USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 HIS : no HD1:sc= 1.6 K(o=2.8,f=-4.8!) USER MOD Set 1.2: A 91 SER OG : rot 105:sc= 1.16 USER MOD Set 2.1: A 61 MET CE :methyl -151:sc= -0.357 (180deg=-1.6!) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot -170:sc= 1.29 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00465) USER MOD Set 4.1: A 38 HIS : no HD1:sc= 0.54 K(o=0.61,f=-5.6!) USER MOD Set 4.2: A 43 GLN : amide:sc= 0.0725 K(o=0.61,f=-5.4!) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0.911 (180deg=0.906) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -168:sc= 0 (180deg=-0.0923) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.285 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= -0.914 (180deg=-0.914) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 64 GLN : amide:sc= 0.66 K(o=0.66,f=-0.25) USER MOD Single : A 68 GLN : amide:sc= -0.0618 X(o=-0.062,f=-0.061) USER MOD Single : A 69 GLN : amide:sc= 0.675 K(o=0.67,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.638 K(o=0.64,f=-4.1!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0207 USER MOD Single : A 88 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.6!) USER MOD Single : A 89 SER OG : rot -125:sc= 0.212 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 174:sc= -1.82 (180deg=-1.99) USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.16) USER MOD Single : A 105 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 11.960 6.094 4.836 1.00 0.00 N ATOM 69 CA VAL A 27 13.402 6.427 4.749 1.00 0.00 C ATOM 70 C VAL A 27 13.678 7.641 3.840 1.00 0.00 C ATOM 71 O VAL A 27 12.773 8.167 3.192 1.00 0.00 O ATOM 72 CB VAL A 27 14.230 5.184 4.346 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.145 4.097 5.425 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.802 4.574 3.006 1.00 0.00 C ATOM 0 HA VAL A 27 13.727 6.730 5.744 1.00 0.00 H new ATOM 0 HB VAL A 27 15.254 5.541 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.735 3.233 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.534 4.487 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.106 3.797 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.424 3.707 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.758 4.266 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.919 5.315 2.215 1.00 0.00 H new ATOM 84 N ARG A 28 14.926 8.131 3.816 1.00 0.00 N ATOM 85 CA ARG A 28 15.378 9.274 2.990 1.00 0.00 C ATOM 86 C ARG A 28 15.832 8.821 1.579 1.00 0.00 C ATOM 87 O ARG A 28 16.517 7.800 1.480 1.00 0.00 O ATOM 88 CB ARG A 28 16.500 9.995 3.765 1.00 0.00 C ATOM 89 CG ARG A 28 16.962 11.320 3.131 1.00 0.00 C ATOM 90 CD ARG A 28 17.873 12.166 4.034 1.00 0.00 C ATOM 91 NE ARG A 28 18.985 11.395 4.627 1.00 0.00 N ATOM 92 CZ ARG A 28 19.073 10.929 5.864 1.00 0.00 C ATOM 93 NH1 ARG A 28 18.103 11.031 6.731 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.161 10.330 6.257 1.00 0.00 N ATOM 0 H ARG A 28 15.675 7.736 4.385 1.00 0.00 H new ATOM 0 HA ARG A 28 14.552 9.963 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.155 10.193 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.357 9.326 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.491 11.101 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.084 11.909 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.282 12.993 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.276 12.603 4.834 1.00 0.00 H new ATOM 0 HE ARG A 28 19.776 11.199 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.229 11.486 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.219 10.656 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.944 10.220 5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.230 9.971 7.209 1.00 0.00 H new ATOM 108 N PRO A 29 15.491 9.553 0.495 1.00 0.00 N ATOM 109 CA PRO A 29 15.945 9.257 -0.872 1.00 0.00 C ATOM 110 C PRO A 29 17.421 9.611 -1.124 1.00 0.00 C ATOM 111 O PRO A 29 18.114 10.144 -0.254 1.00 0.00 O ATOM 112 CB PRO A 29 15.008 10.063 -1.777 1.00 0.00 C ATOM 113 CG PRO A 29 14.664 11.283 -0.933 1.00 0.00 C ATOM 114 CD PRO A 29 14.565 10.681 0.466 1.00 0.00 C ATOM 0 HA PRO A 29 15.901 8.186 -1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.495 10.345 -2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.117 9.494 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.435 12.052 -0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.728 11.745 -1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.826 11.418 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.547 10.353 0.677 1.00 0.00 H new ATOM 122 N LYS A 30 17.901 9.318 -2.342 1.00 0.00 N ATOM 123 CA LYS A 30 19.277 9.583 -2.778 1.00 0.00 C ATOM 124 C LYS A 30 19.531 11.093 -2.941 1.00 0.00 C ATOM 125 O LYS A 30 18.609 11.876 -3.174 1.00 0.00 O ATOM 126 CB LYS A 30 19.533 8.719 -4.025 1.00 0.00 C ATOM 127 CG LYS A 30 20.978 8.739 -4.529 1.00 0.00 C ATOM 128 CD LYS A 30 21.312 7.588 -5.486 1.00 0.00 C ATOM 129 CE LYS A 30 21.442 6.266 -4.716 1.00 0.00 C ATOM 130 NZ LYS A 30 21.699 5.125 -5.638 1.00 0.00 N ATOM 0 H LYS A 30 17.330 8.881 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 30 20.012 9.294 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.255 7.689 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.878 9.059 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.164 9.686 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.653 8.696 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.533 7.499 -6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.243 7.803 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.254 6.342 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.529 6.081 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.816 4.252 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.896 5.018 -6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.565 5.308 -6.183 1.00 0.00 H new ATOM 144 N LEU A 31 20.795 11.507 -2.828 1.00 0.00 N ATOM 145 CA LEU A 31 21.195 12.919 -2.705 1.00 0.00 C ATOM 146 C LEU A 31 20.720 13.866 -3.828 1.00 0.00 C ATOM 147 O LEU A 31 20.161 14.910 -3.489 1.00 0.00 O ATOM 148 CB LEU A 31 22.714 13.012 -2.444 1.00 0.00 C ATOM 149 CG LEU A 31 23.233 12.216 -1.227 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.742 12.416 -1.090 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.573 12.647 0.085 1.00 0.00 C ATOM 0 H LEU A 31 21.586 10.863 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 31 20.651 13.302 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.239 12.664 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.977 14.061 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 31 22.985 11.170 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.107 11.854 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.239 12.062 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.957 13.475 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.976 12.054 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.777 13.703 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.496 12.491 0.019 1.00 0.00 H new ATOM 163 N PRO A 32 20.819 13.538 -5.135 1.00 0.00 N ATOM 164 CA PRO A 32 20.270 14.398 -6.190 1.00 0.00 C ATOM 165 C PRO A 32 18.743 14.532 -6.129 1.00 0.00 C ATOM 166 O PRO A 32 18.217 15.586 -6.469 1.00 0.00 O ATOM 167 CB PRO A 32 20.733 13.783 -7.518 1.00 0.00 C ATOM 168 CG PRO A 32 21.989 13.014 -7.119 1.00 0.00 C ATOM 169 CD PRO A 32 21.607 12.479 -5.744 1.00 0.00 C ATOM 0 HA PRO A 32 20.633 15.419 -6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.975 13.126 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 32 20.948 14.548 -8.264 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.217 12.211 -7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.867 13.659 -7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.033 11.556 -5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.492 12.253 -5.149 1.00 0.00 H new ATOM 177 N LEU A 33 18.020 13.519 -5.633 1.00 0.00 N ATOM 178 CA LEU A 33 16.561 13.590 -5.456 1.00 0.00 C ATOM 179 C LEU A 33 16.214 14.539 -4.298 1.00 0.00 C ATOM 180 O LEU A 33 15.365 15.418 -4.448 1.00 0.00 O ATOM 181 CB LEU A 33 16.002 12.160 -5.285 1.00 0.00 C ATOM 182 CG LEU A 33 14.532 11.979 -5.709 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.150 10.500 -5.709 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.544 12.668 -4.775 1.00 0.00 C ATOM 0 H LEU A 33 18.427 12.630 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 33 16.082 14.013 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.619 11.474 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.101 11.870 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 33 14.470 12.425 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.108 10.393 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.788 9.959 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.281 10.090 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.528 12.500 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.647 12.259 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.749 13.738 -4.754 1.00 0.00 H new ATOM 196 N LEU A 34 16.954 14.464 -3.186 1.00 0.00 N ATOM 197 CA LEU A 34 16.855 15.454 -2.107 1.00 0.00 C ATOM 198 C LEU A 34 17.168 16.876 -2.617 1.00 0.00 C ATOM 199 O LEU A 34 16.480 17.826 -2.251 1.00 0.00 O ATOM 200 CB LEU A 34 17.778 15.036 -0.945 1.00 0.00 C ATOM 201 CG LEU A 34 17.401 15.677 0.407 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.142 15.033 