USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 954 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 76 GLN : amide:sc= -0.498 K(o=-0.22,f=-1.4) USER MOD Set 1.2: A 85 HIS : no HE2:sc= 0.28 K(o=-0.22,f=-6.1!) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.112 X(o=0.18,f=-0.033) USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 87 HIS : no HE2:sc= 0.0657 K(o=0.18,f=-2) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= -0.0252 (180deg=-0.197) USER MOD Single : A 8 MET CE :methyl 160:sc= -0.122 (180deg=-0.634) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00992 X(o=-0.0099,f=-0.018) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc=-0.00918 X(o=-0.0092,f=-0.34) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -4.08! C(o=-4.1!,f=-14!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0655 X(o=-0.066,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0522 F(o=-1.4!,f=-0.052) USER MOD Single : A 101 HIS : no HE2:sc= -1.21! C(o=-1.2!,f=-8.4!) USER MOD Single : A 103 HIS : +bothHN:sc= -0.196 K(o=-0.2,f=-8.3!) USER MOD Single : A 104 GLN : amide:sc= -0.0492 X(o=-0.049,f=-0.13) USER MOD Single : A 109 CYS SG : rot 30:sc= -0.168 USER MOD Single : A 110 SER OG : rot 180:sc= -1.14 USER MOD Single : A 116 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.96) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -147:sc= -0.206 (180deg=-0.802) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -19.484 -8.583 -3.599 1.00 0.00 N ATOM 79 CA LYS A 7 -19.077 -7.293 -4.135 1.00 0.00 C ATOM 80 C LYS A 7 -17.586 -7.120 -3.899 1.00 0.00 C ATOM 81 O LYS A 7 -17.040 -7.678 -2.947 1.00 0.00 O ATOM 82 CB LYS A 7 -19.854 -6.142 -3.484 1.00 0.00 C ATOM 83 CG LYS A 7 -21.108 -5.729 -4.243 1.00 0.00 C ATOM 84 CD LYS A 7 -22.153 -6.833 -4.279 1.00 0.00 C ATOM 85 CE LYS A 7 -23.378 -6.412 -5.076 1.00 0.00 C ATOM 86 NZ LYS A 7 -23.064 -6.183 -6.512 1.00 0.00 N ATOM 0 HA LYS A 7 -19.296 -7.268 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -20.135 -6.434 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.195 -5.278 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.536 -4.842 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.838 -5.454 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.721 -7.731 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -22.449 -7.089 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -24.146 -7.181 -4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.793 -5.500 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -23.949 -6.116 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -22.528 -5.298 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -22.496 -6.975 -6.874 1.00 0.00 H new ATOM 100 N MET A 8 -16.922 -6.372 -4.756 1.00 0.00 N ATOM 101 CA MET A 8 -15.482 -6.237 -4.666 1.00 0.00 C ATOM 102 C MET A 8 -15.069 -4.909 -4.055 1.00 0.00 C ATOM 103 O MET A 8 -15.638 -3.858 -4.344 1.00 0.00 O ATOM 104 CB MET A 8 -14.832 -6.419 -6.037 1.00 0.00 C ATOM 105 CG MET A 8 -14.848 -7.861 -6.520 1.00 0.00 C ATOM 106 SD MET A 8 -14.103 -8.064 -8.150 1.00 0.00 S ATOM 107 CE MET A 8 -12.424 -7.526 -7.827 1.00 0.00 C ATOM 0 H MET A 8 -17.353 -5.851 -5.519 1.00 0.00 H new ATOM 0 HA MET A 8 -15.129 -7.026 -4.002 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.350 -5.793 -6.764 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.801 -6.069 -5.993 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.315 -8.485 -5.802 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.878 -8.217 -6.550 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.762 -7.913 -8.602 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.385 -6.437 -7.827 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.103 -7.900 -6.855 1.00 0.00 H new ATOM 117 N ILE A 9 -14.074 -4.994 -3.194 1.00 0.00 N ATOM 118 CA ILE A 9 -13.476 -3.842 -2.552 1.00 0.00 C ATOM 119 C ILE A 9 -12.052 -3.695 -3.059 1.00 0.00 C ATOM 120 O ILE A 9 -11.209 -4.542 -2.795 1.00 0.00 O ATOM 121 CB ILE A 9 -13.441 -4.025 -1.021 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.859 -4.197 -0.471 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.724 -2.872 -0.322 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.918 -4.249 1.040 1.00 0.00 C ATOM 0 H ILE A 9 -13.652 -5.880 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.068 -2.957 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.871 -4.930 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.479 -3.372 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.288 -5.114 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.723 -3.043 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.696 -2.812 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.240 -1.937 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.953 -4.372 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.325 -5.090 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.519 -3.322 1.452 1.00 0.00 H new ATOM 136 N GLU A 10 -11.782 -2.647 -3.797 1.00 0.00 N ATOM 137 CA GLU A 10 -10.449 -2.462 -4.338 1.00 0.00 C ATOM 138 C GLU A 10 -9.668 -1.509 -3.467 1.00 0.00 C ATOM 139 O GLU A 10 -10.083 -0.372 -3.246 1.00 0.00 O ATOM 140 CB GLU A 10 -10.482 -1.974 -5.787 1.00 0.00 C ATOM 141 CG GLU A 10 -11.052 -3.001 -6.749 1.00 0.00 C ATOM 142 CD GLU A 10 -10.408 -2.935 -8.118 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.298 -3.485 -8.278 1.00 0.00 O ATOM 144 OE2 GLU A 10 -11.008 -2.342 -9.040 1.00 0.00 O ATOM 0 H GLU A 10 -12.452 -1.917 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.951 -3.431 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.077 -1.063 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.471 -1.714 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.913 -3.999 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.126 -2.844 -6.849 1.00 0.00 H new ATOM 151 N VAL A 11 -8.540 -1.981 -2.970 1.00 0.00 N ATOM 152 CA VAL A 11 -7.732 -1.220 -2.044 1.00 0.00 C ATOM 153 C VAL A 11 -6.328 -1.090 -2.600 1.00 0.00 C ATOM 154 O VAL A 11 -5.661 -2.084 -2.878 1.00 0.00 O ATOM 155 CB VAL A 11 -7.677 -1.890 -0.651 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.764 -1.124 0.296 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.070 -2.005 -0.057 1.00 0.00 C ATOM 0 H VAL A 11 -8.161 -2.900 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.186 -0.236 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.266 -2.891 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.747 -1.621 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.755 -1.096 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.135 -0.106 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.010 -2.479 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.504 -1.011 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.697 -2.608 -0.714 1.00 0.00 H new ATOM 167 N VAL A 12 -5.892 0.130 -2.780 1.00 0.00 N ATOM 168 CA VAL A 12 -4.575 0.381 -3.314 1.00 0.00 C ATOM 169 C VAL A 12 -3.606 0.698 -2.195 1.00 0.00 C ATOM 170 O VAL A 12 -3.913 1.484 -1.297 1.00 0.00 O ATOM 171 CB VAL A 12 -4.579 1.524 -4.348 1.00 0.00 C ATOM 172 CG1 VAL A 12 -4.958 0.993 -5.720 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.531 2.635 -3.917 1.00 0.00 C ATOM 0 H VAL A 12 -6.431 0.969 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.254 -0.526 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.574 1.942 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.957 1.811 -6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.237 0.236 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.953 0.550 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.520 3.433 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.541 2.235 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.214 3.033 -2.953 1.00 0.00 H new ATOM 183 N ALA A 13 -2.446 0.074 -2.239 1.00 0.00 N ATOM 184 CA ALA A 13 -1.428 0.293 -1.235 1.00 0.00 C ATOM 185 C ALA A 13 -0.217 0.930 -1.893 1.00 0.00 C ATOM 186 O ALA A 13 0.300 0.416 -2.889 1.00 0.00 O ATOM 187 CB ALA A 13 -1.056 -1.021 -0.555 1.00 0.00 C ATOM 0 H ALA A 13 -2.185 -0.593 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.810 0.963 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.289 -0.837 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.939 -1.446 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.674 -1.720 -1.299 1.00 0.00 H new ATOM 193 N ALA A 14 0.220 2.052 -1.353 1.00 0.00 N ATOM 194 CA ALA A 14 1.330 2.790 -1.921 1.00 0.00 C ATOM 195 C ALA A 14 2.582 2.553 -1.110 1.00 0.00 C ATOM 196 O ALA A 14 2.640 2.865 0.080 1.00 0.00 O ATOM 197 CB ALA A 14 1.024 4.280 -1.973 1.00 0.00 C ATOM 0 H ALA A 14 -0.181 2.474 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 14 1.487 2.434 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.873 4.811 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.141 4.449 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.839 4.649 -0.964 1.00 0.00 H new ATOM 203 N ILE A 15 3.585 1.999 -1.754 1.00 0.00 N ATOM 204 CA ILE A 15 4.853 1.773 -1.107 1.00 0.00 C ATOM 205 C ILE A 15 5.733 2.994 -1.294 1.00 0.00 C ATOM 206 O ILE A 15 6.294 3.208 -2.376 1.00 0.00 O ATOM 207 CB ILE A 15 5.543 0.510 -1.665 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.717 -0.729 -1.294 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.974 0.389 -1.157 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.486 -2.025 -1.387 1.00 0.00 C ATOM 0 H ILE A 15 3.544 1.697 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 15 4.685 1.609 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 15 5.596 0.589 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.341 -0.613 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.849 -0.785 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.431 -0.511 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.546 1.262 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.970 0.329 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.836 -2.855 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.839 -2.166 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.339 -1.991 -0.710 1.00 0.00 H new ATOM 222 N ILE A 16 5.828 3.812 -0.252 1.00 0.00 N ATOM 223 CA ILE A 16 6.593 5.041 -0.318 1.00 0.00 C ATOM 224 C ILE A 16 8.049 4.726 -0.057 1.00 0.00 C ATOM 225 O ILE A 16 8.417 4.420 1.072 1.00 0.00 O ATOM 226 CB ILE A 16 6.127 6.054 0.753 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.594 6.135 0.818 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.730 7.429 0.484 1.00 0.00 C ATOM 229 CD1 ILE A 16 3.976 7.070 -0.194 1.00 0.00 C ATOM 0 H ILE A 16 5.381 3.641 0.649 1.00 0.00 H new ATOM 0 HA ILE A 16 6.448 5.476 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 16 6.480 5.703 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.183 5.136 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.301 6.456 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.392 8.130 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.818 7.361 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.412 7.780 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.892 7.067 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.355 8.080 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.234 6.740 -1.200 1.00 0.00 H new ATOM 241 N GLU A 17 8.874 4.779 -1.080 1.00 0.00 N ATOM 242 CA GLU A 17 10.273 4.453 -0.905 1.00 0.00 C ATOM 243 C GLU A 17 11.130 5.682 -1.113 1.00 0.00 C ATOM 244 O GLU A 17 11.227 6.207 -2.224 1.00 0.00 O ATOM 245 CB GLU A 17 10.714 3.360 -1.865 1.00 0.00 C ATOM 246 CG GLU A 17 12.106 2.830 -1.566 1.00 0.00 C ATOM 247 CD GLU A 17 12.754 2.186 -2.768 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.145 1.261 -3.343 1.00 0.00 O ATOM 249 OE2 GLU A 17 13.859 2.629 -3.154 1.00 0.00 O ATOM 0 H GLU A 17 8.606 5.041 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 17 10.399 4.088 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.001 2.537 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.690 3.748 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.734 3.648 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.047 2.103 -0.756 1.00 0.00 H new ATOM 256 N ARG A 18 11.741 6.142 -0.045 1.00 0.00 N ATOM 257 CA ARG A 18 12.643 7.269 -0.123 1.00 0.00 C ATOM 258 C ARG A 18 13.975 6.887 0.497 1.00 0.00 C ATOM 259 O ARG A 18 14.039 6.522 1.673 1.00 0.00 O ATOM 260 CB ARG A 18 12.042 8.493 0.572 1.00 0.00 C ATOM 261 CG ARG A 18 12.815 9.780 0.326 1.00 0.00 C ATOM 262 CD ARG A 18 13.040 10.028 -1.159 1.00 0.00 C ATOM 263 NE ARG A 18 14.441 9.834 -1.536 1.00 0.00 N ATOM 264 CZ ARG A 18 14.865 9.685 -2.793 1.00 0.00 C ATOM 265 NH1 ARG A 18 13.999 9.697 -3.803 1.00 0.00 N ATOM 266 NH2 ARG A 18 16.161 9.537 -3.042 1.00 0.00 N ATOM 0 H ARG A 18 11.629 5.752 0.891 1.00 0.00 H new ATOM 0 HA ARG A 18 12.802 7.533 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.016 8.626 0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.999 8.305 1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.269 10.620 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.777 9.730 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.411 9.354 -1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.734 11.044 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 18 15.137 9.811 -0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.003 9.821 -3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.331 9.583 -4.761 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.831 9.537 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.486 9.423 -4.002 1.00 0.00 H new ATOM 280 N ASP A 19 15.020 6.933 -0.324 1.00 0.00 N ATOM 281 CA ASP A 19 16.377 6.573 0.091 1.00 0.00 C ATOM 282 C ASP A 19 16.490 5.076 0.339 1.00 0.00 C ATOM 283 O ASP A 19 17.402 4.622 1.030 1.00 0.00 O ATOM 284 CB ASP A 19 16.814 7.344 1.346 1.00 0.00 C ATOM 285 CG ASP A 19 16.938 8.834 1.105 1.00 0.00 C ATOM 286 OD1 ASP A 19 15.897 9.525 1.073 1.00 0.00 O ATOM 287 OD2 ASP A 19 18.075 9.320 0.934 1.00 0.00 O ATOM 0 H ASP A 19 14.952 7.222 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 19 17.043 6.850 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.093 7.168 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.772 6.955 1.691 1.00 0.00 H new ATOM 292 N GLY A 20 15.575 4.307 -0.237 1.00 0.00 N ATOM 293 CA GLY A 20 15.601 2.867 -0.062 1.00 0.00 C ATOM 294 C GLY A 20 14.771 2.416 1.121 1.00 0.00 C ATOM 295 O GLY A 20 14.745 1.230 1.455 1.00 0.00 O ATOM 0 H GLY A 20 14.815 4.654 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.230 2.387 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.631 2.538 0.074 1.00 0.00 H new ATOM 299 N LYS A 21 14.098 3.358 1.767 1.00 0.00 