USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=17 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 50 GLN : amide:sc= -0.0121 K(o=-1.9,f=-3.9) USER MOD Set 1.2: A 71 TYR OH : rot 165:sc= -2.41! USER MOD Set 1.3: A 74 SER OG : rot 180:sc= 0 USER MOD Set 1.4: A 87 HIS : no HE2:sc= 0.514 K(o=-1.9,f=-4.9!) USER MOD Set 2.1: A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 161:sc= -0.144 (180deg=-0.657) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 0.708 (180deg=0.513) USER MOD Single : A 49 SER OG : rot 180:sc=-0.00824 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0.046) USER MOD Single : A 67 THR OG1 : rot 131:sc= 0.695 USER MOD Single : A 75 HIS : no HD1:sc= -0.828 K(o=-0.83,f=-2.2!) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.9!) USER MOD Single : A 90 HIS : +bothHN:sc= -2.98! C(o=-3!,f=-13!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0977 K(o=-0.098,f=-0.72) USER MOD Single : A 101 HIS : no HE2:sc= 0.478 K(o=0.48,f=-6.9!) USER MOD Single : A 103 HIS : +bothHN:sc= 2.03 K(o=2,f=-9.2!) USER MOD Single : A 109 CYS SG : rot 24:sc= -1.86 USER MOD Single : A 110 SER OG : rot 180:sc=0.000913 USER MOD Single : A 116 GLN : amide:sc= -0.72 X(o=-0.72,f=-0.53) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -162:sc= -0.294 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -18.930 -8.998 -3.960 1.00 0.00 N ATOM 79 CA LYS A 7 -18.500 -7.652 -4.290 1.00 0.00 C ATOM 80 C LYS A 7 -17.009 -7.529 -4.054 1.00 0.00 C ATOM 81 O LYS A 7 -16.498 -7.981 -3.027 1.00 0.00 O ATOM 82 CB LYS A 7 -19.265 -6.602 -3.475 1.00 0.00 C ATOM 83 CG LYS A 7 -20.553 -6.129 -4.136 1.00 0.00 C ATOM 84 CD LYS A 7 -21.529 -7.270 -4.370 1.00 0.00 C ATOM 85 CE LYS A 7 -22.757 -6.803 -5.132 1.00 0.00 C ATOM 86 NZ LYS A 7 -23.698 -7.922 -5.400 1.00 0.00 N ATOM 0 HA LYS A 7 -18.718 -7.466 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.502 -7.018 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.616 -5.742 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.025 -5.372 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.318 -5.653 -5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.034 -8.065 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -21.833 -7.693 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -23.267 -6.028 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -22.450 -6.352 -6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -24.523 -7.564 -5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -23.219 -8.650 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -24.011 -8.336 -4.499 1.00 0.00 H new ATOM 100 N MET A 8 -16.310 -6.945 -5.009 1.00 0.00 N ATOM 101 CA MET A 8 -14.877 -6.791 -4.897 1.00 0.00 C ATOM 102 C MET A 8 -14.536 -5.391 -4.434 1.00 0.00 C ATOM 103 O MET A 8 -15.042 -4.400 -4.965 1.00 0.00 O ATOM 104 CB MET A 8 -14.176 -7.101 -6.221 1.00 0.00 C ATOM 105 CG MET A 8 -14.144 -8.584 -6.558 1.00 0.00 C ATOM 106 SD MET A 8 -13.304 -8.931 -8.116 1.00 0.00 S ATOM 107 CE MET A 8 -11.653 -8.343 -7.749 1.00 0.00 C ATOM 0 H MET A 8 -16.713 -6.571 -5.868 1.00 0.00 H new ATOM 0 HA MET A 8 -14.519 -7.507 -4.157 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.681 -6.565 -7.025 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.154 -6.724 -6.179 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.644 -9.124 -5.753 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.165 -8.962 -6.609 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.946 -8.779 -8.455 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.627 -7.257 -7.833 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.380 -8.635 -6.735 1.00 0.00 H new ATOM 117 N ILE A 9 -13.691 -5.332 -3.428 1.00 0.00 N ATOM 118 CA ILE A 9 -13.231 -4.082 -2.866 1.00 0.00 C ATOM 119 C ILE A 9 -11.805 -3.857 -3.325 1.00 0.00 C ATOM 120 O ILE A 9 -10.892 -4.576 -2.928 1.00 0.00 O ATOM 121 CB ILE A 9 -13.289 -4.119 -1.325 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.719 -4.399 -0.858 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.759 -2.834 -0.697 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.884 -4.360 0.646 1.00 0.00 C ATOM 0 H ILE A 9 -13.301 -6.158 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.874 -3.269 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.639 -4.928 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.389 -3.666 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.026 -5.379 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.820 -2.908 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.720 -2.686 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.357 -1.989 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.923 -4.567 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.240 -5.112 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.608 -3.373 1.017 1.00 0.00 H new ATOM 136 N GLU A 10 -11.613 -2.878 -4.171 1.00 0.00 N ATOM 137 CA GLU A 10 -10.317 -2.667 -4.785 1.00 0.00 C ATOM 138 C GLU A 10 -9.548 -1.636 -3.983 1.00 0.00 C ATOM 139 O GLU A 10 -10.024 -0.525 -3.771 1.00 0.00 O ATOM 140 CB GLU A 10 -10.481 -2.218 -6.241 1.00 0.00 C ATOM 141 CG GLU A 10 -11.157 -3.259 -7.123 1.00 0.00 C ATOM 142 CD GLU A 10 -10.177 -4.050 -7.968 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.215 -4.614 -7.413 1.00 0.00 O ATOM 144 OE2 GLU A 10 -10.368 -4.107 -9.201 1.00 0.00 O ATOM 0 H GLU A 10 -12.333 -2.213 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.759 -3.603 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.064 -1.298 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.500 -1.985 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.723 -3.947 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.873 -2.762 -7.777 1.00 0.00 H new ATOM 151 N VAL A 11 -8.373 -2.013 -3.517 1.00 0.00 N ATOM 152 CA VAL A 11 -7.573 -1.136 -2.689 1.00 0.00 C ATOM 153 C VAL A 11 -6.218 -0.924 -3.332 1.00 0.00 C ATOM 154 O VAL A 11 -5.603 -1.865 -3.834 1.00 0.00 O ATOM 155 CB VAL A 11 -7.385 -1.713 -1.266 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.523 -0.795 -0.410 1.00 0.00 C ATOM 157 CG2 VAL A 11 -8.732 -1.941 -0.600 1.00 0.00 C ATOM 0 H VAL A 11 -7.952 -2.924 -3.699 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.098 -0.185 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.873 -2.671 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.408 -1.226 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.542 -0.682 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.001 0.181 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.579 -2.347 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.268 -0.994 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.316 -2.645 -1.192 1.00 0.00 H new ATOM 167 N VAL A 12 -5.770 0.309 -3.353 1.00 0.00 N ATOM 168 CA VAL A 12 -4.453 0.621 -3.860 1.00 0.00 C ATOM 169 C VAL A 12 -3.514 0.942 -2.709 1.00 0.00 C ATOM 170 O VAL A 12 -3.853 1.718 -1.814 1.00 0.00 O ATOM 171 CB VAL A 12 -4.486 1.788 -4.869 1.00 0.00 C ATOM 172 CG1 VAL A 12 -4.995 1.307 -6.219 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.352 2.931 -4.353 1.00 0.00 C ATOM 0 H VAL A 12 -6.300 1.116 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.085 -0.257 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.469 2.160 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.012 2.142 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.335 0.527 -6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.003 0.907 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.358 3.741 -5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.370 2.574 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.948 3.296 -3.409 1.00 0.00 H new ATOM 183 N ALA A 13 -2.346 0.327 -2.727 1.00 0.00 N ATOM 184 CA ALA A 13 -1.369 0.497 -1.671 1.00 0.00 C ATOM 185 C ALA A 13 -0.170 1.268 -2.193 1.00 0.00 C ATOM 186 O ALA A 13 0.405 0.921 -3.225 1.00 0.00 O ATOM 187 CB ALA A 13 -0.935 -0.857 -1.117 1.00 0.00 C ATOM 0 H ALA A 13 -2.050 -0.303 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.826 1.065 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.201 -0.708 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.802 -1.380 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.491 -1.452 -1.916 1.00 0.00 H new ATOM 193 N ALA A 14 0.201 2.309 -1.480 1.00 0.00 N ATOM 194 CA ALA A 14 1.295 3.158 -1.886 1.00 0.00 C ATOM 195 C ALA A 14 2.534 2.837 -1.080 1.00 0.00 C ATOM 196 O ALA A 14 2.615 3.138 0.113 1.00 0.00 O ATOM 197 CB ALA A 14 0.916 4.617 -1.710 1.00 0.00 C ATOM 0 H ALA A 14 -0.246 2.588 -0.607 1.00 0.00 H new ATOM 0 HA ALA A 14 1.509 2.976 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.748 5.249 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.043 4.842 -2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.684 4.809 -0.662 1.00 0.00 H new ATOM 203 N ILE A 15 3.496 2.218 -1.733 1.00 0.00 N ATOM 204 CA ILE A 15 4.754 1.909 -1.102 1.00 0.00 C ATOM 205 C ILE A 15 5.723 3.038 -1.393 1.00 0.00 C ATOM 206 O ILE A 15 6.313 3.104 -2.473 1.00 0.00 O ATOM 207 CB ILE A 15 5.334 0.569 -1.613 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.444 -0.596 -1.160 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.766 0.381 -1.137 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.114 -1.948 -1.260 1.00 0.00 C ATOM 0 H ILE A 15 3.426 1.919 -2.706 1.00 0.00 H new ATOM 0 HA ILE A 15 4.596 1.805 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 15 5.349 0.588 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.138 -0.428 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.537 -0.605 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.151 -0.568 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.384 1.196 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.790 0.380 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.424 -2.722 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.395 -2.139 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.006 -1.959 -0.634 1.00 0.00 H new ATOM 222 N ILE A 16 5.876 3.939 -0.441 1.00 0.00 N ATOM 223 CA ILE A 16 6.693 5.111 -0.650 1.00 0.00 C ATOM 224 C ILE A 16 8.098 4.827 -0.183 1.00 0.00 C ATOM 225 O ILE A 16 8.360 4.747 1.013 1.00 0.00 O ATOM 226 CB ILE A 16 6.120 6.334 0.092 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.632 6.473 -0.225 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.868 7.606 -0.292 1.00 0.00 C ATOM 229 CD1 ILE A 16 3.998 7.702 0.367 1.00 0.00 C ATOM 0 H ILE A 16 5.445 3.879 0.481 1.00 0.00 H new ATOM 0 HA ILE A 16 6.700 5.346 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 16 6.247 6.184 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.501 6.493 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.108 5.591 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.444 8.454 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.921 7.501 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.774 7.773 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.942 7.732 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.096 7.675 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.496 8.591 -0.021 1.00 0.00 H new ATOM 241 N GLU A 17 8.991 4.651 -1.128 1.00 0.00 N ATOM 242 CA GLU A 17 10.342 4.263 -0.816 1.00 0.00 C ATOM 243 C GLU A 17 11.288 5.394 -1.160 1.00 0.00 C ATOM 244 O GLU A 17 11.229 5.958 -2.255 1.00 0.00 O ATOM 245 CB GLU A 17 10.719 2.997 -1.578 1.00 0.00 C ATOM 246 CG GLU A 17 12.083 2.441 -1.210 1.00 0.00 C ATOM 247 CD GLU A 17 12.550 1.383 -2.181 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.863 1.745 -3.334 1.00 0.00 O ATOM 249 OE2 GLU A 17 12.610 0.199 -1.798 1.00 0.00 O ATOM 0 H GLU A 17 8.803 4.772 -2.123 1.00 0.00 H new ATOM 0 HA GLU A 17 10.417 4.052 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.964 2.234 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.700 3.209 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.809 3.253 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.042 2.018 -0.206 1.00 0.00 H new ATOM 256 N ARG A 18 12.131 5.741 -0.217 1.00 0.00 N ATOM 257 CA ARG A 18 13.103 6.789 -0.421 1.00 0.00 C ATOM 258 C ARG A 18 14.458 6.319 0.080 1.00 0.00 C ATOM 259 O ARG A 18 14.597 5.948 1.249 1.00 0.00 O ATOM 260 CB ARG A 18 12.676 8.068 0.304 1.00 0.00 C ATOM 261 CG ARG A 18 13.445 9.305 -0.136 1.00 0.00 C ATOM 262 CD ARG A 18 13.021 9.763 -1.526 1.00 0.00 C ATOM 263 NE ARG A 18 13.863 10.847 -2.028 1.00 0.00 N ATOM 264 CZ ARG A 18 14.057 11.092 -3.323 1.00 0.00 C ATOM 265 NH1 ARG A 18 13.481 10.327 -4.242 1.00 0.00 N ATOM 266 NH2 ARG A 18 14.829 12.101 -3.705 1.00 0.00 N ATOM 0 H ARG A 18 12.163 5.309 0.706 1.00 0.00 H new ATOM 0 HA ARG A 18 13.171 7.014 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.612 8.233 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.811 7.929 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.280 10.111 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.514 9.090 -0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.067 8.920 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.983 10.094 -1.497 1.00 0.00 H new ATOM 0 HE ARG A 18 14.328 11.450 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.887 9.548 -3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.632 10.518 -5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.277 12.693 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.974 12.284 -4.698 1.00 0.00 H new ATOM 280 N ASP A 19 15.432 6.289 -0.825 1.00 0.00 N ATOM 281 CA ASP A 19 16.806 5.899 -0.502 1.00 0.00 C ATOM 282 C ASP A 19 16.909 4.415 -0.177 1.00 0.00 C ATOM 283 O ASP A 19 17.934 3.957 0.329 1.00 0.00 O ATOM 284 CB ASP A 19 17.358 6.713 0.673 1.00 0.00 C ATOM 285 CG ASP A 19 17.477 8.189 0.349 1.00 0.00 C ATOM 286 OD1 ASP A 19 18.433 8.563 -0.359 1.00 0.00 O ATOM 287 OD2 ASP A 19 16.621 8.977 0.794 1.00 0.00 O ATOM 0 H ASP A 19 15.293 6.534 -1.805 1.00 0.00 H new ATOM 0 HA ASP A 19 17.403 6.106 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.707 6.585 1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.338 6.325 0.952 1.00 0.00 H new ATOM 292 N GLY A 20 15.869 3.657 -0.481 1.00 0.00 N ATOM 293 CA GLY A 20 15.886 2.243 -0.174 1.00 0.00 C ATOM 294 C GLY A 20 15.126 1.916 1.096 1.00 0.00 C ATOM 295 O GLY A 20 15.159 0.778 1.566 1.00 0.00 O ATOM 0 H GLY A 20 15.018 3.992 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.452 1.689 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.919 1.909 -0.072 1.00 0.00 H new ATOM 299 N LYS A 21 14.459 2.912 1.666 1.00 0.00 N ATOM 300 CA LYS A 21 13.629 2.689 2.842 1.00 0.00 C ATOM 301 C LYS A 21 12.167 2.971 2.511 1.00 0.00 C ATOM 302 O LYS A 21 11.864 3.909 1.776 1.00 0.00 O ATOM 303 CB LYS A 21 14.076 3.568 4.013 