USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 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 65 ASN : amide:sc= -0.212 X(o=-3.1,f=-3.3!) USER MOD Set 1.2: A 88 MET CE :methyl -121:sc= -2.91 (180deg=-5.03!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -169:sc= -1.02 (180deg=-1.62!) USER MOD Single : A 29 MET CE :methyl 179:sc= -0.364 (180deg=-0.365) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 36:sc= 0.712 USER MOD Single : A 32 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 39 TYR OH : rot 6:sc= 0.85 USER MOD Single : A 41 GLN : amide:sc= -3.52! C(o=-3.5!,f=-13!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.977 USER MOD Single : A 47 SER OG : rot 132:sc= 1.15 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 33:sc= 0.548 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0623 K(o=-0.062,f=-0.94) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 178:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.911 4.121 -14.926 1.00 0.00 N ATOM 60 CA GLY A 7 8.450 3.388 -13.759 1.00 0.00 C ATOM 61 C GLY A 7 7.395 2.350 -14.146 1.00 0.00 C ATOM 62 O GLY A 7 6.771 2.457 -15.201 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.294 2.893 -13.279 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.032 4.083 -13.030 1.00 0.00 H new ATOM 66 N TYR A 8 7.228 1.369 -13.272 1.00 0.00 N ATOM 67 CA TYR A 8 6.259 0.312 -13.508 1.00 0.00 C ATOM 68 C TYR A 8 5.371 0.098 -12.281 1.00 0.00 C ATOM 69 O TYR A 8 5.765 0.418 -11.161 1.00 0.00 O ATOM 70 CB TYR A 8 7.073 -0.958 -13.762 1.00 0.00 C ATOM 71 CG TYR A 8 8.080 -1.282 -12.656 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.634 -1.632 -11.398 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.434 -1.225 -12.917 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.581 -1.938 -10.357 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.381 -1.530 -11.876 1.00 0.00 C ATOM 76 CZ TYR A 8 9.908 -1.872 -10.648 1.00 0.00 C ATOM 77 OH TYR A 8 10.803 -2.160 -9.665 1.00 0.00 O ATOM 0 H TYR A 8 7.748 1.284 -12.398 1.00 0.00 H new ATOM 0 HA TYR A 8 5.610 0.567 -14.346 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.389 -1.799 -13.875 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.607 -0.852 -14.706 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.574 -1.676 -11.194 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.783 -0.952 -13.902 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.245 -2.213 -9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.443 -1.488 -12.066 1.00 0.00 H new ATOM 0 HH TYR A 8 11.714 -2.073 -10.016 1.00 0.00 H new ATOM 87 N VAL A 9 4.187 -0.442 -12.534 1.00 0.00 N ATOM 88 CA VAL A 9 3.240 -0.703 -11.464 1.00 0.00 C ATOM 89 C VAL A 9 3.241 -2.199 -11.141 1.00 0.00 C ATOM 90 O VAL A 9 3.725 -3.008 -11.931 1.00 0.00 O ATOM 91 CB VAL A 9 1.856 -0.176 -11.849 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.872 -0.316 -10.686 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.936 1.275 -12.328 1.00 0.00 C ATOM 0 H VAL A 9 3.863 -0.706 -13.464 1.00 0.00 H new ATOM 0 HA VAL A 9 3.534 -0.174 -10.557 1.00 0.00 H new ATOM 0 HB VAL A 9 1.485 -0.782 -12.676 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.104 0.066 -10.987 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.781 -1.367 -10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.236 0.253 -9.831 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.939 1.625 -12.595 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.338 1.900 -11.531 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.588 1.335 -13.200 1.00 0.00 H new ATOM 103 N PHE A 10 2.694 -2.521 -9.978 1.00 0.00 N ATOM 104 CA PHE A 10 2.626 -3.905 -9.541 1.00 0.00 C ATOM 105 C PHE A 10 1.369 -4.154 -8.704 1.00 0.00 C ATOM 106 O PHE A 10 1.007 -3.335 -7.862 1.00 0.00 O ATOM 107 CB PHE A 10 3.860 -4.161 -8.674 1.00 0.00 C ATOM 108 CG PHE A 10 3.808 -3.486 -7.302 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.284 -2.222 -7.148 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.287 -4.151 -6.236 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.236 -1.595 -5.874 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.239 -3.525 -4.963 1.00 0.00 C ATOM 113 CZ PHE A 10 3.715 -2.260 -4.809 1.00 0.00 C ATOM 0 H PHE A 10 2.294 -1.847 -9.325 1.00 0.00 H new ATOM 0 HA PHE A 10 2.592 -4.567 -10.406 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.977 -5.236 -8.534 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.744 -3.811 -9.206 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.699 -1.694 -7.994 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.910 -5.156 -6.358 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.613 -0.590 -5.752 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.825 -4.053 -4.117 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.679 -1.784 -3.840 1.00 0.00 H new ATOM 123 N THR A 11 0.739 -5.290 -8.966 1.00 0.00 N ATOM 124 CA THR A 11 -0.469 -5.658 -8.248 1.00 0.00 C ATOM 125 C THR A 11 -0.117 -6.328 -6.918 1.00 0.00 C ATOM 126 O THR A 11 0.997 -6.819 -6.743 1.00 0.00 O ATOM 127 CB THR A 11 -1.316 -6.541 -9.167 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.599 -5.706 -10.286 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.692 -6.852 -8.576 1.00 0.00 C ATOM 0 H THR A 11 1.043 -5.967 -9.666 1.00 0.00 H new ATOM 0 HA THR A 11 -1.056 -4.778 -7.987 1.00 0.00 H new ATOM 0 HB THR A 11 -0.787 -7.474 -9.363 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.144 -6.200 -10.934 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.252 -7.481 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.571 -7.375 -7.627 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.236 -5.922 -8.411 1.00 0.00 H new ATOM 137 N VAL A 12 -1.087 -6.326 -6.015 1.00 0.00 N ATOM 138 CA VAL A 12 -0.892 -6.927 -4.707 1.00 0.00 C ATOM 139 C VAL A 12 -2.151 -7.703 -4.315 1.00 0.00 C ATOM 140 O VAL A 12 -3.200 -7.109 -4.070 1.00 0.00 O ATOM 141 CB VAL A 12 -0.513 -5.851 -3.688 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.442 -6.409 -2.631 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.091 -4.628 -4.381 1.00 0.00 C ATOM 0 H VAL A 12 -2.010 -5.918 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.066 -7.637 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.425 -5.533 -3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.696 -5.624 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.039 -7.234 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.351 -6.768 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.352 -3.878 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.987 -4.924 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.635 -4.209 -5.078 1.00 0.00 H new ATOM 153 N GLU A 13 -2.005 -9.019 -4.269 1.00 0.00 N ATOM 154 CA GLU A 13 -3.118 -9.883 -3.911 1.00 0.00 C ATOM 155 C GLU A 13 -2.954 -10.394 -2.478 1.00 0.00 C ATOM 156 O GLU A 13 -2.091 -11.228 -2.208 1.00 0.00 O ATOM 157 CB GLU A 13 -3.247 -11.047 -4.897 1.00 0.00 C ATOM 158 CG GLU A 13 -4.008 -10.619 -6.153 1.00 0.00 C ATOM 159 CD GLU A 13 -3.978 -11.722 -7.214 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.335 -12.864 -6.854 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.600 -11.396 -8.360 1.00 0.00 O ATOM 0 H GLU A 13 -1.134 -9.508 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.037 -9.300 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.256 -11.406 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.766 -11.878 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.041 -10.385 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.567 -9.708 -6.557 1.00 0.00 H new ATOM 168 N LEU A 14 -3.796 -9.873 -1.598 1.00 0.00 N ATOM 169 CA LEU A 14 -3.755 -10.265 -0.200 1.00 0.00 C ATOM 170 C LEU A 14 -5.120 -10.823 0.209 1.00 0.00 C ATOM 171 O LEU A 14 -6.070 -10.783 -0.572 1.00 0.00 O ATOM 172 CB LEU A 14 -3.281 -9.100 0.670 1.00 0.00 C ATOM 173 CG LEU A 14 -1.978 -8.425 0.237 1.00 0.00 C ATOM 174 CD1 LEU A 14 -2.097 -6.902 0.317 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.792 -8.951 1.047 1.00 0.00 C ATOM 0 H LEU A 14 -4.511 -9.182 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.026 -11.061 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.068 -8.346 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.158 -9.462 1.691 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.792 -8.679 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.157 -6.447 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.900 -6.565 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.319 -6.608 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.121 -8.455 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.955 -8.748 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.696 -10.026 0.895 1.00 0.00 H new ATOM 187 N GLU A 15 -5.174 -11.330 1.431 1.00 0.00 N ATOM 188 CA GLU A 15 -6.407 -11.895 1.953 1.00 0.00 C ATOM 189 C GLU A 15 -6.765 -11.245 3.291 1.00 0.00 C ATOM 190 O GLU A 15 -6.061 -11.429 4.283 1.00 0.00 O ATOM 191 CB GLU A 15 -6.298 -13.414 2.094 1.00 0.00 C ATOM 192 CG GLU A 15 -7.459 -13.974 2.918 1.00 0.00 C ATOM 193 CD GLU A 15 -7.687 -15.455 2.609 1.00 0.00 C ATOM 194 OE1 GLU A 15 -8.371 -15.725 1.599 1.00 0.00 O ATOM 195 OE2 GLU A 15 -7.172 -16.283 3.391 1.00 0.00 O ATOM 0 H GLU A 15 -4.384 -11.362 2.075 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.208 -11.685 1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.293 -13.875 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.352 -13.671 2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.249 -13.849 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.367 -13.410 2.704 1.00 0.00 H new ATOM 202 N ARG A 16 -7.858 -10.497 3.276 1.00 0.00 N ATOM 203 CA ARG A 16 -8.317 -9.818 4.476 1.00 0.00 C ATOM 204 C ARG A 16 -8.096 -10.703 5.704 1.00 0.00 C ATOM 205 O ARG A 16 -8.791 -11.701 5.888 1.00 0.00 O ATOM 206 CB ARG A 16 -9.802 -9.462 4.373 1.00 0.00 C ATOM 207 CG ARG A 16 -10.189 -8.419 5.424 1.00 0.00 C ATOM 208 CD ARG A 16 -11.636 -8.613 5.882 1.00 0.00 C ATOM 209 NE ARG A 16 -12.466 -7.472 5.435 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.644 -7.141 5.981 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.138 -7.862 6.996 1.00 0.00 N ATOM 212 NH2 ARG A 16 -14.328 -6.089 5.511 1.00 0.00 N ATOM 0 H ARG A 16 -8.439 -10.346 2.452 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.740 -8.899 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.019 -9.078 3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.405 -10.360 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.519 -8.495 6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.066 -7.418 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.033 -9.543 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.674 -8.698 6.968 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.120 -6.902 4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.617 -8.663 7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.035 -7.610 7.412 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.952 -5.540 4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.225 -5.837 5.926 1.00 0.00 H new ATOM 226 N GLY A 17 -7.125 -10.306 6.513 1.00 0.00 N ATOM 227 CA GLY A 17 -6.803 -11.051 7.718 1.00 0.00 C ATOM 228 C GLY A 17 -7.751 -10.681 8.861 1.00 0.00 C ATOM 229 O GLY A 17 -8.718 -9.948 