N ATOM 300 CA LYS A 21 13.285 3.041 2.931 1.00 0.00 C ATOM 301 C LYS A 21 11.808 3.291 2.646 1.00 0.00 C ATOM 302 O LYS A 21 11.454 4.238 1.943 1.00 0.00 O ATOM 303 CB LYS A 21 13.750 3.857 4.140 1.00 0.00 C ATOM 304 CG LYS A 21 15.241 3.737 4.413 1.00 0.00 C ATOM 305 CD LYS A 21 15.509 3.250 5.824 1.00 0.00 C ATOM 306 CE LYS A 21 16.953 2.803 6.006 1.00 0.00 C ATOM 307 NZ LYS A 21 17.920 3.924 5.874 1.00 0.00 N ATOM 0 H LYS A 21 14.099 4.344 1.506 1.00 0.00 H new ATOM 0 HA LYS A 21 13.408 1.982 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.501 4.906 3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.199 3.531 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.689 3.047 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.719 4.705 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.284 4.048 6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.840 2.421 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.066 2.344 6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.188 2.037 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.887 3.566 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.834 4.347 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.716 4.645 6.595 1.00 0.00 H new ATOM 321 N ILE A 22 10.959 2.444 3.209 1.00 0.00 N ATOM 322 CA ILE A 22 9.530 2.470 2.942 1.00 0.00 C ATOM 323 C ILE A 22 8.778 3.106 4.110 1.00 0.00 C ATOM 324 O ILE A 22 9.165 2.953 5.271 1.00 0.00 O ATOM 325 CB ILE A 22 8.990 1.038 2.703 1.00 0.00 C ATOM 326 CG1 ILE A 22 9.912 0.271 1.753 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.576 1.082 2.135 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.521 -1.180 1.580 1.00 0.00 C ATOM 0 H ILE A 22 11.243 1.717 3.866 1.00 0.00 H new ATOM 0 HA ILE A 22 9.369 3.066 2.043 1.00 0.00 H new ATOM 0 HB ILE A 22 8.963 0.521 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.906 0.760 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.934 0.322 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.216 0.066 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.918 1.593 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.582 1.619 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.216 -1.665 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.554 -1.683 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.511 -1.239 1.175 1.00 0.00 H new ATOM 340 N LEU A 23 7.713 3.825 3.780 1.00 0.00 N ATOM 341 CA LEU A 23 6.913 4.554 4.755 1.00 0.00 C ATOM 342 C LEU A 23 5.845 3.652 5.370 1.00 0.00 C ATOM 343 O LEU A 23 4.888 3.258 4.701 1.00 0.00 O ATOM 344 CB LEU A 23 6.249 5.744 4.057 1.00 0.00 C ATOM 345 CG LEU A 23 5.661 6.837 4.956 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.771 7.558 5.706 1.00 0.00 C ATOM 347 CD2 LEU A 23 4.855 7.814 4.106 1.00 0.00 C ATOM 0 H LEU A 23 7.378 3.919 2.821 1.00 0.00 H new ATOM 0 HA LEU A 23 7.562 4.903 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.986 6.206 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.450 5.362 3.422 1.00 0.00 H new ATOM 0 HG LEU A 23 4.999 6.383 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.338 8.332 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.316 6.844 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.455 8.015 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.436 8.592 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.506 8.269 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.046 7.280 3.606 1.00 0.00 H new ATOM 359 N LEU A 24 6.019 3.324 6.639 1.00 0.00 N ATOM 360 CA LEU A 24 5.013 2.557 7.368 1.00 0.00 C ATOM 361 C LEU A 24 4.235 3.473 8.295 1.00 0.00 C ATOM 362 O LEU A 24 4.827 4.304 8.985 1.00 0.00 O ATOM 363 CB LEU A 24 5.634 1.416 8.175 1.00 0.00 C ATOM 364 CG LEU A 24 6.183 0.254 7.359 1.00 0.00 C ATOM 365 CD1 LEU A 24 6.604 -0.888 8.271 1.00 0.00 C ATOM 366 CD2 LEU A 24 5.163 -0.216 6.329 1.00 0.00 C ATOM 0 H LEU A 24 6.842 3.574 7.187 1.00 0.00 H new ATOM 0 HA LEU A 24 4.342 2.116 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.442 1.823 8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.881 1.030 8.862 1.00 0.00 H new ATOM 0 HG LEU A 24 7.065 0.601 6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.994 -1.709 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.378 -0.541 8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.743 -1.234 8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.578 -1.047 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.256 -0.543 6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.924 0.605 5.653 1.00 0.00 H new ATOM 378 N ALA A 25 2.918 3.324 8.313 1.00 0.00 N ATOM 379 CA ALA A 25 2.069 4.174 9.131 1.00 0.00 C ATOM 380 C ALA A 25 1.341 3.374 10.202 1.00 0.00 C ATOM 381 O ALA A 25 0.733 2.345 9.912 1.00 0.00 O ATOM 382 CB ALA A 25 1.076 4.922 8.261 1.00 0.00 C ATOM 0 H ALA A 25 2.416 2.622 7.770 1.00 0.00 H new ATOM 0 HA ALA A 25 2.710 4.896 9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.447 5.554 8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.615 5.542 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.452 4.207 7.725 1.00 0.00 H new ATOM 388 N GLN A 26 1.444 3.835 11.442 1.00 0.00 N ATOM 389 CA GLN A 26 0.743 3.210 12.559 1.00 0.00 C ATOM 390 C GLN A 26 -0.762 3.433 12.457 1.00 0.00 C ATOM 391 O GLN A 26 -1.268 4.502 12.816 1.00 0.00 O ATOM 392 CB GLN A 26 1.260 3.760 13.891 1.00 0.00 C ATOM 393 CG GLN A 26 0.567 3.165 15.107 1.00 0.00 C ATOM 394 CD GLN A 26 1.018 3.800 16.408 1.00 0.00 C ATOM 395 OE1 GLN A 26 0.337 4.860 16.815 1.00 0.00 O flip ATOM 396 NE2 GLN A 26 1.966 3.343 17.041 1.00 0.00 N flip ATOM 0 H GLN A 26 2.009 4.644 11.701 1.00 0.00 H new ATOM 0 HA GLN A 26 0.937 2.138 12.516 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.330 3.567 13.963 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.130 4.842 13.903 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.511 3.288 15.002 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.763 2.093 15.144 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.465 2.524 16.693 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.255 3.782 17.915 1.00 0.00 H new ATOM 520 N GLY A 35 -0.029 0.130 17.428 1.00 0.00 N ATOM 521 CA GLY A 35 1.307 -0.416 17.293 1.00 0.00 C ATOM 522 C GLY A 35 1.559 -1.069 15.951 1.00 0.00 C ATOM 523 O GLY A 35 2.709 -1.204 15.538 1.00 0.00 O ATOM 0 HA2 GLY A 35 2.034 0.382 17.442 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.473 -1.150 18.082 1.00 0.00 H new ATOM 527 N LEU A 36 0.504 -1.500 15.269 1.00 0.00 N ATOM 528 CA LEU A 36 0.653 -2.115 13.954 1.00 0.00 C ATOM 529 C LEU A 36 0.940 -1.055 12.891 1.00 0.00 C ATOM 530 O LEU A 36 0.444 0.072 12.980 1.00 0.00 O ATOM 531 CB LEU A 36 -0.623 -2.886 13.553 1.00 0.00 C ATOM 532 CG LEU A 36 -1.138 -3.977 14.518 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.003 -4.843 15.038 1.00 0.00 C ATOM 534 CD2 LEU A 36 -1.944 -3.382 15.670 1.00 0.00 C ATOM 0 H LEU A 36 -0.458 -1.436 15.601 1.00 0.00 H new ATOM 0 HA LEU A 36 1.490 -2.811 14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.423 -2.159 13.411 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.442 -3.353 12.585 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.809 -4.616 13.944 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.403 -5.599 15.714 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.495 -5.331 14.200 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.714 -4.220 15.573 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.288 -4.182 16.325 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.316 -2.694 16.236 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.805 -2.844 15.272 1.00 0.00 H new ATOM 546 N TRP A 37 1.736 -1.421 11.890 1.00 0.00 N ATOM 547 CA TRP A 37 2.072 -0.504 10.804 1.00 0.00 C ATOM 548 C TRP A 37 1.573 -1.067 9.477 1.00 0.00 C ATOM 549 O TRP A 37 1.421 -2.281 9.332 1.00 0.00 O ATOM 550 CB TRP A 37 3.584 -0.248 10.719 1.00 0.00 C ATOM 551 CG TRP A 37 4.220 0.137 12.020 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.572 -0.698 13.037 1.00 0.00 C ATOM 553 CD2 TRP A 37 4.598 1.455 12.436 1.00 0.00 C ATOM 554 NE1 TRP A 37 5.128 0.017 14.067 1.00 0.00 N ATOM 555 CE2 TRP A 37 5.159 1.342 13.722 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.516 2.718 11.848 1.00 0.00 C ATOM 557 CZ2 TRP A 37 5.632 2.443 14.429 1.00 0.00 C ATOM 558 CZ3 TRP A 37 4.986 3.811 12.550 1.00 0.00 C ATOM 559 CH2 TRP A 37 5.538 3.667 13.827 1.00 0.00 C ATOM 0 H TRP A 37 2.160 -2.345 11.808 1.00 0.00 H new ATOM 0 HA TRP A 37 1.582 0.447 11.012 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.072 -1.147 10.342 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.766 0.543 9.991 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.433 -1.769 13.033 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.464 -0.375 14.947 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.093 2.839 10.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 6.057 2.335 15.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.926 4.793 12.105 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.898 4.541 14.349 1.00 0.00 H new ATOM 570 N GLU A 38 1.314 -0.188 8.522 1.00 0.00 N ATOM 571 CA GLU A 38 0.760 -0.591 7.234 1.00 0.00 C ATOM 572 C GLU A 38 1.435 0.172 6.099 1.00 0.00 C ATOM 573 O GLU A 38 2.210 1.105 6.344 1.00 0.00 O ATOM 574 CB GLU A 38 -0.735 -0.272 7.211 1.00 0.00 C ATOM 575 CG GLU A 38 -0.986 1.232 7.208 1.00 0.00 C ATOM 576 CD GLU A 38 -2.446 1.625 7.189 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.204 1.100 6.351 1.00 0.00 O ATOM 578 OE2 GLU A 38 -2.820 2.515 7.981 1.00 0.00 O ATOM 0 H GLU A 38 1.479 0.815 8.613 1.00 0.00 H new ATOM 0 HA GLU A 38 0.929 -1.659 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.190 -0.720 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.217 -0.721 8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.517 1.667 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.494 1.668 6.338 1.00 0.00 H new ATOM 585 N PHE A 39 1.132 -0.219 4.869 1.00 0.00 N ATOM 586 CA PHE A 39 1.511 0.566 3.702 1.00 0.00 C ATOM 587 C PHE A 39 0.391 1.546 3.377 1.00 0.00 C ATOM 588 O PHE A 39 -0.740 1.139 3.104 1.00 0.00 O ATOM 589 CB PHE A 39 1.790 -0.337 2.494 1.00 0.00 C ATOM 590 CG PHE A 39 2.973 -1.227 2.665 1.00 0.00 C ATOM 591 CD1 PHE A 39 4.244 -0.770 2.377 1.00 0.00 C ATOM 592 CD2 PHE A 39 2.814 -2.523 3.105 1.00 0.00 C ATOM 593 CE1 PHE A 39 5.335 -1.593 2.527 1.00 0.00 C ATOM 594 CE2 PHE A 39 3.898 -3.353 3.255 1.00 0.00 C ATOM 595 CZ PHE A 39 5.164 -2.889 2.968 1.00 0.00 C ATOM 0 H PHE A 39 0.624 -1.077 4.653 1.00 0.00 H new ATOM 0 HA PHE A 39 2.427 1.112 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.910 -0.951 2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.942 0.287 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.382 0.244 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.825 -2.891 3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.325 -1.225 2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.759 -4.368 3.597 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.019 -3.538 3.088 1.00 0.00 H new ATOM 605 N ALA A 40 0.705 2.836 3.424 1.00 0.00 N ATOM 606 CA ALA A 40 -0.295 3.877 3.212 1.00 0.00 C ATOM 607 C ALA A 40 -0.977 3.734 1.857 1.00 0.00 C ATOM 608 O ALA A 40 -0.371 3.284 0.892 1.00 0.00 O ATOM 609 CB ALA A 40 0.335 5.253 3.332 1.00 0.00 C ATOM 0 H ALA A 40 1.645 3.187 3.607 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.054 3.762 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.426 6.017 3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.763 5.372 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.121 5.360 2.584 1.00 0.00 H new ATOM 615 N GLY A 41 -2.232 4.134 1.792 1.00 0.00 N ATOM 616 CA GLY A 41 -3.001 4.000 0.578 1.00 0.00 C ATOM 617 C GLY A 41 -4.460 4.276 0.828 1.00 0.00 C ATOM 618 O GLY A 41 -4.801 5.284 1.445 1.00 0.00 O ATOM 0 H GLY A 41 -2.739 4.555 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.621 4.690 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.881 2.993 0.177 1.00 0.00 H new ATOM 622 N GLY A 42 -5.316 3.380 0.377 1.00 0.00 N ATOM 623 CA GLY A 42 -6.733 3.551 0.592 1.00 0.00 C ATOM 624 C GLY A 42 -7.568 2.733 -0.362 1.00 0.00 C ATOM 625 O GLY A 42 -7.140 1.682 -0.830 1.00 0.00 O ATOM 0 H GLY A 42 -5.056 2.537 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.978 3.270 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.989 4.605 0.481 1.00 0.00 H new ATOM 629 N LYS A 43 -8.744 3.237 -0.682 1.00 0.00 N ATOM 630 CA LYS A 43 -9.691 2.496 -1.499 1.00 0.00 C ATOM 631 C LYS A 43 -9.878 3.178 -2.846 1.00 0.00 C ATOM 632 O LYS A 43 -9.763 4.397 -2.959 1.00 0.00 O ATOM 633 CB LYS A 43 -11.038 2.347 -0.777 1.00 0.00 C ATOM 634 CG LYS A 43 -12.074 1.570 -1.571 1.00 0.00 C ATOM 635 CD LYS A 43 -13.394 1.474 -0.829 1.00 0.00 C ATOM 636 CE LYS A 43 -14.463 0.801 -1.671 1.00 0.00 C ATOM 637 NZ LYS A 43 -15.783 0.787 -0.984 1.00 0.00 N ATOM 0 H LYS A 43 -9.069 4.158 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.287 1.498 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.875 1.847 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.432 3.338 -0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.233 2.055 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.698 0.568 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.252 0.914 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.727 2.473 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.555 1.321 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.159 -0.222 -1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.486 0.319 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.702 0.269 -0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.086 1.764 -0.794 1.00 0.00 H new ATOM 651 N VAL A 44 -10.168 2.383 -3.862 1.00 0.00 N ATOM 652 CA VAL A 44 -10.358 2.896 -5.205 1.00 0.00 C ATOM 653 C VAL A 44 -11.838 3.125 -5.469 1.00 0.00 C ATOM 654 O VAL A 44 -12.632 2.184 -5.427 1.00 0.00 O ATOM 655 CB VAL A 44 -9.811 1.920 -6.268 1.00 0.00 C ATOM 656 CG1 VAL A 44 -9.933 2.514 -7.664 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.371 1.545 -5.967 1.00 0.00 C ATOM 0 H VAL A 44 -10.277 1.372 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.810 3.835 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.413 1.012 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.541 1.807 -8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.981 2.718 -7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.364 3.442 -7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.007 0.856 -6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.754 2.443 -5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.317 1.065 -4.990 1.00 0.00 H new ATOM 667 N GLU A 45 -12.209 4.367 -5.719 1.00 0.00 N ATOM 668 CA GLU A 45 -13.576 4.677 -6.085 1.00 0.00 C ATOM 669 C GLU A 45 -13.787 4.363 -7.558 1.00 0.00 C ATOM 670 O GLU A 45 -12.869 4.517 -8.361 1.00 0.00 O ATOM 671 CB GLU A 45 -13.877 6.151 -5.806 1.00 0.00 C ATOM 672 CG GLU A 45 -13.874 6.506 -4.327 1.00 0.00 C ATOM 673 CD GLU A 45 -15.011 5.849 -3.576 1.00 0.00 C ATOM 674 OE1 GLU A 45 -16.137 6.392 -3.604 1.00 0.00 O ATOM 675 OE2 GLU A 45 -14.792 4.786 -2.962 1.00 0.00 O ATOM 0 H GLU A 45 -11.586 5.173 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.256 4.070 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.139 6.767 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.850 6.400 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.926 6.201 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.945 7.588 -4.215 1.00 0.00 H new ATOM 682 N PRO A 46 -14.991 3.921 -7.944 1.00 0.00 N ATOM 683 CA PRO A 46 -15.304 3.612 -9.343 1.00 0.00 C ATOM 684 C PRO A 46 -15.238 4.852 -10.235 1.00 0.00 C ATOM 685 O PRO A 46 -15.344 4.762 -11.458 1.00 0.00 O ATOM 686 CB PRO A 46 -16.735 3.066 -9.285 1.00 0.00 C ATOM 687 CG PRO A 46 -17.294 3.576 -8.002 1.00 0.00 C ATOM 688 CD PRO A 46 -16.134 3.670 -7.053 1.00 0.00 C ATOM 0 HA PRO A 46 -14.590 2.910 -9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.323 3.411 -10.136 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.742 1.976 -9.313 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.764 4.549 -8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.060 2.904 -7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.268 4.477 -6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.005 2.751 -6.482 1.00 0.00 H new ATOM 696 N ASP A 47 -15.039 6.004 -9.611 1.00 0.00 N ATOM 697 CA ASP A 47 -14.984 7.275 -10.316 1.00 0.00 C ATOM 698 C ASP A 47 -13.543 7.630 -10.670 1.00 0.00 C ATOM 699 O ASP A 47 -13.283 8.458 -11.544 1.00 0.00 O ATOM 700 CB ASP A 47 -15.602 8.370 -9.440 1.00 0.00 C ATOM 701 CG ASP A 47 -15.556 9.745 -10.077 1.00 0.00 C ATOM 702 OD1 ASP A 47 -16.475 10.077 -10.862 1.00 0.00 O ATOM 703 OD2 ASP A 47 -14.612 10.508 -9.784 1.00 0.00 O ATOM 0 H ASP A 47 -14.911 6.083 -8.602 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.550 7.192 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.639 8.111 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.077 8.402 -8.485 1.00 0.00 H new ATOM 708 N GLU A 48 -12.615 6.960 -10.015 1.00 0.00 N ATOM 709 CA GLU A 48 -11.199 7.291 -10.131 1.00 0.00 C ATOM 710 C GLU A 48 -10.369 6.068 -10.497 1.00 0.00 C ATOM 711 O GLU A 48 -10.801 4.928 -10.328 1.00 0.00 O ATOM 712 CB GLU A 48 -10.699 7.900 -8.820 1.00 0.00 C ATOM 713 CG GLU A 48 -10.921 7.007 -7.613 1.00 0.00 C ATOM 714 CD GLU A 48 -10.592 7.692 -6.303 1.00 0.00 C ATOM 715 OE1 GLU A 48 -10.528 8.942 -6.268 1.00 0.00 O ATOM 716 OE2 GLU A 48 -10.403 6.979 -5.300 1.00 0.00 O ATOM 0 H GLU A 48 -12.813 6.177 -9.392 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.085 8.020 -10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.634 8.115 -8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.204 8.852 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.961 6.681 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.308 6.111 -7.713 1.00 0.00 H new ATOM 723 N SER A 49 -9.181 6.323 -11.016 1.00 0.00 N ATOM 724 CA SER A 49 -8.257 5.268 -11.382 1.00 0.00 C ATOM 725 C SER A 49 -7.503 4.784 -10.144 1.00 0.00 C ATOM 726 O SER A 49 -7.513 5.456 -9.113 1.00 0.00 O ATOM 727 CB SER A 49 -7.283 5.803 -12.427 1.00 0.00 C ATOM 728 OG SER A 49 -7.970 6.539 -13.426 1.00 0.00 O ATOM 0 H SER A 49 -8.832 7.265 -11.195 1.00 0.00 H new ATOM 0 HA SER A 49 -8.805 4.424 -11.800 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.540 6.440 -11.946 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.744 4.974 -12.886 1.00 0.00 H new ATOM 0 HG SER A 49 -7.327 6.875 -14.085 1.00 0.00 H new ATOM 734 N GLN A 50 -6.845 3.635 -10.245 1.00 0.00 N ATOM 735 CA GLN A 50 -6.126 3.073 -9.106 1.00 0.00 C ATOM 736 C GLN A 50 -4.988 3.987 -8.668 1.00 0.00 C ATOM 737 O GLN A 50 -4.795 4.222 -7.474 1.00 0.00 O ATOM 738 CB GLN A 50 -5.582 1.682 -9.429 1.00 0.00 C ATOM 739 CG GLN A 50 -6.665 0.636 -9.639 1.00 0.00 C ATOM 740 CD GLN A 50 -6.105 -0.768 -9.777 1.00 0.00 C ATOM 741 OE1 GLN A 50 -5.054 -1.092 -9.218 1.00 0.00 O ATOM 742 NE2 GLN A 50 -6.803 -1.611 -10.518 1.00 0.00 N ATOM 0 H GLN A 50 -6.794 3.077 -11.097 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.837 2.986 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.968 1.741 -10.327 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.930 1.359 -8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.360 0.665 -8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.236 0.885 -10.534 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.667 -1.303 -10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.477 -2.569 -10.644 1.00 0.00 H new ATOM 751 N ARG A 51 -4.241 4.510 -9.632 1.00 0.00 N ATOM 752 CA ARG A 51 -3.144 5.415 -9.321 1.00 0.00 C ATOM 753 C ARG A 51 -3.686 6.740 -8.818 1.00 0.00 C ATOM 754 O ARG A 51 -3.096 7.364 -7.940 1.00 0.00 O ATOM 755 CB ARG A 51 -2.254 5.660 -10.536 1.00 0.00 C ATOM 756 CG ARG A 51 -1.676 4.393 -11.143 1.00 0.00 C ATOM 757 CD ARG A 51 -0.528 4.701 -12.090 1.00 0.00 C ATOM 758 NE ARG A 51 -0.919 5.608 -13.166 1.00 0.00 N ATOM 759 CZ ARG A 51 -0.143 5.902 -14.210 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.038 5.311 -14.352 1.00 0.00 N ATOM 761 NH2 ARG A 51 -0.551 6.781 -15.113 1.00 0.00 N ATOM 0 H ARG A 51 -4.373 4.325 -10.626 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.541 4.944 -8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.832 6.185 -11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.435 6.319 -10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.326 3.735 -10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.458 3.856 -11.680 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.294 5.143 -11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.156 3.771 -12.520 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.840 6.042 -13.116 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.354 4.630 -13.661 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.629 5.538 -15.152 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.459 7.234 -15.010 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.043 7.005 -15.911 1.00 0.00 H new ATOM 775 N GLN A 52 -4.833 7.146 -9.354 1.00 0.00 N ATOM 776 CA GLN A 52 -5.449 8.405 -8.968 1.00 0.00 C ATOM 777 C GLN A 52 -5.895 8.318 -7.520 1.00 0.00 C ATOM 778 O GLN A 52 -5.715 9.257 -6.743 1.00 0.00 O ATOM 779 CB GLN A 52 -6.652 8.711 -9.864 1.00 0.00 C ATOM 780 CG GLN A 52 -7.370 10.002 -9.505 1.00 0.00 C ATOM 781 CD GLN A 52 -6.547 11.232 -9.819 1.00 0.00 C ATOM 782 OE1 GLN A 52 -5.756 11.694 -8.999 1.00 0.00 O ATOM 783 NE2 GLN A 52 -6.733 11.775 -11.009 1.00 0.00 N ATOM 0 H GLN A 52 -5.352 6.620 -10.057 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.721 9.208 -9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.317 8.768 -10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.359 7.884 -9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.313 10.052 -10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.614 9.994 -8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.399 11.360 -11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.210 12.609 -11.276 1.00 0.00 H new ATOM 792 N ALA A 53 -6.462 7.168 -7.170 1.00 0.00 N ATOM 793 CA ALA A 53 -6.899 6.908 -5.811 1.00 0.00 C ATOM 794 C ALA A 53 -5.734 7.049 -4.850 1.00 0.00 C ATOM 795 O ALA A 53 -5.822 7.788 -3.882 1.00 0.00 O ATOM 796 CB ALA A 53 -7.520 5.522 -5.703 1.00 0.00 C ATOM 0 H ALA A 53 -6.629 6.398 -7.818 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.660 7.642 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.841 5.346 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.380 5.456 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.783 4.770 -5.986 1.00 0.00 H new ATOM 802 N LEU A 54 -4.625 6.378 -5.147 1.00 0.00 N ATOM 803 CA LEU A 54 -3.434 6.468 -4.308 1.00 0.00 C ATOM 804 C LEU A 54 -2.954 7.902 -4.190 1.00 0.00 C ATOM 805 O LEU A 54 -2.677 8.383 -3.098 1.00 0.00 O ATOM 806 CB LEU A 54 -2.303 5.604 -4.869 1.00 0.00 C ATOM 807 CG LEU A 54 -2.397 4.122 -4.537 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.214 3.372 -5.123 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.470 3.929 -3.029 1.00 0.00 C ATOM 0 H LEU A 54 -4.526 5.768 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.709 6.103 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.284 5.717 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.354 5.985 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.307 3.717 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.296 2.313 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.207 3.493 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.288 3.770 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.537 2.865 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.575 4.344 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.350 4.440 -2.639 1.00 0.00 H new ATOM 821 N VAL A 55 -2.879 8.582 -5.320 1.00 0.00 N ATOM 822 CA VAL A 55 -2.394 9.952 -5.358 1.00 0.00 C ATOM 823 C VAL A 55 -3.237 10.860 -4.462 1.00 0.00 C ATOM 824 O VAL A 55 -2.700 11.664 -3.698 1.00 0.00 O ATOM 825 CB VAL A 55 -2.368 10.497 -6.803 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.115 11.998 -6.815 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.300 9.775 -7.616 1.00 0.00 C ATOM 0 H VAL A 55 -3.149 8.206 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.373 9.947 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.343 10.314 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.101 12.356 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.908 12.505 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.155 12.209 -6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.290 10.167 -8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.324 9.933 -7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.521 8.708 -7.640 1.00 0.00 H new ATOM 837 N ARG A 56 -4.552 10.708 -4.530 1.00 0.00 N ATOM 838 CA ARG A 56 -5.435 11.535 -3.723 1.00 0.00 C ATOM 839 C ARG A 56 -5.479 11.044 -2.271 1.00 0.00 C ATOM 840 O ARG A 56 -5.464 11.856 -1.349 1.00 0.00 O ATOM 841 CB ARG A 56 -6.839 11.633 -4.354 1.00 0.00 C ATOM 842 CG ARG A 56 -7.612 10.326 -4.454 1.00 0.00 C ATOM 843 CD ARG A 56 -8.513 10.106 -3.254 1.00 0.00 C ATOM 844 NE ARG A 56 -9.347 8.924 -3.415 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.027 8.360 -2.427 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.000 8.884 -1.209 1.00 0.00 N ATOM 847 NH2 ARG A 56 -10.733 7.269 -2.664 1.00 0.00 N ATOM 0 H ARG A 56 -5.025 10.030 -5.127 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.029 12.546 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.430 12.339 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.738 12.051 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.213 10.329 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.911 9.496 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.904 10.002 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.146 10.981 -3.110 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.412 8.505 -4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.454 9.726 -1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.526 8.445 -0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.752 6.867 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.259 6.828 -1.910 1.00 0.00 H new ATOM 861 N GLU A 57 -5.503 9.727 -2.069 1.00 0.00 N ATOM 862 CA GLU A 57 -5.463 9.150 -0.720 1.00 0.00 C ATOM 863 C GLU A 57 -4.223 9.621 0.036 1.00 0.00 C ATOM 864 O GLU A 57 -4.304 10.025 1.193 1.00 0.00 O ATOM 865 CB GLU A 57 -5.474 7.616 -0.778 1.00 0.00 C ATOM 866 CG GLU A 57 -6.815 7.008 -1.172 1.00 0.00 C ATOM 867 CD GLU A 57 -7.830 6.993 -0.042 1.00 0.00 C ATOM 868 OE1 GLU A 57 -7.971 8.016 0.657 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.516 5.958 0.131 1.00 0.00 O ATOM 0 H GLU A 57 -5.550 9.038 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.353 9.491 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.717 7.286 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.185 7.226 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.226 7.569 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.654 5.987 -1.519 1.00 0.00 H new ATOM 876 N LEU A 58 -3.075 9.586 -0.627 1.00 0.00 N ATOM 877 CA LEU A 58 -1.834 10.019 0.000 1.00 0.00 C ATOM 878 C LEU A 58 -1.839 11.531 0.191 1.00 0.00 C ATOM 879 O LEU A 58 -1.225 12.043 1.113 1.00 0.00 O ATOM 880 CB LEU A 58 -0.613 9.607 -0.816 1.00 0.00 C ATOM 881 CG LEU A 58 -0.546 8.125 -1.194 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.765 7.814 -1.889 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.728 7.241 0.029 1.00 0.00 C ATOM 0 H LEU A 58 -2.977 9.265 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.770 9.528 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.592 10.199 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.284 9.861 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.362 7.914 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.796 6.756 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.848 8.415 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.595 8.047 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.676 6.194 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.060 7.453 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.699 7.442 0.482 1.00 0.00 H new ATOM 895 N ARG A 59 -2.512 12.249 -0.694 1.00 0.00 N ATOM 896 CA ARG A 59 -2.690 13.683 -0.513 1.00 0.00 C ATOM 897 C ARG A 59 -3.490 13.967 0.757 1.00 0.00 C ATOM 898 O ARG A 59 -3.199 14.911 1.493 1.00 0.00 O ATOM 899 CB ARG A 59 -3.377 14.302 -1.733 1.00 0.00 C ATOM 900 CG ARG A 59 -3.683 15.781 -1.572 1.00 0.00 C ATOM 901 CD ARG A 59 -4.227 16.385 -2.857 1.00 0.00 C ATOM 902 NE ARG A 59 -4.536 17.806 -2.701 1.00 0.00 N ATOM 903 CZ ARG A 59 -3.974 18.777 -3.421 1.00 0.00 C ATOM 904 NH1 ARG A 59 -3.112 18.485 -4.387 1.00 0.00 N ATOM 905 NH2 ARG A 59 -4.285 20.042 -3.183 1.00 0.00 N ATOM 0 H ARG A 59 -2.941 11.868 -1.538 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.706 14.140 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.741 14.164 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.306 13.766 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.408 15.917 