1.00 0.00 C ATOM 304 CG LYS A 21 15.565 3.520 4.299 1.00 0.00 C ATOM 305 CD LYS A 21 15.817 3.353 5.789 1.00 0.00 C ATOM 306 CE LYS A 21 17.265 3.015 6.092 1.00 0.00 C ATOM 307 NZ LYS A 21 18.188 4.133 5.769 1.00 0.00 N ATOM 0 H LYS A 21 14.476 3.877 1.335 1.00 0.00 H new ATOM 0 HA LYS A 21 13.740 1.646 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.791 4.600 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.536 3.261 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.020 2.694 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.039 4.435 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.544 4.273 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.173 2.565 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.362 2.761 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.556 2.132 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.164 3.853 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.117 4.360 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.930 4.969 6.331 1.00 0.00 H new ATOM 321 N ILE A 22 11.270 2.178 3.076 1.00 0.00 N ATOM 322 CA ILE A 22 9.851 2.275 2.763 1.00 0.00 C ATOM 323 C ILE A 22 9.105 2.994 3.886 1.00 0.00 C ATOM 324 O ILE A 22 9.496 2.912 5.051 1.00 0.00 O ATOM 325 CB ILE A 22 9.235 0.867 2.553 1.00 0.00 C ATOM 326 CG1 ILE A 22 10.089 0.050 1.581 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.802 0.964 2.046 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.564 -1.351 1.353 1.00 0.00 C ATOM 0 H ILE A 22 11.501 1.455 3.758 1.00 0.00 H new ATOM 0 HA ILE A 22 9.750 2.846 1.840 1.00 0.00 H new ATOM 0 HB ILE A 22 9.218 0.360 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.139 0.572 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.107 -0.009 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.396 -0.038 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.195 1.504 2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.788 1.495 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.216 -1.875 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.540 -1.889 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.557 -1.299 0.940 1.00 0.00 H new ATOM 340 N LEU A 23 8.051 3.717 3.520 1.00 0.00 N ATOM 341 CA LEU A 23 7.251 4.458 4.481 1.00 0.00 C ATOM 342 C LEU A 23 6.148 3.583 5.071 1.00 0.00 C ATOM 343 O LEU A 23 5.287 3.074 4.354 1.00 0.00 O ATOM 344 CB LEU A 23 6.636 5.691 3.814 1.00 0.00 C ATOM 345 CG LEU A 23 5.876 6.629 4.754 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.832 7.269 5.749 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.136 7.690 3.954 1.00 0.00 C ATOM 0 H LEU A 23 7.732 3.804 2.555 1.00 0.00 H new ATOM 0 HA LEU A 23 7.906 4.775 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.431 6.256 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.956 5.359 3.030 1.00 0.00 H new ATOM 0 HG LEU A 23 5.142 6.048 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.277 7.934 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.317 6.492 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.588 7.841 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.599 8.351 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.851 8.272 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.426 7.209 3.281 1.00 0.00 H new ATOM 359 N LEU A 24 6.202 3.412 6.381 1.00 0.00 N ATOM 360 CA LEU A 24 5.180 2.669 7.108 1.00 0.00 C ATOM 361 C LEU A 24 4.393 3.616 8.005 1.00 0.00 C ATOM 362 O LEU A 24 4.970 4.514 8.622 1.00 0.00 O ATOM 363 CB LEU A 24 5.791 1.542 7.955 1.00 0.00 C ATOM 364 CG LEU A 24 6.375 0.353 7.177 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.652 0.740 6.452 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.634 -0.817 8.110 1.00 0.00 C ATOM 0 H LEU A 24 6.949 3.780 6.970 1.00 0.00 H new ATOM 0 HA LEU A 24 4.514 2.214 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.580 1.968 8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.023 1.166 8.631 1.00 0.00 H new ATOM 0 HG LEU A 24 5.641 0.053 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.039 -0.124 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.441 1.544 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.394 1.077 7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.048 -1.651 7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.343 -0.517 8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.698 -1.125 8.576 1.00 0.00 H new ATOM 378 N ALA A 25 3.080 3.425 8.071 1.00 0.00 N ATOM 379 CA ALA A 25 2.229 4.284 8.884 1.00 0.00 C ATOM 380 C ALA A 25 1.488 3.479 9.945 1.00 0.00 C ATOM 381 O ALA A 25 0.700 2.588 9.631 1.00 0.00 O ATOM 382 CB ALA A 25 1.253 5.043 8.002 1.00 0.00 C ATOM 0 H ALA A 25 2.584 2.686 7.573 1.00 0.00 H new ATOM 0 HA ALA A 25 2.864 5.004 9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.623 5.681 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.806 5.658 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.628 4.335 7.458 1.00 0.00 H new ATOM 388 N GLN A 26 1.760 3.797 11.202 1.00 0.00 N ATOM 389 CA GLN A 26 1.167 3.081 12.326 1.00 0.00 C ATOM 390 C GLN A 26 -0.286 3.483 12.543 1.00 0.00 C ATOM 391 O GLN A 26 -0.562 4.564 13.070 1.00 0.00 O ATOM 392 CB GLN A 26 1.959 3.334 13.610 1.00 0.00 C ATOM 393 CG GLN A 26 1.401 2.599 14.820 1.00 0.00 C ATOM 394 CD GLN A 26 2.061 3.019 16.117 1.00 0.00 C ATOM 395 OE1 GLN A 26 3.056 2.436 16.538 1.00 0.00 O ATOM 396 NE2 GLN A 26 1.505 4.033 16.763 1.00 0.00 N ATOM 0 H GLN A 26 2.392 4.551 11.472 1.00 0.00 H new ATOM 0 HA GLN A 26 1.201 2.019 12.082 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.994 3.030 13.455 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.969 4.404 13.817 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.329 2.781 14.888 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.534 1.526 14.681 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.678 4.491 16.379 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.904 4.356 17.645 1.00 0.00 H new ATOM 520 N GLY A 35 0.201 0.022 17.186 1.00 0.00 N ATOM 521 CA GLY A 35 1.436 -0.731 17.220 1.00 0.00 C ATOM 522 C GLY A 35 1.732 -1.395 15.903 1.00 0.00 C ATOM 523 O GLY A 35 2.891 -1.598 15.549 1.00 0.00 O ATOM 0 HA2 GLY A 35 2.258 -0.066 17.483 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.377 -1.488 18.002 1.00 0.00 H new ATOM 527 N LEU A 36 0.686 -1.739 15.177 1.00 0.00 N ATOM 528 CA LEU A 36 0.826 -2.328 13.860 1.00 0.00 C ATOM 529 C LEU A 36 1.036 -1.259 12.796 1.00 0.00 C ATOM 530 O LEU A 36 0.564 -0.127 12.933 1.00 0.00 O ATOM 531 CB LEU A 36 -0.419 -3.153 13.528 1.00 0.00 C ATOM 532 CG LEU A 36 -0.581 -4.485 14.282 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.518 -4.304 15.793 1.00 0.00 C ATOM 534 CD2 LEU A 36 -1.901 -5.117 13.912 1.00 0.00 C ATOM 0 H LEU A 36 -0.280 -1.619 15.482 1.00 0.00 H new ATOM 0 HA LEU A 36 1.703 -2.975 13.868 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.298 -2.539 13.727 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.413 -3.365 12.459 1.00 0.00 H new ATOM 0 HG LEU A 36 0.248 -5.129 13.989 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.637 -5.272 16.281 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.446 -3.875 16.068 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.317 -3.636 16.113 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.015 -6.060 14.446 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.715 -4.445 14.184 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.927 -5.303 12.838 1.00 0.00 H new ATOM 546 N TRP A 37 1.735 -1.636 11.740 1.00 0.00 N ATOM 547 CA TRP A 37 2.024 -0.732 10.641 1.00 0.00 C ATOM 548 C TRP A 37 1.409 -1.273 9.358 1.00 0.00 C ATOM 549 O TRP A 37 1.229 -2.484 9.214 1.00 0.00 O ATOM 550 CB TRP A 37 3.539 -0.571 10.465 1.00 0.00 C ATOM 551 CG TRP A 37 4.253 -0.156 11.719 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.600 -0.958 12.768 1.00 0.00 C ATOM 553 CD2 TRP A 37 4.716 1.161 12.054 1.00 0.00 C ATOM 554 NE1 TRP A 37 5.236 -0.222 13.737 1.00 0.00 N ATOM 555 CE2 TRP A 37 5.322 1.080 13.322 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.674 2.398 11.407 1.00 0.00 C ATOM 557 CZ2 TRP A 37 5.880 2.188 13.954 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.229 3.499 12.035 1.00 0.00 C ATOM 559 CH2 TRP A 37 5.825 3.387 13.297 1.00 0.00 C ATOM 0 H TRP A 37 2.117 -2.574 11.620 1.00 0.00 H new ATOM 0 HA TRP A 37 1.594 0.244 10.865 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.957 -1.515 10.115 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.729 0.169 9.688 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.403 -2.018 12.827 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.587 -0.586 14.623 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.216 2.494 10.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 6.340 2.104 14.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.202 4.460 11.544 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.250 4.265 13.761 1.00 0.00 H new ATOM 570 N GLU A 38 1.084 -0.381 8.440 1.00 0.00 N ATOM 571 CA GLU A 38 0.561 -0.770 7.138 1.00 0.00 C ATOM 572 C GLU A 38 1.018 0.230 6.085 1.00 0.00 C ATOM 573 O GLU A 38 1.532 1.306 6.424 1.00 0.00 O ATOM 574 CB GLU A 38 -0.971 -0.858 7.165 1.00 0.00 C ATOM 575 CG GLU A 38 -1.657 0.408 7.656 1.00 0.00 C ATOM 576 CD GLU A 38 -3.173 0.340 7.550 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.757 -0.709 7.915 1.00 0.00 O ATOM 578 OE2 GLU A 38 -3.783 1.341 7.105 1.00 0.00 O ATOM 0 H GLU A 38 1.173 0.627 8.572 1.00 0.00 H new ATOM 0 HA GLU A 38 0.947 -1.758 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.329 -1.086 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.265 -1.690 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.378 0.587 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.295 1.258 7.078 1.00 0.00 H new ATOM 585 N PHE A 39 0.858 -0.127 4.821 1.00 0.00 N ATOM 586 CA PHE A 39 1.202 0.775 3.735 1.00 0.00 C ATOM 587 C PHE A 39 0.065 1.763 3.514 1.00 0.00 C ATOM 588 O PHE A 39 -1.094 1.464 3.799 1.00 0.00 O ATOM 589 CB PHE A 39 1.497 0.000 2.442 1.00 0.00 C ATOM 590 CG PHE A 39 2.682 -0.904 2.529 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.965 -0.403 2.410 1.00 0.00 C ATOM 592 CD2 PHE A 39 2.510 -2.258 2.722 1.00 0.00 C ATOM 593 CE1 PHE A 39 5.054 -1.239 2.487 1.00 0.00 C ATOM 594 CE2 PHE A 39 3.593 -3.100 2.797 1.00 0.00 C ATOM 595 CZ PHE A 39 4.871 -2.593 2.681 1.00 0.00 C ATOM 0 H PHE A 39 0.493 -1.032 4.523 1.00 0.00 H new ATOM 0 HA PHE A 39 2.106 1.319 4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.621 -0.592 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.656 0.712 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.113 0.655 2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.513 -2.662 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.052 -0.836 2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.444 -4.159 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.724 -3.253 2.742 1.00 0.00 H new ATOM 605 N ALA A 40 0.394 2.944 3.021 1.00 0.00 N ATOM 606 CA ALA A 40 -0.611 3.969 2.793 1.00 0.00 C ATOM 607 C ALA A 40 -1.400 3.664 1.527 1.00 0.00 C ATOM 608 O ALA A 40 -1.032 2.777 0.764 1.00 0.00 O ATOM 609 CB ALA A 40 0.045 5.336 2.704 1.00 0.00 C ATOM 0 H ALA A 40 1.345 3.217 2.772 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.305 3.975 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.718 6.095 2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.568 5.550 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.757 5.345 1.879 1.00 0.00 H new ATOM 615 N GLY A 41 -2.484 4.388 1.309 1.00 0.00 N ATOM 616 CA GLY A 41 -3.276 4.182 0.116 1.00 0.00 C ATOM 617 C GLY A 41 -4.748 4.407 0.372 1.00 0.00 C ATOM 618 O GLY A 41 -5.115 5.295 1.142 1.00 0.00 O ATOM 0 H GLY A 41 -2.830 5.114 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.936 4.860 -0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.122 3.167 -0.251 1.00 0.00 H new ATOM 622 N GLY A 42 -5.585 3.592 -0.249 1.00 0.00 N ATOM 623 CA GLY A 42 -7.015 3.748 -0.095 1.00 0.00 C ATOM 624 C GLY A 42 -7.812 2.882 -1.045 1.00 0.00 C ATOM 625 O GLY A 42 -7.247 2.180 -1.887 1.00 0.00 O ATOM 0 H GLY A 42 -5.300 2.825 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.293 3.503 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.280 4.793 -0.256 1.00 0.00 H new ATOM 629 N LYS A 43 -9.124 2.921 -0.891 1.00 0.00 N ATOM 630 CA LYS A 43 -10.031 2.166 -1.745 1.00 0.00 C ATOM 631 C LYS A 43 -10.210 2.867 -3.090 1.00 0.00 C ATOM 632 O LYS A 43 -10.079 4.088 -3.187 1.00 0.00 O ATOM 633 CB LYS A 43 -11.384 2.014 -1.044 1.00 0.00 C ATOM 634 CG LYS A 43 -12.420 1.235 -1.843 1.00 0.00 C ATOM 635 CD LYS A 43 -13.802 1.379 -1.234 1.00 0.00 C ATOM 636 CE LYS A 43 -14.872 0.754 -2.113 1.00 0.00 C ATOM 637 NZ LYS A 43 -16.239 1.112 -1.653 1.00 0.00 N ATOM 0 H LYS A 43 -9.592 3.475 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.606 1.179 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.230 1.515 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.781 3.006 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.434 1.593 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.142 0.182 -1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.817 0.908 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.025 2.435 -1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.736 1.085 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.759 -0.330 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.930 0.459 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.286 1.042 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.460 2.086 -1.945 1.00 0.00 H new ATOM 651 N VAL A 44 -10.528 2.089 -4.114 1.00 0.00 N ATOM 652 CA VAL A 44 -10.762 2.617 -5.448 1.00 0.00 C ATOM 653 C VAL A 44 -12.239 2.489 -5.793 1.00 0.00 C ATOM 654 O VAL A 44 -12.746 1.381 -5.976 1.00 0.00 O ATOM 655 CB VAL A 44 -9.933 1.866 -6.510 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.161 2.453 -7.894 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.459 1.893 -6.159 1.00 0.00 C ATOM 0 H VAL A 44 -10.631 1.077 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.457 3.664 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.265 0.828 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.565 1.906 -8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.217 2.373 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.865 3.502 -7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.894 1.357 -6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.115 2.926 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.307 1.415 -5.191 1.00 0.00 H new ATOM 667 N GLU A 45 -12.931 3.612 -5.847 1.00 0.00 