8.657 1.00 0.00 O ATOM 0 H GLY A 17 -6.550 -9.478 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.869 -12.120 7.517 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.774 -10.845 8.013 1.00 0.00 H new ATOM 233 N PRO A 18 -7.433 -11.219 10.069 1.00 0.00 N ATOM 234 CA PRO A 18 -8.246 -10.953 11.243 1.00 0.00 C ATOM 235 C PRO A 18 -8.001 -9.538 11.771 1.00 0.00 C ATOM 236 O PRO A 18 -8.590 -9.135 12.772 1.00 0.00 O ATOM 237 CB PRO A 18 -7.860 -12.034 12.241 1.00 0.00 C ATOM 238 CG PRO A 18 -6.522 -12.579 11.768 1.00 0.00 C ATOM 239 CD PRO A 18 -6.296 -12.091 10.347 1.00 0.00 C ATOM 0 HA PRO A 18 -9.315 -10.987 11.031 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.781 -11.625 13.248 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.613 -12.822 12.274 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.719 -12.238 12.421 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.520 -13.668 11.802 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.353 -11.552 10.259 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.254 -12.923 9.644 1.00 0.00 H new ATOM 247 N SER A 19 -7.131 -8.823 11.073 1.00 0.00 N ATOM 248 CA SER A 19 -6.801 -7.462 11.458 1.00 0.00 C ATOM 249 C SER A 19 -7.370 -6.476 10.435 1.00 0.00 C ATOM 250 O SER A 19 -7.574 -5.303 10.745 1.00 0.00 O ATOM 251 CB SER A 19 -5.288 -7.277 11.588 1.00 0.00 C ATOM 252 OG SER A 19 -4.576 -7.965 10.564 1.00 0.00 O ATOM 0 H SER A 19 -6.645 -9.161 10.243 1.00 0.00 H new ATOM 0 HA SER A 19 -7.249 -7.265 12.432 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.048 -6.215 11.545 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.961 -7.639 12.563 1.00 0.00 H new ATOM 0 HG SER A 19 -3.614 -7.821 10.681 1.00 0.00 H new ATOM 258 N GLY A 20 -7.609 -6.988 9.237 1.00 0.00 N ATOM 259 CA GLY A 20 -8.150 -6.168 8.166 1.00 0.00 C ATOM 260 C GLY A 20 -7.031 -5.610 7.285 1.00 0.00 C ATOM 261 O GLY A 20 -7.028 -4.424 6.956 1.00 0.00 O ATOM 0 H GLY A 20 -7.438 -7.961 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.834 -6.761 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.729 -5.347 8.589 1.00 0.00 H new ATOM 265 N LEU A 21 -6.108 -6.490 6.926 1.00 0.00 N ATOM 266 CA LEU A 21 -4.987 -6.100 6.089 1.00 0.00 C ATOM 267 C LEU A 21 -3.954 -5.360 6.941 1.00 0.00 C ATOM 268 O LEU A 21 -2.790 -5.755 6.995 1.00 0.00 O ATOM 269 CB LEU A 21 -5.474 -5.300 4.879 1.00 0.00 C ATOM 270 CG LEU A 21 -6.697 -5.862 4.152 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.679 -4.747 3.788 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.280 -6.681 2.929 1.00 0.00 C ATOM 0 H LEU A 21 -6.114 -7.473 7.200 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.492 -6.981 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.705 -4.287 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.654 -5.224 4.165 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.216 -6.539 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.539 -5.174 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.013 -4.245 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.186 -4.026 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.168 -7.069 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.724 -6.047 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.650 -7.512 3.245 1.00 0.00 H new ATOM 284 N GLY A 22 -4.416 -4.298 7.585 1.00 0.00 N ATOM 285 CA GLY A 22 -3.547 -3.498 8.431 1.00 0.00 C ATOM 286 C GLY A 22 -2.607 -2.633 7.589 1.00 0.00 C ATOM 287 O GLY A 22 -1.390 -2.802 7.639 1.00 0.00 O ATOM 0 H GLY A 22 -5.382 -3.973 7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.150 -2.862 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.963 -4.151 9.079 1.00 0.00 H new ATOM 291 N MET A 23 -3.209 -1.724 6.835 1.00 0.00 N ATOM 292 CA MET A 23 -2.441 -0.831 5.984 1.00 0.00 C ATOM 293 C MET A 23 -2.823 0.629 6.235 1.00 0.00 C ATOM 294 O MET A 23 -3.881 1.081 5.801 1.00 0.00 O ATOM 295 CB MET A 23 -2.696 -1.180 4.516 1.00 0.00 C ATOM 296 CG MET A 23 -1.385 -1.492 3.791 1.00 0.00 C ATOM 297 SD MET A 23 -1.696 -1.750 2.052 1.00 0.00 S ATOM 298 CE MET A 23 -3.303 -2.524 2.136 1.00 0.00 C ATOM 0 H MET A 23 -4.219 -1.587 6.796 1.00 0.00 H new ATOM 0 HA MET A 23 -1.384 -0.956 6.218 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.364 -2.039 4.453 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.199 -0.348 4.023 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.681 -0.671 3.925 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.924 -2.381 4.222 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.563 -2.929 1.158 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.280 -3.331 2.868 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.048 -1.785 2.433 1.00 0.00 H new ATOM 308 N GLY A 24 -1.940 1.326 6.935 1.00 0.00 N ATOM 309 CA GLY A 24 -2.171 2.726 7.249 1.00 0.00 C ATOM 310 C GLY A 24 -2.131 3.585 5.984 1.00 0.00 C ATOM 311 O GLY A 24 -1.175 4.326 5.762 1.00 0.00 O ATOM 0 H GLY A 24 -1.063 0.947 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.138 2.838 7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.415 3.074 7.953 1.00 0.00 H new ATOM 315 N LEU A 25 -3.183 3.458 5.188 1.00 0.00 N ATOM 316 CA LEU A 25 -3.280 4.214 3.951 1.00 0.00 C ATOM 317 C LEU A 25 -3.824 5.611 4.254 1.00 0.00 C ATOM 318 O LEU A 25 -4.846 5.751 4.924 1.00 0.00 O ATOM 319 CB LEU A 25 -4.104 3.444 2.916 1.00 0.00 C ATOM 320 CG LEU A 25 -3.784 1.954 2.778 1.00 0.00 C ATOM 321 CD1 LEU A 25 -4.486 1.354 1.559 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.272 1.719 2.742 1.00 0.00 C ATOM 0 H LEU A 25 -3.975 2.843 5.376 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.294 4.345 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.159 3.547 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.964 3.917 1.944 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.169 1.439 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.242 0.294 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.564 1.471 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.153 1.868 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.072 0.652 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.842 2.249 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.824 2.088 3.665 1.00 0.00 H new ATOM 334 N ILE A 26 -3.117 6.610 3.746 1.00 0.00 N ATOM 335 CA ILE A 26 -3.517 7.991 3.954 1.00 0.00 C ATOM 336 C ILE A 26 -3.633 8.693 2.599 1.00 0.00 C ATOM 337 O ILE A 26 -3.042 8.253 1.615 1.00 0.00 O ATOM 338 CB ILE A 26 -2.560 8.685 4.925 1.00 0.00 C ATOM 339 CG1 ILE A 26 -3.110 10.046 5.358 1.00 0.00 C ATOM 340 CG2 ILE A 26 -1.157 8.797 4.327 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.780 10.329 6.825 1.00 0.00 C ATOM 0 H ILE A 26 -2.270 6.490 3.191 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.500 8.037 4.423 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.479 8.071 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.688 10.830 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.190 10.068 5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.497 9.294 5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.773 7.800 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.200 9.377 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.182 11.302 7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.224 9.557 7.453 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.699 10.330 6.961 1.00 0.00 H new ATOM 353 N ASP A 27 -4.400 9.774 2.593 1.00 0.00 N ATOM 354 CA ASP A 27 -4.602 10.541 1.375 1.00 0.00 C ATOM 355 C ASP A 27 -3.330 11.330 1.058 1.00 0.00 C ATOM 356 O ASP A 27 -2.886 12.149 1.861 1.00 0.00 O ATOM 357 CB ASP A 27 -5.749 11.540 1.538 1.00 0.00 C ATOM 358 CG ASP A 27 -6.760 11.557 0.389 1.00 0.00 C ATOM 359 OD1 ASP A 27 -7.505 10.560 0.274 1.00 0.00 O ATOM 360 OD2 ASP A 27 -6.764 12.566 -0.349 1.00 0.00 O ATOM 0 H ASP A 27 -4.889 10.137 3.412 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.842 9.843 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.278 11.315 2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.328 12.539 1.646 1.00 0.00 H new ATOM 365 N GLY A 28 -2.779 11.055 -0.115 1.00 0.00 N ATOM 366 CA GLY A 28 -1.566 11.728 -0.549 1.00 0.00 C ATOM 367 C GLY A 28 -1.618 13.220 -0.213 1.00 0.00 C ATOM 368 O GLY A 28 -0.583 13.844 0.018 1.00 0.00 O ATOM 0 H GLY A 28 -3.150 10.375 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.701 11.273 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.438 11.598 -1.624 1.00 0.00 H new ATOM 372 N MET A 29 -2.833 13.749 -0.197 1.00 0.00 N ATOM 373 CA MET A 29 -3.033 15.156 0.107 1.00 0.00 C ATOM 374 C MET A 29 -2.690 15.455 1.568 1.00 0.00 C ATOM 375 O MET A 29 -2.051 16.463 1.865 1.00 0.00 O ATOM 376 CB MET A 29 -4.490 15.534 -0.164 1.00 0.00 C ATOM 377 CG MET A 29 -4.821 15.413 -1.653 1.00 0.00 C ATOM 378 SD MET A 29 -4.892 17.035 -2.396 1.00 0.00 S ATOM 379 CE MET A 29 -4.108 16.693 -3.962 1.00 0.00 C ATOM 0 H MET A 29 -3.689 13.228 -0.390 1.00 0.00 H new ATOM 0 HA MET A 29 -2.372 15.744 -0.529 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.151 14.886 0.413 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.673 16.555 0.171 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.066 14.807 -2.154 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.776 14.903 -1.782 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.085 17.602 -4.564 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.089 16.346 -3.791 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.670 15.923 -4.490 1.00 0.00 H new ATOM 389 N HIS A 30 -3.131 14.562 2.441 1.00 0.00 N ATOM 390 CA HIS A 30 -2.879 14.718 3.864 1.00 0.00 C ATOM 391 C HIS A 30 -1.371 14.719 4.121 1.00 0.00 C ATOM 392 O HIS A 30 -0.882 15.471 4.962 1.00 0.00 O ATOM 393 CB HIS A 30 -3.617 13.645 4.667 1.00 0.00 C ATOM 394 CG HIS A 30 -5.019 14.036 5.071 1.00 0.00 C ATOM 395 ND1 HIS A 30 -5.407 14.174 6.393 1.00 0.00 N ATOM 396 CD2 HIS A 30 -6.119 14.316 4.315 1.00 0.00 C ATOM 397 CE1 HIS A 30 -6.685 14.521 6.419 1.00 0.00 C ATOM 398 NE2 HIS A 30 -7.124 14.609 5.131 1.00 0.00 N ATOM 0 H HIS A 30 -3.661 13.727 2.191 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.271 15.677 4.204 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.662 12.730 4.076 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.042 13.417 5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.165 14.302 3.236 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.276 14.702 7.305 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.070 14.859 4.842 1.00 0.00 H new ATOM 406 N THR A 31 -0.676 13.867 3.380 1.00 0.00 N ATOM 407 CA THR A 31 0.766 13.761 3.517 1.00 0.00 C ATOM 408 C THR A 31 1.460 14.874 2.731 1.00 0.00 C ATOM 409 O THR A 31 0.898 15.410 1.777 1.00 0.00 O ATOM 410 CB THR A 31 1.180 12.356 3.075 1.00 0.00 C ATOM 411 OG1 THR A 31 0.418 12.124 1.894 1.00 0.00 O ATOM 412 CG2 THR A 31 0.703 11.272 4.045 1.00 0.00 C ATOM 0 H THR A 31 -1.085 13.244 2.683 1.00 0.00 H new ATOM 0 HA THR A 31 1.076 13.897 4.553 1.00 0.00 H new ATOM 0 HB THR A 31 2.265 12.310 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.327 12.962 1.394 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.023 10.295 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.130 11.453 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.385 11.296 4.111 1.00 0.00 H new ATOM 420 N HIS A 32 2.673 15.190 