0.990 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.534 15.473 1.411 1.00 0.00 C ATOM 0 H LEU A 34 17.632 13.723 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 34 15.829 15.482 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.751 13.951 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.804 15.307 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 34 17.223 16.738 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.900 15.504 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.311 15.167 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.317 13.968 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.262 15.928 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.706 14.406 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.444 15.939 1.033 1.00 0.00 H new ATOM 215 N LYS A 35 18.131 17.016 -3.540 1.00 0.00 N ATOM 216 CA LYS A 35 18.472 18.293 -4.193 1.00 0.00 C ATOM 217 C LYS A 35 17.348 18.843 -5.083 1.00 0.00 C ATOM 218 O LYS A 35 17.105 20.046 -5.067 1.00 0.00 O ATOM 219 CB LYS A 35 19.793 18.138 -4.974 1.00 0.00 C ATOM 220 CG LYS A 35 20.639 19.422 -4.989 1.00 0.00 C ATOM 221 CD LYS A 35 21.634 19.519 -3.817 1.00 0.00 C ATOM 222 CE LYS A 35 20.973 19.545 -2.429 1.00 0.00 C ATOM 223 NZ LYS A 35 21.974 19.771 -1.348 1.00 0.00 N ATOM 0 H LYS A 35 18.704 16.235 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 35 18.603 19.037 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.377 17.331 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.569 17.845 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.190 19.473 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.974 20.285 -4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.318 18.672 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.234 20.421 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.220 20.333 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.455 18.602 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.493 19.783 -0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.678 19.006 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.451 20.683 -1.501 1.00 0.00 H new ATOM 237 N ILE A 36 16.606 17.988 -5.794 1.00 0.00 N ATOM 238 CA ILE A 36 15.381 18.373 -6.520 1.00 0.00 C ATOM 239 C ILE A 36 14.304 18.882 -5.550 1.00 0.00 C ATOM 240 O ILE A 36 13.706 19.929 -5.788 1.00 0.00 O ATOM 241 CB ILE A 36 14.869 17.189 -7.371 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.890 16.852 -8.476 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.510 17.513 -8.009 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.638 15.494 -9.137 1.00 0.00 C ATOM 0 H ILE A 36 16.837 16.999 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 36 15.619 19.194 -7.196 1.00 0.00 H new ATOM 0 HB ILE A 36 14.746 16.329 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.861 17.631 -9.238 1.00 0.00 H new ATOM 0 HG13 ILE A 36 16.893 16.861 -8.050 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.174 16.662 -8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.781 17.720 -7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.609 18.387 -8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.391 15.318 -9.905 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.696 14.707 -8.385 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.648 15.489 -9.592 1.00 0.00 H new ATOM 256 N LEU A 37 14.091 18.196 -4.424 1.00 0.00 N ATOM 257 CA LEU A 37 13.163 18.630 -3.374 1.00 0.00 C ATOM 258 C LEU A 37 13.589 19.981 -2.751 1.00 0.00 C ATOM 259 O LEU A 37 12.737 20.844 -2.533 1.00 0.00 O ATOM 260 CB LEU A 37 13.019 17.488 -2.346 1.00 0.00 C ATOM 261 CG LEU A 37 12.362 16.215 -2.930 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.530 15.022 -1.999 1.00 0.00 C ATOM 263 CD2 LEU A 37 10.868 16.414 -3.129 1.00 0.00 C ATOM 0 H LEU A 37 14.561 17.316 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 37 12.179 18.827 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.005 17.233 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.425 17.841 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 37 12.859 16.026 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.056 14.146 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.591 14.824 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.063 15.241 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.431 15.504 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.400 16.640 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.700 17.241 -3.819 1.00 0.00 H new ATOM 275 N HIS A 38 14.893 20.231 -2.568 1.00 0.00 N ATOM 276 CA HIS A 38 15.418 21.556 -2.196 1.00 0.00 C ATOM 277 C HIS A 38 15.150 22.617 -3.278 1.00 0.00 C ATOM 278 O HIS A 38 14.661 23.703 -2.963 1.00 0.00 O ATOM 279 CB HIS A 38 16.922 21.479 -1.867 1.00 0.00 C ATOM 280 CG HIS A 38 17.269 20.738 -0.595 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.336 19.848 -0.425 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.664 20.926 0.613 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.326 19.505 0.877 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.333 20.141 1.522 1.00 0.00 N ATOM 0 H HIS A 38 15.616 19.520 -2.674 1.00 0.00 H new ATOM 0 HA HIS A 38 14.881 21.870 -1.301 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.435 20.998 -2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.314 22.494 -1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.820 21.569 0.817 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.018 18.816 1.338 1.00 0.00 H new ATOM 0 HE2 HIS A 38 17.114 20.056 2.514 1.00 0.00 H new ATOM 292 N ALA A 39 15.389 22.302 -4.557 1.00 0.00 N ATOM 293 CA ALA A 39 15.124 23.200 -5.687 1.00 0.00 C ATOM 294 C ALA A 39 13.628 23.534 -5.856 1.00 0.00 C ATOM 295 O ALA A 39 13.285 24.616 -6.338 1.00 0.00 O ATOM 296 CB ALA A 39 15.671 22.551 -6.961 1.00 0.00 C ATOM 0 H ALA A 39 15.778 21.402 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 39 15.624 24.148 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.483 23.205 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.744 22.392 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.176 21.593 -7.123 1.00 0.00 H new ATOM 302 N ALA A 40 12.738 22.638 -5.415 1.00 0.00 N ATOM 303 CA ALA A 40 11.294 22.864 -5.367 1.00 0.00 C ATOM 304 C ALA A 40 10.863 23.870 -4.268 1.00 0.00 C ATOM 305 O ALA A 40 9.689 24.241 -4.200 1.00 0.00 O ATOM 306 CB ALA A 40 10.600 21.508 -5.171 1.00 0.00 C ATOM 0 H ALA A 40 13.010 21.716 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 40 10.992 23.320 -6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.521 21.654 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.848 20.849 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.939 21.057 -4.238 1.00 0.00 H new ATOM 312 N GLY A 41 11.792 24.303 -3.400 1.00 0.00 N ATOM 313 CA GLY A 41 11.553 25.229 -2.285 1.00 0.00 C ATOM 314 C GLY A 41 11.244 24.556 -0.938 1.00 0.00 C ATOM 315 O GLY A 41 10.869 25.249 0.012 1.00 0.00 O ATOM 0 H GLY A 41 12.766 24.006 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.431 25.863 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.721 25.883 -2.547 1.00 0.00 H new ATOM 319 N ALA A 42 11.387 23.229 -0.839 1.00 0.00 N ATOM 320 CA ALA A 42 11.131 22.446 0.374 1.00 0.00 C ATOM 321 C ALA A 42 12.415 22.139 1.179 1.00 0.00 C ATOM 322 O ALA A 42 13.534 22.411 0.738 1.00 0.00 O ATOM 323 CB ALA A 42 10.389 21.166 -0.040 1.00 0.00 C ATOM 0 H ALA A 42 11.693 22.654 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 42 10.515 23.034 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.185 20.562 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.449 21.431 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.006 20.596 -0.734 1.00 0.00 H new ATOM 329 N GLN A 43 12.241 21.538 2.359 1.00 0.00 N ATOM 330 CA GLN A 43 13.291 20.950 3.205 1.00 0.00 C ATOM 331 C GLN A 43 12.877 19.524 3.593 1.00 0.00 C ATOM 332 O GLN A 43 11.684 19.232 3.717 1.00 0.00 O ATOM 333 CB GLN A 43 13.546 21.848 4.432 1.00 0.00 C ATOM 334 CG GLN A 43 14.334 21.245 5.617 1.00 0.00 C ATOM 335 CD GLN A 43 15.703 20.626 5.307 1.00 0.00 C ATOM 336 OE1 GLN A 43 16.184 20.584 4.181 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.359 20.053 6.293 1.00 0.00 N ATOM 0 H GLN A 43 11.315 21.442 2.775 1.00 0.00 H new ATOM 0 HA GLN A 43 14.233 20.889 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.080 22.735 4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.579 22.182 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.478 22.029 6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.713 20.478 6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.979 20.075 7.239 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.248 19.587 6.111 1.00 0.00 H new ATOM 346 N GLY A 44 13.853 18.632 3.784 1.00 0.00 N ATOM 347 CA GLY A 44 13.578 17.221 4.030 1.00 0.00 C ATOM 348 C GLY A 44 14.684 16.423 4.713 1.00 0.00 C ATOM 349 O GLY A 44 15.872 16.675 4.510 1.00 0.00 O ATOM 0 H GLY A 44 14.845 18.868 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.678 17.150 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.353 16.745 3.075 1.00 0.00 H new ATOM 353 N GLU A 45 14.265 15.420 5.490 1.00 0.00 N ATOM 354 CA GLU A 45 15.144 14.441 6.152 1.00 0.00 C ATOM 355 C GLU A 45 14.678 12.977 5.994 1.00 0.00 C ATOM 356 O GLU A 45 15.472 12.080 6.261 1.00 0.00 O ATOM 357 CB GLU A 45 15.280 14.801 7.645 1.00 0.00 C ATOM 358 CG GLU A 45 16.004 16.132 7.889 1.00 0.00 C ATOM 