N ATOM 668 CA GLU A 45 -14.341 3.609 -6.195 1.00 0.00 C ATOM 669 C GLU A 45 -14.474 3.643 -7.719 1.00 0.00 C ATOM 670 O GLU A 45 -13.603 4.187 -8.401 1.00 0.00 O ATOM 671 CB GLU A 45 -15.026 4.819 -5.549 1.00 0.00 C ATOM 672 CG GLU A 45 -16.450 4.558 -5.082 1.00 0.00 C ATOM 673 CD GLU A 45 -16.532 3.462 -4.034 1.00 0.00 C ATOM 674 OE1 GLU A 45 -16.642 2.280 -4.409 1.00 0.00 O ATOM 675 OE2 GLU A 45 -16.490 3.782 -2.825 1.00 0.00 O ATOM 0 H GLU A 45 -12.542 4.535 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.826 2.706 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.431 5.146 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.036 5.641 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.868 5.478 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.064 4.282 -5.939 1.00 0.00 H new ATOM 682 N PRO A 46 -15.548 3.058 -8.287 1.00 0.00 N ATOM 683 CA PRO A 46 -15.743 2.985 -9.747 1.00 0.00 C ATOM 684 C PRO A 46 -15.909 4.351 -10.429 1.00 0.00 C ATOM 685 O PRO A 46 -16.274 4.421 -11.602 1.00 0.00 O ATOM 686 CB PRO A 46 -17.027 2.162 -9.902 1.00 0.00 C ATOM 687 CG PRO A 46 -17.724 2.287 -8.593 1.00 0.00 C ATOM 688 CD PRO A 46 -16.642 2.386 -7.560 1.00 0.00 C ATOM 0 HA PRO A 46 -14.866 2.551 -10.227 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.644 2.543 -10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.803 1.120 -10.132 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.364 3.169 -8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.364 1.424 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.964 2.963 -6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.341 1.404 -7.196 1.00 0.00 H new ATOM 696 N ASP A 47 -15.629 5.424 -9.704 1.00 0.00 N ATOM 697 CA ASP A 47 -15.707 6.769 -10.259 1.00 0.00 C ATOM 698 C ASP A 47 -14.328 7.415 -10.293 1.00 0.00 C ATOM 699 O ASP A 47 -14.194 8.616 -10.534 1.00 0.00 O ATOM 700 CB ASP A 47 -16.680 7.637 -9.454 1.00 0.00 C ATOM 701 CG ASP A 47 -18.130 7.361 -9.801 1.00 0.00 C ATOM 702 OD1 ASP A 47 -18.614 7.904 -10.819 1.00 0.00 O ATOM 703 OD2 ASP A 47 -18.797 6.608 -9.058 1.00 0.00 O ATOM 0 H ASP A 47 -15.344 5.390 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.081 6.691 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.525 7.460 -8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.460 8.689 -9.637 1.00 0.00 H new ATOM 708 N GLU A 48 -13.302 6.609 -10.052 1.00 0.00 N ATOM 709 CA GLU A 48 -11.930 7.089 -10.109 1.00 0.00 C ATOM 710 C GLU A 48 -10.995 6.005 -10.633 1.00 0.00 C ATOM 711 O GLU A 48 -11.400 4.856 -10.817 1.00 0.00 O ATOM 712 CB GLU A 48 -11.481 7.581 -8.730 1.00 0.00 C ATOM 713 CG GLU A 48 -11.377 6.493 -7.677 1.00 0.00 C ATOM 714 CD GLU A 48 -11.259 7.064 -6.280 1.00 0.00 C ATOM 715 OE1 GLU A 48 -10.346 7.883 -6.037 1.00 0.00 O ATOM 716 OE2 GLU A 48 -12.102 6.724 -5.424 1.00 0.00 O ATOM 0 H GLU A 48 -13.395 5.621 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.887 7.928 -10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.510 8.067 -8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.183 8.339 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.255 5.850 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.510 5.867 -7.887 1.00 0.00 H new ATOM 723 N SER A 49 -9.755 6.383 -10.901 1.00 0.00 N ATOM 724 CA SER A 49 -8.756 5.449 -11.394 1.00 0.00 C ATOM 725 C SER A 49 -7.771 5.108 -10.279 1.00 0.00 C ATOM 726 O SER A 49 -7.695 5.822 -9.278 1.00 0.00 O ATOM 727 CB SER A 49 -8.024 6.049 -12.600 1.00 0.00 C ATOM 728 OG SER A 49 -7.112 5.123 -13.168 1.00 0.00 O ATOM 0 H SER A 49 -9.415 7.338 -10.784 1.00 0.00 H new ATOM 0 HA SER A 49 -9.249 4.531 -11.714 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.751 6.354 -13.353 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.488 6.947 -12.292 1.00 0.00 H new ATOM 0 HG SER A 49 -6.663 5.535 -13.935 1.00 0.00 H new ATOM 734 N GLN A 50 -7.012 4.029 -10.461 1.00 0.00 N ATOM 735 CA GLN A 50 -6.078 3.559 -9.440 1.00 0.00 C ATOM 736 C GLN A 50 -5.051 4.628 -9.088 1.00 0.00 C ATOM 737 O GLN A 50 -4.823 4.909 -7.912 1.00 0.00 O ATOM 738 CB GLN A 50 -5.358 2.293 -9.904 1.00 0.00 C ATOM 739 CG GLN A 50 -6.284 1.120 -10.176 1.00 0.00 C ATOM 740 CD GLN A 50 -5.523 -0.155 -10.462 1.00 0.00 C ATOM 741 OE1 GLN A 50 -5.220 -0.926 -9.554 1.00 0.00 O ATOM 742 NE2 GLN A 50 -5.195 -0.379 -11.723 1.00 0.00 N ATOM 0 H GLN A 50 -7.026 3.462 -11.309 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.663 3.334 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.797 2.518 -10.811 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.632 2.001 -9.145 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.936 0.967 -9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.926 1.356 -11.024 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.466 0.287 -12.447 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.671 -1.218 -11.972 1.00 0.00 H new ATOM 751 N ARG A 51 -4.431 5.222 -10.108 1.00 0.00 N ATOM 752 CA ARG A 51 -3.439 6.268 -9.876 1.00 0.00 C ATOM 753 C ARG A 51 -4.067 7.441 -9.138 1.00 0.00 C ATOM 754 O ARG A 51 -3.469 7.998 -8.223 1.00 0.00 O ATOM 755 CB ARG A 51 -2.819 6.772 -11.184 1.00 0.00 C ATOM 756 CG ARG A 51 -2.238 5.683 -12.069 1.00 0.00 C ATOM 757 CD ARG A 51 -1.440 6.284 -13.216 1.00 0.00 C ATOM 758 NE ARG A 51 -1.055 5.284 -14.211 1.00 0.00 N ATOM 759 CZ ARG A 51 0.105 5.289 -14.868 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.037 6.191 -14.581 1.00 0.00 N ATOM 761 NH2 ARG A 51 0.332 4.381 -15.809 1.00 0.00 N ATOM 0 H ARG A 51 -4.596 5.000 -11.090 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.648 5.827 -9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.580 7.312 -11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.032 7.487 -10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.596 5.031 -11.476 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.042 5.063 -12.466 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.031 7.063 -13.698 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.544 6.763 -12.820 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.716 4.535 -14.415 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.867 6.886 -13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.922 6.189 -15.088 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.380 3.683 -16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.218 4.381 -16.314 1.00 0.00 H new ATOM 775 N GLN A 52 -5.296 7.776 -9.508 1.00 0.00 N ATOM 776 CA GLN A 52 -5.980 8.930 -8.944 1.00 0.00 C ATOM 777 C GLN A 52 -6.318 8.675 -7.478 1.00 0.00 C ATOM 778 O GLN A 52 -6.157 9.556 -6.629 1.00 0.00 O ATOM 779 CB GLN A 52 -7.256 9.217 -9.743 1.00 0.00 C ATOM 780 CG GLN A 52 -8.153 10.279 -9.125 1.00 0.00 C ATOM 781 CD GLN A 52 -7.601 11.687 -9.236 1.00 0.00 C ATOM 782 OE1 GLN A 52 -6.871 12.154 -8.363 1.00 0.00 O ATOM 783 NE2 GLN A 52 -7.951 12.378 -10.310 1.00 0.00 N ATOM 0 H GLN A 52 -5.841 7.261 -10.200 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.324 9.798 -9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.978 9.532 -10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.824 8.292 -9.844 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.129 10.242 -9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.309 10.042 -8.073 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.558 11.956 -11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.613 13.332 -10.435 1.00 0.00 H new ATOM 792 N ALA A 53 -6.779 7.462 -7.191 1.00 0.00 N ATOM 793 CA ALA A 53 -7.117 7.065 -5.832 1.00 0.00 C ATOM 794 C ALA A 53 -5.909 7.187 -4.911 1.00 0.00 C ATOM 795 O ALA A 53 -5.996 7.791 -3.845 1.00 0.00 O ATOM 796 CB ALA A 53 -7.664 5.646 -5.816 1.00 0.00 C ATOM 0 H ALA A 53 -6.927 6.733 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.890 7.739 -5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.912 5.363 -4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.560 5.595 -6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.912 4.962 -6.209 1.00 0.00 H new ATOM 802 N LEU A 54 -4.773 6.639 -5.342 1.00 0.00 N ATOM 803 CA LEU A 54 -3.543 6.718 -4.562 1.00 0.00 C ATOM 804 C LEU A 54 -3.145 8.168 -4.331 1.00 0.00 C ATOM 805 O LEU A 54 -2.840 8.570 -3.210 1.00 0.00 O ATOM 806 CB LEU A 54 -2.411 5.987 -5.287 1.00 0.00 C ATOM 807 CG LEU A 54 -2.481 4.463 -5.231 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.681 3.843 -6.364 1.00 0.00 C ATOM 809 CD2 LEU A 54 -1.961 3.973 -3.888 1.00 0.00 C ATOM 0 H LEU A 54 -4.681 6.137 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.721 6.243 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.411 6.297 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.461 6.307 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.521 4.158 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.746 2.757 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.084 4.178 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.638 4.149 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.013 2.885 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.926 4.291 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.571 4.391 -3.087 1.00 0.00 H new ATOM 821 N VAL A 55 -3.186 8.945 -5.401 1.00 0.00 N ATOM 822 CA VAL A 55 -2.777 10.341 -5.366 1.00 0.00 C ATOM 823 C VAL A 55 -3.612 11.142 -4.368 1.00 0.00 C ATOM 824 O VAL A 55 -3.060 11.842 -3.518 1.00 0.00 O ATOM 825 CB VAL A 55 -2.867 10.984 -6.770 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.740 12.497 -6.692 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.793 10.409 -7.682 1.00 0.00 C ATOM 0 H VAL A 55 -3.503 8.627 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.737 10.364 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.847 10.751 -7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.807 12.920 -7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.544 12.898 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.778 12.759 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.867 10.870 -8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.809 10.613 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.932 9.332 -7.774 1.00 0.00 H new ATOM 837 N ARG A 56 -4.934 11.022 -4.445 1.00 0.00 N ATOM 838 CA ARG A 56 -5.804 11.812 -3.581 1.00 0.00 C ATOM 839 C ARG A 56 -5.685 11.375 -2.123 1.00 0.00 C ATOM 840 O ARG A 56 -5.600 12.213 -1.229 1.00 0.00 O ATOM 841 CB ARG A 56 -7.272 11.753 -4.029 1.00 0.00 C ATOM 842 CG ARG A 56 -7.913 10.374 -3.953 1.00 0.00 C ATOM 843 CD ARG A 56 -9.397 10.486 -3.642 1.00 0.00 C ATOM 844 NE ARG A 56 -10.094 9.203 -3.713 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.930 8.761 -2.770 1.00 0.00 C ATOM 846 NH1 ARG A 56 -11.093 9.451 -1.646 1.00 0.00 N ATOM 847 NH2 ARG A 56 -11.600 7.630 -2.953 1.00 0.00 N ATOM 0 H ARG A 56 -5.420 10.395 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.468 12.846 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.852 12.441 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.337 12.111 -5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.773 9.850 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.419 9.780 -3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.523 10.907 -2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.858 11.183 -4.342 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.933 8.612 -4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.579 10.320 -1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.732 9.111 -0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.477 7.098 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.238 7.293 -2.232 1.00 0.00 H new ATOM 861 N GLU A 57 -5.673 10.070 -1.884 1.00 0.00 N ATOM 862 CA GLU A 57 -5.612 9.554 -0.526 1.00 0.00 C ATOM 863 C GLU A 57 -4.313 9.957 0.166 1.00 0.00 C ATOM 864 O GLU A 57 -4.325 10.339 1.334 1.00 0.00 O ATOM 865 CB GLU A 57 -5.781 8.033 -0.515 1.00 0.00 C ATOM 866 CG GLU A 57 -7.144 7.569 -1.016 1.00 0.00 C ATOM 867 CD GLU A 57 -8.290 8.041 -0.142 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.573 9.258 -0.131 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.922 7.195 0.525 1.00 0.00 O ATOM 0 H GLU A 57 -5.705 9.354 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.437 9.996 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.003 7.585 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.632 7.666 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.295 7.934 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.156 6.480 -1.064 1.00 0.00 H new ATOM 876 N LEU A 58 -3.195 9.898 -0.551 1.00 0.00 N ATOM 877 CA LEU A 58 -1.921 10.311 0.031 1.00 0.00 C ATOM 878 C LEU A 58 -1.909 11.818 0.230 1.00 0.00 C ATOM 879 O LEU A 58 -1.304 12.323 1.160 1.00 0.00 O ATOM 880 CB LEU A 58 -0.738 9.909 -0.845 1.00 0.00 C ATOM 881 CG LEU A 58 -0.704 8.447 -1.284 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.590 8.147 -2.021 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.880 7.513 -0.101 1.00 0.00 C ATOM 0 H LEU A 58 -3.143 9.575 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.819 9.804 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.740 10.537 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.182 10.128 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.539 8.278 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.600 7.101 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.663 8.784 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.437 8.340 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.851 6.479 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.076 7.679 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.839 7.709 0.378 1.00 0.00 H new ATOM 895 N ARG A 59 -2.564 12.526 -0.672 1.00 0.00 N ATOM 896 CA ARG A 59 -2.749 13.966 -0.547 1.00 0.00 C ATOM 897 C ARG A 59 -3.470 14.327 0.755 1.00 0.00 C ATOM 898 O ARG A 59 -3.153 15.334 1.392 1.00 0.00 O ATOM 899 CB ARG A 59 -3.534 14.467 -1.759 1.00 0.00 C ATOM 900 CG ARG A 59 -4.011 15.901 -1.662 1.00 0.00 C ATOM 901 CD ARG A 59 -4.709 16.306 -2.944 1.00 0.00 C ATOM 902 NE ARG A 59 -5.328 17.625 -2.860 1.00 0.00 N ATOM 903 CZ ARG A 59 -5.141 18.581 -3.765 1.00 0.00 C ATOM 904 NH1 ARG A 59 -4.186 18.456 -4.680 1.00 0.00 N ATOM 905 NH2 ARG A 59 -5.872 19.689 -3.726 1.00 0.00 N ATOM 0 H ARG A 59 -2.983 12.124 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.773 14.450 -0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.908 14.367 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.399 13.821 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.692 16.009 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.165 16.562 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.989 16.299 -3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.472 