3.161 1.00 0.00 N ATOM 421 CA HIS A 32 3.451 16.231 2.509 1.00 0.00 C ATOM 422 C HIS A 32 3.353 16.069 0.991 1.00 0.00 C ATOM 423 O HIS A 32 3.418 17.051 0.253 1.00 0.00 O ATOM 424 CB HIS A 32 4.895 16.227 3.014 1.00 0.00 C ATOM 425 CG HIS A 32 5.093 16.968 4.314 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.331 17.414 4.743 1.00 0.00 N ATOM 427 CD2 HIS A 32 4.197 17.338 5.275 1.00 0.00 C ATOM 428 CE1 HIS A 32 6.176 18.022 5.910 1.00 0.00 C ATOM 429 NE2 HIS A 32 4.853 17.973 6.238 1.00 0.00 N ATOM 0 H HIS A 32 3.136 14.744 3.953 1.00 0.00 H new ATOM 0 HA HIS A 32 3.042 17.209 2.763 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.221 15.195 3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.536 16.671 2.253 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.134 17.146 5.255 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.960 18.477 6.498 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.436 18.361 7.084 1.00 0.00 H new ATOM 437 N LEU A 33 3.199 14.822 0.569 1.00 0.00 N ATOM 438 CA LEU A 33 3.092 14.519 -0.848 1.00 0.00 C ATOM 439 C LEU A 33 2.233 15.587 -1.530 1.00 0.00 C ATOM 440 O LEU A 33 2.553 16.036 -2.630 1.00 0.00 O ATOM 441 CB LEU A 33 2.577 13.093 -1.054 1.00 0.00 C ATOM 442 CG LEU A 33 3.176 12.328 -2.236 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.494 11.659 -1.844 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.170 11.325 -2.805 1.00 0.00 C ATOM 0 H LEU A 33 3.146 14.010 1.184 1.00 0.00 H new ATOM 0 HA LEU A 33 4.074 14.550 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.768 12.524 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.495 13.134 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 33 3.401 13.043 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.899 11.122 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.206 12.419 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.318 10.959 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.620 10.794 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.891 10.610 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.281 11.855 -3.146 1.00 0.00 H new ATOM 456 N GLY A 34 1.161 15.962 -0.849 1.00 0.00 N ATOM 457 CA GLY A 34 0.255 16.969 -1.375 1.00 0.00 C ATOM 458 C GLY A 34 -0.343 16.523 -2.711 1.00 0.00 C ATOM 459 O GLY A 34 -0.921 17.331 -3.437 1.00 0.00 O ATOM 0 H GLY A 34 0.899 15.587 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.545 17.154 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.789 17.910 -1.507 1.00 0.00 H new ATOM 463 N ALA A 35 -0.184 15.239 -2.996 1.00 0.00 N ATOM 464 CA ALA A 35 -0.701 14.677 -4.232 1.00 0.00 C ATOM 465 C ALA A 35 -1.943 13.838 -3.925 1.00 0.00 C ATOM 466 O ALA A 35 -2.104 13.345 -2.810 1.00 0.00 O ATOM 467 CB ALA A 35 0.397 13.862 -4.920 1.00 0.00 C ATOM 0 H ALA A 35 0.296 14.572 -2.392 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.999 15.469 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.010 13.440 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.245 14.509 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.719 13.056 -4.261 1.00 0.00 H new ATOM 473 N PRO A 36 -2.813 13.700 -4.962 1.00 0.00 N ATOM 474 CA PRO A 36 -4.037 12.930 -4.814 1.00 0.00 C ATOM 475 C PRO A 36 -3.743 11.429 -4.815 1.00 0.00 C ATOM 476 O PRO A 36 -2.687 10.999 -5.276 1.00 0.00 O ATOM 477 CB PRO A 36 -4.917 13.364 -5.975 1.00 0.00 C ATOM 478 CG PRO A 36 -3.984 14.008 -6.987 1.00 0.00 C ATOM 479 CD PRO A 36 -2.655 14.271 -6.296 1.00 0.00 C ATOM 0 HA PRO A 36 -4.537 13.112 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.437 12.511 -6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.681 14.068 -5.644 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.844 13.353 -7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.410 14.939 -7.361 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.830 13.802 -6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.438 15.338 -6.247 1.00 0.00 H new ATOM 487 N GLY A 37 -4.696 10.672 -4.292 1.00 0.00 N ATOM 488 CA GLY A 37 -4.553 9.227 -4.226 1.00 0.00 C ATOM 489 C GLY A 37 -4.219 8.773 -2.804 1.00 0.00 C ATOM 490 O GLY A 37 -3.940 9.598 -1.935 1.00 0.00 O ATOM 0 H GLY A 37 -5.571 11.032 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.477 8.751 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.767 8.904 -4.909 1.00 0.00 H new ATOM 494 N LEU A 38 -4.258 7.463 -2.610 1.00 0.00 N ATOM 495 CA LEU A 38 -3.963 6.890 -1.308 1.00 0.00 C ATOM 496 C LEU A 38 -2.529 6.355 -1.305 1.00 0.00 C ATOM 497 O LEU A 38 -2.025 5.912 -2.335 1.00 0.00 O ATOM 498 CB LEU A 38 -5.011 5.840 -0.935 1.00 0.00 C ATOM 499 CG LEU A 38 -6.285 6.371 -0.273 1.00 0.00 C ATOM 500 CD1 LEU A 38 -5.995 6.893 1.135 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.958 7.429 -1.149 1.00 0.00 C ATOM 0 H LEU A 38 -4.490 6.782 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.021 7.654 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.293 5.299 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.549 5.117 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.987 5.543 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.917 7.264 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.594 6.085 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.267 7.702 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.861 7.790 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.272 8.262 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.221 6.991 -2.112 1.00 0.00 H new ATOM 513 N TYR A 39 -1.913 6.414 -0.133 1.00 0.00 N ATOM 514 CA TYR A 39 -0.547 5.941 0.018 1.00 0.00 C ATOM 515 C TYR A 39 -0.348 5.265 1.376 1.00 0.00 C ATOM 516 O TYR A 39 -0.988 5.637 2.358 1.00 0.00 O ATOM 517 CB TYR A 39 0.340 7.186 -0.053 1.00 0.00 C ATOM 518 CG TYR A 39 0.168 8.001 -1.336 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.976 8.749 -1.529 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.155 7.988 -2.300 1.00 0.00 C ATOM 521 CE1 TYR A 39 -1.138 9.517 -2.737 1.00 0.00 C ATOM 522 CE2 TYR A 39 0.992 8.755 -3.508 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.146 9.482 -3.666 1.00 0.00 C ATOM 524 OH TYR A 39 -0.300 10.206 -4.807 1.00 0.00 O ATOM 0 H TYR A 39 -2.334 6.782 0.720 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.306 5.211 -0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.121 7.825 0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.383 6.882 0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.749 8.758 -0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.050 7.403 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.027 10.107 -2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.756 8.753 -4.271 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.114 10.748 -4.743 1.00 0.00 H new ATOM 534 N ILE A 40 0.541 4.283 1.388 1.00 0.00 N ATOM 535 CA ILE A 40 0.832 3.551 2.609 1.00 0.00 C ATOM 536 C ILE A 40 1.606 4.456 3.569 1.00 0.00 C ATOM 537 O ILE A 40 2.608 5.059 3.187 1.00 0.00 O ATOM 538 CB ILE A 40 1.549 2.238 2.288 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.792 1.445 1.222 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.781 1.416 3.558 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.312 0.009 1.133 1.00 0.00 C ATOM 0 H ILE A 40 1.070 3.977 0.571 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.092 3.268 3.113 1.00 0.00 H new ATOM 0 HB ILE A 40 2.529 2.476 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.272 1.436 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.900 1.935 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.292 0.488 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.394 1.988 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.822 1.186 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.756 -0.532 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.370 0.021 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.180 -0.486 2.095 1.00 0.00 H new ATOM 553 N GLN A 41 1.112 4.524 4.796 1.00 0.00 N ATOM 554 CA GLN A 41 1.744 5.346 5.814 1.00 0.00 C ATOM 555 C GLN A 41 2.332 4.464 6.918 1.00 0.00 C ATOM 556 O GLN A 41 3.319 4.833 7.552 1.00 0.00 O ATOM 557 CB GLN A 41 0.756 6.361 6.391 1.00 0.00 C ATOM 558 CG GLN A 41 1.441 7.274 7.411 1.00 0.00 C ATOM 559 CD GLN A 41 1.422 8.730 6.943 1.00 0.00 C ATOM 560 OE1 GLN A 41 1.561 9.035 5.770 1.00 0.00 O ATOM 561 NE2 GLN A 41 1.242 9.611 7.924 1.00 0.00 N ATOM 0 H GLN A 41 0.280 4.023 5.109 1.00 0.00 H new ATOM 0 HA GLN A 41 2.557 5.904 5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.334 6.962 5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.074 5.837 6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.938 7.191 8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.471 6.950 7.561 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.132 9.288 8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.214 10.609 7.715 1.00 0.00 H new ATOM 570 N THR A 42 1.700 3.317 7.114 1.00 0.00 N ATOM 571 CA THR A 42 2.148 2.380 8.131 1.00 0.00 C ATOM 572 C THR A 42 1.713 0.957 7.774 1.00 0.00 C ATOM 573 O THR A 42 0.682 0.762 7.131 1.00 0.00 O ATOM 574 CB THR A 42 1.613 2.858 9.482 1.00 0.00 C ATOM 575 OG1 THR A 42 0.408 3.545 9.156 1.00 0.00 O ATOM 576 CG2 THR A 42 2.497 3.935 10.114 1.00 0.00 C ATOM 0 H THR A 42 0.881 3.015 6.586 1.00 0.00 H new ATOM 0 HA THR A 42 3.236 2.349 8.188 1.00 0.00 H new ATOM 0 HB THR A 42 1.533 2.009 10.161 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.006 3.887 9.976 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.072 4.239 11.071 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.499 3.537 10.272 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.550 4.798 9.450 1.00 0.00 H new ATOM 584 N LEU A 43 2.520 0.000 8.206 1.00 0.00 N ATOM 585 CA LEU A 43 2.231 -1.399 7.940 1.00 0.00 C ATOM 586 C LEU A 43 1.941 -2.116 9.261 1.00 0.00 C ATOM 587 O LEU A 43 2.647 -1.914 10.248 1.00 0.00 O ATOM 588 CB LEU A 43 3.363 -2.036 7.131 1.00 0.00 C ATOM 589 CG LEU A 43 3.036 -2.381 5.677 1.00 0.00 C ATOM 590 CD1 LEU A 43 1.888 -3.389 5.598 1.00 0.00 C ATOM 591 CD2 LEU A 43 2.747 -1.117 4.865 1.00 0.00 C ATOM 0 H LEU A 43 3.374 0.165 8.739 1.00 0.00 H new ATOM 0 HA LEU A 43 1.337 -1.492 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.216 -1.357 7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.677 -2.948 7.638 1.00 0.00 H new ATOM 0 HG LEU A 43 3.911 -2.855 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.675 -3.617 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.170 -4.304 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.999 -2.965 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.518 -1.391 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.896 -0.592 5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.621 -0.466 4.881 1.00 0.00 H new ATOM 603 N LEU A 44 0.902 -2.937 9.236 1.00 0.00 N ATOM 604 CA LEU A 44 0.510 -3.685 10.419 1.00 0.00 C ATOM 605 C LEU A 44 1.329 -4.975 10.496 1.00 0.00 C ATOM 606 O LEU A 44 1.535 -5.645 9.485 1.00 0.00 O ATOM 607 CB LEU A 44 -1.002 -3.914 10.430 1.00 0.00 C ATOM 608 CG LEU A 44 -1.656 -4.007 11.811 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.978 -3.239 11.844 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.829 -5.466 12.238 1.00 0.00 C ATOM 0 H LEU A 44 0.319 -3.101 8.415 1.00 0.00 H new ATOM 0 HA LEU A 44 0.729 -3.114 11.321 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.477 -3.102 9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.214 -4.835 9.887 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.992 -3.536 12.536 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.422 -3.321 12.836 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.795 -2.189 11.614 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.661 -3.658 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.296 -5.504 13.222 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.461 -5.984 11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.854 -5.951 12.280 1.00 0.00 H new ATOM 622 N PRO A 45 1.785 -5.293 11.737 1.00 0.00 N ATOM 623 CA PRO A 45 2.577 -6.491 11.959 1.00 0.00 C ATOM 624 C PRO A 45 1.698 -7.743 11.924 1.00 0.00 C ATOM 625 O PRO A 45 0.513 -7.683 12.247 1.00 0.00 O ATOM 626 CB PRO A 45 3.248 -6.274 13.305 1.00 0.00 C ATOM 627 CG PRO A 45 2.451 -5.181 13.998 1.00 0.00 C ATOM 628 CD PRO A 45 1.561 -4.523 12.957 1.00 0.00 C ATOM 0 HA PRO A 45 3.321 -6.655 11.179 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.247 -7.191 13.894 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.289 -5.978 13.179 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.850 -5.600 14.805 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.120 -4.447 14.447 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.513 -4.552 13.257 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.824 -3.474 12.817 1.00 0.00 H new ATOM 636 N GLY A 46 2.313 -8.848 11.528 1.00 0.00 N ATOM 637 CA GLY A 46 1.601 -10.112 11.446 1.00 0.00 C ATOM 638 C GLY A 46 0.400 -10.005 10.505 1.00 0.00 C ATOM 639 O GLY A 46 -0.486 -10.859 10.524 1.00 0.00 O ATOM 0 H GLY A 46 3.296 -8.894 11.261 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.276 -10.891 11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.264 -10.409 12.439 1.00 0.00 H new ATOM 643 N SER A 47 0.408 -8.949 9.705 1.00 0.00 N ATOM 644 CA SER A 47 -0.670 -8.720 8.758 1.00 0.00 C ATOM 645 C SER A 47 -0.270 -9.236 7.374 1.00 0.00 C ATOM 646 O SER A 47 0.900 -9.526 7.130 1.00 0.00 O ATOM 647 CB SER A 47 -1.034 -7.235 8.686 1.00 0.00 C ATOM 648 OG SER A 47 -0.352 -6.569 7.627 1.00 0.00 O ATOM 0 H SER A 47 1.144 -8.243 9.693 1.00 0.00 H new ATOM 0 HA SER A 47 -1.549 -9.266 9.102 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.110 -7.132 8.546 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.789 -6.755 9.633 1.00 0.00 H new ATOM 0 HG SER A 47 -0.993 -6.041 7.107 1.00 0.00 H new ATOM 654 N PRO A 48 -1.291 -9.337 6.481 1.00 0.00 N ATOM 655 CA PRO A 48 -1.058 -9.812 5.128 1.00 0.00 C ATOM 656 C PRO A 48 -0.376 -8.738 4.279 1.00 0.00 C ATOM 657 O PRO A 48 0.461 -9.049 3.433 1.00 0.00 O ATOM 658 CB PRO A 48 -2.431 -10.199 4.605 1.00 0.00 C ATOM 659 CG PRO A 48 -3.434 -9.496 5.506 1.00 0.00 C ATOM 660 CD PRO A 48 -2.689 -9.002 6.735 1.00 0.00 C ATOM 0 HA PRO A 48 -0.378 -10.663 5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.555 -9.890 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.570 -11.280 4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.900 -8.662 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.234 -10.179 5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.820 -7.929 6.873 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.054 -9.487 7.641 1.00 0.00 H new ATOM 668 N ALA A 49 -0.759 -7.495 4.535 1.00 0.00 N ATOM 669 CA ALA A 49 -0.194 -6.373 3.804 1.00 0.00 C ATOM 670 C ALA A 49 1.326 -6.370 3.978 1.00 0.00 C ATOM 671 O ALA A 49 2.066 -6.511 3.006 1.00 0.00 O ATOM 672 CB ALA A 49 -0.840 -5.073 4.288 1.00 0.00 C ATOM 0 H ALA A 49 -1.453 -7.241 5.238 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.403 -6.464 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.417 -4.231 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.915 -5.115 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.648 -4.946 5.353 1.00 0.00 H new ATOM 678 N ALA A 50 1.746 -6.207 5.224 1.00 0.00 N ATOM 679 CA ALA A 50 3.165 -6.183 5.538 1.00 0.00 C ATOM 680 C ALA A 50 3.806 -7.495 5.081 1.00 0.00 C ATOM 681 O ALA A 50 4.853 -7.487 4.435 1.00 0.00 O ATOM 682 CB ALA A 50 3.353 -5.933 7.036 1.00 0.00 C ATOM 0 H ALA A 50 1.129 -6.090 6.028 1.00 0.00 H new ATOM 0 HA ALA A 50 3.662 -5.371 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.417 -5.915 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.906 -4.976 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.870 -6.730 7.601 1.00 0.00 H new ATOM 688 N ALA A 51 3.151 -8.591 5.435 1.00 0.00 N ATOM 689 CA ALA A 51 3.644 -9.908 5.069 1.00 0.00 C ATOM 690 C ALA A 51 4.092 -9.893 3.606 1.00 0.00 C ATOM 691 O ALA A 51 5.169 -10.386 3.278 1.00 0.00 O ATOM 692 CB ALA A 51 2.557 -10.952 5.335 1.00 0.00 C ATOM 0 H ALA A 51 2.283 -8.594 5.971 1.00 0.00 H new ATOM 0 HA ALA A 51 4.509 -10.176 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.927 -11.940 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.295 -10.943 6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.674 -10.717 4.741 1.00 0.00 H new ATOM 698 N ASP A 52 3.241 -9.320 2.766 1.00 0.00 N ATOM 699 CA ASP A 52 3.536 -9.234 1.346 1.00 0.00 C ATOM 700 C ASP A 52 4.971 -8.738 1.157 1.00 0.00 C ATOM 701 O ASP A 52 5.689 -9.223 0.284 1.00 0.00 O ATOM 702 CB ASP A 52 2.598 -8.247 0.648 1.00 0.00 C ATOM 703 CG ASP A 52 2.736 -8.190 -0.874 1.00 0.00 C ATOM 704 OD1 ASP A 52 2.147 -9.076 -1.531 1.00 0.00 O ATOM 705 OD2 ASP A 52 3.428 -7.263 -1.348 1.00 0.00 O ATOM 0 H ASP A 52 2.348 -8.911 3.042 1.00 0.00 H new ATOM 0 HA ASP A 52 3.403 -10.225 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.569 -8.510 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.778 -7.251 1.052 1.00 0.00 H new ATOM 710 N GLY A 53 5.346 -7.778 1.989 1.00 0.00 N ATOM 711 CA GLY A 53 6.682 -7.210 1.924 1.00 0.00 C ATOM 712 C GLY A 53 6.738 -6.051 0.928 1.00 0.00 C ATOM 713 O GLY A 53 7.136 -4.942 1.281 1.00 0.00 O ATOM 0 H GLY A 53 4.748 -7.379 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.980 -6.860 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.395 -7.981 1.631 1.00 0.00 H new ATOM 717 N ARG A 54 6.332 -6.347 -0.299 1.00 0.00 N ATOM 718 CA ARG A 54 6.331 -5.343 -1.349 1.00 0.00 C ATOM 719 C ARG A 54 5.697 -4.045 -0.842 1.00 0.00 C ATOM 720 O ARG A 54 6.187 -2.956 -1.135 1.00 0.00 O ATOM 721 CB ARG A 54 5.562 -5.832 -2.578 1.00 0.00 C ATOM 722 CG ARG A 54 6.239 -5.368 -3.869 1.00 0.00 C ATOM 723 CD ARG A 54 6.476 -3.856 -3.851 1.00 0.00 C ATOM 724 NE ARG A 54 7.061 -3.420 -5.139 1.00 0.00 N ATOM 725 CZ ARG A 54 8.350 -3.576 -5.469 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.196 -4.158 -4.609 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.793 -3.150 -6.660 1.00 0.00 N ATOM 0 H ARG A 54 6.002 -7.268 -0.589 1.00 0.00 H new ATOM 0 HA ARG A 54 7.367 -5.159 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.503 -6.920 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.539 -5.457 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.189 -5.887 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.618 -5.632 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.535 -3.334 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.145 -3.594 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 54 6.444 -2.973 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.859 -4.483 -3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.177 -4.277 -4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.149 -2.707 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.774 -3.269 -6.911 1.00 0.00 H new ATOM 741 N LEU A 55 4.618 -4.206 -0.091 1.00 0.00 N ATOM 742 CA LEU A 55 3.912 -3.061 0.459 1.00 0.00 C ATOM 743 C LEU A 55 4.807 -2.360 1.483 1.00 0.00 C ATOM 744 O LEU A 55 4.988 -2.853 2.595 1.00 0.00 O ATOM 745 CB LEU A 55 2.554 -3.487 1.018 1.00 0.00 C ATOM 746 CG LEU A 55 1.384 -3.463 0.032 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.870 -3.702 -1.399 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.299 -4.460 0.443 1.00 0.00 C ATOM 0 H LEU A 55 4.215 -5.112 0.150 1.00 0.00 H new ATOM 0 HA LEU A 55 3.694 -2.335 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.648 -4.498 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.309 -2.836 1.858 1.00 0.00 H new ATOM 0 HG LEU A 55 0.935 -2.470 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.020 -3.680 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.578 -2.922 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.359 -4.674 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.520 -4.422 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.718 -5.466 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.075 -4.203 1.434 1.00 0.00 H new ATOM 760 N SER A 56 5.343 -1.220 1.071 1.00 0.00 N ATOM 761 CA SER A 56 6.214 -0.446 1.939 1.00 0.00 C ATOM 762 C SER A 56 5.706 0.994 2.041 1.00 0.00 C ATOM 763 O SER A 56 5.208 1.550 1.065 1.00 0.00 O ATOM 764 CB SER A 56 7.657 -0.465 1.430 1.00 0.00 C ATOM 765 OG SER A 56 7.990 -1.707 0.817 1.00 0.00 O ATOM 0 H SER A 56 5.191 -0.814 0.148 1.00 0.00 H new ATOM 0 HA SER A 56 6.201 -0.900 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.799 0.343 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.337 -0.277 2.261 1.00 0.00 H new ATOM 0 HG SER A 56 8.918 -1.679 0.504 1.00 0.00 H new ATOM 771 N LEU A 57 5.851 1.555 3.233 1.00 0.00 N ATOM 772 CA LEU A 57 5.413 2.919 3.475 1.00 0.00 C ATOM 773 C LEU A 57 5.856 3.807 2.310 1.00 0.00 C ATOM 774 O LEU A 57 6.983 3.692 1.831 1.00 0.00 O ATOM 775 CB LEU A 57 5.904 3.405 4.840 1.00 0.00 C ATOM 776 CG LEU A 57 5.209 2.795 6.059 1.00 0.00 C ATOM 777 CD1 LEU A 57 4.788 1.350 5.784 1.00 0.00 C ATOM 778 CD2 LEU A 57 6.089 2.908 7.306 1.00 0.00 C ATOM 0 H LEU A 57 6.265 1.090 4.041 1.00 0.00 H new ATOM 0 HA LEU A 57 4.325 2.968 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.972 3.199 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.785 4.488 4.883 1.00 0.00 H new ATOM 0 HG LEU A 57 4.300 3.364 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.297 0.940 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.098 1.326 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.669 0.753 5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.571 2.467 8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.027 2.379 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.296 3.958 7.511 1.00 0.00 H new ATOM 790 N GLY A 58 4.946 4.673 1.889 1.00 0.00 N ATOM 791 CA GLY A 58 5.229 5.580 0.789 1.00 0.00 C ATOM 792 C GLY A 58 4.534 5.120 -0.494 1.00 0.00 C ATOM 793 O GLY A 58 4.265 5.927 -1.382 1.00 0.00 O ATOM 0 H GLY A 58 4.012 4.766 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.896 6.585 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.305 5.633 0.625 1.00 0.00 H new ATOM 797 N ASP A 59 4.263 3.824 -0.550 1.00 0.00 N ATOM 798 CA ASP A 59 3.604 3.247 -1.710 1.00 0.00 C ATOM 799 C ASP A 59 2.314 4.018 -1.994 1.00 0.00 C ATOM 800 O ASP A 59 1.727 4.608 -1.088 1.00 0.00 O ATOM 801 CB ASP A 59 3.236 1.783 -1.462 1.00 0.00 C ATOM 802 CG ASP A 59 4.388 0.790 -1.622 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.540 1.215 -1.389 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.091 -0.372 -1.974 1.00 0.00 O ATOM 0 H ASP A 59 4.488 3.157 0.189 1.00 0.00 H new ATOM 0 HA ASP A 59 4.291 3.308 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.835 1.691 