359 CD GLU A 45 16.201 16.381 9.397 1.00 0.00 C ATOM 360 OE1 GLU A 45 15.317 17.002 10.038 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.247 15.968 9.956 1.00 0.00 O ATOM 0 H GLU A 45 13.277 15.259 5.684 1.00 0.00 H new ATOM 0 HA GLU A 45 16.112 14.500 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.287 14.849 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.820 14.004 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.972 16.121 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.429 16.949 7.453 1.00 0.00 H new ATOM 368 N MET A 46 13.428 12.732 5.569 1.00 0.00 N ATOM 369 CA MET A 46 12.743 11.432 5.370 1.00 0.00 C ATOM 370 C MET A 46 11.343 11.678 4.755 1.00 0.00 C ATOM 371 O MET A 46 10.638 12.578 5.217 1.00 0.00 O ATOM 372 CB MET A 46 12.545 10.723 6.730 1.00 0.00 C ATOM 373 CG MET A 46 13.614 9.663 7.031 1.00 0.00 C ATOM 374 SD MET A 46 13.831 9.261 8.788 1.00 0.00 S ATOM 375 CE MET A 46 14.691 10.761 9.347 1.00 0.00 C ATOM 0 H MET A 46 12.809 13.507 5.332 1.00 0.00 H new ATOM 0 HA MET A 46 13.353 10.815 4.710 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.552 11.470 7.524 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.563 10.251 6.745 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.358 8.749 6.495 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.568 10.009 6.633 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.090 10.600 10.348 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.508 10.988 8.663 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.991 11.596 9.366 1.00 0.00 H new ATOM 385 N PHE A 47 10.906 10.886 3.759 1.00 0.00 N ATOM 386 CA PHE A 47 9.535 10.965 3.198 1.00 0.00 C ATOM 387 C PHE A 47 9.072 9.686 2.469 1.00 0.00 C ATOM 388 O PHE A 47 9.853 8.774 2.206 1.00 0.00 O ATOM 389 CB PHE A 47 9.325 12.183 2.262 1.00 0.00 C ATOM 390 CG PHE A 47 10.456 13.165 2.040 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.634 12.753 1.393 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.284 14.515 2.395 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.647 13.688 1.121 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.281 15.455 2.093 1.00 0.00 C ATOM 395 CZ PHE A 47 12.463 15.039 1.457 1.00 0.00 C ATOM 0 H PHE A 47 11.488 10.174 3.318 1.00 0.00 H new ATOM 0 HA PHE A 47 8.914 11.088 4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.034 11.796 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.476 12.747 2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.760 11.720 1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.383 14.829 2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.567 13.368 0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.140 16.495 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.232 15.761 1.226 1.00 0.00 H new ATOM 405 N THR A 48 7.781 9.632 2.125 1.00 0.00 N ATOM 406 CA THR A 48 7.136 8.582 1.306 1.00 0.00 C ATOM 407 C THR A 48 7.157 8.922 -0.192 1.00 0.00 C ATOM 408 O THR A 48 7.449 10.058 -0.567 1.00 0.00 O ATOM 409 CB THR A 48 5.675 8.401 1.758 1.00 0.00 C ATOM 410 OG1 THR A 48 4.980 9.602 1.498 1.00 0.00 O ATOM 411 CG2 THR A 48 5.543 8.110 3.252 1.00 0.00 C ATOM 0 H THR A 48 7.120 10.350 2.421 1.00 0.00 H new ATOM 0 HA THR A 48 7.701 7.661 1.451 1.00 0.00 H new ATOM 0 HB THR A 48 5.270 7.550 1.211 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.046 9.506 1.778 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.490 7.993 3.508 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.079 7.192 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.965 8.937 3.823 1.00 0.00 H new ATOM 419 N VAL A 49 6.759 7.977 -1.060 1.00 0.00 N ATOM 420 CA VAL A 49 6.519 8.234 -2.503 1.00 0.00 C ATOM 421 C VAL A 49 5.580 9.431 -2.693 1.00 0.00 C ATOM 422 O VAL A 49 5.874 10.308 -3.500 1.00 0.00 O ATOM 423 CB VAL A 49 5.990 6.951 -3.208 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.993 7.169 -4.353 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.146 6.159 -3.827 1.00 0.00 C ATOM 0 H VAL A 49 6.592 7.008 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 49 7.466 8.493 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 49 5.475 6.431 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.696 6.205 -4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.112 7.688 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.461 7.769 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.755 5.266 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.659 6.779 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.847 5.868 -3.045 1.00 0.00 H new ATOM 435 N LYS A 50 4.492 9.519 -1.914 1.00 0.00 N ATOM 436 CA LYS A 50 3.490 10.587 -1.981 1.00 0.00 C ATOM 437 C LYS A 50 4.037 11.946 -1.534 1.00 0.00 C ATOM 438 O LYS A 50 3.810 12.945 -2.213 1.00 0.00 O ATOM 439 CB LYS A 50 2.300 10.148 -1.114 1.00 0.00 C ATOM 440 CG LYS A 50 1.460 9.001 -1.705 1.00 0.00 C ATOM 441 CD LYS A 50 0.690 9.399 -2.977 1.00 0.00 C ATOM 442 CE LYS A 50 -0.236 8.253 -3.409 1.00 0.00 C ATOM 443 NZ LYS A 50 -1.051 8.619 -4.601 1.00 0.00 N ATOM 0 H LYS A 50 4.281 8.825 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 50 3.184 10.733 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.674 9.840 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.651 11.008 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.116 8.161 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.751 8.655 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.105 10.300 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.391 9.633 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.361 7.369 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.897 7.989 -2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.663 7.820 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.639 9.447 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.420 8.846 -5.396 1.00 0.00 H new ATOM 457 N GLU A 51 4.811 11.993 -0.451 1.00 0.00 N ATOM 458 CA GLU A 51 5.401 13.249 0.047 1.00 0.00 C ATOM 459 C GLU A 51 6.545 13.756 -0.847 1.00 0.00 C ATOM 460 O GLU A 51 6.688 14.966 -1.030 1.00 0.00 O ATOM 461 CB GLU A 51 5.856 13.067 1.499 1.00 0.00 C ATOM 462 CG GLU A 51 4.677 12.971 2.476 1.00 0.00 C ATOM 463 CD GLU A 51 4.005 14.339 2.702 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.483 15.121 3.561 1.00 0.00 O ATOM 465 OE2 GLU A 51 2.986 14.642 2.034 1.00 0.00 O ATOM 0 H GLU A 51 5.049 11.173 0.107 1.00 0.00 H new ATOM 0 HA GLU A 51 4.631 14.020 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.462 12.164 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.493 13.904 1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.942 12.265 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.027 12.577 3.430 1.00 0.00 H new ATOM 472 N VAL A 52 7.311 12.852 -1.472 1.00 0.00 N ATOM 473 CA VAL A 52 8.282 13.199 -2.528 1.00 0.00 C ATOM 474 C VAL A 52 7.542 13.775 -3.742 1.00 0.00 C ATOM 475 O VAL A 52 7.890 14.847 -4.227 1.00 0.00 O ATOM 476 CB VAL A 52 9.122 11.961 -2.912 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.932 12.162 -4.196 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.119 11.619 -1.797 1.00 0.00 C ATOM 0 H VAL A 52 7.277 11.855 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 52 8.968 13.959 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 52 8.403 11.157 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.501 11.258 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.255 12.372 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.618 12.999 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.702 10.744 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.789 12.464 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.576 11.406 -0.876 1.00 0.00 H new ATOM 488 N MET A 53 6.490 13.103 -4.217 1.00 0.00 N ATOM 489 CA MET A 53 5.701 13.434 -5.397 1.00 0.00 C ATOM 490 C MET A 53 4.928 14.745 -5.288 1.00 0.00 C ATOM 491 O MET A 53 4.821 15.461 -6.281 1.00 0.00 O ATOM 492 CB MET A 53 4.784 12.236 -5.569 1.00 0.00 C ATOM 493 CG MET A 53 3.601 12.412 -6.507 1.00 0.00 C ATOM 494 SD MET A 53 2.655 10.906 -6.899 1.00 0.00 S ATOM 495 CE MET A 53 3.772 9.607 -6.299 1.00 0.00 C ATOM 0 H MET A 53 6.148 12.260 -3.755 1.00 0.00 H new ATOM 0 HA MET A 53 6.342 13.611 -6.261 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.382 11.399 -5.929 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.401 11.956 -4.587 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.920 13.140 -6.066 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.965 12.841 -7.441 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.321 8.630 -6.474 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.721 9.669 -6.831 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.945 9.741 -5.231 1.00 0.00 H new ATOM 505 N HIS A 54 4.455 15.090 -4.090 1.00 0.00 N ATOM 506 CA HIS A 54 3.840 16.392 -3.805 1.00 0.00 C ATOM 507 C HIS A 54 4.746 17.551 -4.266 1.00 0.00 C ATOM 508 O HIS A 54 4.324 18.400 -5.055 1.00 0.00 O ATOM 509 CB HIS A 54 3.535 16.475 -2.299 1.00 0.00 C ATOM 510 CG HIS A 54 2.984 17.816 -1.880 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.677 18.264 -2.098 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.694 18.806 -1.265 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.630 19.514 -1.602 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.827 19.863 -1.096 1.00 0.00 N ATOM 0 H HIS A 54 4.487 14.470 -3.281 1.00 0.00 H new ATOM 0 HA HIS A 54 2.909 16.486 -4.364 