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.777 16.310 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.497 16.257 -3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.127 15.848 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.225 18.071 -1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.876 17.512 -4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.686 19.233 -4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.954 20.273 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.855 20.785 -3.734 1.00 0.00 H new ATOM 919 N GLU A 60 -4.482 13.130 1.023 1.00 0.00 N ATOM 920 CA GLU A 60 -5.333 13.314 2.184 1.00 0.00 C ATOM 921 C GLU A 60 -4.660 12.784 3.450 1.00 0.00 C ATOM 922 O GLU A 60 -4.674 13.441 4.490 1.00 0.00 O ATOM 923 CB GLU A 60 -6.693 12.630 1.970 1.00 0.00 C ATOM 924 CG GLU A 60 -7.382 13.034 0.668 1.00 0.00 C ATOM 925 CD GLU A 60 -8.832 12.587 0.583 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.706 13.283 1.150 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.115 11.558 -0.073 1.00 0.00 O ATOM 0 H GLU A 60 -4.715 12.319 0.450 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.498 14.384 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.552 11.549 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.347 12.871 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.338 14.118 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.830 12.611 -0.172 1.00 0.00 H new ATOM 934 N GLU A 61 -4.046 11.614 3.357 1.00 0.00 N ATOM 935 CA GLU A 61 -3.476 10.969 4.534 1.00 0.00 C ATOM 936 C GLU A 61 -2.011 11.324 4.754 1.00 0.00 C ATOM 937 O GLU A 61 -1.558 11.385 5.896 1.00 0.00 O ATOM 938 CB GLU A 61 -3.616 9.452 4.444 1.00 0.00 C ATOM 939 CG GLU A 61 -5.046 8.984 4.320 1.00 0.00 C ATOM 940 CD GLU A 61 -5.783 9.071 5.638 1.00 0.00 C ATOM 941 OE1 GLU A 61 -5.884 10.184 6.199 1.00 0.00 O ATOM 942 OE2 GLU A 61 -6.206 8.015 6.148 1.00 0.00 O ATOM 0 H GLU A 61 -3.929 11.094 2.487 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.042 11.345 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.049 9.093 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.170 9.001 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.563 9.588 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.062 7.954 3.962 1.00 0.00 H new ATOM 949 N LEU A 62 -1.262 11.537 3.680 1.00 0.00 N ATOM 950 CA LEU A 62 0.172 11.771 3.807 1.00 0.00 C ATOM 951 C LEU A 62 0.565 13.181 3.382 1.00 0.00 C ATOM 952 O LEU A 62 1.749 13.520 3.388 1.00 0.00 O ATOM 953 CB LEU A 62 0.957 10.763 2.969 1.00 0.00 C ATOM 954 CG LEU A 62 0.681 9.291 3.269 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.592 8.417 2.426 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.871 8.994 4.751 1.00 0.00 C ATOM 0 H LEU A 62 -1.616 11.553 2.724 1.00 0.00 H new ATOM 0 HA LEU A 62 0.416 11.650 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.740 10.947 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.021 10.950 3.112 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.356 9.070 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.392 7.368 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.407 8.611 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.632 8.644 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.669 7.940 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.897 9.224 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.184 9.606 5.336 1.00 0.00 H new ATOM 968 N GLY A 63 -0.421 14.010 3.052 1.00 0.00 N ATOM 969 CA GLY A 63 -0.144 15.345 2.544 1.00 0.00 C ATOM 970 C GLY A 63 0.821 15.386 1.362 1.00 0.00 C ATOM 971 O GLY A 63 1.503 16.393 1.163 1.00 0.00 O ATOM 0 H GLY A 63 -1.412 13.781 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.084 15.808 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.266 15.950 3.353 1.00 0.00 H new ATOM 975 N ILE A 64 0.874 14.325 0.563 1.00 0.00 N ATOM 976 CA ILE A 64 1.777 14.301 -0.586 1.00 0.00 C ATOM 977 C ILE A 64 1.043 13.894 -1.848 1.00 0.00 C ATOM 978 O ILE A 64 0.168 13.031 -1.825 1.00 0.00 O ATOM 979 CB ILE A 64 2.994 13.348 -0.409 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.544 11.892 -0.221 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.870 13.787 0.748 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.695 10.903 -0.191 1.00 0.00 C ATOM 0 H ILE A 64 0.313 13.482 0.685 1.00 0.00 H new ATOM 0 HA ILE A 64 2.154 15.321 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 64 3.584 13.403 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.981 11.811 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.864 11.623 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.712 13.102 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.242 14.794 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.287 13.781 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.305 9.894 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.245 10.956 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.363 11.147 0.635 1.00 0.00 H new ATOM 994 N GLU A 65 1.401 14.525 -2.948 1.00 0.00 N ATOM 995 CA GLU A 65 0.911 14.106 -4.244 1.00 0.00 C ATOM 996 C GLU A 65 1.918 13.146 -4.845 1.00 0.00 C ATOM 997 O GLU A 65 2.930 13.561 -5.403 1.00 0.00 O ATOM 998 CB GLU A 65 0.701 15.301 -5.168 1.00 0.00 C ATOM 999 CG GLU A 65 -0.191 16.375 -4.579 1.00 0.00 C ATOM 1000 CD GLU A 65 -0.342 17.563 -5.500 1.00 0.00 C ATOM 1001 OE1 GLU A 65 -1.152 17.483 -6.449 1.00 0.00 O ATOM 1002 OE2 GLU A 65 0.333 18.586 -5.268 1.00 0.00 O ATOM 0 H GLU A 65 2.029 15.329 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.055 13.615 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.670 15.738 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.266 14.953 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.174 15.953 -4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.223 16.706 -3.627 1.00 0.00 H new ATOM 1009 N ALA A 66 1.662 11.865 -4.688 1.00 0.00 N ATOM 1010 CA ALA A 66 2.607 10.851 -5.112 1.00 0.00 C ATOM 1011 C ALA A 66 2.552 10.637 -6.613 1.00 0.00 C ATOM 1012 O ALA A 66 1.563 10.961 -7.265 1.00 0.00 O ATOM 1013 CB ALA A 66 2.341 9.549 -4.386 1.00 0.00 C ATOM 0 H ALA A 66 0.807 11.499 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 66 3.608 11.200 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.058 8.796 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.443 9.704 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.330 9.208 -4.609 1.00 0.00 H new ATOM 1019 N THR A 67 3.623 10.098 -7.152 1.00 0.00 N ATOM 1020 CA THR A 67 3.685 9.775 -8.557 1.00 0.00 C ATOM 1021 C THR A 67 3.710 8.264 -8.706 1.00 0.00 C ATOM 1022 O THR A 67 4.705 7.624 -8.396 1.00 0.00 O ATOM 1023 CB THR A 67 4.931 10.395 -9.214 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.989 11.794 -8.908 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.906 10.207 -10.725 1.00 0.00 C ATOM 0 H THR A 67 4.470 9.873 -6.631 1.00 0.00 H new ATOM 0 HA THR A 67 2.809 10.187 -9.059 1.00 0.00 H new ATOM 0 HB THR A 67 5.813 9.890 -8.819 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.784 12.187 -9.325 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.798 10.655 -11.162 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.882 9.143 -10.959 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.019 10.689 -11.137 1.00 0.00 H new ATOM 1033 N VAL A 68 2.596 7.698 -9.134 1.00 0.00 N ATOM 1034 CA VAL A 68 2.476 6.255 -9.231 1.00 0.00 C ATOM 1035 C VAL A 68 2.798 5.802 -10.650 1.00 0.00 C ATOM 1036 O VAL A 68 2.254 6.342 -11.609 1.00 0.00 O ATOM 1037 CB VAL A 68 1.062 5.783 -8.842 1.00 0.00 C ATOM 1038 CG1 VAL A 68 1.010 4.270 -8.753 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.628 6.407 -7.528 1.00 0.00 C ATOM 0 H VAL A 68 1.764 8.214 -9.419 1.00 0.00 H new ATOM 0 HA VAL A 68 3.186 5.810 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 68 0.370 6.107 -9.620 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.003 3.956 -8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.272 3.839 -9.719 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.717 3.925 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.373 6.059 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.324 6.118 -6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.621 7.493 -7.625 1.00 0.00 H new ATOM 1049 N GLY A 69 3.681 4.820 -10.791 1.00 0.00 N ATOM 1050 CA GLY A 69 4.086 4.404 -12.118 1.00 0.00 C ATOM 1051 C GLY A 69 4.988 3.187 -12.120 1.00 0.00 C ATOM 1052 O GLY A 69 6.109 3.263 -12.623 1.00 0.00 O ATOM 0 H GLY A 69 4.118 4.312 -10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.197 4.188 -12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.602 5.230 -12.608 1.00 0.00 H new ATOM 1056 N GLU A 70 4.470 2.052 -11.624 1.00 0.00 N ATOM 1057 CA GLU A 70 5.234 0.802 -11.502 1.00 0.00 C ATOM 1058 C GLU A 70 4.500 -0.182 -10.587 1.00 0.00 C ATOM 1059 O GLU A 70 3.817 0.211 -9.637 1.00 0.00 O ATOM 1060 CB GLU A 70 6.676 1.018 -11.027 1.00 0.00 C ATOM 1061 CG GLU A 70 6.817 1.822 -9.755 1.00 0.00 C ATOM 1062 CD GLU A 70 8.264 1.989 -9.363 1.00 0.00 C ATOM 1063 OE1 GLU A 70 8.918 0.973 -9.055 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.757 3.131 -9.337 1.00 0.00 O ATOM 0 H GLU A 70 3.507 1.976 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 70 5.305 0.379 -12.504 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.143 0.044 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.232 1.519 -11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.360 2.802 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.276 1.327 -8.949 1.00 0.00 H new ATOM 1071 N TYR A 71 4.652 -1.463 -10.896 1.00 0.00 N ATOM 1072 CA TYR A 71 3.898 -2.527 -10.258 1.00 0.00 C ATOM 1073 C TYR A 71 4.757 -3.288 -9.255 1.00 0.00 C ATOM 1074 O TYR A 71 5.822 -3.785 -9.612 1.00 0.00 O ATOM 1075 CB TYR A 71 3.412 -3.500 -11.324 1.00 0.00 C ATOM 1076 CG TYR A 71 2.482 -2.894 -12.351 1.00 0.00 C ATOM 1077 CD1 TYR A 71 1.117 -2.841 -12.123 1.00 0.00 C ATOM 1078 CD2 TYR A 71 2.968 -2.390 -13.552 1.00 0.00 C ATOM 1079 CE1 TYR A 71 0.256 -2.302 -13.060 1.00 0.00 C ATOM 1080 CE2 TYR A 71 2.115 -1.852 -14.496 1.00 0.00 C ATOM 1081 CZ TYR A 71 0.761 -1.810 -14.245 1.00 0.00 C ATOM 1082 OH TYR A 71 -0.092 -1.284 -15.195 1.00 0.00 O ATOM 0 H TYR A 71 5.309 -1.793 -11.603 1.00 0.00 H new ATOM 0 HA TYR A 71 3.057 -2.081 -9.728 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.278 -3.918 -11.838 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.901 -4.329 -10.835 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.718 -3.228 -11.197 1.00 0.00 H new ATOM 0 HD2 TYR A 71 4.029 -2.420 -13.750 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.806 -2.266 -12.865 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.507 -1.467 -15.425 1.00 0.00 H new ATOM 0 HH TYR A 71 0.427 -0.981 -15.969 1.00 0.00 H new ATOM 1092 N VAL A 72 4.310 -3.376 -8.009 1.00 0.00 N ATOM 1093 CA VAL A 72 4.985 -4.233 -7.039 1.00 0.00 C ATOM 1094 C VAL A 72 4.328 -5.608 -6.974 1.00 0.00 C ATOM 1095 O VAL A 72 4.887 -6.593 -7.457 1.00 0.00 O ATOM 1096 CB VAL A 72 4.970 -3.613 -5.631 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.612 -4.554 -4.623 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.672 -2.268 -5.638 1.00 0.00 C ATOM 0 H VAL A 72 3.498 -2.875 -7.649 1.00 0.00 H new ATOM 0 HA VAL A 72 6.017 -4.334 -7.374 1.00 0.00 H new ATOM 0 HB VAL A 72 3.933 -3.456 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.591 -4.097 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.060 -5.494 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.645 -4.747 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.653 -1.842 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.706 -2.399 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.162 -1.595 -6.327 1.00 0.00 H new ATOM 1108 N ALA A 73 3.127 -5.662 -6.412 1.00 0.00 N ATOM 1109 CA ALA A 73 2.380 -6.914 -6.326 1.00 0.00 C ATOM 1110 C ALA A 73 0.911 -6.658 -6.028 1.00 0.00 C ATOM 1111 O ALA A 73 0.511 -5.521 -5.791 1.00 0.00 O ATOM 1112 CB ALA A 73 2.974 -7.819 -5.256 1.00 0.00 C ATOM 0 H ALA A 73 2.649 -4.856 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 73 2.454 -7.410 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.404 -8.747 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.011 -8.043 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.932 -7.316 -4.290 1.00 0.00 H new ATOM 1118 N SER A 74 0.110 -7.712 -6.059 1.00 0.00 N ATOM 1119 CA SER A 74 -1.287 -7.622 -5.676 1.00 0.00 C ATOM 1120 C SER A 74 -1.668 -8.810 -4.795 1.00 0.00 C ATOM 1121 O SER A 74 -1.103 -9.895 -4.928 1.00 0.00 O ATOM 1122 CB SER A 74 -2.174 -7.583 -6.920 1.00 0.00 C ATOM 1123 OG SER A 74 -1.756 -6.559 -7.810 1.00 0.00 O ATOM 0 H SER A 74 0.408 -8.644 -6.348 1.00 0.00 H new ATOM 0 HA SER A 74 -1.437 -6.702 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.139 -8.547 -7.427 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.210 -7.415 -6.627 1.00 0.00 H new ATOM 0 HG SER A 74 -2.337 -6.554 -8.599 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.604 -8.591 -3.884 1.00 0.00 N ATOM 1130 CA HIS A 75 -3.091 -9.651 -3.009 1.00 0.00 C ATOM 1131 C HIS A 75 -4.602 -9.535 -2.840 1.00 0.00 C ATOM 1132 O HIS A 75 -5.125 -8.448 -2.594 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.400 -9.590 -1.640 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.926 -10.598 -0.655 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -3.458 -10.247 0.566 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -3.015 -11.947 -0.725 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -3.854 -11.338 1.200 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.599 -12.381 0.438 1.00 0.00 N ATOM 0 H HIS A 75 -3.045 -7.684 -3.730 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.855 -10.611 -3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.330 -9.750 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.523 -8.590 -1.224 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.687 -12.568 -1.546 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.310 -11.368 2.179 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.802 -13.352 0.674 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.297 -10.654 -2.969 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.742 -10.663 -2.808 1.00 0.00 C ATOM 1149 C GLN A 76 -7.170 -11.490 -1.607 1.00 0.00 C ATOM 1150 O GLN A 76 -6.564 -12.510 -1.283 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.439 -11.164 -4.072 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.469 -10.125 -5.179 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.328 -10.526 -6.363 