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.437 1.504 -2.149 1.00 0.00 H new ATOM 809 N ARG A 60 1.910 3.989 -3.256 1.00 0.00 N ATOM 810 CA ARG A 60 0.700 4.678 -3.670 1.00 0.00 C ATOM 811 C ARG A 60 -0.255 3.703 -4.362 1.00 0.00 C ATOM 812 O ARG A 60 0.109 3.068 -5.351 1.00 0.00 O ATOM 813 CB ARG A 60 1.022 5.829 -4.625 1.00 0.00 C ATOM 814 CG ARG A 60 -0.258 6.524 -5.097 1.00 0.00 C ATOM 815 CD ARG A 60 -0.024 7.267 -6.414 1.00 0.00 C ATOM 816 NE ARG A 60 -1.071 8.295 -6.607 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.106 9.147 -7.641 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.152 9.099 -8.580 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.095 10.046 -7.735 1.00 0.00 N ATOM 0 H ARG A 60 2.399 3.499 -4.005 1.00 0.00 H new ATOM 0 HA ARG A 60 0.226 5.084 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.669 6.550 -4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.573 5.449 -5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.050 5.786 -5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.598 7.225 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.960 7.735 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.036 6.563 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.812 8.359 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.601 8.414 -8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.178 9.747 -9.367 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.821 10.082 -7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.122 10.694 -8.522 1.00 0.00 H new ATOM 833 N ILE A 61 -1.458 3.615 -3.814 1.00 0.00 N ATOM 834 CA ILE A 61 -2.468 2.728 -4.366 1.00 0.00 C ATOM 835 C ILE A 61 -3.108 3.389 -5.589 1.00 0.00 C ATOM 836 O ILE A 61 -3.168 4.614 -5.676 1.00 0.00 O ATOM 837 CB ILE A 61 -3.476 2.326 -3.287 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.765 1.965 -1.981 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.383 1.195 -3.777 1.00 0.00 C ATOM 840 CD1 ILE A 61 -1.956 0.676 -2.135 1.00 0.00 C ATOM 0 H ILE A 61 -1.756 4.143 -2.994 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.013 1.798 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.115 3.184 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.104 2.780 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.499 1.845 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.090 0.929 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.930 1.524 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.776 0.325 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.461 0.442 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.623 -0.142 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.207 0.808 -2.916 1.00 0.00 H new ATOM 852 N LEU A 62 -3.569 2.547 -6.503 1.00 0.00 N ATOM 853 CA LEU A 62 -4.202 3.034 -7.716 1.00 0.00 C ATOM 854 C LEU A 62 -5.608 2.440 -7.828 1.00 0.00 C ATOM 855 O LEU A 62 -6.569 3.156 -8.104 1.00 0.00 O ATOM 856 CB LEU A 62 -3.317 2.753 -8.932 1.00 0.00 C ATOM 857 CG LEU A 62 -1.869 3.235 -8.833 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.080 2.861 -10.090 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.809 4.736 -8.544 1.00 0.00 C ATOM 0 H LEU A 62 -3.516 1.531 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.316 4.117 -7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.310 1.678 -9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.775 3.218 -9.805 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.396 2.727 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.054 3.215 -9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.080 1.778 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.543 3.323 -10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.768 5.053 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.304 5.281 -9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.312 4.945 -7.600 1.00 0.00 H new ATOM 871 N GLU A 63 -5.683 1.135 -7.607 1.00 0.00 N ATOM 872 CA GLU A 63 -6.955 0.436 -7.679 1.00 0.00 C ATOM 873 C GLU A 63 -7.141 -0.455 -6.450 1.00 0.00 C ATOM 874 O GLU A 63 -6.169 -0.818 -5.789 1.00 0.00 O ATOM 875 CB GLU A 63 -7.059 -0.380 -8.969 1.00 0.00 C ATOM 876 CG GLU A 63 -7.157 0.535 -10.191 1.00 0.00 C ATOM 877 CD GLU A 63 -7.124 -0.276 -11.488 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.403 -1.492 -11.404 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.822 0.337 -12.534 1.00 0.00 O ATOM 0 H GLU A 63 -4.884 0.544 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.755 1.177 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.188 -1.028 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.935 -1.028 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.079 1.114 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.333 1.248 -10.183 1.00 0.00 H new ATOM 886 N VAL A 64 -8.397 -0.780 -6.179 1.00 0.00 N ATOM 887 CA VAL A 64 -8.723 -1.622 -5.041 1.00 0.00 C ATOM 888 C VAL A 64 -9.849 -2.582 -5.428 1.00 0.00 C ATOM 889 O VAL A 64 -10.985 -2.161 -5.636 1.00 0.00 O ATOM 890 CB VAL A 64 -9.068 -0.753 -3.830 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.040 -1.476 -2.895 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.803 -0.327 -3.082 1.00 0.00 C ATOM 0 H VAL A 64 -9.201 -0.475 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.863 -2.228 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.561 0.148 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.269 -0.836 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.960 -1.706 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.585 -2.402 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.077 0.290 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.269 -1.212 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.160 0.246 -3.751 1.00 0.00 H new ATOM 902 N ASN A 65 -9.494 -3.856 -5.513 1.00 0.00 N ATOM 903 CA ASN A 65 -10.460 -4.880 -5.872 1.00 0.00 C ATOM 904 C ASN A 65 -10.950 -4.635 -7.300 1.00 0.00 C ATOM 905 O ASN A 65 -11.936 -5.229 -7.733 1.00 0.00 O ATOM 906 CB ASN A 65 -11.675 -4.840 -4.942 1.00 0.00 C ATOM 907 CG ASN A 65 -11.601 -5.953 -3.895 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.112 -7.043 -4.143 1.00 0.00 O ATOM 909 ND2 ASN A 65 -12.111 -5.618 -2.713 1.00 0.00 N ATOM 0 H ASN A 65 -8.550 -4.202 -5.339 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.971 -5.850 -5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.725 -3.871 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.589 -4.946 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.108 -6.291 -1.947 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.505 -4.688 -2.573 1.00 0.00 H new ATOM 916 N GLY A 66 -10.238 -3.759 -7.994 1.00 0.00 N ATOM 917 CA GLY A 66 -10.588 -3.428 -9.365 1.00 0.00 C ATOM 918 C GLY A 66 -11.487 -2.192 -9.418 1.00 0.00 C ATOM 919 O GLY A 66 -12.401 -2.119 -10.239 1.00 0.00 O ATOM 0 H GLY A 66 -9.420 -3.268 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.681 -3.247 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.098 -4.273 -9.828 1.00 0.00 H new ATOM 923 N SER A 67 -11.198 -1.250 -8.533 1.00 0.00 N ATOM 924 CA SER A 67 -11.969 -0.020 -8.468 1.00 0.00 C ATOM 925 C SER A 67 -11.037 1.188 -8.572 1.00 0.00 C ATOM 926 O SER A 67 -10.246 1.446 -7.666 1.00 0.00 O ATOM 927 CB SER A 67 -12.787 0.050 -7.178 1.00 0.00 C ATOM 928 OG SER A 67 -14.172 0.268 -7.435 1.00 0.00 O ATOM 0 H SER A 67 -10.440 -1.314 -7.854 1.00 0.00 H new ATOM 0 HA SER A 67 -12.664 -0.008 -9.308 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.664 -0.878 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.404 0.854 -6.549 1.00 0.00 H new ATOM 0 HG SER A 67 -14.660 0.305 -6.586 1.00 0.00 H new ATOM 934 N SER A 68 -11.160 1.897 -9.685 1.00 0.00 N ATOM 935 CA SER A 68 -10.338 3.072 -9.919 1.00 0.00 C ATOM 936 C SER A 68 -10.426 4.019 -8.720 1.00 0.00 C ATOM 937 O SER A 68 -11.502 4.523 -8.400 1.00 0.00 O ATOM 938 CB SER A 68 -10.763 3.795 -11.199 1.00 0.00 C ATOM 939 OG SER A 68 -12.099 4.283 -11.118 1.00 0.00 O ATOM 0 H SER A 68 -11.817 1.680 -10.435 1.00 0.00 H new ATOM 0 HA SER A 68 -9.305 2.748 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.084 4.627 -11.388 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.676 3.114 -12.046 1.00 0.00 H new ATOM 0 HG SER A 68 -12.298 4.540 -10.193 1.00 0.00 H new ATOM 945 N LEU A 69 -9.281 4.233 -8.090 1.00 0.00 N ATOM 946 CA LEU A 69 -9.215 5.110 -6.934 1.00 0.00 C ATOM 947 C LEU A 69 -8.835 6.520 -7.390 1.00 0.00 C ATOM 948 O LEU A 69 -8.178 7.258 -6.657 1.00 0.00 O ATOM 949 CB LEU A 69 -8.273 4.532 -5.875 1.00 0.00 C ATOM 950 CG LEU A 69 -8.760 4.617 -4.427 1.00 0.00 C ATOM 951 CD1 LEU A 69 -8.612 6.038 -3.881 1.00 0.00 C ATOM 952 CD2 LEU A 69 -10.194 4.100 -4.299 1.00 0.00 C ATOM 0 H LEU A 69 -8.391 3.814 -8.358 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.191 5.181 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.088 3.485 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.316 5.049 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.129 3.971 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.965 6.070 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.563 6.333 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.202 6.724 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.515 4.172 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.854 4.700 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.236 3.059 -4.621 1.00 0.00 H new ATOM 964 N LEU A 70 -9.264 6.852 -8.599 1.00 0.00 N ATOM 965 CA LEU A 70 -8.978 8.161 -9.161 1.00 0.00 C ATOM 966 C LEU A 70 -10.150 9.102 -8.877 1.00 0.00 C ATOM 967 O LEU A 70 -11.164 9.064 -9.572 1.00 0.00 O ATOM 968 CB LEU A 70 -8.632 8.041 -10.647 1.00 0.00 C ATOM 969 CG LEU A 70 -7.296 7.371 -10.973 1.00 0.00 C ATOM 970 CD1 LEU A 70 -7.232 6.962 -12.446 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.121 8.268 -10.576 1.00 0.00 C ATOM 0 H LEU A 70 -9.807 6.237 -9.205 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.099 8.595 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.426 7.481 -11.140 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.630 9.041 -11.081 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.219 6.458 -10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.272 6.488 -12.651 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.037 6.260 -12.664 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.342 7.846 -13.074 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.183 7.768 -10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.182 9.210 -11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.160 8.466 -9.505 1.00 0.00 H new ATOM 983 N GLY A 71 -9.972 9.924 -7.853 1.00 0.00 N ATOM 984 CA GLY A 71 -11.003 10.873 -7.467 1.00 0.00 C ATOM 985 C GLY A 71 -11.674 10.452 -6.158 1.00 0.00 C ATOM 986 O GLY A 71 -12.092 11.300 -5.371 1.00 0.00 O ATOM 0 H GLY A 71 -9.129 9.953 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.565 11.865 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.751 10.944 -8.257 1.00 0.00 H new ATOM 990 N LEU A 72 -11.756 9.144 -5.966 1.00 0.00 N ATOM 991 CA LEU A 72 -12.369 8.601 -4.766 1.00 0.00 C ATOM 992 C LEU A 72 -11.742 9.258 -3.536 1.00 0.00 C ATOM 993 O LEU A 72 -10.520 9.269 -3.388 1.00 0.00 O ATOM 994 CB LEU A 72 -12.277 7.074 -4.762 1.00 0.00 C ATOM 995 CG LEU A 72 -13.369 6.333 -5.537 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.248 