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.819 15.696 -2.036 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.447 16.272 -1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.732 18.768 -0.969 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.755 20.147 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.054 20.758 -0.661 1.00 0.00 H new ATOM 522 N TYR A 55 6.011 17.553 -3.833 1.00 0.00 N ATOM 523 CA TYR A 55 7.046 18.481 -4.305 1.00 0.00 C ATOM 524 C TYR A 55 7.595 18.179 -5.714 1.00 0.00 C ATOM 525 O TYR A 55 7.930 19.118 -6.430 1.00 0.00 O ATOM 526 CB TYR A 55 8.158 18.547 -3.256 1.00 0.00 C ATOM 527 CG TYR A 55 7.709 19.107 -1.916 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.217 20.426 -1.830 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.764 18.304 -0.759 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.778 20.940 -0.594 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.333 18.817 0.480 1.00 0.00 C ATOM 532 CZ TYR A 55 6.839 20.137 0.567 1.00 0.00 C ATOM 533 OH TYR A 55 6.423 20.625 1.770 1.00 0.00 O ATOM 0 H TYR A 55 6.352 16.897 -3.130 1.00 0.00 H new ATOM 0 HA TYR A 55 6.576 19.458 -4.421 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.560 17.545 -3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.971 19.162 -3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.177 21.044 -2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.138 17.293 -0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.395 21.948 -0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.380 18.200 1.365 1.00 0.00 H new ATOM 0 HH TYR A 55 6.535 19.937 2.459 1.00 0.00 H new ATOM 543 N LEU A 56 7.687 16.917 -6.156 1.00 0.00 N ATOM 544 CA LEU A 56 8.235 16.574 -7.483 1.00 0.00 C ATOM 545 C LEU A 56 7.323 17.006 -8.640 1.00 0.00 C ATOM 546 O LEU A 56 7.813 17.569 -9.617 1.00 0.00 O ATOM 547 CB LEU A 56 8.588 15.069 -7.577 1.00 0.00 C ATOM 548 CG LEU A 56 10.090 14.752 -7.717 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.663 15.283 -9.032 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.919 15.285 -6.550 1.00 0.00 C ATOM 0 H LEU A 56 7.387 16.108 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 56 9.157 17.146 -7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.209 14.568 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.062 14.642 -8.431 1.00 0.00 H new ATOM 0 HG LEU A 56 10.159 13.664 -7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.724 15.039 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.137 14.824 -9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.537 16.365 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.968 15.032 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.812 16.368 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.570 14.836 -5.620 1.00 0.00 H new ATOM 562 N GLY A 57 6.005 16.828 -8.518 1.00 0.00 N ATOM 563 CA GLY A 57 5.033 17.336 -9.494 1.00 0.00 C ATOM 564 C GLY A 57 5.047 18.867 -9.568 1.00 0.00 C ATOM 565 O GLY A 57 5.048 19.441 -10.655 1.00 0.00 O ATOM 0 H GLY A 57 5.579 16.327 -7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.256 16.923 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.034 16.994 -9.223 1.00 0.00 H new ATOM 569 N GLN A 58 5.178 19.533 -8.415 1.00 0.00 N ATOM 570 CA GLN A 58 5.368 20.985 -8.303 1.00 0.00 C ATOM 571 C GLN A 58 6.684 21.449 -8.960 1.00 0.00 C ATOM 572 O GLN A 58 6.689 22.412 -9.732 1.00 0.00 O ATOM 573 CB GLN A 58 5.286 21.342 -6.804 1.00 0.00 C ATOM 574 CG GLN A 58 5.615 22.792 -6.420 1.00 0.00 C ATOM 575 CD GLN A 58 4.619 23.799 -6.991 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.688 24.244 -6.331 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.763 24.188 -8.241 1.00 0.00 N ATOM 0 H GLN A 58 5.154 19.065 -7.509 1.00 0.00 H new ATOM 0 HA GLN A 58 4.588 21.516 -8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.277 21.119 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.964 20.684 -6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.631 22.880 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.616 23.038 -6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.534 23.826 -8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.104 24.852 -8.648 1.00 0.00 H new ATOM 586 N TYR A 59 7.791 20.748 -8.712 1.00 0.00 N ATOM 587 CA TYR A 59 9.091 21.038 -9.313 1.00 0.00 C ATOM 588 C TYR A 59 9.014 20.917 -10.836 1.00 0.00 C ATOM 589 O TYR A 59 9.359 21.851 -11.553 1.00 0.00 O ATOM 590 CB TYR A 59 10.132 20.070 -8.736 1.00 0.00 C ATOM 591 CG TYR A 59 11.479 20.128 -9.424 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.453 21.052 -9.009 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.742 19.260 -10.499 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.690 21.103 -9.680 1.00 0.00 C ATOM 595 CE2 TYR A 59 12.971 19.310 -11.178 1.00 0.00 C ATOM 596 CZ TYR A 59 13.959 20.232 -10.758 1.00 0.00 C ATOM 597 OH TYR A 59 15.167 20.326 -11.372 1.00 0.00 O ATOM 0 H TYR A 59 7.809 19.950 -8.077 1.00 0.00 H new ATOM 0 HA TYR A 59 9.385 22.061 -9.079 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.268 20.288 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.744 19.054 -8.805 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.254 21.718 -8.182 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.991 18.547 -10.806 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.440 21.815 -9.367 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.160 18.651 -12.013 1.00 0.00 H new ATOM 0 HH TYR A 59 15.159 19.790 -12.193 1.00 0.00 H new ATOM 607 N ILE A 60 8.463 19.809 -11.337 1.00 0.00 N ATOM 608 CA ILE A 60 8.273 19.563 -12.770 1.00 0.00 C ATOM 609 C ILE A 60 7.332 20.604 -13.393 1.00 0.00 C ATOM 610 O ILE A 60 7.595 21.049 -14.507 1.00 0.00 O ATOM 611 CB ILE A 60 7.830 18.094 -12.971 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.054 17.173 -12.726 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.211 17.862 -14.362 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.755 15.669 -12.794 1.00 0.00 C ATOM 0 H ILE A 60 8.131 19.044 -10.749 1.00 0.00 H new ATOM 0 HA ILE A 60 9.212 19.689 -13.309 1.00 0.00 H new ATOM 0 HB ILE A 60 7.045 17.855 -12.254 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.822 17.410 -13.463 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.472 17.402 -11.746 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.915 16.818 -14.459 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.335 18.500 -14.482 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.944 18.104 -15.131 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.671 15.107 -12.610 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.013 15.411 -12.038 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.368 15.419 -13.782 1.00 0.00 H new ATOM 626 N MET A 61 6.311 21.083 -12.676 1.00 0.00 N ATOM 627 CA MET A 61 5.457 22.197 -13.114 1.00 0.00 C ATOM 628 C MET A 61 6.235 23.523 -13.227 1.00 0.00 C ATOM 629 O MET A 61 6.007 24.276 -14.172 1.00 0.00 O ATOM 630 CB MET A 61 4.255 22.311 -12.153 1.00 0.00 C ATOM 631 CG MET A 61 3.233 23.418 -12.466 1.00 0.00 C ATOM 632 SD MET A 61 1.846 22.992 -13.563 1.00 0.00 S ATOM 633 CE MET A 61 2.688 22.695 -15.137 1.00 0.00 C ATOM 0 H MET A 61 6.049 20.706 -11.765 1.00 0.00 H new ATOM 0 HA MET A 61 5.093 21.988 -14.120 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.732 21.355 -12.145 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.637 22.474 -11.145 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.819 23.771 -11.521 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.770 24.256 -12.912 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.014 22.932 -15.960 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.575 23.326 -15.200 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.983 21.648 -15.200 1.00 0.00 H new ATOM 643 N VAL A 62 7.171 23.811 -12.310 1.00 0.00 N ATOM 644 CA VAL A 62 7.984 25.053 -12.305 1.00 0.00 C ATOM 645 C VAL A 62 9.130 25.021 -13.317 1.00 0.00 C ATOM 646 O VAL A 62 9.469 26.044 -13.913 1.00 0.00 O ATOM 647 CB VAL A 62 8.502 25.351 -10.892 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.433 26.562 -10.787 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.326 25.631 -9.960 1.00 0.00 C ATOM 0 H VAL A 62 7.393 23.184 -11.537 1.00 0.00 H new ATOM 0 HA VAL A 62 7.325 25.863 -12.618 1.00 0.00 H new ATOM 0 HB VAL A 62 9.071 24.463 -10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.746 26.692 -9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.310 26.402 -11.414 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.906 27.456 -11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.698 25.842 -8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.767 26.491 -10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.672 24.760 -9.928 1.00 0.00 H new ATOM 659 N LYS A 63 9.714 23.838 -13.518 1.00 0.00 N ATOM 660 CA LYS A 63 10.822 23.591 -14.462 1.00 0.00 C ATOM 661 C LYS A 63 10.346 23.198 -15.870 1.00 0.00 C ATOM 662 O LYS A 63 11.134 23.231 -16.815 1.00 0.00 O ATOM 663 CB LYS A 63 11.794 22.545 -13.870 1.00 0.00 C ATOM 664 CG LYS A 63 12.441 22.888 -12.509 1.00 0.00 C ATOM 665 CD LYS A 63 12.802 24.370 -12.335 1.00 0.00 C ATOM 666 CE LYS A 63 13.750 24.610 -11.150 1.00 0.00 C ATOM 667 NZ LYS A 63 15.151 24.198 -11.461 1.00 0.00 N ATOM 0 H LYS A 63 9.426 22.997 -13.018 1.00 0.00 H new ATOM 0 HA LYS A 63 11.353 24.534 -14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.256 21.603 -13.763 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.592 22.375 -14.593 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.757 22.597 -11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.344 22.290 -12.389 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.269 24.737 -13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.890 24.948 -12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.734 25.666 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.393 24.055 -10.