.00 0.30 H new ATOM 0 HE3 LYS M 32 14.670 -18.290 7.106 1.00 0.30 H new ATOM 0 HZ1 LYS M 32 15.634 -16.208 6.782 1.00 23.43 H new ATOM 0 HZ2 LYS M 32 16.784 -17.034 7.720 1.00 23.43 H new ATOM 0 HZ3 LYS M 32 17.030 -16.842 6.051 1.00 23.43 H new ATOM 2693 N HIS M 33 19.428 -22.043 6.775 1.00 11.14 N ATOM 2694 CA HIS M 33 19.765 -22.738 8.012 1.00 23.25 C ATOM 2695 C HIS M 33 21.270 -22.973 8.111 1.00 74.23 C ATOM 2696 O HIS M 33 21.877 -22.738 9.156 1.00 61.14 O ATOM 2697 CB HIS M 33 19.023 -24.072 8.091 1.00 33.43 C ATOM 2698 CG HIS M 33 19.339 -24.862 9.324 1.00 31.00 C ATOM 2699 ND1 HIS M 33 19.726 -24.279 10.512 1.00 33.34 N ATOM 2700 CD2 HIS M 33 19.322 -26.197 9.549 1.00 3.41 C ATOM 2701 CE1 HIS M 33 19.935 -25.221 11.415 1.00 71.44 C ATOM 2702 NE2 HIS M 33 19.697 -26.394 10.855 1.00 34.04 N ATOM 0 H HIS M 33 18.700 -22.495 6.222 1.00 11.14 H new ATOM 0 HA HIS M 33 19.457 -22.110 8.848 1.00 23.25 H new ATOM 0 HB2 HIS M 33 17.950 -23.884 8.055 1.00 33.43 H new ATOM 0 HB3 HIS M 33 19.272 -24.669 7.214 1.00 33.43 H new ATOM 0 HD2 HIS M 33 19.062 -26.964 8.834 1.00 3.41 H new ATOM 0 HE1 HIS M 33 20.247 -25.060 12.436 1.00 71.44 H new ATOM 0 HE2 HIS M 33 19.779 -27.299 11.318 1.00 34.04 H new ATOM 2710 N ILE M 34 21.863 -23.439 7.017 1.00 45.40 N ATOM 2711 CA ILE M 34 23.296 -23.705 6.981 1.00 41.13 C ATOM 2712 C ILE M 34 24.092 -22.495 7.458 1.00 43.03 C ATOM 2713 O ILE M 34 25.132 -22.637 8.102 1.00 14.12 O ATOM 2714 CB ILE M 34 23.762 -24.086 5.563 1.00 2.31 C ATOM 2715 CG1 ILE M 34 23.005 -25.320 5.068 1.00 40.41 C ATOM 2716 CG2 ILE M 34 25.263 -24.337 5.549 1.00 74.05 C ATOM 2717 CD1 ILE M 34 23.404 -25.755 3.675 1.00 14.51 C ATOM 0 H ILE M 34 21.374 -23.640 6.145 1.00 45.40 H new ATOM 0 HA ILE M 34 23.478 -24.544 7.652 1.00 41.13 H new ATOM 0 HB ILE M 34 23.546 -23.257 4.890 1.00 2.31 H new ATOM 0 HG12 ILE M 34 23.177 -26.144 5.761 1.00 40.41 H new ATOM 0 HG13 ILE M 34 21.935 -25.110 5.082 1.00 40.41 H new ATOM 0 HG21 ILE M 34 25.578 -24.605 4.540 1.00 74.05 H new ATOM 0 HG22 ILE M 34 25.786 -23.434 5.864 1.00 74.05 H new ATOM 0 HG23 ILE M 34 25.502 -25.152 6.232 1.00 74.05 H new ATOM 0 HD11 ILE M 34 22.827 -26.635 3.389 1.00 14.51 H new ATOM 0 HD12 ILE M 34 23.206 -24.947 2.971 1.00 14.51 H new ATOM 0 HD13 ILE M 34 24.467 -25.997 3.660 