4.820 -5.343 1.00 0.00 C ATOM 997 CD2 LEU A 72 -14.758 6.851 -5.157 1.00 0.00 C ATOM 0 H LEU A 72 -11.408 8.444 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.434 8.833 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.309 6.787 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.298 6.731 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.230 6.533 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.036 4.317 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.275 4.484 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.347 4.580 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.516 6.308 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.923 6.700 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.826 7.914 -5.388 1.00 0.00 H new ATOM 1009 N GLY A 73 -12.605 9.791 -2.684 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.151 10.449 -1.471 1.00 0.00 C ATOM 1011 C GLY A 73 -11.398 9.472 -0.566 1.00 0.00 C ATOM 1012 O GLY A 73 -10.956 8.416 -1.018 1.00 0.00 O ATOM 0 H GLY A 73 -13.617 9.781 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.502 11.286 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.006 10.862 -0.935 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.275 9.858 0.696 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.583 9.029 1.668 1.00 0.00 C ATOM 1018 C TYR A 74 -11.554 8.074 2.366 1.00 0.00 C ATOM 1019 O TYR A 74 -11.188 6.952 2.709 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.000 9.991 2.704 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.445 9.301 3.952 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -8.131 8.879 3.980 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -10.257 9.101 5.049 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -7.608 8.230 5.154 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -9.735 8.451 6.223 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.436 8.048 6.218 1.00 0.00 C ATOM 1027 OH TYR A 74 -7.942 7.434 7.327 1.00 0.00 O ATOM 0 H TYR A 74 -11.643 10.734 1.067 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.818 8.425 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.204 10.571 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.774 10.697 3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.495 9.036 3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.285 9.432 5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.582 7.895 5.189 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.361 8.287 7.088 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.645 7.373 8.007 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.774 8.556 2.554 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.801 7.760 3.204 1.00 0.00 C ATOM 1039 C LEU A 75 -14.368 6.751 2.204 1.00 0.00 C ATOM 1040 O LEU A 75 -14.918 5.724 2.597 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.862 8.666 3.833 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.589 9.122 5.268 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -15.672 10.089 5.751 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.433 7.923 6.205 1.00 0.00 C ATOM 0 H LEU A 75 -13.074 9.488 2.267 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.375 7.187 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.973 9.551 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.817 8.141 3.815 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.644 9.664 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.454 10.398 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.692 10.966 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.642 9.593 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.240 8.276 7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.349 7.332 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.599 7.306 5.870 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.215 7.080 0.929 1.00 0.00 N ATOM 1057 CA ARG A 76 -14.706 6.216 -0.131 1.00 0.00 C ATOM 1058 C ARG A 76 -13.691 5.109 -0.425 1.00 0.00 C ATOM 1059 O ARG A 76 -14.062 3.948 -0.586 1.00 0.00 O ATOM 1060 CB ARG A 76 -14.970 7.010 -1.412 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.451 7.371 -1.537 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.267 6.177 -2.036 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.712 6.482 -1.955 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.458 6.302 -0.857 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -18.899 5.818 0.261 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -20.763 6.607 -0.875 1.00 0.00 N ATOM 0 H ARG A 76 -13.758 7.933 0.607 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.643 5.775 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.369 7.919 -1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.660 6.424 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -16.832 7.697 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.568 8.209 -2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.993 5.944 -3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.039 5.295 -1.438 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.169 6.853 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.906 5.587 0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.467 5.681 1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.189 6.976 -1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.330 6.470 -0.039 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.429 5.508 -0.487 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.358 4.565 -0.759 1.00 0.00 C ATOM 1082 C ALA A 77 -11.203 3.618 0.433 1.00 0.00 C ATOM 1083 O ALA A 77 -11.062 2.409 0.255 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.069 5.330 -1.066 1.00 0.00 C ATOM 0 H ALA A 77 -12.124 6.472 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.594 3.959 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.266 4.622 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.222 5.966 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.800 5.948 -0.209 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.235 4.203 1.621 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.101 3.426 2.842 1.00 0.00 C ATOM 1092 C VAL A 78 -12.249 2.419 2.929 1.00 0.00 C ATOM 1093 O VAL A 78 -12.030 1.248 3.239 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.032 4.360 4.052 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -12.393 5.004 4.326 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.516 3.620 5.287 1.00 0.00 C ATOM 0 H VAL A 78 -11.352 5.206 1.764 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.171 2.858 2.833 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.325 5.157 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.316 5.663 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.704 5.582 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.130 4.226 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.477 4.307 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.186 2.793 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.517 3.232 5.088 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.447 2.910 2.650 1.00 0.00 N ATOM 1107 CA ASP A 79 -14.630 2.067 2.693 1.00 0.00 C ATOM 1108 C ASP A 79 -14.442 0.883 1.742 1.00 0.00 C ATOM 1109 O ASP A 79 -14.775 -0.251 2.084 1.00 0.00 O ATOM 1110 CB ASP A 79 -15.873 2.838 2.248 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.179 2.042 2.290 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.351 1.186 1.395 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -17.975 2.306 3.216 1.00 0.00 O ATOM 0 H ASP A 79 -13.624 3.881 2.393 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.765 1.728 3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.982 3.719 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.715 3.195 1.230 1.00 0.00 H new ATOM 1118 N LEU A 80 -13.909 1.187 0.568 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.673 0.162 -0.435 1.00 0.00 C ATOM 1120 C LEU A 80 -12.885 -0.989 0.194 1.00 0.00 C ATOM 1121 O LEU A 80 -13.345 -2.129 0.202 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.000 0.766 -1.669 1.00 0.00 C ATOM 1123 CG LEU A 80 -13.929 1.463 -2.665 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.126 2.192 -3.745 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -14.931 0.475 -3.265 1.00 0.00 C ATOM 0 H LEU A 80 -13.634 2.129 0.289 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.618 -0.253 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.252 1.485 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.467 -0.028 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.504 2.216 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.810 2.679 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.487 2.942 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.509 1.475 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.579 0.997 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.393 -0.318 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.536 0.041 -2.469 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.711 -0.649 0.707 1.00 0.00 N ATOM 1138 CA ILE A 81 -10.855 -1.640 1.337 1.00 0.00 C ATOM 1139 C ILE A 81 -11.537 -2.168 2.600 1.00 0.00 C ATOM 1140 O ILE A 81 -11.618 -3.378 2.807 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.461 -1.063 1.586 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.688 -0.909 0.275 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -8.694 -1.904 2.609 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.625 0.557 -0.156 1.00 0.00 C ATOM 0 H ILE A 81 -11.333 0.298 0.699 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.708 -2.493 0.674 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.576 -0.066 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.678 -1.300 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.167 -1.501 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.706 -1.472 2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.240 -1.917 3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.589 -2.923 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.070 0.638 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.636 0.938 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.124 1.142 0.615 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.011 -1.235 3.413 1.00 0.00 N ATOM 1157 CA ARG A 82 -12.683 -1.591 4.650 1.00 0.00 C ATOM 1158 C ARG A 82 -13.769 -2.635 4.383 1.00 0.00 C ATOM 1159 O ARG A 82 -13.787 -3.692 5.013 1.00 0.00 O ATOM 1160 CB ARG A 82 -13.318 -0.362 5.306 1.00 0.00 C ATOM 1161 CG ARG A 82 -14.586 -0.743 6.072 1.00 0.00 C ATOM 1162 CD ARG A 82 -14.864 0.251 7.201 1.00 0.00 C ATOM 1163 NE ARG A 82 -15.230 -0.475 8.437 1.00 0.00 N ATOM 1164 CZ ARG A 82 -15.449 0.116 9.619 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -15.341 1.447 9.733 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -15.777 -0.623 10.688 1.00 0.00 N ATOM 0 H ARG A 82 -11.943 -0.232 3.238 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.935 -2.004 5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.603 0.102 5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.558 0.378 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.434 -0.769 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.478 -1.746 6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.983 0.867 