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -8.917 -9.674 -7.028 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -8.394 -11.814 -6.646 1.00 0.00 N ATOM 0 H GLN A 76 -4.887 -11.563 -3.184 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.047 -9.631 -2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.929 -12.058 -4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.460 -11.456 -3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.840 -9.184 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.451 -9.944 -5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.891 -12.489 -6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.948 -12.134 -7.440 1.00 0.00 H new ATOM 1164 N ARG A 77 -8.218 -11.022 -0.957 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.781 -11.663 0.221 1.00 0.00 C ATOM 1166 C ARG A 77 -10.225 -11.213 0.333 1.00 0.00 C ATOM 1167 O ARG A 77 -10.656 -10.389 -0.459 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.994 -11.276 1.480 1.00 0.00 C ATOM 1169 CG ARG A 77 -8.110 -9.804 1.847 1.00 0.00 C ATOM 1170 CD ARG A 77 -7.283 -9.467 3.076 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.569 -8.122 3.576 1.00 0.00 N ATOM 1172 CZ ARG A 77 -7.936 -7.856 4.833 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -8.077 -8.844 5.710 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -8.164 -6.601 5.207 1.00 0.00 N ATOM 0 H ARG A 77 -8.711 -10.173 -1.235 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.724 -12.748 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.346 -11.879 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.943 -11.522 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.781 -9.192 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.155 -9.556 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.485 -10.196 3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.223 -9.546 2.833 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.483 -7.341 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.905 -9.808 5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.357 -8.639 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.059 -5.841 4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.444 -6.398 6.166 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.986 -11.735 1.274 1.00 0.00 N ATOM 1189 CA GLU A 78 -12.362 -11.289 1.414 1.00 0.00 C ATOM 1190 C GLU A 78 -12.607 -10.661 2.778 1.00 0.00 C ATOM 1191 O GLU A 78 -11.919 -10.963 3.753 1.00 0.00 O ATOM 1192 CB GLU A 78 -13.360 -12.427 1.176 1.00 0.00 C ATOM 1193 CG GLU A 78 -13.540 -13.359 2.360 1.00 0.00 C ATOM 1194 CD GLU A 78 -14.661 -14.349 2.145 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -15.814 -14.031 2.499 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -14.396 -15.451 1.621 1.00 0.00 O ATOM 0 H GLU A 78 -10.688 -12.450 1.938 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.522 -10.531 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.328 -11.997 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.030 -13.010 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.610 -13.899 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.744 -12.771 3.255 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.573 -9.760 2.816 1.00 0.00 N ATOM 1204 CA VAL A 79 -14.062 -9.211 4.059 1.00 0.00 C ATOM 1205 C VAL A 79 -15.555 -9.516 4.163 1.00 0.00 C ATOM 1206 O VAL A 79 -16.397 -8.796 3.619 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.791 -7.688 4.198 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -14.236 -6.925 2.960 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.470 -7.131 5.442 1.00 0.00 C ATOM 0 H VAL A 79 -14.037 -9.392 1.985 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.520 -9.679 4.880 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.714 -7.555 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.031 -5.863 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.692 -7.293 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.305 -7.071 2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.267 -6.063 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.546 -7.292 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.084 -7.639 6.326 1.00 0.00 H new ATOM 1219 N SER A 80 -15.856 -10.626 4.825 1.00 0.00 N ATOM 1220 CA SER A 80 -17.223 -11.093 5.014 1.00 0.00 C ATOM 1221 C SER A 80 -18.038 -11.046 3.715 1.00 0.00 C ATOM 1222 O SER A 80 -18.995 -10.276 3.591 1.00 0.00 O ATOM 1223 CB SER A 80 -17.887 -10.271 6.112 1.00 0.00 C ATOM 1224 OG SER A 80 -17.088 -10.287 7.286 1.00 0.00 O ATOM 0 H SER A 80 -15.153 -11.232 5.249 1.00 0.00 H new ATOM 0 HA SER A 80 -17.189 -12.140 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 80 -18.028 -9.245 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.876 -10.674 6.331 1.00 0.00 H new ATOM 0 HG SER A 80 -17.523 -9.755 7.985 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.646 -11.864 2.742 1.00 0.00 N ATOM 1231 CA GLY A 81 -18.386 -11.951 1.495 1.00 0.00 C ATOM 1232 C GLY A 81 -17.914 -10.977 0.429 1.00 0.00 C ATOM 1233 O GLY A 81 -18.132 -11.200 -0.759 1.00 0.00 O ATOM 0 H GLY A 81 -16.827 -12.470 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -18.306 -12.966 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -19.442 -11.770 1.697 1.00 0.00 H new ATOM 1237 N ARG A 82 -17.274 -9.893 0.837 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.770 -8.918 -0.122 1.00 0.00 C ATOM 1239 C ARG A 82 -15.320 -9.220 -0.467 1.00 0.00 C ATOM 1240 O ARG A 82 -14.495 -9.388 0.420 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.892 -7.494 0.428 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.321 -7.067 0.717 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.403 -5.584 1.053 1.00 0.00 C ATOM 1244 NE ARG A 82 -19.770 -5.155 1.350 1.00 0.00 N ATOM 1245 CZ ARG A 82 -20.392 -4.155 0.726 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -19.774 -3.464 -0.224 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -21.630 -3.827 1.071 1.00 0.00 N ATOM 0 H ARG A 82 -17.092 -9.666 1.814 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.374 -8.989 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.308 -7.418 1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.453 -6.799 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.948 -7.280 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.716 -7.652 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.764 -5.372 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.016 -5.003 0.216 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.279 -5.653 2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.815 -3.697 -0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.258 -2.700 -0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.105 -4.340 1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.107 -3.062 0.594 1.00 0.00 H new ATOM 1261 N ILE A 83 -15.000 -9.272 -1.747 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.649 -9.623 -2.170 1.00 0.00 C ATOM 1263 C ILE A 83 -12.788 -8.371 -2.289 1.00 0.00 C ATOM 1264 O ILE A 83 -13.061 -7.487 -3.100 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.639 -10.419 -3.505 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.948 -11.903 -3.262 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -12.301 -10.281 -4.225 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -15.309 -12.176 -2.663 1.00 0.00 C ATOM 0 H ILE A 83 -15.649 -9.078 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.229 -10.274 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.418 -9.995 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.870 -12.436 -4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.186 -12.315 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.328 -10.850 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.114 -9.230 -4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.504 -10.664 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.438 -13.250 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.389 -11.676 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -16.083 -11.799 -3.332 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.766 -8.293 -1.454 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.865 -7.158 -1.453 1.00 0.00 C ATOM 1282 C ILE A 84 -9.674 -7.413 -2.363 1.00 0.00 C ATOM 1283 O ILE A 84 -9.016 -8.453 -2.280 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.343 -6.811 -0.043 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -11.090 -7.573 1.043 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.481 -5.329 0.220 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.963 -6.915 2.399 1.00 0.00 C ATOM 0 H ILE A 84 -11.540 -9.009 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.447 -6.312 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.293 -7.102 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -12.144 -7.644 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.706 -8.591 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.108 -5.100 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.904 -4.773 -0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.531 -5.043 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.513 -7.497 3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.912 -6.868 2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.372 -5.906 2.354 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.402 -6.449 -3.217 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.306 -6.532 -4.162 1.00 0.00 C ATOM 1301 C HIS A 85 -7.265 -5.474 -3.824 1.00 0.00 C ATOM 1302 O HIS A 85 -7.449 -4.296 -4.127 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.838 -6.339 -5.589 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.789 -6.399 -6.662 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -7.694 -5.468 -7.670 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -6.809 -7.303 -6.900 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -6.706 -5.795 -8.476 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.149 -6.907 -8.036 1.00 0.00 N ATOM 0 H HIS A 85 -9.936 -5.582 -3.276 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.837 -7.514 -4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.588 -7.104 -5.789 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.343 -5.375 -5.647 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.296 -4.651 -7.776 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.587 -8.176 -6.304 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.401 -5.244 -9.353 1.00 0.00 H new ATOM 1317 N LEU A 86 -6.186 -5.888 -3.175 1.00 0.00 N ATOM 1318 CA LEU A 86 -5.134 -4.961 -2.788 1.00 0.00 C ATOM 1319 C LEU A 86 -4.053 -4.914 -3.851 1.00 0.00 C ATOM 1320 O LEU A 86 -3.421 -5.926 -4.154 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.512 -5.340 -1.437 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.313 -4.930 -0.201 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.391 -5.955 0.114 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.381 -4.729 0.984 1.00 0.00 C ATOM 0 H LEU A 86 -6.017 -6.857 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.590 -3.976 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.370 -6.420 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.523 -4.887 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.813 -3.984 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.946 -5.639 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.073 -6.038 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.928 -6.923 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.962 -4.437 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.853 -5.659 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.659 -3.946 0.751 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.846 -3.742 -4.419 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.819 -3.569 -5.429 1.00 0.00 C ATOM 1338 C HIS A 87 -1.699 -2.691 -4.879 1.00 0.00 C ATOM 1339 O HIS A 87 -1.912 -1.522 -4.564 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.408 -2.957 -6.707 1.00 0.00 C ATOM 1341 CG HIS A 87 -2.584 -3.218 -7.933 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -3.109 -3.231 -9.207 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -1.266 -3.498 -8.073 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -2.152 -3.512 -10.071 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -1.022 -3.679 -9.409 1.00 0.00 N ATOM 0 H HIS A 87 -4.374 -2.897 -4.199 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.410 -4.546 -5.685 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.411 -3.355 -6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.510 -1.880 -6.571 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -4.084 -3.052 -9.445 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.540 -3.566 -7.277 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.273 -3.592 -11.141 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.521 -3.277 -4.748 1.00 0.00 N ATOM 1355 CA ALA A 88 0.638 -2.563 -4.237 1.00 0.00 C ATOM 1356 C ALA A 88 1.409 -1.895 -5.365 1.00 0.00 C ATOM 1357 O ALA A 88 1.979 -2.562 -6.232 1.00 0.00 O ATOM 1358 CB ALA A 88 1.549 -3.503 -3.460 1.00 0.00 C ATOM 0 H ALA A 88 -0.341 -4.251 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 88 0.280 -1.786 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.410 -2.949 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.000 -3.930 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.890 -4.304 -4.116 1.00 0.00 H new ATOM 1364 N TRP A 89 1.395 -0.577 -5.353 1.00 0.00 N ATOM 1365 CA TRP A 89 2.142 0.216 -6.307 1.00 0.00 C ATOM 1366 C TRP A 89 3.349 0.836 -5.615 1.00 0.00 C ATOM 1367 O TRP A 89 3.315 1.113 -4.414 1.00 0.00 O ATOM 1368 CB TRP A 89 1.267 1.329 -6.891 1.00 0.00 C ATOM 1369 CG TRP A 89 0.046 0.854 -7.629 1.00 0.00 C ATOM 1370 CD1 TRP A 89 -1.136 0.434 -7.085 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.125 0.786 -9.050 1.00 0.00 C ATOM 1372 NE1 TRP A 89 -2.025 0.106 -8.080 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -1.430 0.314 -9.293 1.00 0.00 C ATOM 1374 CE3 TRP A 89 0.698 1.077 -10.142 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -1.929 0.130 -10.576 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 0.199 0.894 -11.416 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -1.104 0.425 -11.624 1.00 0.00 C ATOM 0 H TRP A 89 0.864 -0.025 -4.680 1.00 0.00 H new ATOM 0 HA TRP A 89 2.469 -0.434 -7.119 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.951 1.986 -6.080 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.873 1.929 -7.570 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.341 0.369 -6.027 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -2.975 -0.237 -7.937 1.00 0.00 H new ATOM 0 HE3 TRP A 89 1.705 1.438 -9.