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.767 24.424 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.180 23.174 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.484 24.709 -12.304 1.00 0.00 H new ATOM 681 N GLN A 64 9.069 22.829 -16.003 1.00 0.00 N ATOM 682 CA GLN A 64 8.426 22.272 -17.196 1.00 0.00 C ATOM 683 C GLN A 64 9.228 21.128 -17.864 1.00 0.00 C ATOM 684 O GLN A 64 9.651 21.239 -19.018 1.00 0.00 O ATOM 685 CB GLN A 64 7.986 23.355 -18.205 1.00 0.00 C ATOM 686 CG GLN A 64 7.029 24.424 -17.651 1.00 0.00 C ATOM 687 CD GLN A 64 7.738 25.629 -17.031 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.699 26.179 -17.558 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.277 26.112 -15.901 1.00 0.00 N ATOM 0 H GLN A 64 8.413 22.918 -15.227 1.00 0.00 H new ATOM 0 HA GLN A 64 7.512 21.806 -16.828 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.876 23.853 -18.589 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.505 22.865 -19.051 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.382 24.771 -18.457 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.386 23.967 -16.899 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.479 25.670 -15.445 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.717 26.929 -15.478 1.00 0.00 H new ATOM 698 N LEU A 65 9.442 20.012 -17.146 1.00 0.00 N ATOM 699 CA LEU A 65 10.106 18.817 -17.709 1.00 0.00 C ATOM 700 C LEU A 65 9.137 17.922 -18.502 1.00 0.00 C ATOM 701 O LEU A 65 9.563 17.026 -19.227 1.00 0.00 O ATOM 702 CB LEU A 65 10.827 18.014 -16.614 1.00 0.00 C ATOM 703 CG LEU A 65 11.927 18.777 -15.854 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.705 17.778 -15.008 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.931 19.501 -16.755 1.00 0.00 C ATOM 0 H LEU A 65 9.164 19.910 -16.170 1.00 0.00 H new ATOM 0 HA LEU A 65 10.852 19.179 -18.416 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.086 17.666 -15.894 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.270 17.128 -17.069 1.00 0.00 H new ATOM 0 HG LEU A 65 11.419 19.539 -15.263 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.491 18.299 -14.460 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.029 17.295 -14.302 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.153 17.024 -15.655 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.670 20.012 -16.139 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.432 18.777 -17.397 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.406 20.231 -17.372 1.00 0.00 H new ATOM 717 N TYR A 66 7.831 18.156 -18.368 1.00 0.00 N ATOM 718 CA TYR A 66 6.794 17.450 -19.113 1.00 0.00 C ATOM 719 C TYR A 66 6.655 17.989 -20.545 1.00 0.00 C ATOM 720 O TYR A 66 6.920 19.167 -20.806 1.00 0.00 O ATOM 721 CB TYR A 66 5.467 17.517 -18.341 1.00 0.00 C ATOM 722 CG TYR A 66 4.868 18.913 -18.286 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.269 19.826 -17.289 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.963 19.321 -19.286 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.807 21.155 -17.324 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.490 20.648 -19.317 1.00 0.00 C ATOM 727 CZ TYR A 66 3.924 21.573 -18.342 1.00 0.00 C ATOM 728 OH TYR A 66 3.501 22.868 -18.375 1.00 0.00 O ATOM 0 H TYR A 66 7.460 18.856 -17.725 1.00 0.00 H new ATOM 0 HA TYR A 66 7.084 16.404 -19.209 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.750 16.841 -18.807 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.629 17.159 -17.324 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.931 19.505 -16.498 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.631 18.614 -20.032 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.129 21.857 -16.569 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.797 20.957 -20.085 1.00 0.00 H new ATOM 0 HH TYR A 66 2.898 22.996 -19.137 1.00 0.00 H new ATOM 738 N ASP A 67 6.205 17.146 -21.476 1.00 0.00 N ATOM 739 CA ASP A 67 5.827 17.591 -22.820 1.00 0.00 C ATOM 740 C ASP A 67 4.383 18.131 -22.827 1.00 0.00 C ATOM 741 O ASP A 67 3.458 17.451 -22.380 1.00 0.00 O ATOM 742 CB ASP A 67 6.034 16.463 -23.840 1.00 0.00 C ATOM 743 CG ASP A 67 6.015 17.003 -25.280 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.003 17.618 -25.690 1.00 0.00 O ATOM 745 OD2 ASP A 67 7.019 16.826 -26.009 1.00 0.00 O ATOM 0 H ASP A 67 6.093 16.144 -21.323 1.00 0.00 H new ATOM 0 HA ASP A 67 6.477 18.414 -23.117 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.985 15.966 -23.648 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.252 15.713 -23.720 1.00 0.00 H new ATOM 750 N GLN A 68 4.163 19.351 -23.332 1.00 0.00 N ATOM 751 CA GLN A 68 2.834 19.985 -23.319 1.00 0.00 C ATOM 752 C GLN A 68 1.801 19.262 -24.198 1.00 0.00 C ATOM 753 O GLN A 68 0.598 19.428 -23.993 1.00 0.00 O ATOM 754 CB GLN A 68 2.965 21.460 -23.752 1.00 0.00 C ATOM 755 CG GLN A 68 3.004 21.680 -25.285 1.00 0.00 C ATOM 756 CD GLN A 68 1.657 22.099 -25.880 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.066 23.113 -25.528 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.128 21.339 -26.818 1.00 0.00 N ATOM 0 H GLN A 68 4.892 19.924 -23.758 1.00 0.00 H new ATOM 0 HA GLN A 68 2.460 19.920 -22.297 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.128 22.022 -23.338 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.874 21.874 -23.315 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.746 22.444 -25.515 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.334 20.760 -25.767 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.610 20.492 -27.120 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.237 21.598 -27.242 1.00 0.00 H new ATOM 767 N GLN A 69 2.254 18.519 -25.218 1.00 0.00 N ATOM 768 CA GLN A 69 1.377 17.943 -26.228 1.00 0.00 C ATOM 769 C GLN A 69 0.807 16.584 -25.768 1.00 0.00 C ATOM 770 O GLN A 69 -0.311 16.205 -26.120 1.00 0.00 O ATOM 771 CB GLN A 69 2.118 17.918 -27.575 1.00 0.00 C ATOM 772 CG GLN A 69 2.844 16.612 -27.911 1.00 0.00 C ATOM 773 CD GLN A 69 3.937 16.839 -28.950 1.00 0.00 C ATOM 774 OE1 GLN A 69 3.778 16.593 -30.141 1.00 0.00 O ATOM 775 NE2 GLN A 69 5.077 17.344 -28.535 1.00 0.00 N ATOM 0 H GLN A 69 3.241 18.305 -25.359 1.00 0.00 H new ATOM 0 HA GLN A 69 0.492 18.563 -26.371 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.399 18.127 -28.368 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.846 18.729 -27.583 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.282 16.193 -27.005 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.128 15.881 -28.287 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.213 17.550 -27.545 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.825 17.530 -29.203 1.00 0.00 H new ATOM 784 N GLU A 70 1.597 15.884 -24.947 1.00 0.00 N ATOM 785 CA GLU A 70 1.342 14.584 -24.322 1.00 0.00 C ATOM 786 C GLU A 70 2.046 14.509 -22.948 1.00 0.00 C ATOM 787 O GLU A 70 3.181 14.039 -22.832 1.00 0.00 O ATOM 788 CB GLU A 70 1.844 13.450 -25.237 1.00 0.00 C ATOM 789 CG GLU A 70 0.995 13.264 -26.496 1.00 0.00 C ATOM 790 CD GLU A 70 1.313 11.926 -27.191 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.748 10.877 -26.791 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.129 11.909 -28.146 1.00 0.00 O ATOM 0 H GLU A 70 2.512 16.246 -24.680 1.00 0.00 H new ATOM 0 HA GLU A 70 0.268 14.468 -24.174 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.873 13.658 -25.529 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.855 12.517 -24.674 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.062 13.298 -26.233 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.178 14.088 -27.186 1.00 0.00 H new ATOM 799 N GLN A 71 1.363 14.965 -21.890 1.00 0.00 N ATOM 800 CA GLN A 71 1.919 15.132 -20.539 1.00 0.00 C ATOM 801 C GLN A 71 2.427 13.834 -19.882 1.00 0.00 C ATOM 802 O GLN A 71 3.170 13.907 -18.901 1.00 0.00 O ATOM 803 CB GLN A 71 0.871 15.797 -19.630 1.00 0.00 C ATOM 804 CG GLN A 71 0.597 17.268 -19.983 1.00 0.00 C ATOM 805 CD GLN A 71 -0.401 17.523 -21.117 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.918 16.632 -21.780 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.715 18.772 -21.382 1.00 0.00 N ATOM 0 H GLN A 71 0.381 15.236 -21.951 1.00 0.00 H new ATOM 0 HA GLN A 71 2.799 15.764 -20.658 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.062 15.237 -19.694 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.209 15.737 -18.595 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.233 17.772 -19.088 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.544 17.737 -20.250 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.296 19.529 -20.842 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.378 18.984 -22.128 1.00 0.00 H new ATOM 816 N HIS A 72 2.077 12.656 -20.422 1.00 0.00 N ATOM 817 CA HIS A 72 2.669 11.390 -19.982 1.00 0.00 C ATOM 818 C HIS A 72 4.187 11.341 -20.217 1.00 0.00 C ATOM 819 O HIS A 72 4.880 10.726 -19.413 1.00 0.00 O ATOM 820 CB HIS A 72 1.956 10.184 -20.620 1.00 0.00 C