7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.671 0.925 6.913 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.321 -1.490 8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.092 2.010 8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.508 1.897 10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.860 -1.636 10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -15.944 -0.172 11.588 1.00 0.00 H new ATOM 1180 N HIS A 83 -14.647 -2.304 3.449 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.733 -3.200 3.091 1.00 0.00 C ATOM 1182 C HIS A 83 -15.299 -4.094 1.928 1.00 0.00 C ATOM 1183 O HIS A 83 -16.105 -4.426 1.060 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.010 -2.413 2.789 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.713 -1.888 4.017 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -18.259 -0.618 4.083 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -17.954 -2.474 5.225 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -18.801 -0.457 5.282 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -18.610 -1.609 5.988 1.00 0.00 N ATOM 0 H HIS A 83 -14.629 -1.427 2.929 1.00 0.00 H new ATOM 0 HA HIS A 83 -15.966 -3.849 3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -16.762 -1.574 2.138 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.697 -3.053 2.236 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -17.661 -3.473 5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -19.305 0.430 5.637 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -18.920 -1.777 6.945 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.025 -4.458 1.947 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.473 -5.307 0.905 1.00 0.00 C ATOM 1199 C GLY A 84 -14.046 -6.723 0.990 1.00 0.00 C ATOM 1200 O GLY A 84 -15.231 -6.901 1.271 1.00 0.00 O ATOM 0 H GLY A 84 -13.359 -4.180 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.695 -4.879 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.388 -5.344 0.998 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.180 -7.694 0.743 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.585 -9.088 0.788 1.00 0.00 C ATOM 1206 C GLY A 85 -12.392 -9.997 1.092 1.00 0.00 C ATOM 1207 O GLY A 85 -11.260 -9.528 1.191 1.00 0.00 O ATOM 0 H GLY A 85 -12.198 -7.543 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.353 -9.223 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.029 -9.372 -0.166 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.688 -11.281 1.233 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.654 -12.259 1.524 1.00 0.00 C ATOM 1213 C LYS A 86 -10.450 -12.009 0.613 1.00 0.00 C ATOM 1214 O LYS A 86 -9.305 -12.151 1.039 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.216 -13.679 1.425 1.00 0.00 C ATOM 1216 CG LYS A 86 -13.179 -13.969 2.577 1.00 0.00 C ATOM 1217 CD LYS A 86 -13.870 -15.321 2.388 1.00 0.00 C ATOM 1218 CE LYS A 86 -15.372 -15.212 2.656 1.00 0.00 C ATOM 1219 NZ LYS A 86 -15.724 -15.896 3.921 1.00 0.00 N ATOM 0 H LYS A 86 -13.629 -11.666 1.151 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.305 -12.150 2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.733 -13.804 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.398 -14.399 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.634 -13.964 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.928 -13.179 2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.703 -15.680 1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.429 -16.056 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.663 -14.163 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.928 -15.655 1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.747 -15.812 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.465 -16.901 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.208 -15.456 4.709 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.751 -11.642 -0.624 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.708 -11.371 -1.599 1.00 0.00 C ATOM 1235 C LYS A 87 -9.653 -9.867 -1.876 1.00 0.00 C ATOM 1236 O LYS A 87 -10.613 -9.290 -2.382 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.914 -12.220 -2.854 1.00 0.00 C ATOM 1238 CG LYS A 87 -9.060 -13.489 -2.805 1.00 0.00 C ATOM 1239 CD LYS A 87 -9.459 -14.462 -3.916 1.00 0.00 C ATOM 1240 CE LYS A 87 -10.511 -15.457 -3.421 1.00 0.00 C ATOM 1241 NZ LYS A 87 -11.159 -16.137 -4.565 1.00 0.00 N ATOM 0 H LYS A 87 -11.702 -11.526 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.734 -11.659 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.966 -12.489 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.655 -11.637 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.007 -13.227 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.176 -13.972 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.851 -13.906 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.579 -15.002 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.044 -16.195 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.262 -14.936 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.870 -16.809 -4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.621 -15.431 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.441 -16.650 -5.116 1.00 0.00 H new ATOM 1255 N MET A 88 -8.518 -9.276 -1.531 1.00 0.00 N ATOM 1256 CA MET A 88 -8.325 -7.850 -1.736 1.00 0.00 C ATOM 1257 C MET A 88 -7.175 -7.587 -2.710 1.00 0.00 C ATOM 1258 O MET A 88 -6.038 -7.982 -2.454 1.00 0.00 O ATOM 1259 CB MET A 88 -8.024 -7.178 -0.395 1.00 0.00 C ATOM 1260 CG MET A 88 -9.241 -7.228 0.530 1.00 0.00 C ATOM 1261 SD MET A 88 -9.668 -5.580 1.066 1.00 0.00 S ATOM 1262 CE MET A 88 -9.901 -4.789 -0.517 1.00 0.00 C ATOM 0 H MET A 88 -7.723 -9.758 -1.111 1.00 0.00 H new ATOM 0 HA MET A 88 -9.239 -7.436 -2.163 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.179 -7.674 0.083 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.732 -6.141 -0.561 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.085 -7.680 0.010 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.026 -7.856 1.394 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.213 -3.948 -0.608 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.705 -5.506 -1.314 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.927 -4.429 -0.596 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.510 -6.922 -3.805 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.519 -6.602 -4.819 1.00 0.00 C ATOM 1274 C ARG A 89 -6.224 -5.101 -4.816 1.00 0.00 C ATOM 1275 O ARG A 89 -7.143 -4.284 -4.780 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.999 -7.018 -6.210 1.00 0.00 C ATOM 1277 CG ARG A 89 -6.579 -8.454 -6.529 1.00 0.00 C ATOM 1278 CD ARG A 89 -7.084 -8.881 -7.908 1.00 0.00 C ATOM 1279 NE ARG A 89 -8.392 -9.560 -7.781 1.00 0.00 N ATOM 1280 CZ ARG A 89 -9.289 -9.656 -8.772 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -9.024 -9.117 -9.969 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -10.451 -10.292 -8.565 1.00 0.00 N ATOM 0 H ARG A 89 -8.454 -6.596 -4.013 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.611 -7.155 -4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.084 -6.932 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.588 -6.340 -6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.493 -8.535 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.973 -9.129 -5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.179 -8.009 -8.555 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.362 -9.549 -8.378 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.626 -9.982 -6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.140 -8.634 -10.126 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.706 -9.190 -10.724 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.652 -10.703 -7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.134 -10.365 -9.319 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.938 -4.783 -4.856 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.511 -3.394 -4.860 1.00 0.00 C ATOM 1298 C PHE A 90 -3.481 -3.140 -5.963 1.00 0.00 C ATOM 1299 O PHE A 90 -2.559 -3.932 -6.151 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.862 -3.122 -3.501 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.735 -3.512 -2.306 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.953 -2.931 -2.135 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.293 -4.439 -1.414 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.762 -3.292 -1.026 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.102 -4.800 -0.305 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.320 -4.219 -0.135 1.00 0.00 C ATOM 0 H PHE A 90 -4.178 -5.463 -4.886 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.366 -2.742 -5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.920 -3.668 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.620 -2.061 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.304 -2.195 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.326 -4.901 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.729 -2.830 -0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.751 -5.536 0.403 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.936 -4.494 0.708 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.673 -2.032 -6.663 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.773 -1.663 -7.742 1.00 0.00 C ATOM 1318 C LEU A 91 -1.898 -0.491 -7.293 1.00 0.00 C ATOM 1319 O LEU A 91 -2.265 0.668 -7.476 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.559 -1.387 -9.025 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.729 -1.228 -10.300 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.765 -2.403 -10.477 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.630 -1.036 -11.522 1.00 0.00 C ATOM 0 H LEU A 91 -4.439 -1.377 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.103 -2.490 -7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.267 -2.202 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.144 -0.479 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.124 -0.327 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.187 -2.265 -11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.089 -2.450 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.332 -3.332 -10.543 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.014 -0.925 -12.414 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.280 -1.904 -11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.239 -0.142 -11.388 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.757 -0.835 -6.714 1.00 0.00 N ATOM 1336 CA VAL A 92 0.174 0.174 -6.237 1.00 0.00 C ATOM 1337 C VAL A 92 1.340 0.292 -7.220 1.00 0.00 C ATOM 1338 O VAL A 92 1.712 -0.685 -7.868 1.00 0.00 O ATOM 1339 CB VAL A 92 0.624 -0.160 -4.813 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.605 -1.671 -4.573 1.00 0.00 C ATOM 1341 CG2 VAL A 92 2.008 0.424 -4.524 1.00 0.00 C ATOM 0 H VAL A 92 -0.456 -1.798 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.311 1.149 -6.190 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.083 0.298 -4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.929 -1.882 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.407 -2.050 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.279 -2.160 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.304 0.172 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.732 