15.566 -3.186 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.936 17.824 -2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.594 17.625 -4.689 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.045 19.191 -5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.579 19.808 -3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.726 20.421 -4.421 1.00 0.00 H new ATOM 919 N GLU A 60 -4.429 13.501 1.151 1.00 0.00 N ATOM 920 CA GLU A 60 -5.214 13.771 2.350 1.00 0.00 C ATOM 921 C GLU A 60 -4.560 13.190 3.603 1.00 0.00 C ATOM 922 O GLU A 60 -4.599 13.800 4.671 1.00 0.00 O ATOM 923 CB GLU A 60 -6.636 13.240 2.189 1.00 0.00 C ATOM 924 CG GLU A 60 -7.338 13.792 0.959 1.00 0.00 C ATOM 925 CD GLU A 60 -8.844 13.817 1.092 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.354 13.673 2.223 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.525 14.003 0.062 1.00 0.00 O ATOM 0 H GLU A 60 -4.682 12.642 0.663 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.255 14.853 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.607 12.152 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.216 13.494 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.980 14.804 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.066 13.189 0.093 1.00 0.00 H new ATOM 934 N GLU A 61 -3.955 12.016 3.477 1.00 0.00 N ATOM 935 CA GLU A 61 -3.323 11.366 4.621 1.00 0.00 C ATOM 936 C GLU A 61 -1.883 11.820 4.800 1.00 0.00 C ATOM 937 O GLU A 61 -1.488 12.223 5.891 1.00 0.00 O ATOM 938 CB GLU A 61 -3.359 9.842 4.481 1.00 0.00 C ATOM 939 CG GLU A 61 -4.717 9.244 4.717 1.00 0.00 C ATOM 940 CD GLU A 61 -5.009 9.230 6.187 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.383 8.410 6.908 1.00 0.00 O ATOM 942 OE2 GLU A 61 -5.807 10.071 6.642 1.00 0.00 O ATOM 0 H GLU A 61 -3.888 11.496 2.602 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.894 11.659 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.021 9.570 3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.652 9.405 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.477 9.821 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.754 8.230 4.319 1.00 0.00 H new ATOM 949 N LEU A 62 -1.108 11.767 3.724 1.00 0.00 N ATOM 950 CA LEU A 62 0.327 12.003 3.807 1.00 0.00 C ATOM 951 C LEU A 62 0.697 13.391 3.299 1.00 0.00 C ATOM 952 O LEU A 62 1.878 13.719 3.209 1.00 0.00 O ATOM 953 CB LEU A 62 1.083 10.947 2.996 1.00 0.00 C ATOM 954 CG LEU A 62 0.693 9.495 3.278 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.543 8.554 2.445 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.838 9.171 4.758 1.00 0.00 C ATOM 0 H LEU A 62 -1.449 11.563 2.785 1.00 0.00 H new ATOM 0 HA LEU A 62 0.611 11.935 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.926 11.147 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.150 11.062 3.188 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.353 9.362 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.256 7.523 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.390 8.766 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.594 8.696 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.555 8.133 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.874 9.321 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.190 9.827 5.339 1.00 0.00 H new ATOM 968 N GLY A 63 -0.313 14.210 3.013 1.00 0.00 N ATOM 969 CA GLY A 63 -0.094 15.542 2.466 1.00 0.00 C ATOM 970 C GLY A 63 0.887 15.612 1.303 1.00 0.00 C ATOM 971 O GLY A 63 1.646 16.576 1.198 1.00 0.00 O ATOM 0 H GLY A 63 -1.295 13.970 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.052 15.944 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.267 16.190 3.264 1.00 0.00 H new ATOM 975 N ILE A 64 0.886 14.618 0.423 1.00 0.00 N ATOM 976 CA ILE A 64 1.788 14.650 -0.726 1.00 0.00 C ATOM 977 C ILE A 64 1.066 14.339 -2.031 1.00 0.00 C ATOM 978 O ILE A 64 0.125 13.546 -2.067 1.00 0.00 O ATOM 979 CB ILE A 64 2.980 13.672 -0.579 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.493 12.234 -0.393 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.882 14.084 0.571 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.619 11.220 -0.317 1.00 0.00 C ATOM 0 H ILE A 64 0.285 13.795 0.478 1.00 0.00 H new ATOM 0 HA ILE A 64 2.171 15.670 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 64 3.561 13.716 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.899 12.175 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.834 11.972 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.711 13.381 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.272 15.085 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.311 14.082 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.201 10.222 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.200 11.251 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.266 11.457 0.528 1.00 0.00 H new ATOM 994 N GLU A 65 1.519 14.983 -3.099 1.00 0.00 N ATOM 995 CA GLU A 65 1.047 14.685 -4.443 1.00 0.00 C ATOM 996 C GLU A 65 1.947 13.617 -5.043 1.00 0.00 C ATOM 997 O GLU A 65 3.085 13.896 -5.423 1.00 0.00 O ATOM 998 CB GLU A 65 1.087 15.935 -5.326 1.00 0.00 C ATOM 999 CG GLU A 65 0.282 17.105 -4.789 1.00 0.00 C ATOM 1000 CD GLU A 65 -1.199 16.981 -5.077 1.00 0.00 C ATOM 1001 OE1 GLU A 65 -1.584 17.030 -6.264 1.00 0.00 O ATOM 1002 OE2 GLU A 65 -1.985 16.862 -4.119 1.00 0.00 O ATOM 0 H GLU A 65 2.220 15.723 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 65 0.016 14.336 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.124 16.248 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.715 15.677 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.433 17.180 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.657 18.030 -5.228 1.00 0.00 H new ATOM 1009 N ALA A 66 1.457 12.396 -5.096 1.00 0.00 N ATOM 1010 CA ALA A 66 2.269 11.276 -5.537 1.00 0.00 C ATOM 1011 C ALA A 66 2.246 11.121 -7.053 1.00 0.00 C ATOM 1012 O ALA A 66 1.258 11.445 -7.709 1.00 0.00 O ATOM 1013 CB ALA A 66 1.799 9.997 -4.868 1.00 0.00 C ATOM 0 H ALA A 66 0.500 12.152 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 66 3.300 11.478 -5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.414 9.163 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.887 10.099 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.758 9.810 -5.131 1.00 0.00 H new ATOM 1019 N THR A 67 3.344 10.619 -7.594 1.00 0.00 N ATOM 1020 CA THR A 67 3.447 10.328 -9.014 1.00 0.00 C ATOM 1021 C THR A 67 3.408 8.817 -9.225 1.00 0.00 C ATOM 1022 O THR A 67 4.382 8.120 -8.942 1.00 0.00 O ATOM 1023 CB THR A 67 4.749 10.906 -9.608 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.783 12.328 -9.415 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.867 10.593 -11.095 1.00 0.00 C ATOM 0 H THR A 67 4.187 10.402 -7.062 1.00 0.00 H new ATOM 0 HA THR A 67 2.606 10.796 -9.525 1.00 0.00 H new ATOM 0 HB THR A 67 5.589 10.441 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.648 12.586 -9.033 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.795 11.014 -11.483 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.870 9.513 -11.240 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.021 11.028 -11.627 1.00 0.00 H new ATOM 1033 N VAL A 68 2.271 8.306 -9.689 1.00 0.00 N ATOM 1034 CA VAL A 68 2.090 6.869 -9.835 1.00 0.00 C ATOM 1035 C VAL A 68 2.666 6.383 -11.163 1.00 0.00 C ATOM 1036 O VAL A 68 2.409 6.989 -12.203 1.00 0.00 O ATOM 1037 CB VAL A 68 0.594 6.483 -9.762 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.421 4.970 -9.764 1.00 0.00 C ATOM 1039 CG2 VAL A 68 -0.057 7.101 -8.533 1.00 0.00 C ATOM 0 H VAL A 68 1.465 8.865 -9.969 1.00 0.00 H new ATOM 0 HA VAL A 68 2.621 6.391 -9.012 1.00 0.00 H new ATOM 0 HB VAL A 68 0.097 6.877 -10.648 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.640 4.725 -9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.844 4.557 -10.679 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.934 4.544 -8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.109 6.819 -8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.445 6.741 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.026 8.187 -8.584 1.00 0.00 H new ATOM 1049 N GLY A 69 3.438 5.293 -11.134 1.00 0.00 N ATOM 1050 CA GLY A 69 4.009 4.782 -12.367 1.00 0.00 C ATOM 1051 C GLY A 69 4.980 3.624 -12.187 1.00 0.00 C ATOM 1052 O GLY A 69 6.147 3.757 -12.549 1.00 0.00 O ATOM 0 H GLY A 69 3.673 4.766 -10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.198 4.460 -13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.526 5.595 -12.877 1.00 0.00 H new ATOM 1056 N GLU A 70 4.483 2.477 -11.681 1.00 0.00 N ATOM 1057 CA GLU A 70 5.276 1.236 -11.520 1.00 0.00 C ATOM 1058 C GLU A 70 4.580 0.273 -10.547 1.00 0.00 C ATOM 1059 O GLU A 70 4.562 0.483 -9.335 1.00 0.00 O ATOM 1060 CB GLU A 70 6.729 1.480 -11.082 1.00 0.00 C ATOM 1061 CG GLU A 70 6.897 2.291 -9.814 1.00 0.00 C ATOM 1062 CD GLU A 70 8.354 2.538 -9.501 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.034 1.603 -9.041 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.837 3.661 -9.732 1.00 0.00 O ATOM 0 H GLU A 70 3.516 2.383 -11.370 1.00 0.00 H new ATOM 0 HA GLU A 70 5.329 0.784 -12.511 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.216 0.515 -10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.254 1.988 -11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.380 3.245 -9.920 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.429 1.766 -8.981 1.00 0.00 H new ATOM 1071 N TYR A 71 3.989 -0.773 -11.104 1.00 0.00 N ATOM 1072 CA TYR A 71 3.215 -1.748 -10.332 1.00 0.00 C ATOM 1073 C TYR A 71 4.119 -2.852 -9.767 1.00 0.00 C ATOM 1074 O TYR A 71 4.919 -3.433 -10.500 1.00 0.00 O ATOM 1075 CB TYR A 71 2.155 -2.347 -11.261 1.00 0.00 C ATOM 1076 CG TYR A 71 1.081 -3.165 -10.581 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.064 -2.553 -9.858 1.00 0.00 C ATOM 1078 CD2 TYR A 71 1.061 -4.550 -10.698 1.00 0.00 C ATOM 1079 CE1 TYR A 71 -0.940 -3.296 -9.273 1.00 0.00 C ATOM 1080 CE2 TYR A 71 0.063 -5.299 -10.109 1.00 0.00 C ATOM 1081 CZ TYR A 71 -0.935 -4.667 -9.400 1.00 0.00 C ATOM 1082 OH TYR A 71 -1.943 -5.407 -8.830 1.00 0.00 O ATOM 0 H TYR A 71 4.029 -0.975 -12.103 1.00 0.00 H new ATOM 0 HA TYR A 71 2.743 -1.254 -9.483 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.677 -1.535 -11.809 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.656 -2.977 -11.997 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.060 -1.478 -9.753 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.839 -5.047 -11.259 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.726 -2.805 -8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.064 -6.375 -10.203 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.934 -6.313 -9.202 1.00 0.00 H new ATOM 1092 N VAL A 72 3.999 -3.132 -8.464 1.00 0.00 N ATOM 1093 CA VAL A 72 4.817 -4.170 -7.831 1.00 0.00 C ATOM 1094 C VAL A 72 4.085 -5.508 -7.756 1.00 0.00 C ATOM 1095 O VAL A 72 4.418 -6.445 -8.482 1.00 0.00 O ATOM 1096 CB VAL A 72 5.230 -3.763 -6.396 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.979 -4.892 -5.696 1.00 0.00 C ATOM 1098 CG2 VAL A 72 6.069 -2.498 -6.420 1.00 0.00 C ATOM 0 H VAL A 72 3.351 -2.660 -7.834 1.00 0.00 H new ATOM 0 HA VAL A 72 5.703 -4.279 -8.457 1.00 0.00 H new ATOM 0 HB VAL A 72 4.320 -3.564 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.256 -4.576 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.338 -5.772 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.879 -5.136 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.349 -2.228 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.969 -2.669 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.492 -1.687 -6.864 1.00 0.00 H new ATOM 1108 N ALA A 73 3.077 -5.593 -6.892 1.00 0.00 N ATOM 1109 CA ALA A 73 2.320 -6.836 -6.743 1.00 0.00 C ATOM 1110 C ALA A 73 0.908 -6.574 -6.238 1.00 0.00 C ATOM 1111 O ALA A 73 0.515 -5.427 -6.041 1.00 0.00 O ATOM 1112 CB ALA A 73 3.047 -7.784 -5.802 1.00 0.00 C ATOM 0 H ALA A 73 2.767 -4.829 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 73 2.241 -7.298 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.474 -8.705 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.033 -8.013 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.156 -7.314 -4.825 1.00 0.00 H new ATOM 1118 N SER A 74 0.139 -7.638 -6.047 1.00 0.00 N ATOM 1119 CA SER A 74 -1.208 -7.520 -5.513 1.00 0.00 C ATOM 1120 C SER A 74 -1.540 -8.697 -4.604 1.00 0.00 C ATOM 1121 O SER A 74 -0.977 -9.783 -4.747 1.00 0.00 O ATOM 1122 CB SER A 74 -2.217 -7.434 -6.656 1.00 0.00 C ATOM 1123 OG SER A 74 -1.954 -8.412 -7.648 1.00 0.00 O ATOM 0 H SER A 74 0.428 -8.594 -6.255 1.00 0.00 H new ATOM 0 HA SER A 74 -1.263 -6.608 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.225 -7.571 -6.265 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.180 -6.440 -7.103 1.00 0.00 H new ATOM 0 HG SER A 74 -2.616 -8.335 -8.367 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.449 -8.476 -3.667 1.00 0.00 N ATOM 1130 CA HIS A 75 -2.877 -9.529 -2.763 1.00 0.00 C ATOM 1131 C HIS A 75 -4.386 -9.492 -2.571 1.00 0.00 C ATOM 1132 O HIS A 75 -4.977 -8.420 -2.424 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.178 -9.398 -1.408 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.509 -10.511 -0.458 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -2.987 -10.295 0.816 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -2.423 -11.856 -0.602 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -3.180 -11.457 1.414 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -2.848 -12.417 0.577 1.00 0.00 N ATOM 0 H HIS A 75 -2.904 -7.576 -3.514 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.602 -10.485 -3.209 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.100 -9.372 -1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.457 -8.447 -0.954 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.084 -12.387 -1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.548 -11.596 2.420 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.898 -13.417 0.773 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.002 -10.665 -2.580 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.429 -10.782 -2.329 1.00 0.00 C ATOM 1149 C GLN A 76 -6.708 -11.252 -0.909 1.00 0.00 C ATOM 1150 O GLN A 76 -5.956 -12.043 -0.339 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.084 -11.748 -3.315 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.380 -11.131 -4.667 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.119 -12.086 -5.585 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -7.947 -13.301 -5.506 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -8.950 -11.544 -6.459 1.00 0.00 N ATOM 0 H GLN A 76 -4.532 -11.553 -2.759 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.856 -9.788 -2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.431 -12.610 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.014 -12.119 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.975 -10.228 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.445 -10.828 -5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.065 -10.531 -6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.476 -12.139 -7.099 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.778 -10.729 -0.348 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.309 -11.187 0.924 1.00 0.00 C ATOM 1166 C ARG A 77 -9.789 -10.865 0.927 1.00 0.00 C ATOM 1167 O ARG A 77 -10.265 -10.236 -0.005 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.606 -10.507 2.107 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.788 -8.999 2.145 1.00 0.00 C ATOM 1170 CD ARG A 77 -7.092 -8.386 3.352 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.115 -6.922 3.322 1.00 0.00 N ATOM 1172 CZ ARG A 77 -7.028 -6.149 4.410 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -7.031 -6.692 5.624 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -6.959 -4.828 4.281 1.00 0.00 N ATOM 0 H ARG A 77 -8.311 -9.966 -0.765 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.140 -12.258 1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.985 -10.933 3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.541 -10.734 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.389 -8.560 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.851 -8.760 2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.575 -8.736 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.058 -8.730 3.386 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.203 -6.463 2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.100 -7.704 5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.964 -6.096 6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.972 -4.405 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.893 -4.237 5.110 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.528 -11.288 1.930 1.00 0.00 N ATOM 1189 CA GLU A 78 -11.938 -10.949 1.975 1.00 0.00 C ATOM 1190 C GLU A 78 -12.293 -10.244 3.274 1.00 0.00 C ATOM 1191 O GLU A 78 -11.635 -10.428 4.299 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.818 -12.187 1.776 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.817 -13.141 2.952 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.716 -14.337 2.721 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -13.237 -15.348 2.171 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -14.908 -14.270 3.093 1.00 0.00 O ATOM 0 H GLU A 78 -10.189 -11.853 2.708 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.133 -10.262 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.841 -11.865 1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.480 -12.721 0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.799 -13.484 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.143 -12.611 3.847 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.310 -9.407 3.202 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.857 -8.765 4.374 1.00 0.00 C ATOM 1205 C VAL A 79 -15.335 -9.129 4.485 1.00 0.00 C ATOM 1206 O VAL A 79 -16.196 -8.507 3.856 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.666 -7.225 4.353 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -14.133 -6.620 3.037 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.383 -6.574 5.528 1.00 0.00 C ATOM 0 H VAL A 79 -13.777 -9.156 2.331 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.315 -9.124 5.249 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.598 -7.027 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.984 -5.541 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.559 -7.049 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.191 -6.837 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.235 -5.495 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.449 -6.796 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.979 -6.965 6.462 1.00 0.00 H new ATOM 1219 N SER A 80 -15.609 -10.170 5.259 1.00 0.00 N ATOM 1220 CA SER A 80 -16.960 -10.695 5.416 1.00 0.00 C ATOM 1221 C SER A 80 -17.654 -10.894 4.061 1.00 0.00 C ATOM 1222 O SER A 80 -18.576 -10.156 3.707 1.00 0.00 O ATOM 1223 CB SER A 80 -17.784 -9.770 6.317 1.00 0.00 C ATOM 1224 OG SER A 80 -17.168 -9.626 7.588 1.00 0.00 O ATOM 0 H SER A 80 -14.903 -10.674 5.795 1.00 0.00 H new ATOM 0 HA SER A 80 -16.886 -11.675 5.888 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.888 -8.793 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.789 -10.174 6.438 1.00 0.00 H new ATOM 0 HG SER A 80 -17.709 -9.030 8.148 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.192 -11.878 3.293 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.830 -12.197 2.027 1.00 0.00 C ATOM 1232 C GLY A 81 -17.349 -11.367 0.845 1.00 0.00 C ATOM 1233 O GLY A 81 -17.473 -11.798 -0.299 1.00 0.00 O ATOM 0 H GLY A 81 -16.387 -12.460 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.661 -13.251 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.906 -12.062 2.134 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.806 -10.181 1.097 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.378 -9.305 0.007 1.00 0.00 C ATOM 1239 C ARG A 82 -14.885 -9.429 -0.234 1.00 0.00 C ATOM 1240 O ARG A 82 -14.103 -9.427 0.705 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.759 -7.855 0.301 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.253 -7.677 0.465 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.662 -6.218 0.529 1.00 0.00 C ATOM 1244 NE ARG A 82 -20.109 -6.086 0.686 1.00 0.00 N ATOM 1245 CZ ARG A 82 -20.812 -5.018 0.317 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -20.206 -3.963 -0.215 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -22.130 -5.016 0.480 1.00 0.00 N ATOM 0 H ARG A 82 -16.652 -9.806 2.033 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.893 -9.618 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.254 -7.526 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.406 -7.217 -0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.766 -8.158 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.578 -8.182 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.156 -5.731 1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.343 -5.707 -0.379 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.614 -6.865 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.194 -3.967 -0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.752 -3.149 -0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.595 -5.828 0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.677 -4.202 0.200 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.493 -9.510 -1.494 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.111 -9.792 -1.845 1.00 0.00 C ATOM 1263 C ILE A 83 -12.339 -8.495 -2.057 1.00 0.00 C ATOM 1264 O ILE A 83 -12.614 -7.741 -2.988 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.003 -10.682 -3.113 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.415 -12.132 -2.812 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.589 -10.655 -3.677 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -14.892 -12.325 -2.542 1.00 0.00 C ATOM 0 H ILE A 83 -15.114 -9.384 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.674 -10.342 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.688 -10.274 -3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.128 -12.760 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.852 -12.484 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.539 -11.286 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.323 -9.632 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.891 -11.028 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.090 -13.378 -2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.185 -11.728 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.466 -12.009 -3.413 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.389 -8.237 -1.175 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.548 -7.060 -1.279 1.00 0.00 C ATOM 1282 C ILE A 84 -9.299 -7.375 -2.085 1.00 0.00 C ATOM 1283 O ILE A 84 -8.656 -8.409 -1.886 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.124 -6.497 0.095 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.793 -7.246 1.238 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.471 -5.030 0.200 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.821 -6.439 2.515 1.00 0.00 C ATOM 0 H ILE A 84 -11.181 -8.833 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.148 -6.300 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.045 -6.627 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.813 -7.505 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.264 -8.183 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.164 -4.652 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.952 -4.477 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.547 -4.901 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.308 -7.017 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.801 -6.203 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.374 -5.514 2.349 1.00 0.00 H new ATOM 1299 N HIS A 85 -8.960 -6.476 -2.983 1.00 0.00 N ATOM 1300 CA HIS A 85 -7.851 -6.673 -3.894 1.00 0.00 C ATOM 1301 C HIS A 85 -6.860 -5.518 -3.767 1.00 0.00 C ATOM 1302 O HIS A 85 -7.090 -4.432 -4.297 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.398 -6.774 -5.319 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.388 -7.143 -6.359 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -7.346 -6.539 -7.589 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -6.412 -8.080 -6.366 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -6.388 -7.085 -8.313 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -5.802 -8.026 -7.596 1.00 0.00 N ATOM 0 H HIS A 85 -9.445 -5.587 -3.103 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.322 -7.594 -3.649 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.199 -7.513 -5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -8.843 -5.817 -5.590 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -7.960 -5.785 -7.896 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.159 -8.747 -5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.127 -6.808 -9.324 1.00 0.00 H new ATOM 1317 N LEU A 86 -5.776 -5.753 -3.042 1.00 0.00 N ATOM 1318 CA LEU A 86 -4.781 -4.714 -2.794 1.00 0.00 C ATOM 1319 C LEU A 86 -3.727 -4.677 -3.892 1.00 0.00 C ATOM 1320 O LEU A 86 -3.164 -5.706 -4.257 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.116 -4.910 -1.427 1.00 0.00 C ATOM 1322 CG LEU A 86 -4.918 -4.391 -0.231 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.046 -5.345 0.128 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.003 -4.155 0.958 1.00 0.00 C ATOM 0 H LEU A 86 -5.561 -6.654 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.303 -3.757 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.926 -5.974 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.147 -4.412 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.369 -3.439 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.598 -4.951 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.719 -5.450 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.631 -6.320 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.589 -3.786 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.518 -5.091 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.245 -3.418 0.693 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.481 -3.484 -4.416 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.484 -3.273 -5.462 1.00 0.00 C ATOM 1338 C HIS A 87 -1.296 -2.509 -4.892 1.00 0.00 C ATOM 1339 O HIS A 87 -1.438 -1.351 -4.525 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.073 -2.445 -6.610 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.378 -2.944 -7.153 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -5.590 -2.676 -6.557 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -4.660 -3.654 -8.269 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -6.559 -3.193 -7.285 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.025 -3.792 -8.333 1.00 0.00 N ATOM 0 H HIS A 87 -3.966 -2.634 -4.129 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.172 -4.249 -5.834 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.210 -1.420 -6.265 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.348 -2.413 -7.423 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -5.718 -2.158 -5.688 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.944 -4.041 -8.979 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.614 -3.136 -7.061 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.135 -3.136 -4.830 1.00 0.00 N ATOM 1355 CA ALA A 88 1.045 -2.482 -4.280 1.00 0.00 C ATOM 1356 C ALA A 88 1.816 -1.742 -5.365 1.00 0.00 C ATOM 1357 O ALA A 88 2.249 -2.336 -6.355 1.00 0.00 O ATOM 1358 CB ALA A 88 1.942 -3.493 -3.586 1.00 0.00 C ATOM 0 H ALA A 88 0.019 -4.092 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 88 0.711 -1.751 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.818 -2.985 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.393 -3.970 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.260 -4.250 -4.303 1.00 0.00 H new ATOM 1364 N TRP A 89 1.964 -0.443 -5.172 1.00 0.00 N ATOM 1365 CA TRP A 89 2.691 0.405 -6.100 1.00 0.00 C ATOM 1366 C TRP A 89 3.884 1.062 -5.404 1.00 0.00 C ATOM 1367 O TRP A 89 3.756 1.592 -4.303 1.00 0.00 O ATOM 1368 CB TRP A 89 1.733 1.460 -6.681 1.00 0.00 C ATOM 1369 CG TRP A 89 2.385 2.758 -7.066 1.00 0.00 C ATOM 1370 CD1 TRP A 89 3.270 2.974 -8.082 1.00 0.00 C ATOM 1371 CD2 TRP A 89 2.177 4.029 -6.442 1.00 0.00 C ATOM 1372 NE1 TRP A 89 3.647 4.295 -8.106 1.00 0.00 N ATOM 1373 CE2 TRP A 89 2.984 4.963 -7.113 1.00 0.00 C ATOM 1374 CE3 TRP A 89 1.394 4.466 -5.372 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 3.024 6.306 -6.755 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 1.431 5.801 -5.020 1.00 0.00 C ATOM 1377 CH2 TRP A 89 2.243 6.706 -5.708 1.00 0.00 C ATOM 0 H TRP A 89 1.583 0.054 -4.367 1.00 0.00 H new ATOM 0 HA TRP A 89 3.082 -0.201 -6.917 1.00 0.00 H new ATOM 0 HB2 TRP A 89 1.243 1.041 -7.560 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.953 1.665 -5.948 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.623 2.217 -8.767 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.313 4.710 -8.758 1.00 0.00 H new ATOM 0 HE3 TRP A 89 0.770 3.772 -4.