1.00 14.51 H new ATOM 2729 N VAL M 35 23.597 -21.304 7.138 1.00 53.30 N ATOM 2730 CA VAL M 35 24.260 -20.068 7.536 1.00 10.21 C ATOM 2731 C VAL M 35 24.593 -20.077 9.024 1.00 74.32 C ATOM 2732 O VAL M 35 25.658 -19.616 9.435 1.00 75.41 O ATOM 2733 CB VAL M 35 23.388 -18.837 7.224 1.00 31.21 C ATOM 2734 CG1 VAL M 35 24.131 -17.555 7.567 1.00 31.15 C ATOM 2735 CG2 VAL M 35 22.963 -18.842 5.763 1.00 23.13 C ATOM 0 H VAL M 35 22.739 -21.169 6.604 1.00 53.30 H new ATOM 0 HA VAL M 35 25.183 -20.005 6.960 1.00 10.21 H new ATOM 0 HB VAL M 35 22.490 -18.884 7.840 1.00 31.21 H new ATOM 0 HG11 VAL M 35 23.499 -16.696 7.340 1.00 31.15 H new ATOM 0 HG12 VAL M 35 24.380 -17.552 8.628 1.00 31.15 H new ATOM 0 HG13 VAL M 35 25.047 -17.497 6.979 1.00 31.15 H new ATOM 0 HG21 VAL M 35 22.348 -17.965 5.560 1.00 23.13 H new ATOM 0 HG22 VAL M 35 23.848 -18.820 5.127 1.00 23.13 H new ATOM 0 HG23 VAL M 35 22.389 -19.745 5.554 1.00 23.13 H new ATOM 2745 N TRP M 36 23.675 -20.605 9.826 1.00 64.51 N ATOM 2746 CA TRP M 36 23.872 -20.676 11.269 1.00 12.34 C ATOM 2747 C TRP M 36 25.125 -21.474 11.610 1.00 4.20 C ATOM 2748 O TRP M 36 25.870 -21.118 12.523 1.00 13.01 O ATOM 2749 CB TRP M 36 22.652 -21.308 11.941 1.00 75.24 C ATOM 2750 CG TRP M 36 21.467 -20.392 12.003 1.00 33.42 C ATOM 2751 CD1 TRP M 36 21.159 -19.390 11.129 1.00 51.42 C ATOM 2752 CD2 TRP M 36 20.433 -20.395 12.994 1.00 3.31 C ATOM 2753 NE1 TRP M 36 19.996 -18.768 11.516 1.00 23.25 N ATOM 2754 CE2 TRP M 36 19.531 -19.367 12.657 1.00 10.34 C ATOM 2755 CE3 TRP M 36 20.181 -21.166 14.132 1.00 61.13 C ATOM 2756 CZ2 TRP M 36 18.398 -19.092 13.419 1.00 42.02 C ATOM 2757 CZ3 TRP M 36 19.057 -20.892 14.887 1.00 54.05 C ATOM 2758 CH2 TRP M 36 18.176 -19.863 14.527 1.00 0.24 C ATOM 0 H TRP M 36 22.788 -20.990 9.502 1.00 64.51 H new ATOM 0 HA TRP M 36 23.999 -19.660 11.643 1.00 12.34 H new ATOM 0 HB2 TRP M 36 22.375 -22.212 11.399 1.00 75.24 H new ATOM 0 HB3 TRP M 36 22.920 -21.612 12.953 1.00 75.24 H new ATOM 0 HD1 TRP M 36 21.744 -19.125 10.260 1.00 51.42 H new ATOM 0 HE1 TRP M 36 19.552 -17.988 11.032 1.00 23.25 H new ATOM 0 HE3 TRP M 36 20.853 -21.962 14.416 1.00 61.13 H new ATOM 0 HZ2 TRP M 36 17.719 -18.298 13.145 1.00 42.02 H new ATOM 0 HZ3 TRP M 36 18.854 -21.481 15.769 1.00 54.05 H new ATOM 0 HH2 TRP M 36 