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.933 -0.233 -10.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 0.825 1.117 -12.268 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -1.464 0.294 -12.634 1.00 0.00 H new ATOM 1388 N HIS A 90 4.411 1.048 -6.362 1.00 0.00 N ATOM 1389 CA HIS A 90 5.594 1.707 -5.833 1.00 0.00 C ATOM 1390 C HIS A 90 5.607 3.144 -6.337 1.00 0.00 C ATOM 1391 O HIS A 90 5.324 3.387 -7.507 1.00 0.00 O ATOM 1392 CB HIS A 90 6.850 0.942 -6.277 1.00 0.00 C ATOM 1393 CG HIS A 90 8.152 1.472 -5.751 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.214 1.767 -6.570 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.589 1.689 -4.492 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.243 2.137 -5.846 1.00 0.00 C ATOM 1397 NE2 HIS A 90 9.900 2.098 -4.576 1.00 0.00 N ATOM 0 H HIS A 90 4.483 0.774 -7.342 1.00 0.00 H new ATOM 0 HA HIS A 90 5.580 1.715 -4.743 1.00 0.00 H new ATOM 0 HB2 HIS A 90 6.749 -0.098 -5.966 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.890 0.946 -7.366 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.204 1.707 -7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.015 1.564 -3.586 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.211 2.426 -6.228 1.00 0.00 H new ATOM 1406 N VAL A 91 5.880 4.094 -5.456 1.00 0.00 N ATOM 1407 CA VAL A 91 5.896 5.495 -5.856 1.00 0.00 C ATOM 1408 C VAL A 91 7.327 5.984 -6.092 1.00 0.00 C ATOM 1409 O VAL A 91 8.089 6.205 -5.151 1.00 0.00 O ATOM 1410 CB VAL A 91 5.167 6.407 -4.837 1.00 0.00 C ATOM 1411 CG1 VAL A 91 3.671 6.140 -4.868 1.00 0.00 C ATOM 1412 CG2 VAL A 91 5.703 6.215 -3.427 1.00 0.00 C ATOM 0 H VAL A 91 6.091 3.926 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 91 5.348 5.560 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 91 5.354 7.441 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.171 6.787 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.286 6.343 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.482 5.098 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.167 6.871 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.561 5.178 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.765 6.458 -3.405 1.00 0.00 H new ATOM 1422 N PRO A 92 7.716 6.110 -7.370 1.00 0.00 N ATOM 1423 CA PRO A 92 9.043 6.598 -7.762 1.00 0.00 C ATOM 1424 C PRO A 92 9.311 8.035 -7.308 1.00 0.00 C ATOM 1425 O PRO A 92 10.468 8.449 -7.190 1.00 0.00 O ATOM 1426 CB PRO A 92 9.028 6.510 -9.298 1.00 0.00 C ATOM 1427 CG PRO A 92 7.585 6.448 -9.672 1.00 0.00 C ATOM 1428 CD PRO A 92 6.905 5.742 -8.541 1.00 0.00 C ATOM 0 HA PRO A 92 9.834 6.010 -7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.514 7.376 -9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.564 5.627 -9.647 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.174 7.447 -9.814 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.446 5.910 -10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.870 6.065 -8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.887 4.663 -8.694 1.00 0.00 H new ATOM 1436 N ASP A 93 8.251 8.796 -7.051 1.00 0.00 N ATOM 1437 CA ASP A 93 8.404 10.186 -6.628 1.00 0.00 C ATOM 1438 C ASP A 93 7.149 10.685 -5.905 1.00 0.00 C ATOM 1439 O ASP A 93 6.125 9.995 -5.865 1.00 0.00 O ATOM 1440 CB ASP A 93 8.714 11.073 -7.843 1.00 0.00 C ATOM 1441 CG ASP A 93 9.210 12.456 -7.459 1.00 0.00 C ATOM 1442 OD1 ASP A 93 10.199 12.543 -6.700 1.00 0.00 O ATOM 1443 OD2 ASP A 93 8.622 13.456 -7.918 1.00 0.00 O ATOM 0 H ASP A 93 7.285 8.478 -7.127 1.00 0.00 H new ATOM 0 HA ASP A 93 9.236 10.242 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.466 10.582 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.815 11.172 -8.452 1.00 0.00 H new ATOM 1448 N PHE A 94 7.244 11.886 -5.344 1.00 0.00 N ATOM 1449 CA PHE A 94 6.134 12.520 -4.638 1.00 0.00 C ATOM 1450 C PHE A 94 6.262 14.037 -4.702 1.00 0.00 C ATOM 1451 O PHE A 94 7.319 14.565 -5.051 1.00 0.00 O ATOM 1452 CB PHE A 94 6.028 12.048 -3.177 1.00 0.00 C ATOM 1453 CG PHE A 94 7.337 11.954 -2.440 1.00 0.00 C ATOM 1454 CD1 PHE A 94 8.185 13.046 -2.329 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.712 10.761 -1.848 1.00 0.00 C ATOM 1456 CE1 PHE A 94 9.382 12.948 -1.647 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.908 10.657 -1.162 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.745 11.751 -1.063 1.00 0.00 C ATOM 0 H PHE A 94 8.094 12.449 -5.366 1.00 0.00 H new ATOM 0 HA PHE A 94 5.215 12.218 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.373 12.732 -2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.549 11.069 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.905 13.986 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.063 9.901 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 94 10.033 13.806 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 94 9.188 9.720 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 94 10.681 11.670 -0.530 1.00 0.00 H new ATOM 1468 N HIS A 95 5.191 14.733 -4.356 1.00 0.00 N ATOM 1469 CA HIS A 95 5.197 16.185 -4.331 1.00 0.00 C ATOM 1470 C HIS A 95 4.727 16.664 -2.963 1.00 0.00 C ATOM 1471 O HIS A 95 3.608 16.364 -2.544 1.00 0.00 O ATOM 1472 CB HIS A 95 4.286 16.725 -5.443 1.00 0.00 C ATOM 1473 CG HIS A 95 4.270 18.220 -5.580 1.00 0.00 C ATOM 1474 ND1 HIS A 95 4.911 18.889 -6.599 1.00 0.00 N ATOM 1475 CD2 HIS A 95 3.654 19.172 -4.840 1.00 0.00 C ATOM 1476 CE1 HIS A 95 4.691 20.184 -6.479 1.00 0.00 C ATOM 1477 NE2 HIS A 95 3.930 20.384 -5.420 1.00 0.00 N ATOM 0 H HIS A 95 4.302 14.312 -4.087 1.00 0.00 H new ATOM 0 HA HIS A 95 6.207 16.557 -4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.601 16.292 -6.392 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.268 16.381 -5.257 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.056 19.007 -3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 95 5.070 20.952 -7.137 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.601 21.290 -5.087 1.00 0.00 H new ATOM 1486 N GLY A 96 5.588 17.390 -2.270 1.00 0.00 N ATOM 1487 CA GLY A 96 5.254 17.879 -0.949 1.00 0.00 C ATOM 1488 C GLY A 96 6.092 17.214 0.124 1.00 0.00 C ATOM 1489 O GLY A 96 7.177 16.707 -0.157 1.00 0.00 O ATOM 0 H GLY A 96 6.517 17.651 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.405 18.958 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.198 17.698 -0.750 1.00 0.00 H new ATOM 1493 N THR A 97 5.598 17.215 1.351 1.00 0.00 N ATOM 1494 CA THR A 97 6.294 16.573 2.452 1.00 0.00 C ATOM 1495 C THR A 97 5.366 15.589 3.144 1.00 0.00 C ATOM 1496 O THR A 97 4.228 15.924 3.476 1.00 0.00 O ATOM 1497 CB THR A 97 6.828 17.612 3.459 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.695 18.527 2.777 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.594 16.941 4.592 1.00 0.00 C ATOM 0 H THR A 97 4.715 17.655 1.609 1.00 0.00 H new ATOM 0 HA THR A 97 7.151 16.034 2.049 1.00 0.00 H new ATOM 0 HB THR A 97 5.978 18.143 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.036 19.190 3.413 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.958 17.700 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.934 16.254 5.121 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.440 16.389 4.182 1.00 0.00 H new ATOM 1507 N LEU A 98 5.860 14.382 3.356 1.00 0.00 N ATOM 1508 CA LEU A 98 5.022 13.303 3.847 1.00 0.00 C ATOM 1509 C LEU A 98 4.739 13.451 5.331 1.00 0.00 C ATOM 1510 O LEU A 98 5.647 13.458 6.164 1.00 0.00 O ATOM 1511 CB LEU A 98 5.634 11.941 3.511 1.00 0.00 C ATOM 1512 CG LEU A 98 7.156 11.911 3.395 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.801 11.582 4.732 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.570 10.917 2.324 1.00 0.00 C ATOM 0 H LEU A 98 6.834 14.125 3.196 1.00 0.00 H new ATOM 0 HA LEU A 98 4.061 13.363 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.332 11.228 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.209 11.594 2.569 1.00 0.00 H new ATOM 0 HG LEU A 98 7.505 12.902 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.885 11.567 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.523 12.338 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.458 10.604 5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.657 10.899 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.209 9.924 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.141 11.214 1.367 1.00 0.00 H new ATOM 1526 N GLN A 99 3.464 13.600 5.635 1.00 0.00 N ATOM 1527 CA GLN A 99 3.003 13.772 6.994 1.00 0.00 C ATOM 1528 C GLN A 99 1.946 12.723 7.294 1.00 0.00 C ATOM 1529 O GLN A 99 1.449 12.066 6.385 1.00 0.00 O ATOM 1530 CB GLN A 99 2.444 15.188 7.178 1.00 0.00 C ATOM 1531 CG GLN A 99 1.193 15.469 6.361 1.00 0.00 C ATOM 1532 CD GLN A 99 0.778 16.928 6.407 1.00 0.00 C ATOM 1533 OE1 GLN A 99 1.752 17.819 6.509 1.00 0.00 O flip ATOM 1534 NE2 GLN A 99 -0.408 17.251 6.341 1.00 0.00 N flip ATOM 0 H GLN A 99 2.717 13.605 4.940 1.00 0.00 H new ATOM 0 HA GLN A 99 3.832 13.645 7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.220 15.345 8.233 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.214 15.910 6.905 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.368 15.178 5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.375 14.851 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.128 16.533 6.263 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.670 18.236 6.364 1.00 0.00 H new ATOM 1543 N ALA A 100 1.613 12.547 8.554 1.00 0.00 N ATOM 1544 CA ALA A 100 0.664 11.518 8.934 1.00 0.00 C ATOM 1545 C ALA A 100 -0.656 12.127 9.390 1.00 0.00 C ATOM 1546 O ALA A 100 -0.706 12.849 10.385 1.00 0.00 O ATOM 1547 CB ALA A 100 1.265 10.635 10.013 1.00 0.00 C ATOM 0 H ALA A 100 1.981 13.098 9.330 1.00 0.00 H new ATOM 0 HA ALA A 100 0.449 10.902 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.547 9.864 10.294 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.173 10.165 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.507 11.241 10.886 1.00 0.00 H new ATOM 1553 N HIS A 101 -1.724 11.849 8.650 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.040 12.389 8.957 1.00 0.00 C ATOM 1555 C HIS A 101 -3.814 11.437 9.867 1.00 0.00 C ATOM 1556 O HIS A 101 -3.823 11.599 11.085 1.00 0.00 O ATOM 1557 CB HIS A 101 -3.802 12.638 7.648 1.00 0.00 C ATOM 1558 CG HIS A 101 -5.195 13.180 7.800 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -6.303 12.547 7.283 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -5.651 14.315 8.376 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.379 13.271 7.529 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -7.013 14.352 8.193 1.00 0.00 N ATOM 0 H HIS A 101 -1.701 11.247 7.827 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.928 13.334 9.489 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.225 13.334 7.040 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.855 11.700 7.095 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -6.294 11.656 6.786 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.055 15.057 8.886 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.388 13.021 7.237 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.443 10.430 9.273 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.238 9.470 10.029 1.00 0.00 C ATOM 1573 C GLU A 102 -4.449 8.205 10.329 1.00 0.00 C ATOM 1574 O GLU A 102 -4.990 7.209 10.809 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.509 9.136 9.265 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.558 10.231 9.357 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.930 9.764 8.935 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -9.649 9.193 9.783 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -9.295 9.963 7.762 1.00 0.00 O ATOM 0 H GLU A 102 -4.418 10.257 8.268 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.502 9.925 10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.263 8.963 8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.926 8.206 9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.604 10.599 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.256 11.070 8.730 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.165 8.255 10.041 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.260 7.162 10.351 1.00 0.00 C ATOM 1588 C HIS A 103 -1.194 7.732 11.268 1.00 0.00 C ATOM 1589 O HIS A 103 -0.328 8.454 10.815 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.644 6.584 9.068 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.652 6.277 7.991 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -3.080 5.010 7.671 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -3.331 7.109 7.169 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.972 5.077 6.702 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -4.148 6.342 6.379 1.00 0.00 N ATOM 0 H HIS A 103 -2.718 9.051 9.587 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.785 6.340 10.837 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.913 7.292 8.677 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -1.103 5.671 9.316 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.757 4.150 8.115 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.245 8.185 7.140 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.474 4.235 6.249 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -4.784 6.692 5.663 1.00 0.00 H new ATOM 1604 N GLN A 104 -1.270 7.402 12.548 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.681 8.240 13.596 1.00 0.00 C ATOM 1606 C GLN A 104 0.825 8.471 13.454 1.00 0.00 C ATOM 1607 O GLN A 104 1.303 9.575 13.716 1.00 0.00 O ATOM 1608 CB GLN A 104 -0.993 7.663 14.977 1.00 0.00 C ATOM 1609 CG GLN A 104 -0.640 8.607 16.117 1.00 0.00 C ATOM 1610 CD GLN A 104 -1.398 9.921 16.041 1.00 0.00 C ATOM 1611 OE1 GLN A 104 -2.489 10.059 16.598 1.00 0.00 O ATOM 1612 NE2 GLN A 104 -0.833 10.895 15.341 1.00 0.00 N ATOM 0 H GLN A 104 -1.733 6.561 12.892 1.00 0.00 H new ATOM 0 HA GLN A 104 -1.145 9.219 13.479 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.054 7.421 15.031 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -0.446 6.729 15.105 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.858 8.120 17.068 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.431 8.808 16.099 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.071 10.743 14.894 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.303 11.796 15.250 1.00 0.00 H new ATOM 1621 N ALA A 105 1.569 7.461 13.045 1.00 0.00 N ATOM 1622 CA ALA A 105 3.017 7.589 12.988 1.00 0.00 C ATOM 1623 C ALA A 105 3.549 7.052 11.675 1.00 0.00 C ATOM 1624 O ALA A 105 2.898 6.231 11.034 1.00 0.00 O ATOM 