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 3.650 7.008 -7.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 0.822 6.151 -4.199 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.253 7.743 -5.406 1.00 0.00 H new ATOM 1388 N HIS A 90 5.041 1.007 -6.050 1.00 0.00 N ATOM 1389 CA HIS A 90 6.246 1.650 -5.536 1.00 0.00 C ATOM 1390 C HIS A 90 6.251 3.107 -5.971 1.00 0.00 C ATOM 1391 O HIS A 90 6.130 3.395 -7.152 1.00 0.00 O ATOM 1392 CB HIS A 90 7.499 0.927 -6.060 1.00 0.00 C ATOM 1393 CG HIS A 90 8.806 1.573 -5.684 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.608 2.225 -6.591 1.00 0.00 N ATOM 1395 CD2 HIS A 90 9.465 1.630 -4.506 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.700 2.653 -5.991 1.00 0.00 C ATOM 1397 NE2 HIS A 90 10.644 2.304 -4.722 1.00 0.00 N ATOM 0 H HIS A 90 5.172 0.521 -6.937 1.00 0.00 H new ATOM 0 HA HIS A 90 6.255 1.597 -4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.494 -0.096 -5.684 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.439 0.868 -7.147 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.390 2.357 -7.579 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.127 1.221 -3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.505 3.198 -6.460 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.355 2.501 -4.018 1.00 0.00 H new ATOM 1406 N VAL A 91 6.411 4.020 -5.029 1.00 0.00 N ATOM 1407 CA VAL A 91 6.311 5.439 -5.334 1.00 0.00 C ATOM 1408 C VAL A 91 7.660 5.987 -5.773 1.00 0.00 C ATOM 1409 O VAL A 91 8.587 6.092 -4.970 1.00 0.00 O ATOM 1410 CB VAL A 91 5.828 6.241 -4.106 1.00 0.00 C ATOM 1411 CG1 VAL A 91 5.621 7.709 -4.459 1.00 0.00 C ATOM 1412 CG2 VAL A 91 4.553 5.633 -3.541 1.00 0.00 C ATOM 0 H VAL A 91 6.610 3.807 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 91 5.586 5.547 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 91 6.601 6.189 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.281 8.251 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.562 8.136 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.872 7.792 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.227 6.211 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.774 5.649 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.744 4.603 -3.239 1.00 0.00 H new ATOM 1422 N PRO A 92 7.781 6.326 -7.064 1.00 0.00 N ATOM 1423 CA PRO A 92 9.014 6.868 -7.626 1.00 0.00 C ATOM 1424 C PRO A 92 9.250 8.315 -7.200 1.00 0.00 C ATOM 1425 O PRO A 92 10.387 8.728 -6.969 1.00 0.00 O ATOM 1426 CB PRO A 92 8.784 6.776 -9.141 1.00 0.00 C ATOM 1427 CG PRO A 92 7.302 6.811 -9.314 1.00 0.00 C ATOM 1428 CD PRO A 92 6.715 6.196 -8.074 1.00 0.00 C ATOM 0 HA PRO A 92 9.897 6.325 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.261 7.605 -9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.207 5.858 -9.549 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.950 7.835 -9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.002 6.256 -10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.808 6.714 -7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.446 5.152 -8.237 1.00 0.00 H new ATOM 1436 N ASP A 93 8.164 9.073 -7.078 1.00 0.00 N ATOM 1437 CA ASP A 93 8.247 10.497 -6.778 1.00 0.00 C ATOM 1438 C ASP A 93 6.997 10.980 -6.053 1.00 0.00 C ATOM 1439 O ASP A 93 5.885 10.513 -6.318 1.00 0.00 O ATOM 1440 CB ASP A 93 8.419 11.286 -8.077 1.00 0.00 C ATOM 1441 CG ASP A 93 8.306 12.785 -7.888 1.00 0.00 C ATOM 1442 OD1 ASP A 93 9.253 13.399 -7.357 1.00 0.00 O ATOM 1443 OD2 ASP A 93 7.267 13.357 -8.287 1.00 0.00 O ATOM 0 H ASP A 93 7.212 8.722 -7.183 1.00 0.00 H new ATOM 0 HA ASP A 93 9.106 10.659 -6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.393 11.054 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.666 10.960 -8.794 1.00 0.00 H new ATOM 1448 N PHE A 94 7.198 11.905 -5.132 1.00 0.00 N ATOM 1449 CA PHE A 94 6.108 12.519 -4.383 1.00 0.00 C ATOM 1450 C PHE A 94 6.406 13.999 -4.130 1.00 0.00 C ATOM 1451 O PHE A 94 7.525 14.363 -3.771 1.00 0.00 O ATOM 1452 CB PHE A 94 5.889 11.779 -3.051 1.00 0.00 C ATOM 1453 CG PHE A 94 7.111 11.726 -2.168 1.00 0.00 C ATOM 1454 CD1 PHE A 94 8.081 10.753 -2.351 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.290 12.659 -1.162 1.00 0.00 C ATOM 1456 CE1 PHE A 94 9.205 10.712 -1.545 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.412 12.626 -0.357 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.370 11.652 -0.548 1.00 0.00 C ATOM 0 H PHE A 94 8.122 12.255 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 94 5.195 12.445 -4.973 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.081 12.266 -2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.562 10.761 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.958 10.018 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.543 13.423 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.951 9.946 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.539 13.363 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 94 10.247 11.625 0.081 1.00 0.00 H new ATOM 1468 N HIS A 95 5.417 14.851 -4.350 1.00 0.00 N ATOM 1469 CA HIS A 95 5.567 16.279 -4.096 1.00 0.00 C ATOM 1470 C HIS A 95 5.092 16.626 -2.693 1.00 0.00 C ATOM 1471 O HIS A 95 3.931 16.397 -2.353 1.00 0.00 O ATOM 1472 CB HIS A 95 4.770 17.088 -5.123 1.00 0.00 C ATOM 1473 CG HIS A 95 4.885 18.571 -4.954 1.00 0.00 C ATOM 1474 ND1 HIS A 95 3.995 19.320 -4.208 1.00 0.00 N ATOM 1475 CD2 HIS A 95 5.788 19.448 -5.447 1.00 0.00 C ATOM 1476 CE1 HIS A 95 4.350 20.591 -4.254 1.00 0.00 C ATOM 1477 NE2 HIS A 95 5.432 20.691 -4.997 1.00 0.00 N ATOM 0 H HIS A 95 4.500 14.580 -4.704 1.00 0.00 H new ATOM 0 HA HIS A 95 6.624 16.531 -4.183 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.109 16.820 -6.124 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.719 16.806 -5.056 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.632 19.212 -6.078 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.840 21.408 -3.766 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.927 21.558 -5.205 1.00 0.00 H new ATOM 1486 N GLY A 96 5.988 17.179 -1.889 1.00 0.00 N ATOM 1487 CA GLY A 96 5.620 17.616 -0.558 1.00 0.00 C ATOM 1488 C GLY A 96 6.349 16.848 0.520 1.00 0.00 C ATOM 1489 O GLY A 96 7.416 16.284 0.276 1.00 0.00 O ATOM 0 H GLY A 96 6.966 17.333 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.838 18.679 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.545 17.496 -0.423 1.00 0.00 H new ATOM 1493 N THR A 97 5.772 16.816 1.709 1.00 0.00 N ATOM 1494 CA THR A 97 6.354 16.088 2.817 1.00 0.00 C ATOM 1495 C THR A 97 5.308 15.162 3.416 1.00 0.00 C ATOM 1496 O THR A 97 4.149 15.546 3.566 1.00 0.00 O ATOM 1497 CB THR A 97 6.891 17.044 3.902 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.867 17.930 3.333 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.521 16.269 5.052 1.00 0.00 C ATOM 0 H THR A 97 4.896 17.290 1.930 1.00 0.00 H new ATOM 0 HA THR A 97 7.195 15.506 2.440 1.00 0.00 H new ATOM 0 HB THR A 97 6.051 17.620 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.203 18.536 4.027 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.891 16.968 5.802 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.774 15.615 5.502 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.349 15.669 4.676 1.00 0.00 H new ATOM 1507 N LEU A 98 5.723 13.956 3.764 1.00 0.00 N ATOM 1508 CA LEU A 98 4.786 12.950 4.237 1.00 0.00 C ATOM 1509 C LEU A 98 4.384 13.231 5.677 1.00 0.00 C ATOM 1510 O LEU A 98 5.226 13.390 6.560 1.00 0.00 O ATOM 1511 CB LEU A 98 5.296 11.495 4.075 1.00 0.00 C ATOM 1512 CG LEU A 98 6.819 11.232 4.095 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.456 11.630 2.772 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.504 11.926 5.270 1.00 0.00 C ATOM 0 H LEU A 98 6.695 13.650 3.729 1.00 0.00 H new ATOM 0 HA LEU A 98 3.907 13.027 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.848 10.898 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.908 11.113 3.131 1.00 0.00 H new ATOM 0 HG LEU A 98 6.962 10.160 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.528 11.435 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.011 11.049 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.286 12.691 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.573 11.714 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.346 13.002 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.083 11.558 6.206 1.00 0.00 H new ATOM 1526 N GLN A 99 3.089 13.323 5.891 1.00 0.00 N ATOM 1527 CA GLN A 99 2.543 13.567 7.209 1.00 0.00 C ATOM 1528 C GLN A 99 1.553 12.461 7.545 1.00 0.00 C ATOM 1529 O GLN A 99 1.147 11.709 6.665 1.00 0.00 O ATOM 1530 CB GLN A 99 1.868 14.943 7.256 1.00 0.00 C ATOM 1531 CG GLN A 99 0.643 15.056 6.363 1.00 0.00 C ATOM 1532 CD GLN A 99 0.079 16.462 6.316 1.00 0.00 C ATOM 1533 OE1 GLN A 99 0.471 17.272 5.474 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -0.845 16.762 7.216 1.00 0.00 N ATOM 0 H GLN A 99 2.386 13.231 5.158 1.00 0.00 H new ATOM 0 HA GLN A 99 3.344 13.565 7.949 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.578 15.160 8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.592 15.703 6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.905 14.740 5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.127 14.372 6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.141 16.062 7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.260 17.693 7.229 1.00 0.00 H new ATOM 1543 N ALA A 100 1.191 12.335 8.805 1.00 0.00 N ATOM 1544 CA ALA A 100 0.250 11.304 9.207 1.00 0.00 C ATOM 1545 C ALA A 100 -1.064 11.909 9.690 1.00 0.00 C ATOM 1546 O ALA A 100 -1.128 12.508 10.765 1.00 0.00 O ATOM 1547 CB ALA A 100 0.868 10.414 10.271 1.00 0.00 C ATOM 0 H ALA A 100 1.529 12.927 9.564 1.00 0.00 H new ATOM 0 HA ALA A 100 0.023 10.691 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.152 9.646 10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.766 9.941 9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.130 11.016 11.141 1.00 0.00 H new ATOM 1553 N HIS A 101 -2.104 11.770 8.875 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.429 12.282 9.208 1.00 0.00 C ATOM 1555 C HIS A 101 -4.209 11.261 10.042 1.00 0.00 C ATOM 1556 O HIS A 101 -4.305 11.393 11.261 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.187 12.628 7.915 1.00 0.00 C ATOM 1558 CG HIS A 101 -5.615 13.043 8.116 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -6.676 12.267 7.709 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -6.156 14.153 8.672 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.804 12.875 8.003 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -7.520 14.023 8.590 1.00 0.00 N ATOM 0 H HIS A 101 -2.054 11.302 7.970 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.322 13.187 9.807 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.658 13.432 7.404 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.164 11.762 7.254 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -6.599 11.359 7.250 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.616 14.985 9.100 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.796 12.499 7.799 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.762 10.249 9.381 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.491 9.190 10.066 1.00 0.00 C ATOM 1573 C GLU A 102 -4.527 8.243 10.756 1.00 0.00 C ATOM 1574 O GLU A 102 -4.743 7.828 11.898 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.353 8.426 9.069 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.710 9.065 8.826 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.535 9.166 10.090 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -9.154 8.153 10.481 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -8.565 10.252 10.703 1.00 0.00 O ATOM 0 H GLU A 102 -4.718 10.141 8.368 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.134 9.640 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.820 8.353 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.499 7.409 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.569 10.061 8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.256 8.481 8.085 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.459 7.906 10.057 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.417 7.075 10.628 1.00 0.00 C ATOM 1588 C HIS A 103 -1.606 7.910 11.611 1.00 0.00 C ATOM 1589 O HIS A 103 -1.546 9.130 11.481 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.537 6.477 9.524 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.286 5.549 8.597 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -3.222 5.974 7.667 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -2.236 4.199 8.477 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.710 4.924 7.028 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -3.128 3.839 7.500 1.00 0.00 N ATOM 0 H HIS A 103 -3.291 8.195 9.093 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.861 6.237 11.165 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.099 7.287 8.940 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.712 5.932 9.982 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -3.492 6.944 7.502 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.608 3.530 9.047 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.459 4.951 6.250 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.312 2.885 7.188 1.00 0.00 H new ATOM 1604 N GLN A 104 -1.012 7.269 12.607 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.389 7.999 13.703 1.00 0.00 C ATOM 1606 C GLN A 104 1.103 8.224 13.472 1.00 0.00 C ATOM 1607 O GLN A 104 1.532 9.347 13.217 1.00 0.00 O ATOM 1608 CB GLN A 104 -0.622 7.260 15.020 1.00 0.00 C ATOM 1609 CG GLN A 104 -0.149 8.028 16.242 1.00 0.00 C ATOM 1610 CD GLN A 104 -0.616 7.390 17.532 1.00 0.00 C ATOM 1611 OE1 GLN A 104 0.069 6.544 18.106 1.00 0.00 O ATOM 1612 NE2 GLN A 104 -1.789 7.794 17.997 1.00 0.00 N ATOM 0 H GLN A 104 -0.948 6.254 12.680 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.856 8.983 13.752 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.686 7.048 15.124 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -0.108 6.300 14.984 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.940 8.080 16.238 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.518 9.052 16.191 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.324 8.498 17.489 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.157 7.401 18.863 1.00 0.00 H new ATOM 1621 N ALA A 105 1.891 7.164 13.557 1.00 0.00 N ATOM 1622 CA ALA A 105 3.339 7.287 13.437 1.00 0.00 C ATOM 1623 C ALA A 105 3.791 6.948 12.027 1.00 0.00 C ATOM 1624 O ALA A 105 3.121 6.192 11.325 1.00 0.00 O ATOM 1625 CB ALA