17.304 -19.675 15.137 1.00 0.24 H new ATOM 2769 N ALA M 37 25.353 -22.554 10.870 1.00 22.11 N ATOM 2770 CA ALA M 37 26.519 -23.401 11.093 1.00 15.21 C ATOM 2771 C ALA M 37 27.811 -22.639 10.821 1.00 0.32 C ATOM 2772 O ALA M 37 28.886 -23.044 11.263 1.00 2.52 O ATOM 2773 CB ALA M 37 26.443 -24.644 10.219 1.00 14.11 C ATOM 0 H ALA M 37 24.746 -22.863 10.111 1.00 22.11 H new ATOM 0 HA ALA M 37 26.521 -23.706 12.140 1.00 15.21 H new ATOM 0 HB1 ALA M 37 27.320 -25.267 10.396 1.00 14.11 H new ATOM 0 HB2 ALA M 37 25.542 -25.207 10.464 1.00 14.11 H new ATOM 0 HB3 ALA M 37 26.412 -24.350 9.170 1.00 14.11 H new ATOM 2779 N SER M 38 27.699 -21.534 10.091 1.00 53.04 N ATOM 2780 CA SER M 38 28.860 -20.718 9.756 1.00 53.41 C ATOM 2781 C SER M 38 29.415 -20.028 10.998 1.00 1.32 C ATOM 2782 O SER M 38 30.556 -19.566 11.007 1.00 23.02 O ATOM 2783 CB SER M 38 28.488 -19.673 8.702 1.00 62.03 C ATOM 2784 OG SER M 38 27.568 -20.201 7.762 1.00 31.24 O ATOM 0 H SER M 38 26.816 -21.183 9.720 1.00 53.04 H new ATOM 0 HA SER M 38 29.630 -21.374 9.351 1.00 53.41 H new ATOM 0 HB2 SER M 38 28.054 -18.800 9.189 1.00 62.03 H new ATOM 0 HB3 SER M 38 29.387 -19.337 8.186 1.00 62.03 H new ATOM 0 HG SER M 38 27.345 -19.513 7.100 1.00 31.24 H new ATOM 2790 N ARG M 39 28.599 -19.962 12.045 1.00 3.22 N ATOM 2791 CA ARG M 39 29.007 -19.328 13.293 1.00 43.51 C ATOM 2792 C ARG M 39 30.342 -19.887 13.776 1.00 45.53 C ATOM 2793 O ARG M 39 31.117 -19.190 14.430 1.00 42.40 O ATOM 2794 CB ARG M 39 27.938 -19.532 14.367 1.00 31.55 C ATOM 2795 CG ARG M 39 26.664 -18.742 14.117 1.00 31.24 C ATOM 2796 CD ARG M 39 25.512 -19.260 14.965 1.00 50.43 C ATOM 2797 NE ARG M 39 25.569 -18.753 16.333 1.00 34.33 N ATOM 2798 CZ ARG M 39 25.175 -17.534 16.682 1.00 0.55 C ATOM 2799 NH1 ARG M 39 24.698 -16.700 15.768 1.00 4.02 N ATOM 2800 NH2 ARG M 39 25.257 -17.146 17.949 1.00 44.43 N ATOM 0 H ARG M 39 27.652 -20.340 12.054 1.00 3.22 H new ATOM 0 HA ARG M 39 29.126 -18.261 13.107 1.00 43.51 H new ATOM 0 HB2 ARG M 39 27.692 -20.592 14.426 1.00 31.55 H new ATOM 0 HB3 ARG M 39 28.349 -19.246 15.335 1.00 31.55 H new ATOM 0 HG2 ARG M 39 26.837 -17.689 14.341 1.00 31.24 H new ATOM 0 HG3 ARG M 39 26.397 -18.804 13.062 1.00 31.24 H new ATOM 0 HD2 ARG M 39 24.566 -18.968 14.509 1.00 50.43 H new ATOM 0 HD3 ARG M 39 