ATOM 821 CG HIS A 72 2.116 10.038 -22.116 1.00 0.00 C ATOM 822 ND1 HIS A 72 3.288 9.661 -22.780 1.00 0.00 N ATOM 823 CD2 HIS A 72 1.126 10.210 -23.039 1.00 0.00 C ATOM 824 CE1 HIS A 72 2.981 9.632 -24.087 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.688 9.948 -24.269 1.00 0.00 N ATOM 0 H HIS A 72 1.385 12.558 -21.165 1.00 0.00 H new ATOM 0 HA HIS A 72 2.519 11.329 -18.904 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.325 9.275 -20.144 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.892 10.254 -20.393 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.103 10.495 -22.844 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.674 9.389 -24.879 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.204 9.987 -25.166 1.00 0.00 H new ATOM 833 N MET A 73 4.723 12.010 -21.247 1.00 0.00 N ATOM 834 CA MET A 73 6.164 12.066 -21.514 1.00 0.00 C ATOM 835 C MET A 73 6.840 13.152 -20.665 1.00 0.00 C ATOM 836 O MET A 73 6.432 14.319 -20.671 1.00 0.00 O ATOM 837 CB MET A 73 6.415 12.228 -23.024 1.00 0.00 C ATOM 838 CG MET A 73 7.843 12.637 -23.429 1.00 0.00 C ATOM 839 SD MET A 73 9.266 11.747 -22.722 1.00 0.00 S ATOM 840 CE MET A 73 9.001 10.037 -23.259 1.00 0.00 C ATOM 0 H MET A 73 4.163 12.531 -21.922 1.00 0.00 H new ATOM 0 HA MET A 73 6.625 11.125 -21.215 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.175 11.285 -23.516 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.721 12.975 -23.410 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.911 12.553 -24.514 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.963 13.692 -23.183 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.809 9.409 -22.884 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.050 9.676 -22.868 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.985 9.996 -24.348 1.00 0.00 H new ATOM 850 N VAL A 74 7.908 12.762 -19.966 1.00 0.00 N ATOM 851 CA VAL A 74 8.786 13.629 -19.174 1.00 0.00 C ATOM 852 C VAL A 74 10.212 13.514 -19.714 1.00 0.00 C ATOM 853 O VAL A 74 10.780 12.421 -19.761 1.00 0.00 O ATOM 854 CB VAL A 74 8.758 13.275 -17.672 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.323 14.434 -16.842 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.351 12.960 -17.148 1.00 0.00 C ATOM 0 H VAL A 74 8.199 11.785 -19.935 1.00 0.00 H new ATOM 0 HA VAL A 74 8.425 14.653 -19.265 1.00 0.00 H new ATOM 0 HB VAL A 74 9.368 12.378 -17.568 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.297 14.171 -15.785 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.353 14.629 -17.142 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.721 15.328 -17.008 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.404 12.720 -16.086 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.706 13.827 -17.292 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.942 12.109 -17.693 1.00 0.00 H new ATOM 866 N TYR A 75 10.792 14.644 -20.116 1.00 0.00 N ATOM 867 CA TYR A 75 12.156 14.763 -20.626 1.00 0.00 C ATOM 868 C TYR A 75 13.044 15.452 -19.580 1.00 0.00 C ATOM 869 O TYR A 75 12.949 16.661 -19.356 1.00 0.00 O ATOM 870 CB TYR A 75 12.135 15.516 -21.964 1.00 0.00 C ATOM 871 CG TYR A 75 13.513 15.719 -22.570 1.00 0.00 C ATOM 872 CD1 TYR A 75 14.108 14.691 -23.326 1.00 0.00 C ATOM 873 CD2 TYR A 75 14.207 16.929 -22.364 1.00 0.00 C ATOM 874 CE1 TYR A 75 15.394 14.868 -23.875 1.00 0.00 C ATOM 875 CE2 TYR A 75 15.492 17.109 -22.910 1.00 0.00 C ATOM 876 CZ TYR A 75 16.090 16.080 -23.669 1.00 0.00 C ATOM 877 OH TYR A 75 17.336 16.262 -24.188 1.00 0.00 O ATOM 0 H TYR A 75 10.303 15.539 -20.094 1.00 0.00 H new ATOM 0 HA TYR A 75 12.581 13.776 -20.809 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.514 14.966 -22.671 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.665 16.489 -21.817 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.577 13.764 -23.486 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.752 17.720 -21.786 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.848 14.077 -24.453 1.00 0.00 H new ATOM 0 HE2 TYR A 75 16.021 18.036 -22.748 1.00 0.00 H new ATOM 0 HH TYR A 75 17.663 17.154 -23.948 1.00 0.00 H new ATOM 887 N CYS A 76 13.921 14.674 -18.940 1.00 0.00 N ATOM 888 CA CYS A 76 14.807 15.138 -17.867 1.00 0.00 C ATOM 889 C CYS A 76 16.247 15.432 -18.348 1.00 0.00 C ATOM 890 O CYS A 76 17.183 15.450 -17.546 1.00 0.00 O ATOM 891 CB CYS A 76 14.740 14.144 -16.697 1.00 0.00 C ATOM 892 SG CYS A 76 13.032 14.036 -16.078 1.00 0.00 S ATOM 0 H CYS A 76 14.038 13.684 -19.157 1.00 0.00 H new ATOM 0 HA CYS A 76 14.452 16.106 -17.515 1.00 0.00 H new ATOM 0 HB2 CYS A 76 15.082 13.161 -17.022 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.407 14.464 -15.897 1.00 0.00 H new ATOM 0 HG CYS A 76 12.981 13.192 -15.090 1.00 0.00 H new ATOM 898 N GLY A 77 16.455 15.645 -19.654 1.00 0.00 N ATOM 899 CA GLY A 77 17.767 15.983 -20.218 1.00 0.00 C ATOM 900 C GLY A 77 18.327 17.282 -19.624 1.00 0.00 C ATOM 901 O GLY A 77 17.673 18.328 -19.667 1.00 0.00 O ATOM 0 H GLY A 77 15.713 15.587 -20.352 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.465 15.167 -20.029 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.682 16.086 -21.300 1.00 0.00 H new ATOM 905 N GLY A 78 19.525 17.207 -19.035 1.00 0.00 N ATOM 906 CA GLY A 78 20.165 18.312 -18.306 1.00 0.00 C ATOM 907 C GLY A 78 19.636 18.556 -16.880 1.00 0.00 C ATOM 908 O GLY A 78 20.130 19.459 -16.200 1.00 0.00 O ATOM 0 H GLY A 78 20.091 16.359 -19.051 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.236 18.116 -18.250 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.039 19.228 -18.884 1.00 0.00 H new ATOM 912 N ASP A 79 18.664 17.771 -16.399 1.00 0.00 N ATOM 913 CA ASP A 79 18.209 17.795 -15.000 1.00 0.00 C ATOM 914 C ASP A 79 19.146 16.984 -14.083 1.00 0.00 C ATOM 915 O ASP A 79 19.862 16.101 -14.561 1.00 0.00 O ATOM 916 CB ASP A 79 16.777 17.245 -14.926 1.00 0.00 C ATOM 917 CG ASP A 79 16.177 17.454 -13.535 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.796 18.603 -13.214 1.00 0.00 O ATOM 919 OD2 ASP A 79 16.168 16.481 -12.753 1.00 0.00 O ATOM 0 H ASP A 79 18.165 17.093 -16.975 1.00 0.00 H new ATOM 0 HA ASP A 79 18.227 18.826 -14.647 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.155 17.740 -15.672 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.780 16.182 -15.168 1.00 0.00 H new ATOM 924 N LEU A 80 19.068 17.200 -12.762 1.00 0.00 N ATOM 925 CA LEU A 80 19.733 16.397 -11.720 1.00 0.00 C ATOM 926 C LEU A 80 19.549 14.884 -11.960 1.00 0.00 C ATOM 927 O LEU A 80 20.508 14.117 -11.828 1.00 0.00 O ATOM 928 CB LEU A 80 19.117 16.754 -10.345 1.00 0.00 C ATOM 929 CG LEU A 80 19.584 18.036 -9.628 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.050 17.956 -9.207 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.366 19.310 -10.444 1.00 0.00 C ATOM 0 H LEU A 80 18.520 17.967 -12.373 1.00 0.00 H new ATOM 0 HA LEU A 80 20.799 16.623 -11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.037 16.825 -10.476 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.302 15.915 -9.674 1.00 0.00 H new ATOM 0 HG LEU A 80 18.953 18.098 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.336 18.881 -8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.188 17.116 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.675 17.814 -10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.718 20.171 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.920 19.242 -11.380 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.304 19.427 -10.659 1.00 0.00 H new ATOM 943 N LEU A 81 18.344 14.462 -12.373 1.00 0.00 N ATOM 944 CA LEU A 81 18.032 13.067 -12.713 1.00 0.00 C ATOM 945 C LEU A 81 18.907 12.545 -13.871 1.00 0.00 C ATOM 946 O LEU A 81 19.440 11.436 -13.811 1.00 0.00 O ATOM 947 CB LEU A 81 16.538 12.969 -13.087 1.00 0.00 C ATOM 948 CG LEU A 81 15.532 13.299 -11.969 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.099 13.238 -12.494 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.657 12.356 -10.774 1.00 0.00 C ATOM 0 H LEU A 81 17.548 15.090 -12.481 1.00 0.00 H new ATOM 0 HA LEU A 81 18.247 12.443 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.350 13.640 -13.925 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.339 11.957 -13.439 1.00 0.00 H new ATOM 0 HG LEU A 81 15.767 14.310 -11.636 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.405 13.475 -11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.976 13.960 -13.301 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.891 12.236 -12.869 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.926 12.632 -10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.474 11.332 -11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.661 12.430 -10.355 1.00 0.00 H new ATOM 962 N GLY A 82 19.081 13.362 -14.910 1.00 0.00 N ATOM 963 CA GLY A 82 19.932 13.080 -16.065 1.00 0.00 C ATOM 964 C GLY A 82 21.434 13.135 -15.763 1.00 0.00 C ATOM 965 O GLY A 82 22.170 12.314 -16.299 1.00 0.00 O ATOM 0 H GLY A 82 18.618 14.269 -14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.686 12.091 -16.452 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.704 13.796 -16.854 1.00 0.00 H new ATOM 969 N GLU A 83 21.919 14.006 -14.868 1.00 0.00 N ATOM 970 CA GLU A 83 23.339 13.993 -14.464 1.00 0.00 C ATOM 971 C GLU A 83 23.664 12.714 -13.692 1.00 0.00 C ATOM 972 O GLU A 83 24.694 12.073 -13.915 1.00 0.00 O ATOM 973 CB GLU A 83 23.685 15.170 -13.544 1.00 0.00 C ATOM 974 CG GLU A 83 23.003 16.469 -13.923 1.00 0.00 C ATOM 975 CD GLU A 83 23.740 17.692 -13.344 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.598 17.985 -12.133 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.482 18.369 -14.099 1.00 0.00 O ATOM 0 H GLU A 83 21.358 14.725 -14.411 1.00 0.00 H new ATOM 0 HA GLU A 83 23.919 14.060 -15.385 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.410 14.912 -12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.764 15.321 -13.555 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.958 16.552 -15.009 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.975 16.459 -13.561 1.00 0.00 H new ATOM 984 N LEU A 84 22.744 12.344 -12.795 1.00 0.00 N ATOM 985 CA LEU A 84 22.833 11.130 -11.989 1.00 0.00 C ATOM 986 C LEU A 84 22.849 9.847 -12.853 1.00 0.00 C ATOM 987 O LEU A 84 23.738 9.008 -12.688 1.00 0.00 O ATOM 988 CB LEU A 84 21.670 11.167 -10.979 1.00 0.00 C ATOM 989 CG LEU A 84 21.406 9.835 -10.271 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.569 9.359 -9.398 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.163 9.941 -9.398 1.00 0.00 C ATOM 0 H LEU A 84 21.904 12.892 -12.608 1.00 0.00 H new ATOM 0 HA LEU A 84 23.782 11.099 -11.453 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.881 11.928 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.763 11.475 -11.499 1.00 0.00 H new ATOM 0 HG LEU A 84 21.271 9.102 -11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.308 8.410 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.457 9.226 -10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.772 10.101 -8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.986 8.988 -8.900 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.309 10.720 -8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.303 10.191 -10.019 1.00 0.00 H new ATOM 1003 N LEU A 85 21.874 9.680 -13.758 1.00 0.00 N ATOM 1004 CA LEU A 85 21.635 8.422 -14.489 1.00 0.00 C ATOM 1005 C LEU A 85 22.169 8.436 -15.940 1.00 0.00 C ATOM 1006 O LEU A 85 22.080 7.436 -16.651 1.00 0.00 O ATOM 1007 CB LEU A 85 20.111 8.141 -14.419 1.00 0.00 C ATOM 1008 CG LEU A 85 19.630 6.699 -14.143 1.00 0.00 C ATOM 1009 CD1 LEU A 85 20.076 5.665 -15.168 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.067 6.220 -12.758 1.00 0.00 C ATOM 0 H LEU A 85 21.220 10.422 -14.008 1.00 0.00 H new ATOM 0 HA LEU A 85 22.197 7.616 -14.018 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.693 8.782 -13.643 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.673 8.459 -15.365 1.00 0.00 H new ATOM 0 HG LEU A 85 18.544 6.771 -14.209 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.689 4.685 -14.888 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.693 5.939 -16.151 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.165 5.630 -15.199 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.712 5.202 -12.596 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.155 6.240 -12.693 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.646 6.876 -11.996 1.00 0.00 H new ATOM 1022 N GLY A 86 22.651 9.577 -16.438 1.00 0.00 N ATOM 1023 CA GLY A 86 22.985 9.809 -17.852 1.00 0.00 C ATOM 1024 C GLY A 86 21.747 10.118 -18.715 1.00 0.00 C ATOM 1025 O GLY A 86 21.843 10.852 -19.701 1.00 0.00 O ATOM 0 H GLY A 86 22.827 10.393 -15.852 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.688 10.639 -17.923 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.490 8.929 -18.251 1.00 0.00 H new ATOM 1029 N ARG A 87 20.581 9.579 -18.322 1.00 0.00 N ATOM 1030 CA ARG A 87 19.258 9.735 -18.955 1.00 0.00 C ATOM 1031 C ARG A 87 18.116 9.379 -17.992 1.00 0.00 C ATOM 1032 O ARG A 87 18.185 8.362 -17.311 1.00 0.00 O ATOM 1033 CB ARG A 87 19.182 8.869 -20.242 1.00 0.00 C ATOM 1034 CG ARG A 87 19.099 7.331 -20.086 1.00 0.00 C ATOM 1035 CD ARG A 87 20.187 6.719 -19.191 1.00 0.00 C ATOM 1036 NE ARG A 87 20.169 5.245 -19.214 1.00 0.00 N ATOM 1037 CZ ARG A 87 21.082 4.442 -18.694 1.00 0.00 C ATOM 1038 NH1 ARG A 87 22.071 4.886 -17.969 1.00 0.00 N ATOM 1039 NH2 ARG A 87 21.013 3.156 -18.892 1.00 0.00 N ATOM 0 H ARG A 87 20.533 8.981 -17.497 1.00 0.00 H new ATOM 0 HA ARG A 87 19.136 10.785 -19.222 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.310 9.193 -20.810 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.060 9.095 -20.848 1.00 0.00 H new ATOM 0 HG2 ARG A 87 18.122 7.073 -19.676 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.161 6.875 -21.074 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.165 7.073 -19.518 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.049 7.066 -18.167 1.00 0.00 H new ATOM 0 HE ARG A 87 19.375 4.801 -19.676 1.00 0.00 H new ATOM 0 HH11 ARG A 87 22.160 5.885 -17.785 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.755 4.234 -17.586 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.253 2.766 -19.450 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.719 2.539 -18.490 1.00 0.00 H new ATOM 1053 N GLN A 88 17.059 10.185 -17.949 1.00 0.00 N ATOM 1054 CA GLN A 88 15.793 9.860 -17.264 1.00 0.00 C ATOM 1055 C GLN A 88 14.603 10.394 -18.084 1.00 0.00 C ATOM 1056 O GLN A 88 13.703 11.039 -17.552 1.00 0.00 O ATOM 1057 CB GLN A 88 15.760 10.316 -15.783 1.00 0.00 C ATOM 1058 CG GLN A 88 16.542 9.413 -14.801 1.00 0.00 C ATOM 1059 CD GLN A 88 15.895 9.249 -13.411 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.827 9.749 -13.097 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.505 8.523 -12.494 1.00 0.00 N ATOM 0 H GLN A 88 17.049 11.102 -18.395 1.00 0.00 H new ATOM 0 HA GLN A 88 15.712 8.774 -17.212 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.162 11.327 -15.721 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.721 10.366 -15.457 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.657 8.427 -15.251 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.544 9.823 -14.673 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.401 8.083 -12.705 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.081 8.402 -11.574 1.00 0.00 H new ATOM 1070 N SER A 89 14.607 10.169 -19.402 1.00 0.00 N ATOM 1071 CA SER A 89 13.417 10.436 -20.231 1.00 0.00 C ATOM 1072 C SER A 89 12.505 9.210 -20.210 1.00 0.00 C ATOM 1073 O SER A 89 12.963 8.087 -20.444 1.00 0.00 O ATOM 1074 CB SER A 89 13.735 10.835 -21.673 1.00 0.00 C ATOM 1075 OG SER A 89 14.873 11.686 -21.731 1.00 0.00 O ATOM 0 H SER A 89 15.409 9.807 -19.917 1.00 0.00 H new ATOM 0 HA SER A 89 12.917 11.300 -19.792 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.915 9.941 -22.269 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.875 11.342 -22.111 1.00 0.00 H new ATOM 0 HG SER A 89 14.638 12.515 -22.198 1.00 0.00 H new ATOM 1081 N PHE A 90 11.226 9.409 -19.901 1.00 0.00 N ATOM 1082 CA PHE A 90 10.279 8.320 -19.629 1.00 0.00 C ATOM 1083 C PHE A 90 8.822 8.737 -19.827 1.00 0.00 C ATOM 1084 O PHE A 90 8.503 9.922 -19.940 1.00 0.00 O ATOM 1085 CB PHE A 90 10.484 7.789 -18.194 1.00 0.00 C ATOM 1086 CG PHE A 90 9.902 8.652 -17.082 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.581 9.805 -16.649 1.00 0.00 C ATOM 1088 CD2 PHE A 90 8.681 8.302 -16.474 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.056 10.598 -15.613 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.142 9.109 -15.455 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.831 10.253 -15.018 1.00 0.00 C ATOM 0 H PHE A 90 10.810 10.338 -19.831 1.00 0.00 H new ATOM 0 HA PHE A 90 10.486 7.531 -20.352 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.041 6.795 -18.127 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.554 7.674 -18.018 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.514 10.084 -17.116 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.157 7.412 -16.790 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.594 11.471 -15.275 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.195 8.848 -15.007 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.421 10.864 -14.228 1.00 0.00 H new ATOM 1101 N SER A 91 7.935 7.740 -19.827 1.00 0.00 N ATOM 1102 CA SER A 91 6.492 7.951 -19.811 1.00 0.00 C ATOM 1103 C SER A 91 5.827 7.365 -18.586 1.00 0.00 C ATOM 1104 O SER A 91 6.102 6.230 -18.188 1.00 0.00 O ATOM 1105 CB SER A 91 5.847 7.368 -21.054 1.00 0.00 C ATOM 1106 OG SER A 91 4.462 7.657 -21.029 1.00 0.00 O ATOM 0 H SER A 91 8.204 6.756 -19.838 1.00 0.00 H new ATOM 0 HA SER A 91 6.345 9.031 -19.787 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.304 7.790 -21.949 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.007 6.290 -21.092 1.00 0.00 H new ATOM 0 HG SER A 91 4.267 8.379 -21.663 1.00 0.00 H new ATOM 1112 N VAL A 92 4.887 8.125 -18.027 1.00 0.00 N ATOM 1113 CA VAL A 92 4.148 7.708 -16.839 1.00 0.00 C ATOM 1114 C VAL A 92 3.038 6.680 -17.126 1.00 0.00 C ATOM 1115 O VAL A 92 2.403 6.178 -16.197 1.00 0.00 O ATOM 1116 CB VAL A 92 3.677 8.900 -15.971 1.00 0.00 C ATOM 1117 CG1 VAL A 92 3.968 8.529 -14.530 1.00 0.00 C ATOM 1118 CG2 VAL A 92 4.372 10.248 -16.218 1.00 0.00 C ATOM 0 H VAL A 92 4.618 9.042 -18.383 1.00 0.00 H new ATOM 0 HA VAL A 92 4.870 7.168 -16.227 1.00 0.00 H new ATOM 0 HB VAL A 92 2.628 9.052 -16.224 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.653 9.341 -13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.423 7.621 -14.271 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.037 8.358 -14.407 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.954 11.001 -15.549 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.440 10.147 -16.028 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.215 10.554 -17.252 1.00 0.00 H new ATOM 1128 N LYS A 93 2.841 6.300 -18.401 1.00 0.00 N ATOM 1129 CA LYS A 93 1.978 5.173 -18.817 1.00 0.00 C ATOM 1130 C LYS A 93 2.681 3.803 -18.766 1.00 0.00 C ATOM 1131 O LYS A 93 2.040 2.772 -18.972 1.00 0.00 O ATOM 1132 CB LYS A 93 1.392 5.479 -20.208 1.00 0.00 C ATOM 1133 CG LYS A 93 2.354 5.154 -21.364 1.00 0.00 C ATOM 1134 CD LYS A 93 2.000 5.942 -22.634 1.00 0.00 C ATOM 1135 CE LYS A 93 3.037 5.731 -23.747 1.00 0.00 C ATOM 1136 NZ LYS A 93 2.926 4.390 -24.388 1.00 0.00 N ATOM 0 H LYS A 93 3.284 6.774 -19.188 1.00 0.00 H new ATOM 0 HA LYS A 93 1.168 5.085 -18.093 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.473 4.909 -20.340 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.122 6.534 -20.256 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.376 5.387 -21.064 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.320 4.086 -21.577 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.017 5.634 -22.990 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.934 7.004 -22.396 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.912 6.504 -24.506 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.038 5.850 -23.