A 105 4.031 6.391 14.450 1.00 0.00 C ATOM 0 H ALA A 105 1.557 6.212 13.708 1.00 0.00 H new ATOM 0 HA ALA A 105 3.615 8.321 13.643 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.111 6.494 14.348 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.732 6.682 15.457 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.747 5.354 14.272 1.00 0.00 H new ATOM 1631 N LEU A 106 4.927 7.500 11.620 1.00 0.00 N ATOM 1632 CA LEU A 106 5.458 7.273 10.283 1.00 0.00 C ATOM 1633 C LEU A 106 6.933 6.897 10.385 1.00 0.00 C ATOM 1634 O LEU A 106 7.710 7.604 11.027 1.00 0.00 O ATOM 1635 CB LEU A 106 5.304 8.543 9.437 1.00 0.00 C ATOM 1636 CG LEU A 106 4.497 8.389 8.146 1.00 0.00 C ATOM 1637 CD1 LEU A 106 3.078 7.936 8.449 1.00 0.00 C ATOM 1638 CD2 LEU A 106 4.484 9.699 7.372 1.00 0.00 C ATOM 0 H LEU A 106 5.501 8.111 12.201 1.00 0.00 H new ATOM 0 HA LEU A 106 4.906 6.462 9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.831 9.310 10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.298 8.909 9.180 1.00 0.00 H new ATOM 0 HG LEU A 106 4.974 7.626 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.522 7.833 7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.105 6.976 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.588 8.674 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.906 9.575 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.031 10.479 7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.506 9.983 7.121 1.00 0.00 H new ATOM 1650 N VAL A 107 7.319 5.786 9.779 1.00 0.00 N ATOM 1651 CA VAL A 107 8.701 5.331 9.858 1.00 0.00 C ATOM 1652 C VAL A 107 9.232 4.919 8.490 1.00 0.00 C ATOM 1653 O VAL A 107 8.482 4.437 7.640 1.00 0.00 O ATOM 1654 CB VAL A 107 8.846 4.150 10.850 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.157 2.898 10.326 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.309 3.864 11.149 1.00 0.00 C ATOM 0 H VAL A 107 6.703 5.186 9.231 1.00 0.00 H new ATOM 0 HA VAL A 107 9.292 6.172 10.221 1.00 0.00 H new ATOM 0 HB VAL A 107 8.356 4.443 11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.278 2.088 11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.096 3.100 10.182 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.604 2.608 9.375 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.381 3.031 11.848 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.826 3.608 10.224 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.770 4.748 11.590 1.00 0.00 H new ATOM 1666 N TRP A 108 10.519 5.154 8.276 1.00 0.00 N ATOM 1667 CA TRP A 108 11.212 4.640 7.108 1.00 0.00 C ATOM 1668 C TRP A 108 12.101 3.476 7.509 1.00 0.00 C ATOM 1669 O TRP A 108 13.007 3.634 8.331 1.00 0.00 O ATOM 1670 CB TRP A 108 12.074 5.718 6.445 1.00 0.00 C ATOM 1671 CG TRP A 108 11.307 6.715 5.638 1.00 0.00 C ATOM 1672 CD1 TRP A 108 10.448 6.454 4.610 1.00 0.00 C ATOM 1673 CD2 TRP A 108 11.362 8.137 5.768 1.00 0.00 C ATOM 1674 NE1 TRP A 108 9.954 7.630 4.101 1.00 0.00 N ATOM 1675 CE2 TRP A 108 10.504 8.677 4.793 1.00 0.00 C ATOM 1676 CE3 TRP A 108 12.053 9.008 6.614 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 10.314 10.048 4.647 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 11.865 10.369 6.467 1.00 0.00 C ATOM 1679 CH2 TRP A 108 11.003 10.877 5.488 1.00 0.00 C ATOM 0 H TRP A 108 11.107 5.703 8.904 1.00 0.00 H new ATOM 0 HA TRP A 108 10.457 4.312 6.393 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.631 6.247 7.219 1.00 0.00 H new ATOM 0 HB3 TRP A 108 12.807 5.233 5.800 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.194 5.468 4.250 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.287 7.711 3.334 1.00 0.00 H new ATOM 0 HE3 TRP A 108 12.722 8.624 7.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 9.646 10.443 3.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.391 11.052 7.118 1.00 0.00 H new ATOM 0 HH2 TRP A 108 10.880 11.946 5.395 1.00 0.00 H new ATOM 1690 N CYS A 109 11.842 2.313 6.942 1.00 0.00 N ATOM 1691 CA CYS A 109 12.683 1.155 7.186 1.00 0.00 C ATOM 1692 C CYS A 109 12.924 0.394 5.892 1.00 0.00 C ATOM 1693 O CYS A 109 12.148 0.501 4.945 1.00 0.00 O ATOM 1694 CB CYS A 109 12.071 0.244 8.257 1.00 0.00 C ATOM 1695 SG CYS A 109 10.418 -0.367 7.871 1.00 0.00 S ATOM 0 H CYS A 109 11.059 2.144 6.311 1.00 0.00 H new ATOM 0 HA CYS A 109 13.645 1.503 7.562 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.732 -0.609 8.410 1.00 0.00 H new ATOM 0 HB3 CYS A 109 12.031 0.790 9.200 1.00 0.00 H new ATOM 0 HG CYS A 109 10.237 -0.346 6.584 1.00 0.00 H new ATOM 1701 N SER A 110 14.012 -0.353 5.851 1.00 0.00 N ATOM 1702 CA SER A 110 14.374 -1.123 4.673 1.00 0.00 C ATOM 1703 C SER A 110 13.329 -2.215 4.426 1.00 0.00 C ATOM 1704 O SER A 110 12.660 -2.646 5.365 1.00 0.00 O ATOM 1705 CB SER A 110 15.758 -1.733 4.888 1.00 0.00 C ATOM 1706 OG SER A 110 16.660 -0.755 5.383 1.00 0.00 O ATOM 0 H SER A 110 14.667 -0.444 6.628 1.00 0.00 H new ATOM 0 HA SER A 110 14.402 -0.476 3.796 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.691 -2.563 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.133 -2.140 3.949 1.00 0.00 H new ATOM 0 HG SER A 110 17.542 -1.161 5.517 1.00 0.00 H new ATOM 1712 N PRO A 111 13.166 -2.663 3.165 1.00 0.00 N ATOM 1713 CA PRO A 111 12.145 -3.646 2.783 1.00 0.00 C ATOM 1714 C PRO A 111 12.068 -4.845 3.732 1.00 0.00 C ATOM 1715 O PRO A 111 11.000 -5.154 4.259 1.00 0.00 O ATOM 1716 CB PRO A 111 12.562 -4.099 1.375 1.00 0.00 C ATOM 1717 CG PRO A 111 13.869 -3.431 1.088 1.00 0.00 C ATOM 1718 CD PRO A 111 13.954 -2.241 2.003 1.00 0.00 C ATOM 0 HA PRO A 111 11.150 -3.203 2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.662 -5.183 1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.811 -3.816 0.637 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.700 -4.114 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 111 13.925 -3.122 0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.985 -2.014 2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.542 -1.345 1.539 1.00 0.00 H new ATOM 1726 N GLU A 112 13.197 -5.499 3.977 1.00 0.00 N ATOM 1727 CA GLU A 112 13.208 -6.691 4.825 1.00 0.00 C ATOM 1728 C GLU A 112 12.926 -6.328 6.278 1.00 0.00 C ATOM 1729 O GLU A 112 12.386 -7.133 7.037 1.00 0.00 O ATOM 1730 CB GLU A 112 14.537 -7.449 4.728 1.00 0.00 C ATOM 1731 CG GLU A 112 15.773 -6.587 4.923 1.00 0.00 C ATOM 1732 CD GLU A 112 16.223 -5.930 3.639 1.00 0.00 C ATOM 1733 OE1 GLU A 112 15.749 -4.819 3.335 1.00 0.00 O ATOM 1734 OE2 GLU A 112 17.050 -6.531 2.922 1.00 0.00 O ATOM 0 H GLU A 112 14.109 -5.230 3.607 1.00 0.00 H new ATOM 0 HA GLU A 112 12.417 -7.346 4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 112 14.543 -8.243 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 112 14.596 -7.929 3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.564 -5.819 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.583 -7.201 5.317 1.00 0.00 H new ATOM 1741 N GLU A 113 13.292 -5.114 6.661 1.00 0.00 N ATOM 1742 CA GLU A 113 13.040 -4.631 8.011 1.00 0.00 C ATOM 1743 C GLU A 113 11.557 -4.355 8.213 1.00 0.00 C ATOM 1744 O GLU A 113 11.029 -4.535 9.309 1.00 0.00 O ATOM 1745 CB GLU A 113 13.860 -3.372 8.298 1.00 0.00 C ATOM 1746 CG GLU A 113 15.355 -3.634 8.362 1.00 0.00 C ATOM 1747 CD GLU A 113 15.714 -4.664 9.415 1.00 0.00 C ATOM 1748 OE1 GLU A 113 15.293 -4.504 10.577 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.409 -5.647 9.083 1.00 0.00 O ATOM 0 H GLU A 113 13.765 -4.444 6.055 1.00 0.00 H new ATOM 0 HA GLU A 113 13.346 -5.408 8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.660 -2.632 7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.532 -2.940 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.704 -3.977 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.876 -2.701 8.577 1.00 0.00 H new ATOM 1756 N ALA A 114 10.893 -3.930 7.144 1.00 0.00 N ATOM 1757 CA ALA A 114 9.460 -3.668 7.176 1.00 0.00 C ATOM 1758 C ALA A 114 8.676 -4.932 7.495 1.00 0.00 C ATOM 1759 O ALA A 114 7.746 -4.909 8.295 1.00 0.00 O ATOM 1760 CB ALA A 114 9.001 -3.083 5.846 1.00 0.00 C ATOM 0 H ALA A 114 11.329 -3.759 6.238 1.00 0.00 H new ATOM 0 HA ALA A 114 9.267 -2.944 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.929 -2.892 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.530 -2.149 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.216 -3.789 5.044 1.00 0.00 H new ATOM 1766 N LEU A 115 9.075 -6.041 6.888 1.00 0.00 N ATOM 1767 CA LEU A 115 8.364 -7.302 7.065 1.00 0.00 C ATOM 1768 C LEU A 115 8.610 -7.879 8.458 1.00 0.00 C ATOM 1769 O LEU A 115 7.892 -8.770 8.906 1.00 0.00 O ATOM 1770 CB LEU A 115 8.782 -8.299 5.978 1.00 0.00 C ATOM 1771 CG LEU A 115 7.640 -9.112 5.347 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.198 -10.250 6.252 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.454 -8.211 5.041 1.00 0.00 C ATOM 0 H LEU A 115 9.885 -6.095 6.270 1.00 0.00 H new ATOM 0 HA LEU A 115 7.295 -7.112 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.295 -7.752 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.505 -8.994 6.406 1.00 0.00 H new ATOM 0 HG LEU A 115 8.018 -9.542 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.390 -10.803 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.039 -10.920 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.848 -9.845 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.654 -8.802 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.096 -7.754 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.760 -7.430 4.345 1.00 0.00 H new ATOM 1785 N GLN A 116 9.623 -7.369 9.147 1.00 0.00 N ATOM 1786 CA GLN A 116 9.899 -7.788 10.516 1.00 0.00 C ATOM 1787 C GLN A 116 9.052 -6.989 11.502 1.00 0.00 C ATOM 1788 O GLN A 116 9.055 -7.257 12.705 1.00 0.00 O ATOM 1789 CB GLN A 116 11.383 -7.623 10.835 1.00 0.00 C ATOM 1790 CG GLN A 116 12.274 -8.620 10.112 1.00 0.00 C ATOM 1791 CD GLN A 116 13.739 -8.252 10.200 1.00 0.00 C ATOM 1792 OE1 GLN A 116 14.442 -8.645 11.133 1.00 0.00 O ATOM 1793 NE2 GLN A 116 14.210 -7.507 9.217 1.00 0.00 N ATOM 0 H GLN A 116 10.266 -6.666 8.782 1.00 0.00 H new ATOM 0 HA GLN A 116 9.638 -8.842 10.612 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.693 -6.612 10.570 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.529 -7.730 11.910 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.125 -9.612 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 116 11.978 -8.675 9.064 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.591 -7.204 8.465 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.193 -7.234 9.210 1.00 0.00 H new ATOM 1802 N TYR A 117 8.324 -6.011 10.985 1.00 0.00 N ATOM 1803 CA TYR A 117 7.405 -5.228 11.793 1.00 0.00 C ATOM 1804 C TYR A 117 6.008 -5.829 11.712 1.00 0.00 C ATOM 1805 O TYR A 117 5.732 -6.638 10.822 1.00 0.00 O ATOM 1806 CB TYR A 117 7.382 -3.767 11.329 1.00 0.00 C ATOM 1807 CG TYR A 117 8.408 -2.892 12.018 1.00 0.00 C ATOM 1808 CD1 TYR A 117 8.127 -2.299 13.243 1.00 0.00 C ATOM 1809 CD2 TYR A 117 9.654 -2.664 11.453 1.00 0.00 C ATOM 1810 CE1 TYR A 117 9.058 -1.504 13.883 1.00 0.00 C ATOM 1811 CE2 TYR A 117 10.594 -1.871 12.089 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.289 -1.292 13.303 1.00 0.00 C ATOM 1813 OH TYR A 117 11.221 -0.509 13.947 1.00 0.00 O ATOM 0 H TYR A 117 8.353 -5.740 10.002 1.00 0.00 H new ATOM 0 HA TYR A 117 7.745 -5.250 12.828 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.554 -3.734 10.253 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.389 -3.355 11.506 1.00 0.00 H new ATOM 0 HD1 TYR A 117 7.164 -2.463 13.703 1.00 0.00 H new ATOM 0 HD2 TYR A 117 9.895 -3.113 10.501 1.00 0.00 H new ATOM 0 HE1 TYR A 117 8.821 -1.051 14.834 1.00 0.00 H new ATOM 0 HE2 TYR A 117 11.561 -1.707 11.637 1.00 0.00 H new ATOM 0 HH TYR A 117 12.037 -0.460 13.406 1.00 0.00 H new ATOM 1823 N PRO A 118 5.112 -5.464 12.643 1.00 0.00 N ATOM 1824 CA PRO A 118 3.745 -5.978 12.652 1.00 0.00 C ATOM 1825 C PRO A 118 2.901 -5.392 11.522 1.00 0.00 C ATOM 1826 O PRO A 118 2.117 -4.465 11.729 1.00 0.00 O ATOM 1827 CB PRO A 118 3.203 -5.549 14.015 1.00 0.00 C ATOM 1828 CG PRO A 118 4.006 -4.350 14.388 1.00 0.00 C ATOM 1829 CD PRO A 118 5.361 -4.531 13.759 1.00 0.00 C ATOM 0 HA PRO A 118 3.715 -7.057 12.497 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.141 -5.311 13.961 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.314 -6.344 14.752 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.530 -3.437 14.029 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.090 -4.261 15.471 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.767 -3.583 13.405 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.080 -4.940 14.469 1.00 0.00 H new ATOM 1837 N LEU A 119 3.109 -5.912 10.322 1.00 0.00 N ATOM 1838 CA LEU A 119 2.323 -5.521 9.165 1.00 0.00 C ATOM 1839 C LEU A 119 1.039 -6.338 9.113 1.00 0.00 C ATOM 1840 O LEU A 119 0.981 -7.451 9.644 1.00 0.00 O ATOM 1841 CB LEU A 119 3.125 -5.725 7.874 1.00 0.00 C ATOM 1842 CG LEU A 119 4.341 -4.808 7.687 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.021 -5.096 6.358 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.929 -3.348 7.755 1.00 0.00 C ATOM 0 H LEU A 119 3.823 -6.613 10.125 1.00 0.00 H new ATOM 0 HA LEU A 119 2.074 -4.464 9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.466 -6.760 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.454 -5.584 7.027 1.00 0.00 H new ATOM 0 HG LEU A 119 5.045 -5.007 8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.882 -4.438 6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.352 -6.134 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.317 -4.923 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.807 -2.716 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.205 -3.137 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.479 -3.142 8.726 1.00 0.00 H new ATOM 1856 N ALA A 120 0.010 -5.779 8.499 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.259 -6.477 8.354 1.00 0.00 C ATOM 1858 C ALA A 120 -1.127 -7.641 7.369 1.00 0.00 C ATOM 1859 O ALA A 120 -0.248 -7.631 6.505 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.343 -5.509 7.903 1.00 0.00 C ATOM 0 H ALA A 120 0.027 -4.844 8.092 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.542 -6.887 9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.287 -6.043 7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.454 -4.717 8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.065 -5.072 6.944 1.00 0.00 H new ATOM 1866 N PRO A 121 -2.008 -8.661 7.476 1.00 0.00 N ATOM 1867 CA PRO A 121 -1.955 -9.865 6.624 1.00 0.00 C ATOM 1868 C PRO A 121 -2.129 -9.561 5.133 1.00 0.00 C ATOM 1869 O PRO A 121 -1.958 -10.435 4.283 1.00 0.00 O ATOM 1870 CB PRO A 121 -3.123 -10.720 7.131 