0.009 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.976 1.508 -4.635 1.00 0.00 H new ATOM 1351 N ALA A 93 1.885 1.497 -7.301 1.00 0.00 N ATOM 1352 CA ALA A 93 3.001 1.755 -8.195 1.00 0.00 C ATOM 1353 C ALA A 93 4.309 1.680 -7.405 1.00 0.00 C ATOM 1354 O ALA A 93 4.293 1.549 -6.182 1.00 0.00 O ATOM 1355 CB ALA A 93 2.808 3.112 -8.874 1.00 0.00 C ATOM 0 H ALA A 93 1.574 2.305 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 93 3.046 1.001 -8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.645 3.306 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.880 3.104 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.761 3.894 -8.117 1.00 0.00 H new ATOM 1361 N LYS A 94 5.411 1.765 -8.136 1.00 0.00 N ATOM 1362 CA LYS A 94 6.725 1.708 -7.519 1.00 0.00 C ATOM 1363 C LYS A 94 7.159 3.120 -7.122 1.00 0.00 C ATOM 1364 O LYS A 94 7.667 3.873 -7.951 1.00 0.00 O ATOM 1365 CB LYS A 94 7.718 0.995 -8.439 1.00 0.00 C ATOM 1366 CG LYS A 94 8.611 0.038 -7.646 1.00 0.00 C ATOM 1367 CD LYS A 94 9.572 0.810 -6.739 1.00 0.00 C ATOM 1368 CE LYS A 94 10.646 1.525 -7.561 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.991 1.019 -7.209 1.00 0.00 N ATOM 0 H LYS A 94 5.421 1.873 -9.150 1.00 0.00 H new ATOM 0 HA LYS A 94 6.691 1.116 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.176 0.441 -9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.335 1.731 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.992 -0.628 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.179 -0.589 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.015 1.538 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.044 0.124 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.460 1.372 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.596 2.599 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.708 1.515 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.172 1.187 -6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.040 -0.001 -7.404 1.00 0.00 H new ATOM 1383 N SER A 95 6.943 3.436 -5.854 1.00 0.00 N ATOM 1384 CA SER A 95 7.305 4.745 -5.336 1.00 0.00 C ATOM 1385 C SER A 95 8.778 4.754 -4.921 1.00 0.00 C ATOM 1386 O SER A 95 9.451 3.727 -4.986 1.00 0.00 O ATOM 1387 CB SER A 95 6.417 5.135 -4.153 1.00 0.00 C ATOM 1388 OG SER A 95 5.051 5.274 -4.534 1.00 0.00 O ATOM 0 H SER A 95 6.522 2.808 -5.169 1.00 0.00 H new ATOM 0 HA SER A 95 7.152 5.480 -6.126 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.500 4.379 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.772 6.073 -3.727 1.00 0.00 H new ATOM 0 HG SER A 95 4.511 5.487 -3.744 1.00 0.00 H new ATOM 1394 N ASP A 96 9.234 5.925 -4.502 1.00 0.00 N ATOM 1395 CA ASP A 96 10.614 6.081 -4.076 1.00 0.00 C ATOM 1396 C ASP A 96 10.643 6.592 -2.634 1.00 0.00 C ATOM 1397 O ASP A 96 9.596 6.825 -2.032 1.00 0.00 O ATOM 1398 CB ASP A 96 11.350 7.097 -4.952 1.00 0.00 C ATOM 1399 CG ASP A 96 11.483 6.704 -6.424 1.00 0.00 C ATOM 1400 OD1 ASP A 96 12.137 5.670 -6.679 1.00 0.00 O ATOM 1401 OD2 ASP A 96 10.928 7.447 -7.262 1.00 0.00 O ATOM 0 H ASP A 96 8.672 6.775 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 96 11.104 5.111 -4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.828 8.052 -4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.348 7.253 -4.541 1.00 0.00 H new ATOM 1406 N VAL A 97 11.854 6.752 -2.120 1.00 0.00 N ATOM 1407 CA VAL A 97 12.034 7.231 -0.760 1.00 0.00 C ATOM 1408 C VAL A 97 11.410 8.622 -0.628 1.00 0.00 C ATOM 1409 O VAL A 97 10.605 8.862 0.270 1.00 0.00 O ATOM 1410 CB VAL A 97 13.517 7.202 -0.387 1.00 0.00 C ATOM 1411 CG1 VAL A 97 14.073 5.778 -0.456 1.00 0.00 C ATOM 1412 CG2 VAL A 97 14.325 8.150 -1.276 1.00 0.00 C ATOM 0 H VAL A 97 12.721 6.558 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 97 11.523 6.577 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 97 13.610 7.548 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.129 5.786 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.526 5.140 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.960 5.392 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.376 8.110 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.221 7.848 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.954 9.168 -1.154 1.00 0.00 H new ATOM 1422 N GLU A 98 11.807 9.502 -1.535 1.00 0.00 N ATOM 1423 CA GLU A 98 11.297 10.862 -1.531 1.00 0.00 C ATOM 1424 C GLU A 98 9.796 10.866 -1.235 1.00 0.00 C ATOM 1425 O GLU A 98 9.337 11.577 -0.341 1.00 0.00 O ATOM 1426 CB GLU A 98 11.595 11.564 -2.858 1.00 0.00 C ATOM 1427 CG GLU A 98 12.718 12.590 -2.695 1.00 0.00 C ATOM 1428 CD GLU A 98 13.755 12.450 -3.811 1.00 0.00 C ATOM 1429 OE1 GLU A 98 14.299 11.332 -3.944 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.981 13.464 -4.507 1.00 0.00 O ATOM 0 H GLU A 98 12.476 9.300 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 98 11.805 11.416 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.878 10.826 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.695 12.059 -3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.300 13.597 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.200 12.456 -1.727 1.00 0.00 H new ATOM 1437 N THR A 99 9.072 10.063 -2.001 1.00 0.00 N ATOM 1438 CA THR A 99 7.632 9.965 -1.831 1.00 0.00 C ATOM 1439 C THR A 99 7.287 9.653 -0.374 1.00 0.00 C ATOM 1440 O THR A 99 6.337 10.210 0.176 1.00 0.00 O ATOM 1441 CB THR A 99 7.110 8.917 -2.817 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.849 9.658 -4.006 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.742 8.364 -2.414 1.00 0.00 C ATOM 0 H THR A 99 9.455 9.474 -2.741 1.00 0.00 H new ATOM 0 HA THR A 99 7.142 10.913 -2.052 1.00 0.00 H new ATOM 0 HB THR A 99 7.826 8.098 -2.888 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.508 9.055 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.418 7.625 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.814 7.895 -1.433 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.018 9.178 -2.375 1.00 0.00 H new ATOM 1451 N ALA A 100 8.076 8.764 0.211 1.00 0.00 N ATOM 1452 CA ALA A 100 7.866 8.372 1.594 1.00 0.00 C ATOM 1453 C ALA A 100 8.265 9.528 2.514 1.00 0.00 C ATOM 1454 O ALA A 100 7.563 9.829 3.478 1.00 0.00 O ATOM 1455 CB ALA A 100 8.655 7.094 1.888 1.00 0.00 C ATOM 0 H ALA A 100 8.862 8.304 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 100 6.813 8.155 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.498 6.800 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.314 6.296 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.717 7.275 1.719 1.00 0.00 H new ATOM 1461 N LYS A 101 9.391 10.143 2.184 1.00 0.00 N ATOM 1462 CA LYS A 101 9.892 11.259 2.968 1.00 0.00 C ATOM 1463 C LYS A 101 8.733 12.201 3.305 1.00 0.00 C ATOM 1464 O LYS A 101 8.608 12.655 4.441 1.00 0.00 O ATOM 1465 CB LYS A 101 11.051 11.946 2.244 1.00 0.00 C ATOM 1466 CG LYS A 101 12.275 11.030 2.177 1.00 0.00 C ATOM 1467 CD LYS A 101 13.566 11.846 2.088 1.00 0.00 C ATOM 1468 CE LYS A 101 13.946 12.113 0.630 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.389 12.423 0.519 1.00 0.00 N ATOM 0 H LYS A 101 9.971 9.890 1.384 1.00 0.00 H new ATOM 0 HA LYS A 101 10.302 10.905 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.743 12.221 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.311 12.870 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.304 10.391 3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.195 10.373 1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.439 12.792 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.374 11.310 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.707 11.242 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.358 12.945 0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.630 12.602 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.607 13.268 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.945 11.618 0.871 1.00 0.00 H new ATOM 1483 N LYS A 102 7.916 12.466 2.296 1.00 0.00 N ATOM 1484 CA LYS A 102 6.773 13.345 2.471 1.00 0.00 C ATOM 1485 C LYS A 102 5.703 12.626 3.296 1.00 0.00 C ATOM 1486 O LYS A 102 5.045 13.239 4.135 1.00 0.00 O ATOM 1487 CB LYS A 102 6.270 13.846 1.116 1.00 0.00 C ATOM 1488 CG LYS A 102 7.380 14.572 0.353 1.00 0.00 C ATOM 1489 CD LYS A 102 7.180 14.445 -1.158 1.00 0.00 C ATOM 1490 CE LYS A 102 8.476 14.012 -1.849 1.00 0.00 C ATOM 1491 NZ LYS A 102 8.674 14.773 -3.102 1.00 0.00 N ATOM 0 H LYS A 102 8.023 12.087 1.355 1.00 0.00 H new ATOM 0 HA LYS A 102 7.060 14.237 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.908 13.005 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.425 14.519 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.391 15.625 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.349 14.157 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.394 13.719 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.848 15.400 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.322 14.173 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.440 12.945 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.557 14.467 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.875 14.599 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.730 15.789 -2.886 1.00 0.00 H new ATOM 1505 N ILE A 103 5.564 11.336 3.029 1.00 0.00 N ATOM 1506 CA ILE A 103 4.586 10.526 3.736 1.00 0.00 C ATOM 1507 C ILE A 103 4.957 10.466 5.219 1.00 0.00 C ATOM 1508 O ILE A 103 4.095 10.249 6.070 1.00 0.00 O ATOM 1509 CB ILE A 103 4.452 9.151 3.078 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.070 9.284 1.603 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.468 8.268 3.849 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.566 9.085 1.406 1.00 0.00 C ATOM 0 H ILE A 103 6.112 10.831 2.333 1.00 0.00 H new ATOM 0 HA ILE A 103 3.597 10.980 3.673 1.00 0.00 H new ATOM 0 HB ILE A 103 5.423 8.658 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.361 10.268 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.618 8.549 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.391 7.297 3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.823 8.133 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.488 8.744 3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.321 9.185 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.282 8.091 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.022 9.837 1.977 1.00 0.00 H new ATOM 1524 N HIS A 104 6.241 10.660 5.483 1.00 0.00 N ATOM 1525 CA HIS A 104 6.736 10.630 6.849 1.00 0.00 C ATOM 1526 C HIS A 104 7.031 12.056 7.319 1.00 0.00 C ATOM 1527 O HIS A 104 7.078 12.983 6.512 1.00 0.00 O ATOM 1528 CB HIS A 104 7.949 9.705 6.967 1.00 0.00 C ATOM 1529 CG HIS A 104 7.595 8.243 7.100 1.00 0.00 C ATOM 1530 ND1 HIS A 104 8.543 7.235 7.061 1.00 0.00 N ATOM 1531 CD2 HIS A 104 6.388 7.630 7.271 1.00 0.00 C ATOM 1532 CE1 HIS A 104 7.924 6.073 7.204 1.00 0.00 C ATOM 1533 NE2 HIS A 104 6.589 6.319 7.333 1.00 0.00 N ATOM 0 H HIS A 104 6.953 10.838 4.775 1.00 0.00 H new ATOM 0 HA HIS A 104 5.972 10.218 7.508 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.581 9.837 6.089 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.540 10.006 7.832 1.00 0.00 H new ATOM 0 HD1 HIS A 104 9.548 7.365 6.942 1.00 0.00 H new ATOM 0 HD2 HIS A 104 5.432 8.127 7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 104 8.394 5.101 7.216 1.00 0.00 H new