25.535 -20.350 14.981 1.00 50.43 H new ATOM 0 HE ARG M 39 25.931 -19.369 17.061 1.00 34.33 H new ATOM 0 HH11 ARG M 39 24.633 -16.994 14.794 1.00 4.02 H new ATOM 0 HH12 ARG M 39 24.396 -15.764 16.039 1.00 4.02 H new ATOM 0 HH21 ARG M 39 25.623 -17.785 18.655 1.00 44.43 H new ATOM 0 HH22 ARG M 39 24.954 -16.209 18.216 1.00 44.43 H new ATOM 2814 N GLU M 40 30.603 -21.148 13.448 1.00 21.44 N ATOM 2815 CA GLU M 40 31.844 -21.800 13.850 1.00 31.44 C ATOM 2816 C GLU M 40 32.992 -21.402 12.927 1.00 74.32 C ATOM 2817 O GLU M 40 34.080 -21.052 13.386 1.00 70.45 O ATOM 2818 CB GLU M 40 31.673 -23.321 13.843 1.00 53.11 C ATOM 2819 CG GLU M 40 30.453 -23.800 14.612 1.00 54.24 C ATOM 2820 CD GLU M 40 30.465 -23.355 16.061 1.00 14.41 C ATOM 2821 OE1 GLU M 40 31.325 -23.842 16.824 1.00 45.25 O ATOM 2822 OE2 GLU M 40 29.614 -22.520 16.433 1.00 13.10 O ATOM 0 H GLU M 40 29.972 -21.738 12.905 1.00 21.44 H new ATOM 0 HA GLU M 40 32.084 -21.473 14.862 1.00 31.44 H new ATOM 0 HB2 GLU M 40 31.600 -23.665 12.811 1.00 53.11 H new ATOM 0 HB3 GLU M 40 32.565 -23.780 14.270 1.00 53.11 H new ATOM 0 HG2 GLU M 40 29.552 -23.423 14.128 1.00 54.24 H new ATOM 0 HG3 GLU M 40 30.406 -24.888 14.570 1.00 54.24 H new ATOM 2829 N LEU M 41 32.741 -21.459 11.624 1.00 40.25 N ATOM 2830 CA LEU M 41 33.753 -21.105 10.634 1.00 53.12 C ATOM 2831 C LEU M 41 34.188 -19.652 10.795 1.00 14.23 C ATOM 2832 O LEU M 41 33.652 -18.924 11.630 1.00 4.52 O ATOM 2833 CB LEU M 41 33.214 -21.334 9.221 1.00 61.04 C ATOM 2834 CG LEU M 41 33.577 -22.671 8.573 1.00 52.45 C ATOM 2835 CD1 LEU M 41 32.893 -22.812 7.221 1.00 3.43 C ATOM 2836 CD2 LEU M 41 35.086 -22.800 8.425 1.00 51.30 C ATOM 0 H LEU M 41 31.846 -21.747 11.228 1.00 40.25 H new ATOM 0 HA LEU M 41 34.621 -21.745 10.794 1.00 53.12 H new ATOM 0 HB2 LEU M 41 32.128 -21.250 9.250 1.00 61.04 H new ATOM 0 HB3 LEU M 41 33.579 -20.531 8.580 1.00 61.04 H new ATOM 0 HG LEU M 41 33.226 -23.474 9.221 1.00 52.45 H new ATOM 0 HD11 LEU M 41 33.163 -23.769 6.775 1.00 3.43 H new ATOM 0 HD12 LEU M 41 31.812 -22.765 7.353 1.00 3.43 H new ATOM 0 HD13 LEU M 41 33.213 -22.003 6.565 1.00 3.43 H new ATOM 0 HD21 LEU M 41 35.326 -23.757 7.962 1.00 51.30 H new ATOM 0 HD22 LEU M 41 35.461 -21.990 7.799 1.00 51.30 H new ATOM 0 HD23 LEU M 41 35.554 -22.745 9.408 1.00 51.30 H new