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.020 -9.769 7.845 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.115 -8.735 8.447 1.00 0.00 C ATOM 0 HA PRO A 121 -0.983 -10.353 6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.642 -11.207 6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -2.774 -11.508 7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.734 -9.313 7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.599 -10.279 8.615 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.618 -7.775 8.560 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.766 -9.031 9.436 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.473 -8.323 4.815 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.605 -7.908 3.432 1.00 0.00 C ATOM 1882 C ALA A 122 -1.300 -7.300 2.938 1.00 0.00 C ATOM 1883 O ALA A 122 -0.928 -7.462 1.777 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.737 -6.906 3.280 1.00 0.00 C ATOM 0 H ALA A 122 -2.665 -7.590 5.498 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.836 -8.787 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.820 -6.607 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.673 -7.363 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.531 -6.029 3.893 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.602 -6.636 3.849 1.00 0.00 N ATOM 1891 CA ASP A 123 0.603 -5.878 3.528 1.00 0.00 C ATOM 1892 C ASP A 123 1.823 -6.782 3.448 1.00 0.00 C ATOM 1893 O ASP A 123 2.767 -6.508 2.704 1.00 0.00 O ATOM 1894 CB ASP A 123 0.841 -4.810 4.598 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.298 -3.815 4.704 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.380 -4.199 5.202 1.00 0.00 O ATOM 1897 OD2 ASP A 123 -0.110 -2.652 4.293 1.00 0.00 O ATOM 0 H ASP A 123 -0.856 -6.607 4.837 1.00 0.00 H new ATOM 0 HA ASP A 123 0.455 -5.411 2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.983 -5.296 5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.763 -4.275 4.371 1.00 0.00 H new ATOM 1902 N ILE A 124 1.790 -7.871 4.203 1.00 0.00 N ATOM 1903 CA ILE A 124 2.928 -8.779 4.305 1.00 0.00 C ATOM 1904 C ILE A 124 3.303 -9.375 2.939 1.00 0.00 C ATOM 1905 O ILE A 124 4.439 -9.215 2.489 1.00 0.00 O ATOM 1906 CB ILE A 124 2.647 -9.905 5.330 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.447 -9.304 6.723 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.780 -10.923 5.345 1.00 0.00 C ATOM 1909 CD1 ILE A 124 2.022 -10.309 7.774 1.00 0.00 C ATOM 0 H ILE A 124 0.982 -8.150 4.759 1.00 0.00 H new ATOM 0 HA ILE A 124 3.778 -8.195 4.657 1.00 0.00 H new ATOM 0 HB ILE A 124 1.735 -10.423 5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.377 -8.833 7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.695 -8.517 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.558 -11.703 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.882 -11.368 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.711 -10.427 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 124 1.902 -9.804 8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.075 -10.763 7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 124 2.783 -11.084 7.865 1.00 0.00 H new ATOM 1921 N PRO A 125 2.363 -10.059 2.248 1.00 0.00 N ATOM 1922 CA PRO A 125 2.632 -10.642 0.927 1.00 0.00 C ATOM 1923 C PRO A 125 3.004 -9.590 -0.118 1.00 0.00 C ATOM 1924 O PRO A 125 3.700 -9.889 -1.089 1.00 0.00 O ATOM 1925 CB PRO A 125 1.313 -11.326 0.547 1.00 0.00 C ATOM 1926 CG PRO A 125 0.285 -10.706 1.425 1.00 0.00 C ATOM 1927 CD PRO A 125 0.988 -10.341 2.694 1.00 0.00 C ATOM 0 HA PRO A 125 3.483 -11.322 0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 125 1.078 -11.170 -0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.368 -12.403 0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.150 -9.825 0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.532 -11.401 1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.533 -9.473 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.959 -11.154 3.419 1.00 0.00 H new ATOM 1935 N LEU A 126 2.561 -8.353 0.094 1.00 0.00 N ATOM 1936 CA LEU A 126 2.861 -7.273 -0.835 1.00 0.00 C ATOM 1937 C LEU A 126 4.326 -6.893 -0.727 1.00 0.00 C ATOM 1938 O LEU A 126 4.998 -6.661 -1.732 1.00 0.00 O ATOM 1939 CB LEU A 126 1.982 -6.049 -0.554 1.00 0.00 C ATOM 1940 CG LEU A 126 0.487 -6.245 -0.807 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.279 -4.975 -0.479 1.00 0.00 C ATOM 1942 CD2 LEU A 126 0.240 -6.657 -2.249 1.00 0.00 C ATOM 0 H LEU A 126 1.996 -8.077 0.897 1.00 0.00 H new ATOM 0 HA LEU A 126 2.650 -7.621 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.122 -5.753 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.332 -5.221 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 126 0.129 -7.042 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.341 -5.133 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.128 -4.720 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.082 -4.160 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.829 -6.792 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.613 -5.882 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.759 -7.593 -2.454 1.00 0.00 H new ATOM 1954 N LEU A 127 4.819 -6.851 0.501 1.00 0.00 N ATOM 1955 CA LEU A 127 6.209 -6.512 0.749 1.00 0.00 C ATOM 1956 C LEU A 127 7.111 -7.669 0.337 1.00 0.00 C ATOM 1957 O LEU A 127 8.181 -7.452 -0.238 1.00 0.00 O ATOM 1958 CB LEU A 127 6.409 -6.151 2.228 1.00 0.00 C ATOM 1959 CG LEU A 127 7.777 -5.557 2.607 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.853 -6.630 2.679 1.00 0.00 C ATOM 1961 CD2 LEU A 127 8.171 -4.475 1.617 1.00 0.00 C ATOM 0 H LEU A 127 4.275 -7.048 1.341 1.00 0.00 H new ATOM 0 HA LEU A 127 6.479 -5.642 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.636 -5.438 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.250 -7.050 2.824 1.00 0.00 H new ATOM 0 HG LEU A 127 7.686 -5.115 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.805 -6.173 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.579 -7.370 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.947 -7.117 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.141 -4.062 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.233 -4.902 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.423 -3.682 1.627 1.00 0.00 H new ATOM 1973 N GLU A 128 6.675 -8.897 0.615 1.00 0.00 N ATOM 1974 CA GLU A 128 7.433 -10.083 0.227 1.00 0.00 C ATOM 1975 C GLU A 128 7.747 -10.069 -1.263 1.00 0.00 C ATOM 1976 O GLU A 128 8.862 -10.391 -1.671 1.00 0.00 O ATOM 1977 CB GLU A 128 6.661 -11.354 0.586 1.00 0.00 C ATOM 1978 CG GLU A 128 6.726 -11.721 2.061 1.00 0.00 C ATOM 1979 CD GLU A 128 8.128 -12.099 2.509 1.00 0.00 C ATOM 1980 OE1 GLU A 128 8.963 -12.454 1.646 1.00 0.00 O ATOM 1981 OE2 GLU A 128 8.394 -12.074 3.729 1.00 0.00 O ATOM 0 H GLU A 128 5.803 -9.095 1.106 1.00 0.00 H new ATOM 0 HA GLU A 128 8.374 -10.072 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.617 -11.226 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.053 -12.184 -0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.373 -10.879 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.050 -12.554 2.254 1.00 0.00 H new ATOM 1988 N ALA A 129 6.778 -9.669 -2.075 1.00 0.00 N ATOM 1989 CA ALA A 129 6.995 -9.603 -3.511 1.00 0.00 C ATOM 1990 C ALA A 129 7.713 -8.326 -3.900 1.00 0.00 C ATOM 1991 O ALA A 129 8.367 -8.268 -4.938 1.00 0.00 O ATOM 1992 CB ALA A 129 5.698 -9.712 -4.280 1.00 0.00 C ATOM 0 H ALA A 129 5.846 -9.389 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 129 7.622 -10.455 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 129 5.903 -9.658 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.217 -10.663 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.037 -8.893 -3.996 1.00 0.00 H new ATOM 1998 N PHE A 130 7.614 -7.304 -3.062 1.00 0.00 N ATOM 1999 CA PHE A 130 8.282 -6.047 -3.335 1.00 0.00 C ATOM 2000 C PHE A 130 9.781 -6.253 -3.241 1.00 0.00 C ATOM 2001 O PHE A 130 10.540 -5.870 -4.133 1.00 0.00 O ATOM 2002 CB PHE A 130 7.833 -4.974 -2.340 1.00 0.00 C ATOM 2003 CG PHE A 130 8.542 -3.663 -2.516 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.100 -2.751 -3.451 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.653 -3.350 -1.749 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.747 -1.547 -3.622 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.306 -2.147 -1.916 1.00 0.00 C ATOM 2008 CZ PHE A 130 9.854 -1.244 -2.853 1.00 0.00 C ATOM 0 H PHE A 130 7.080 -7.323 -2.193 1.00 0.00 H new ATOM 0 HA PHE A 130 8.021 -5.710 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 130 6.760 -4.815 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.001 -5.336 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.236 -2.983 -4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 130 10.011 -4.055 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.389 -0.841 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.171 -1.913 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.364 -0.301 -2.986 1.00 0.00 H new ATOM 2018 N MET A 131 10.199 -6.889 -2.158 1.00 0.00 N ATOM 2019 CA MET A 131 11.600 -7.196 -1.967 1.00 0.00 C ATOM 2020 C MET A 131 12.018 -8.306 -2.925 1.00 0.00 C ATOM 2021 O MET A 131 13.162 -8.342 -3.368 1.00 0.00 O ATOM 2022 CB MET A 131 11.891 -7.576 -0.508 1.00 0.00 C ATOM 2023 CG MET A 131 11.249 -8.877 -0.054 1.00 0.00 C ATOM 2024 SD MET A 131 11.583 -9.240 1.682 1.00 0.00 S ATOM 2025 CE MET A 131 13.375 -9.301 1.673 1.00 0.00 C ATOM 0 H MET A 131 9.588 -7.200 -1.403 1.00 0.00 H new ATOM 0 HA MET A 131 12.189 -6.306 -2.188 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.970 -7.652 -0.374 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.546 -6.770 0.140 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.172 -8.821 -0.210 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.618 -9.696 -0.671 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.726 -9.818 2.566 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.716 -9.835 0.786 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.774 -8.287 1.661 1.00 0.00 H new ATOM 2035 N ALA A 132 11.084 -9.200 -3.269 1.00 0.00 N ATOM 2036 CA ALA A 132 11.336 -10.224 -4.278 1.00 0.00 C ATOM 2037 C ALA A 132 11.691 -9.595 -5.619 1.00 0.00 C ATOM 2038 O ALA A 132 12.599 -10.054 -6.310 1.00 0.00 O ATOM 2039 CB ALA A 132 10.110 -11.123 -4.431 1.00 0.00 C ATOM 0 H ALA A 132 10.149 -9.232 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 132 12.183 -10.825 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.308 -11.884 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.892 -11.606 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.254 -10.522 -4.738 1.00 0.00 H new ATOM 2045 N LEU A 133 10.987 -8.528 -5.969 1.00 0.00 N ATOM 2046 CA LEU A 133 11.216 -7.844 -7.235 1.00 0.00 C ATOM 2047 C LEU A 133 12.605 -7.232 -7.275 1.00 0.00 C ATOM 2048 O LEU A 133 13.253 -7.210 -8.318 1.00 0.00 O ATOM 2049 CB LEU A 133 10.165 -6.756 -7.463 1.00 0.00 C ATOM 2050 CG LEU A 133 9.095 -7.088 -8.509 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.266 -8.287 -8.074 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.209 -5.877 -8.751 1.00 0.00 C ATOM 0 H LEU A 133 10.252 -8.116 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 133 11.135 -8.584 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.670 -6.548 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.673 -5.840 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 133 9.592 -7.348 -9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.513 -8.503 -8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 133 8.916 -9.153 -7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 133 7.774 -8.065 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.452 -6.123 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.722 -5.591 -7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.817 -5.048 -9.112 1.00 0.00 H new ATOM 2064 N ARG A 134 13.068 -6.752 -6.134 1.00 0.00 N ATOM 2065 CA ARG A 134 14.371 -6.113 -6.065 1.00 0.00 C ATOM 2066 C ARG A 134 15.492 -7.139 -5.900 1.00 0.00 C ATOM 2067 O ARG A 134 16.638 -6.876 -6.261 1.00 0.00 O ATOM 2068 CB ARG A 134 14.419 -5.107 -4.916 1.00 0.00 C ATOM 2069 CG ARG A 134 13.439 -3.954 -5.067 1.00 0.00 C ATOM 2070 CD ARG A 134 13.764 -2.831 -4.095 1.00 0.00 C ATOM 2071 NE ARG A 134 15.131 -2.341 -4.290 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.698 -1.363 -3.587 1.00 0.00 C ATOM 2073 NH1 ARG A 134 15.001 -0.663 -2.700 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.970 -1.060 -3.808 1.00 0.00 N ATOM 0 H ARG A 134 12.565 -6.792 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 134 14.524 -5.588 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.212 -5.628 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.429 -4.705 -4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 134 13.472 -3.576 -6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.424 -4.310 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 134 13.058 -2.012 -4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.645 -3.186 -3.071 1.00 0.00 H new ATOM 0 HE ARG A 134 15.691 -2.783 -5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 134 14.014 -0.871 -2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 134 15.452 0.083 -2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.502 -1.574 -4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 134 17.416 -0.313 -3.276 1.00 0.00 H new ATOM 2088 N ALA A 135 15.158 -8.311 -5.377 1.00 0.00 N ATOM 2089 CA ALA A 135 16.165 -9.330 -5.102 1.00 0.00 C ATOM 2090 C ALA A 135 16.344 -10.263 -6.294 1.00 0.00 C ATOM 2091 O ALA A 135 17.464 -10.657 -6.623 1.00 0.00 O ATOM 2092 CB ALA A 135 15.791 -10.129 -3.862 1.00 0.00 C ATOM 0 H ALA A 135 14.204 -8.580 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 135 17.113 -8.822 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.554 -10.884 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.722 -9.459 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.829 -10.616 -4.020 1.00 0.00 H new ATOM 2098 N ALA A 136 15.241 -10.609 -6.942 1.00 0.00 N ATOM 2099 CA ALA A 136 15.279 -11.509 -8.088 1.00 0.00 C ATOM 2100 C ALA A 136 15.349 -10.729 -9.395 1.00 0.00 C ATOM 2101 O ALA A 136 15.990 -11.168 -10.349 1.00 0.00 O ATOM 2102 CB ALA A 136 14.069 -12.427 -8.082 1.00 0.00 C ATOM 0 H ALA A 136 14.308 -10.280 -6.694 1.00 0.00 H new ATOM 0 HA ALA A 136 16.180 -12.118 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.113 -13.092 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 136 14.066 -13.019 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.159 -11.829 -8.131 1.00 0.00 H new