1625 CB ALA A 105 3.661 6.866 14.161 1.00 0.00 C ATOM 0 H ALA A 105 1.204 6.555 12.751 1.00 0.00 H new ATOM 0 HA ALA A 105 3.272 8.647 13.053 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.744 6.972 14.103 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.304 7.298 15.096 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.397 5.809 14.126 1.00 0.00 H new ATOM 1631 N LEU A 106 4.727 7.515 11.280 1.00 0.00 N ATOM 1632 CA LEU A 106 5.359 7.067 10.048 1.00 0.00 C ATOM 1633 C LEU A 106 6.824 6.757 10.307 1.00 0.00 C ATOM 1634 O LEU A 106 7.548 7.577 10.871 1.00 0.00 O ATOM 1635 CB LEU A 106 5.241 8.136 8.958 1.00 0.00 C ATOM 1636 CG LEU A 106 3.848 8.292 8.352 1.00 0.00 C ATOM 1637 CD1 LEU A 106 3.761 9.548 7.505 1.00 0.00 C ATOM 1638 CD2 LEU A 106 3.479 7.072 7.532 1.00 0.00 C ATOM 0 H LEU A 106 5.267 8.206 11.800 1.00 0.00 H new ATOM 0 HA LEU A 106 4.850 6.166 9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.548 9.095 9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.943 7.897 8.159 1.00 0.00 H new ATOM 0 HG LEU A 106 3.135 8.385 9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.759 9.635 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.972 10.420 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.490 9.493 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.483 7.205 7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.201 6.944 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.488 6.188 8.170 1.00 0.00 H new ATOM 1650 N VAL A 107 7.255 5.577 9.907 1.00 0.00 N ATOM 1651 CA VAL A 107 8.637 5.173 10.095 1.00 0.00 C ATOM 1652 C VAL A 107 9.242 4.776 8.756 1.00 0.00 C ATOM 1653 O VAL A 107 8.563 4.185 7.914 1.00 0.00 O ATOM 1654 CB VAL A 107 8.763 4.004 11.107 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.015 2.771 10.624 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.223 3.671 11.378 1.00 0.00 C ATOM 0 H VAL A 107 6.668 4.879 9.449 1.00 0.00 H new ATOM 0 HA VAL A 107 9.183 6.022 10.507 1.00 0.00 H new ATOM 0 HB VAL A 107 8.307 4.330 12.042 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.123 1.970 11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.959 3.011 10.502 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.426 2.447 9.668 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.282 2.848 12.091 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.709 3.380 10.447 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.725 4.546 11.791 1.00 0.00 H new ATOM 1666 N TRP A 108 10.500 5.135 8.544 1.00 0.00 N ATOM 1667 CA TRP A 108 11.193 4.785 7.319 1.00 0.00 C ATOM 1668 C TRP A 108 12.066 3.562 7.554 1.00 0.00 C ATOM 1669 O TRP A 108 13.070 3.623 8.272 1.00 0.00 O ATOM 1670 CB TRP A 108 12.055 5.955 6.837 1.00 0.00 C ATOM 1671 CG TRP A 108 11.281 7.212 6.581 1.00 0.00 C ATOM 1672 CD1 TRP A 108 10.780 7.638 5.386 1.00 0.00 C ATOM 1673 CD2 TRP A 108 10.923 8.210 7.546 1.00 0.00 C ATOM 1674 NE1 TRP A 108 10.134 8.840 5.547 1.00 0.00 N ATOM 1675 CE2 TRP A 108 10.205 9.208 6.865 1.00 0.00 C ATOM 1676 CE3 TRP A 108 11.137 8.353 8.921 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 9.701 10.334 7.510 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 10.637 9.471 9.560 1.00 0.00 C ATOM 1679 CH2 TRP A 108 9.925 10.448 8.855 1.00 0.00 C ATOM 0 H TRP A 108 11.060 5.670 9.208 1.00 0.00 H new ATOM 0 HA TRP A 108 10.453 4.559 6.551 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.824 6.158 7.582 1.00 0.00 H new ATOM 0 HB3 TRP A 108 12.568 5.663 5.921 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.877 7.108 4.450 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.676 9.372 4.806 1.00 0.00 H new ATOM 0 HE3 TRP A 108 11.683 7.603 9.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 9.153 11.091 6.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.798 9.593 10.621 1.00 0.00 H new ATOM 0 HH2 TRP A 108 9.545 11.310 9.383 1.00 0.00 H new ATOM 1690 N CYS A 109 11.675 2.453 6.967 1.00 0.00 N ATOM 1691 CA CYS A 109 12.416 1.213 7.106 1.00 0.00 C ATOM 1692 C CYS A 109 12.590 0.559 5.747 1.00 0.00 C ATOM 1693 O CYS A 109 11.721 0.676 4.894 1.00 0.00 O ATOM 1694 CB CYS A 109 11.692 0.270 8.071 1.00 0.00 C ATOM 1695 SG CYS A 109 9.934 0.057 7.708 1.00 0.00 S ATOM 0 H CYS A 109 10.841 2.382 6.384 1.00 0.00 H new ATOM 0 HA CYS A 109 13.402 1.431 7.515 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.179 -0.705 8.044 1.00 0.00 H new ATOM 0 HB3 CYS A 109 11.799 0.652 9.086 1.00 0.00 H new ATOM 0 HG CYS A 109 9.735 0.192 6.430 1.00 0.00 H new ATOM 1701 N SER A 110 13.693 -0.141 5.551 1.00 0.00 N ATOM 1702 CA SER A 110 13.970 -0.758 4.266 1.00 0.00 C ATOM 1703 C SER A 110 13.073 -1.987 4.097 1.00 0.00 C ATOM 1704 O SER A 110 12.503 -2.461 5.078 1.00 0.00 O ATOM 1705 CB SER A 110 15.453 -1.132 4.186 1.00 0.00 C ATOM 1706 OG SER A 110 15.863 -1.810 5.358 1.00 0.00 O ATOM 0 H SER A 110 14.408 -0.296 6.261 1.00 0.00 H new ATOM 0 HA SER A 110 13.755 -0.061 3.456 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.627 -1.764 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.053 -0.232 4.052 1.00 0.00 H new ATOM 0 HG SER A 110 16.813 -2.042 5.287 1.00 0.00 H new ATOM 1712 N PRO A 111 12.914 -2.507 2.863 1.00 0.00 N ATOM 1713 CA PRO A 111 12.042 -3.656 2.586 1.00 0.00 C ATOM 1714 C PRO A 111 12.242 -4.802 3.577 1.00 0.00 C ATOM 1715 O PRO A 111 11.278 -5.383 4.072 1.00 0.00 O ATOM 1716 CB PRO A 111 12.441 -4.094 1.166 1.00 0.00 C ATOM 1717 CG PRO A 111 13.623 -3.255 0.791 1.00 0.00 C ATOM 1718 CD PRO A 111 13.551 -2.018 1.638 1.00 0.00 C ATOM 0 HA PRO A 111 10.990 -3.386 2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.692 -5.154 1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.619 -3.944 0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.554 -3.794 0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 111 13.599 -3.002 -0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.539 -1.602 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 111 12.964 -1.233 1.161 1.00 0.00 H new ATOM 1726 N GLU A 112 13.496 -5.099 3.884 1.00 0.00 N ATOM 1727 CA GLU A 112 13.826 -6.182 4.798 1.00 0.00 C ATOM 1728 C GLU A 112 13.382 -5.855 6.226 1.00 0.00 C ATOM 1729 O GLU A 112 12.860 -6.717 6.931 1.00 0.00 O ATOM 1730 CB GLU A 112 15.328 -6.473 4.743 1.00 0.00 C ATOM 1731 CG GLU A 112 16.198 -5.238 4.919 1.00 0.00 C ATOM 1732 CD GLU A 112 17.663 -5.517 4.671 1.00 0.00 C ATOM 1733 OE1 GLU A 112 18.340 -6.028 5.588 1.00 0.00 O ATOM 1734 OE2 GLU A 112 18.146 -5.215 3.559 1.00 0.00 O ATOM 0 H GLU A 112 14.305 -4.602 3.511 1.00 0.00 H new ATOM 0 HA GLU A 112 13.286 -7.076 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.578 -7.196 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.564 -6.939 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.860 -4.460 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.072 -4.851 5.930 1.00 0.00 H new ATOM 1741 N GLU A 113 13.576 -4.604 6.640 1.00 0.00 N ATOM 1742 CA GLU A 113 13.186 -4.167 7.977 1.00 0.00 C ATOM 1743 C GLU A 113 11.668 -4.095 8.104 1.00 0.00 C ATOM 1744 O GLU A 113 11.109 -4.440 9.142 1.00 0.00 O ATOM 1745 CB GLU A 113 13.789 -2.796 8.293 1.00 0.00 C ATOM 1746 CG GLU A 113 15.304 -2.744 8.185 1.00 0.00 C ATOM 1747 CD GLU A 113 16.001 -3.642 9.182 1.00 0.00 C ATOM 1748 OE1 GLU A 113 16.025 -3.299 10.381 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.554 -4.682 8.769 1.00 0.00 O ATOM 0 H GLU A 113 14.002 -3.875 6.067 1.00 0.00 H new ATOM 0 HA GLU A 113 13.566 -4.899 8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.362 -2.058 7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.497 -2.507 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.600 -3.032 7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.638 -1.717 8.334 1.00 0.00 H new ATOM 1756 N ALA A 114 11.013 -3.652 7.034 1.00 0.00 N ATOM 1757 CA ALA A 114 9.564 -3.457 7.024 1.00 0.00 C ATOM 1758 C ALA A 114 8.817 -4.741 7.345 1.00 0.00 C ATOM 1759 O ALA A 114 7.850 -4.729 8.105 1.00 0.00 O ATOM 1760 CB ALA A 114 9.117 -2.924 5.672 1.00 0.00 C ATOM 0 H ALA A 114 11.469 -3.419 6.152 1.00 0.00 H new ATOM 0 HA ALA A 114 9.326 -2.730 7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 114 8.036 -2.783 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.607 -1.970 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.387 -3.637 4.893 1.00 0.00 H new ATOM 1766 N LEU A 115 9.275 -5.848 6.782 1.00 0.00 N ATOM 1767 CA LEU A 115 8.594 -7.123 6.949 1.00 0.00 C ATOM 1768 C LEU A 115 8.777 -7.647 8.370 1.00 0.00 C ATOM 1769 O LEU A 115 8.046 -8.534 8.812 1.00 0.00 O ATOM 1770 CB LEU A 115 9.114 -8.129 5.912 1.00 0.00 C ATOM 1771 CG LEU A 115 8.049 -9.013 5.234 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.687 -10.207 6.097 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.797 -8.206 4.917 1.00 0.00 C ATOM 0 H LEU A 115 10.115 -5.890 6.205 1.00 0.00 H new ATOM 0 HA LEU A 115 7.526 -6.982 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.647 -7.579 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.841 -8.779 6.399 1.00 0.00 H new ATOM 0 HG LEU A 115 8.479 -9.381 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.934 -10.809 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.577 -10.812 6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.290 -9.860 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.060 -8.851 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.381 -7.802 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.053 -7.387 4.245 1.00 0.00 H new ATOM 1785 N GLN A 116 9.743 -7.086 9.091 1.00 0.00 N ATOM 1786 CA GLN A 116 9.976 -7.457 10.481 1.00 0.00 C ATOM 1787 C GLN A 116 9.031 -6.699 11.407 1.00 0.00 C ATOM 1788 O GLN A 116 8.915 -7.015 12.593 1.00 0.00 O ATOM 1789 CB GLN A 116 11.420 -7.165 10.872 1.00 0.00 C ATOM 1790 CG GLN A 116 12.439 -7.817 9.954 1.00 0.00 C ATOM 1791 CD GLN A 116 12.205 -9.303 9.756 1.00 0.00 C ATOM 1792 OE1 GLN A 116 11.722 -9.998 10.652 1.00 0.00 O ATOM 1793 NE2 GLN A 116 12.536 -9.795 8.574 1.00 0.00 N ATOM 0 H GLN A 116 10.378 -6.372 8.734 1.00 0.00 H new ATOM 0 HA GLN A 116 9.786 -8.525 10.583 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.578 -6.087 10.870 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.589 -7.510 11.892 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.414 -7.320 8.984 1.00 0.00 H new ATOM 0 HG3 GLN A 116 13.437 -7.665 10.365 1.00 0.00 H new ATOM 0 HE21 GLN A 116 12.933 -9.184 7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 116 12.394 -10.785 8.376 1.00 0.00 H new ATOM 1802 N TYR A 117 8.353 -5.700 10.860 1.00 0.00 N ATOM 1803 CA TYR A 117 7.420 -4.899 11.634 1.00 0.00 C ATOM 1804 C TYR A 117 6.045 -5.556 11.636 1.00 0.00 C ATOM 1805 O TYR A 117 5.783 -6.454 10.831 1.00 0.00 O ATOM 1806 CB TYR A 117 7.330 -3.474 11.072 1.00 0.00 C ATOM 1807 CG TYR A 117 8.384 -2.535 11.613 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.628 -2.433 11.012 1.00 0.00 C ATOM 1809 CD2 TYR A 117 8.131 -1.753 12.731 1.00 0.00 C ATOM 1810 CE1 TYR A 117 10.593 -1.576 11.507 1.00 0.00 C ATOM 1811 CE2 TYR A 117 9.086 -0.893 13.232 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.315 -0.809 12.618 1.00 0.00 C ATOM 1813 OH TYR A 117 11.272 0.043 13.124 1.00 0.00 O ATOM 0 H TYR A 117 8.433 -5.426 9.881 1.00 0.00 H new ATOM 0 HA TYR A 117 7.784 -4.838 12.660 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.417 -3.516 9.986 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.344 -3.067 11.297 1.00 0.00 H new ATOM 0 HD1 TYR A 117 9.848 -3.033 10.142 1.00 0.00 H new ATOM 0 HD2 TYR A 117 7.169 -1.819 13.218 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.558 -1.508 11.027 1.00 0.00 H new ATOM 0 HE2 TYR A 117 8.871 -0.289 14.101 1.00 0.00 H new ATOM 0 HH TYR A 117 10.913 0.510 13.907 1.00 0.00 H new ATOM 1823 N PRO A 118 5.152 -5.142 12.551 1.00 0.00 N ATOM 1824 CA PRO A 118 3.794 -5.681 12.619 1.00 0.00 C ATOM 1825 C PRO A 118 2.916 -5.189 11.469 1.00 0.00 C ATOM 1826 O PRO A 118 2.052 -4.330 11.653 1.00 0.00 O ATOM 1827 CB PRO A 118 3.271 -5.164 13.961 1.00 0.00 C ATOM 1828 CG PRO A 118 4.037 -3.914 14.210 1.00 0.00 C ATOM 1829 CD PRO A 118 5.396 -4.127 13.594 1.00 0.00 C ATOM 0 HA PRO A 118 3.781 -6.768 12.537 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.199 -4.970 13.920 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.433 -5.892 14.756 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.537 -3.055 13.763 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.120 -3.714 15.278 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.793 -3.204 13.170 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.119 -4.476 14.331 1.00 0.00 H new ATOM 1837 N LEU A 119 3.174 -5.718 10.282 1.00 0.00 N ATOM 1838 CA LEU A 119 2.380 -5.405 9.102 1.00 0.00 C ATOM 1839 C LEU A 119 1.106 -6.242 9.085 1.00 0.00 C ATOM 1840 O LEU A 119 1.068 -7.331 9.662 1.00 0.00 O ATOM 1841 CB LEU A 119 3.187 -5.676 7.826 1.00 0.00 C ATOM 1842 CG LEU A 119 4.353 -4.722 7.561 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.080 -5.116 6.286 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.848 -3.295 7.458 1.00 0.00 C ATOM 0 H LEU A 119 3.936 -6.374 10.109 1.00 0.00 H new ATOM 0 HA LEU A 119 2.115 -4.348 9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.578 -6.692 7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.508 -5.636 6.974 1.00 0.00 H new ATOM 0 HG LEU A 119 5.053 -4.787 8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.907 -4.428 6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.467 -6.130 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.388 -5.073 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.687 -2.625 7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.133 -3.220 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.361 -3.013 8.392 1.00 0.00 H new ATOM 1856 N ALA A 120 0.062 -5.729 8.449 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.167 -6.492 8.278 1.00 0.00 C ATOM 1858 C ALA A 120 -0.917 -7.702 7.374 1.00 0.00 C ATOM 1859 O ALA A 120 -0.050 -7.659 6.501 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.265 -5.603 7.707 1.00 0.00 C ATOM 0 H ALA A 120 0.041 -4.793 8.045 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.496 -6.856 9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.178 -6.186 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.453 -4.774 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.951 -5.213 6.739 1.00 0.00 H new ATOM 1866 N PRO A 121 -1.667 -8.804 7.569 1.00 0.00 N ATOM 1867 CA PRO A 121 -1.496 -10.035 6.779 1.00 0.00 C ATOM 1868 C PRO A 121 -1.735 -9.831 5.280 1.00 0.00 C ATOM 1869 O PRO A 121 -1.410 -10.698 4.470 1.00 0.00 O ATOM 1870 CB PRO A 121 -2.541 -10.995 7.361 1.00 0.00 C ATOM 1871 CG PRO A 121 -3.505 -10.129 8.098 1.00 0.00 C ATOM 1872 CD PRO A 121 -2.717 -8.951 8.589 1.00 0.00 C ATOM 0 HA PRO A 121 -0.472 -10.403 6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.041 -11.557 6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -2.078 -11.723 8.027 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.318 -9.809 7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -3.957 -10.669 8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.334 -8.056 8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.296 -9.132 9.578 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.305 -8.690 4.911 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.517 -8.366 3.507 1.00 0.00 C ATOM 1882 C ALA A 122 -1.282 -7.683 2.929 1.00 0.00 C ATOM 1883 O ALA A 122 -1.021 -7.760 1.729 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.737 -7.472 3.343 1.00 0.00 C ATOM 0 H ALA A 122 -2.628 -7.976 5.564 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.692 -9.294 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.879 -7.241 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.619 -7.987 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.588 -6.547 3.900 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.522 -7.046 3.810 1.00 0.00 N ATOM 1891 CA ASP A 123 0.636 -6.243 3.422 1.00 0.00 C ATOM 1892 C ASP A 123 1.875 -7.108 3.278 1.00 0.00 C ATOM 1893 O ASP A 123 2.808 -6.766 2.548 1.00 0.00 O ATOM 1894 CB ASP A 123 0.906 -5.158 4.471 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.221 -4.150 4.592 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.359 -4.567 4.900 1.00 0.00 O ATOM 1897 OD2 ASP A 123 0.036 -2.943 4.403 1.00 0.00 O ATOM 0 H ASP A 123 -0.689 -7.070 4.816 1.00 0.00 H new ATOM 0 HA ASP A 123 0.411 -5.780 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.068 -5.631 5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.827 -4.635 4.214 1.00 0.00 H new ATOM 1902 N ILE A 124 1.870 -8.243 3.963 1.00 0.00 N ATOM 1903 CA ILE A 124 3.022 -9.133 3.986 1.00 0.00 C ATOM 1904 C ILE A 124 3.362 -9.635 2.574 1.00 0.00 C ATOM 1905 O ILE A 124 4.471 -9.398 2.094 1.00 0.00 O ATOM 1906 CB ILE A 124 2.799 -10.328 4.943 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.539 -9.834 6.373 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.995 -11.270 4.919 1.00 0.00 C ATOM 1909 CD1 ILE A 124 3.705 -9.090 6.989 1.00 0.00 C ATOM 0 H ILE A 124 1.076 -8.570 4.513 1.00 0.00 H new ATOM 0 HA ILE A 124 3.867 -8.556 4.360 1.00 0.00 H new ATOM 0 HB ILE A 124 1.922 -10.877 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.666 -9.181 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.293 -10.689 7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.816 -12.103 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 124 4.137 -11.652 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.889 -10.731 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.442 -8.774 7.999 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.575 -9.746 7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.938 -8.214 6.384 1.00 0.00 H new ATOM 1921 N PRO A 125 2.415 -10.307 1.873 1.00 0.00 N ATOM 1922 CA PRO A 125 2.651 -10.815 0.512 1.00 0.00 C ATOM 1923 C PRO A 125 3.051 -9.713 -0.465 1.00 0.00 C ATOM 1924 O PRO A 125 3.741 -9.963 -1.453 1.00 0.00 O ATOM 1925 CB PRO A 125 1.303 -11.429 0.098 1.00 0.00 C ATOM 1926 CG PRO A 125 0.308 -10.903 1.075 1.00 0.00 C ATOM 1927 CD PRO A 125 1.060 -10.644 2.344 1.00 0.00 C ATOM 0 HA PRO A 125 3.476 -11.527 0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 125 1.040 -11.146 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.343 -12.518 0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.155 -9.989 0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.494 -11.623 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.618 -9.827 2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.066 -11.519 2.994 1.00 0.00 H new ATOM 1935 N LEU A 126 2.631 -8.489 -0.173 1.00 0.00 N ATOM 1936 CA LEU A 126 2.932 -7.356 -1.031 1.00 0.00 C ATOM 1937 C LEU A 126 4.395 -6.956 -0.886 1.00 0.00 C ATOM 1938 O LEU A 126 5.060 -6.628 -1.868 1.00 0.00 O ATOM 1939 CB LEU A 126 2.027 -6.170 -0.685 1.00 0.00 C ATOM 1940 CG LEU A 126 0.523 -6.441 -0.787 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.271 -5.218 -0.353 1.00 0.00 C ATOM 1942 CD2 LEU A 126 0.144 -6.850 -2.203 1.00 0.00 C ATOM 0 H LEU A 126 2.080 -8.258 0.654 1.00 0.00 H new ATOM 0 HA LEU A 126 2.748 -7.648 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.253 -5.847 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.275 -5.340 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 126 0.279 -7.265 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.337 -5.430 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.026 -4.973 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.020 -4.374 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.929 -7.038 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.405 -6.049 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.684 -7.756 -2.477 1.00 0.00 H new ATOM 1954 N LEU A 127 4.901 -7.003 0.340 1.00 0.00 N ATOM 1955 CA LEU A 127 6.279 -6.625 0.601 1.00 0.00 C ATOM 1956 C LEU A 127 7.215 -7.743 0.160 1.00 0.00 C ATOM 1957 O LEU A 127 8.288 -7.473 -0.386 1.00 0.00 O ATOM 1958 CB LEU A 127 6.473 -6.290 2.089 1.00 0.00 C ATOM 1959 CG LEU A 127 7.811 -5.628 2.474 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.956 -6.629 2.472 1.00 0.00 C ATOM 1961 CD2 LEU A 127 8.117 -4.473 1.537 1.00 0.00 C ATOM 0 H LEU A 127 4.378 -7.298 1.165 1.00 0.00 H new ATOM 0 HA LEU A 127 6.519 -5.730 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.663 -5.629 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.370 -7.211 2.663 1.00 0.00 H new ATOM 0 HG LEU A 127 7.710 -5.246 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.881 -6.124 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.747 -7.422 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 127 9.061 -7.060 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.065 -4.015 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.185 -4.843 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.321 -3.731 1.603 1.00 0.00 H new ATOM 1973 N GLU A 128 6.801 -8.992 0.379 1.00 0.00 N ATOM 1974 CA GLU A 128 7.584 -10.145 -0.060 1.00 0.00 C ATOM 1975 C GLU A 128 7.957 -10.022 -1.529 1.00 0.00 C ATOM 1976 O GLU A 128 9.090 -10.297 -1.916 1.00 0.00 O ATOM 1977 CB GLU A 128 6.813 -11.446 0.144 1.00 0.00 C ATOM 1978 CG GLU A 128 6.429 -11.721 1.584 1.00 0.00 C ATOM 1979 CD GLU A 128 5.922 -13.132 1.774 1.00 0.00 C ATOM 1980 OE1 GLU A 128 4.722 -13.377 1.528 1.00 0.00 O ATOM 1981 OE2 GLU A 128 6.725 -14.009 2.154 1.00 0.00 O ATOM 0 H GLU A 128 5.931 -9.229 0.856 1.00 0.00 H new ATOM 0 HA GLU A 128 8.490 -10.165 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.908 -11.418 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.418 -12.275 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 128 7.293 -11.556 2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.660 -11.014 1.896 1.00 0.00 H new ATOM 1988 N ALA A 129 7.005 -9.587 -2.343 1.00 0.00 N ATOM 1989 CA ALA A 129 7.244 -9.452 -3.769 1.00 0.00 C ATOM 1990 C ALA A 129 7.938 -8.142 -4.097 1.00 0.00 C ATOM 1991 O ALA A 129 8.549 -8.009 -5.154 1.00 0.00 O ATOM 1992 CB ALA A 129 5.957 -9.567 -4.552 1.00 0.00 C ATOM 0 H ALA A 129 6.067 -9.324 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 129 7.903 -10.270 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.168 -9.462 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.504 -10.541 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.269 -8.781 -4.239 1.00 0.00 H new ATOM 1998 N PHE A 130 7.862 -7.176 -3.190 1.00 0.00 N ATOM 1999 CA PHE A 130 8.543 -5.908 -3.387 1.00 0.00 C ATOM 2000 C PHE A 130 10.035 -6.123 -3.267 1.00 0.00 C ATOM 2001 O PHE A 130 10.817 -5.693 -4.115 1.00 0.00 O ATOM 2002 CB PHE A 130 8.085 -4.875 -2.353 1.00 0.00 C ATOM 2003 CG PHE A 130 8.822 -3.570 -2.450 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.520 -2.664 -3.451 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.822 -3.254 -1.544 1.00 0.00 C ATOM 2006 CE1 PHE A 130 9.201 -1.470 -3.551 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.506 -2.059 -1.637 1.00 0.00 C ATOM 2008 CZ PHE A 130 10.195 -1.166 -2.642 1.00 0.00 C ATOM 0 H PHE A 130 7.339 -7.248 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 130 8.299 -5.528 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 130 7.018 -4.692 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.220 -5.287 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.741 -2.895 -4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 130 10.069 -3.951 -0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.958 -0.773 -4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.283 -1.823 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.729 -0.230 -2.718 1.00 0.00 H new ATOM 2018 N MET A 131 10.420 -6.809 -2.206 1.00 0.00 N ATOM 2019 CA MET A 131 11.810 -7.137 -1.988 1.00 0.00 C ATOM 2020 C MET A 131 12.258 -8.161 -3.025 1.00 0.00 C ATOM 2021 O MET A 131 13.405 -8.134 -3.469 1.00 0.00 O ATOM 2022 CB MET A 131 12.033 -7.646 -0.557 1.00 0.00 C ATOM 2023 CG MET A 131 11.350 -8.969 -0.245 1.00 0.00 C ATOM 2024 SD MET A 131 11.578 -9.479 1.468 1.00 0.00 S ATOM 2025 CE MET A 131 13.366 -9.555 1.561 1.00 0.00 C ATOM 0 H MET A 131 9.786 -7.149 -1.483 1.00 0.00 H new ATOM 0 HA MET A 131 12.416 -6.238 -2.105 1.00 0.00 H new ATOM 0 HB2 MET A 131 13.104 -7.755 -0.386 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.674 -6.892 0.144 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.284 -8.882 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.743 -9.742 -0.906 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.661 -10.349 2.247 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.773 -9.761 0.571 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.752 -8.601 1.921 1.00 0.00 H new ATOM 2035 N ALA A 132 11.339 -9.043 -3.434 1.00 0.00 N ATOM 2036 CA ALA A 132 11.603 -10.003 -4.497 1.00 0.00 C ATOM 2037 C ALA A 132 11.922 -9.298 -5.806 1.00 0.00 C ATOM 2038 O ALA A 132 12.875 -9.652 -6.496 1.00 0.00 O ATOM 2039 CB ALA A 132 10.399 -10.924 -4.684 1.00 0.00 C ATOM 0 H ALA A 132 10.401 -9.107 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 132 12.470 -10.596 -4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.607 -11.638 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 132 10.205 -11.462 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.524 -10.330 -4.948 1.00 0.00 H new ATOM 2045 N LEU A 133 11.138 -8.278 -6.132 1.00 0.00 N ATOM 2046 CA LEU A 133 11.296 -7.566 -7.391 1.00 0.00 C ATOM 2047 C LEU A 133 12.622 -6.824 -7.434 1.00 0.00 C ATOM 2048 O LEU A 133 13.243 -6.708 -8.486 1.00 0.00 O ATOM 2049 CB LEU A 133 10.149 -6.579 -7.599 1.00 0.00 C ATOM 2050 CG LEU A 133 9.208 -6.910 -8.758 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.553 -8.265 -8.554 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.156 -5.824 -8.903 1.00 0.00 C ATOM 0 H LEU A 133 10.386 -7.926 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 133 11.281 -8.304 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.564 -6.527 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.570 -5.587 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 133 9.794 -6.955 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.888 -8.478 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.322 -9.036 -8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 133 7.978 -8.256 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.491 -6.070 -9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.577 -5.753 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.643 -4.869 -9.100 1.00 0.00 H new ATOM 2064 N ARG A 134 13.060 -6.336 -6.286 1.00 0.00 N ATOM 2065 CA ARG A 134 14.297 -5.573 -6.220 1.00 0.00 C ATOM 2066 C ARG A 134 15.515 -6.489 -6.133 1.00 0.00 C ATOM 2067 O ARG A 134 16.621 -6.097 -6.498 1.00 0.00 O ATOM 2068 CB ARG A 134 14.281 -4.623 -5.029 1.00 0.00 C ATOM 2069 CG ARG A 134 13.175 -3.582 -5.090 1.00 0.00 C ATOM 2070 CD ARG A 134 13.393 -2.497 -4.053 1.00 0.00 C ATOM 2071 NE ARG A 134 14.642 -1.779 -4.292 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.464 -1.372 -3.325 1.00 0.00 C ATOM 2073 NH1 ARG A 134 15.123 -1.529 -2.050 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.616 -0.792 -3.634 1.00 0.00 N ATOM 0 H ARG A 134 12.582 -6.453 -5.392 1.00 0.00 H new ATOM 0 HA ARG A 134 14.370 -4.992 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.170 -5.204 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.243 -4.114 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 134 13.143 -3.138 -6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.210 -4.061 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 134 12.558 -1.797 -4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.411 -2.940 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 134 14.901 -1.577 -5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 134 14.231 -1.962 -1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 134 15.753 -1.217 -1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 134 16.873 -0.657 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 134 17.245 -0.481 -2.894 1.00 0.00 H new ATOM 2088 N ALA A 135 15.310 -7.707 -5.653 1.00 0.00 N ATOM 2089 CA ALA A 135 16.407 -8.654 -5.500 1.00 0.00 C ATOM 2090 C ALA A 135 16.580 -9.499 -6.756 1.00 0.00 C ATOM 2091 O ALA A 135 17.698 -9.842 -7.137 1.00 0.00 O ATOM 2092 CB ALA A 135 16.174 -9.549 -4.293 1.00 0.00 C ATOM 0 H ALA A 135 14.399 -8.063 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 135 17.323 -8.084 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 135 17.003 -10.250 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 135 16.107 -8.937 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 135 15.244 -10.103 -4.425 1.00 0.00 H new ATOM 2098 N ALA A 136 15.466 -9.828 -7.393 1.00 0.00 N ATOM 2099 CA ALA A 136 15.484 -10.674 -8.582 1.00 0.00 C ATOM 2100 C ALA A 136 15.519 -9.839 -9.854 1.00 0.00 C ATOM 2101 O ALA A 136 15.972 -10.318 -10.888 1.00 0.00 O ATOM 2102 CB ALA A 136 14.277 -11.600 -8.589 1.00 0.00 C ATOM 0 H ALA A 136 14.536 -9.523 -7.108 1.00 0.00 H new ATOM 0 HA ALA A 136 16.392 -11.277 -8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.303 -12.225 -9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 136 14.299 -12.233 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.363 -11.006 -8.589 1.00 0.00 H new