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.648 4.300 -25.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.072 3.650 -23.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.981 4.283 -24.809 1.00 0.00 H new ATOM 1150 N ASP A 94 3.994 3.796 -18.520 1.00 0.00 N ATOM 1151 CA ASP A 94 4.893 2.641 -18.615 1.00 0.00 C ATOM 1152 C ASP A 94 5.616 2.393 -17.266 1.00 0.00 C ATOM 1153 O ASP A 94 6.730 2.881 -17.052 1.00 0.00 O ATOM 1154 CB ASP A 94 5.841 2.858 -19.809 1.00 0.00 C ATOM 1155 CG ASP A 94 6.571 1.574 -20.252 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.305 0.476 -19.706 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.387 1.657 -21.202 1.00 0.00 O ATOM 0 H ASP A 94 4.486 4.642 -18.233 1.00 0.00 H new ATOM 0 HA ASP A 94 4.334 1.725 -18.805 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.270 3.251 -20.650 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.580 3.614 -19.544 1.00 0.00 H new ATOM 1162 N PRO A 95 4.975 1.689 -16.309 1.00 0.00 N ATOM 1163 CA PRO A 95 5.462 1.549 -14.932 1.00 0.00 C ATOM 1164 C PRO A 95 6.757 0.733 -14.773 1.00 0.00 C ATOM 1165 O PRO A 95 7.515 0.995 -13.839 1.00 0.00 O ATOM 1166 CB PRO A 95 4.301 0.918 -14.149 1.00 0.00 C ATOM 1167 CG PRO A 95 3.485 0.197 -15.221 1.00 0.00 C ATOM 1168 CD PRO A 95 3.634 1.135 -16.414 1.00 0.00 C ATOM 0 HA PRO A 95 5.748 2.531 -14.554 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.662 0.226 -13.388 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.707 1.674 -13.636 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.877 -0.798 -15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.443 0.073 -14.927 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.504 0.598 -17.354 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.881 1.923 -16.390 1.00 0.00 H new ATOM 1176 N SER A 96 7.056 -0.222 -15.661 1.00 0.00 N ATOM 1177 CA SER A 96 8.247 -1.088 -15.546 1.00 0.00 C ATOM 1178 C SER A 96 9.588 -0.328 -15.594 1.00 0.00 C ATOM 1179 O SER A 96 10.374 -0.471 -14.651 1.00 0.00 O ATOM 1180 CB SER A 96 8.237 -2.203 -16.599 1.00 0.00 C ATOM 1181 OG SER A 96 7.094 -3.032 -16.432 1.00 0.00 O ATOM 0 H SER A 96 6.483 -0.420 -16.481 1.00 0.00 H new ATOM 0 HA SER A 96 8.176 -1.528 -14.551 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.236 -1.768 -17.598 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.144 -2.801 -16.513 1.00 0.00 H new ATOM 0 HG SER A 96 7.100 -3.738 -17.112 1.00 0.00 H new ATOM 1187 N PRO A 97 9.879 0.514 -16.612 1.00 0.00 N ATOM 1188 CA PRO A 97 11.101 1.322 -16.624 1.00 0.00 C ATOM 1189 C PRO A 97 11.109 2.400 -15.526 1.00 0.00 C ATOM 1190 O PRO A 97 12.167 2.738 -14.996 1.00 0.00 O ATOM 1191 CB PRO A 97 11.169 1.946 -18.024 1.00 0.00 C ATOM 1192 CG PRO A 97 9.709 1.991 -18.471 1.00 0.00 C ATOM 1193 CD PRO A 97 9.149 0.713 -17.858 1.00 0.00 C ATOM 0 HA PRO A 97 11.973 0.704 -16.412 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.611 2.942 -17.997 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.777 1.346 -18.701 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.197 2.879 -18.101 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.615 1.998 -19.557 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.079 0.805 -17.673 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.285 -0.135 -18.530 1.00 0.00 H new ATOM 1201 N LEU A 98 9.936 2.912 -15.132 1.00 0.00 N ATOM 1202 CA LEU A 98 9.784 3.905 -14.077 1.00 0.00 C ATOM 1203 C LEU A 98 10.197 3.339 -12.702 1.00 0.00 C ATOM 1204 O LEU A 98 10.951 3.973 -11.961 1.00 0.00 O ATOM 1205 CB LEU A 98 8.323 4.399 -14.158 1.00 0.00 C ATOM 1206 CG LEU A 98 7.845 5.222 -12.960 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.682 6.485 -12.811 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.374 5.603 -13.122 1.00 0.00 C ATOM 0 H LEU A 98 9.049 2.636 -15.552 1.00 0.00 H new ATOM 0 HA LEU A 98 10.454 4.755 -14.210 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.209 5.000 -15.060 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.669 3.534 -14.268 1.00 0.00 H new ATOM 0 HG LEU A 98 7.959 4.610 -12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.327 7.057 -11.954 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.727 6.213 -12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.592 7.090 -13.713 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.053 6.188 -12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.249 6.195 -14.029 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.770 4.699 -13.193 1.00 0.00 H new ATOM 1220 N TYR A 99 9.769 2.114 -12.397 1.00 0.00 N ATOM 1221 CA TYR A 99 10.145 1.371 -11.190 1.00 0.00 C ATOM 1222 C TYR A 99 11.662 1.128 -11.106 1.00 0.00 C ATOM 1223 O TYR A 99 12.237 1.241 -10.025 1.00 0.00 O ATOM 1224 CB TYR A 99 9.346 0.057 -11.188 1.00 0.00 C ATOM 1225 CG TYR A 99 9.519 -0.872 -9.996 1.00 0.00 C ATOM 1226 CD1 TYR A 99 9.404 -0.385 -8.677 1.00 0.00 C ATOM 1227 CD2 TYR A 99 9.694 -2.254 -10.217 1.00 0.00 C ATOM 1228 CE1 TYR A 99 9.453 -1.276 -7.585 1.00 0.00 C ATOM 1229 CE2 TYR A 99 9.735 -3.148 -9.129 1.00 0.00 C ATOM 1230 CZ TYR A 99 9.603 -2.663 -7.811 1.00 0.00 C ATOM 1231 OH TYR A 99 9.635 -3.537 -6.768 1.00 0.00 O ATOM 0 H TYR A 99 9.132 1.594 -13.000 1.00 0.00 H new ATOM 0 HA TYR A 99 9.902 1.956 -10.303 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.288 0.307 -11.268 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.611 -0.498 -12.088 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.278 0.673 -8.503 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.797 -2.628 -11.225 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.376 -0.898 -6.576 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.868 -4.205 -9.304 1.00 0.00 H new ATOM 0 HH TYR A 99 9.743 -4.449 -7.109 1.00 0.00 H new ATOM 1241 N ASP A 100 12.335 0.883 -12.237 1.00 0.00 N ATOM 1242 CA ASP A 100 13.797 0.735 -12.300 1.00 0.00 C ATOM 1243 C ASP A 100 14.541 2.034 -11.948 1.00 0.00 C ATOM 1244 O ASP A 100 15.449 2.021 -11.114 1.00 0.00 O ATOM 1245 CB ASP A 100 14.203 0.261 -13.699 1.00 0.00 C ATOM 1246 CG ASP A 100 15.687 -0.134 -13.745 1.00 0.00 C ATOM 1247 OD1 ASP A 100 16.043 -1.231 -13.253 1.00 0.00 O ATOM 1248 OD2 ASP A 100 16.512 0.652 -14.269 1.00 0.00 O ATOM 0 H ASP A 100 11.877 0.781 -13.143 1.00 0.00 H new ATOM 0 HA ASP A 100 14.083 -0.006 -11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.588 -0.591 -13.989 1.00 0.00 H new ATOM 0 HB3 ASP A 100 14.013 1.053 -14.423 1.00 0.00 H new ATOM 1253 N MET A 101 14.122 3.166 -12.530 1.00 0.00 N ATOM 1254 CA MET A 101 14.664 4.495 -12.187 1.00 0.00 C ATOM 1255 C MET A 101 14.497 4.810 -10.693 1.00 0.00 C ATOM 1256 O MET A 101 15.446 5.223 -10.026 1.00 0.00 O ATOM 1257 CB MET A 101 13.930 5.615 -12.929 1.00 0.00 C ATOM 1258 CG MET A 101 14.045 5.673 -14.450 1.00 0.00 C ATOM 1259 SD MET A 101 13.413 7.242 -15.126 1.00 0.00 S ATOM 1260 CE MET A 101 11.861 7.464 -14.192 1.00 0.00 C ATOM 0 H MET A 101 13.400 3.190 -13.250 1.00 0.00 H new ATOM 0 HA MET A 101 15.716 4.455 -12.468 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.872 5.542 -12.678 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.286 6.566 -12.532 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.089 5.548 -14.739 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.492 4.842 -14.887 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.429 8.436 -14.430 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.157 6.677 -14.464 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.069 7.411 -13.123 1.00 0.00 H new ATOM 1270 N LEU A 102 13.281 4.623 -10.167 1.00 0.00 N ATOM 1271 CA LEU A 102 12.948 4.883 -8.769 1.00 0.00 C ATOM 1272 C LEU A 102 13.742 3.971 -7.835 1.00 0.00 C ATOM 1273 O LEU A 102 14.414 4.507 -6.966 1.00 0.00 O ATOM 1274 CB LEU A 102 11.423 4.815 -8.541 1.00 0.00 C ATOM 1275 CG LEU A 102 10.733 6.196 -8.589 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.879 6.904 -9.932 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.257 6.028 -8.245 1.00 0.00 C ATOM 0 H LEU A 102 12.490 4.281 -10.713 1.00 0.00 H new ATOM 0 HA LEU A 102 13.247 5.902 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.979 4.169 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.228 4.353 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 102 11.233 6.830 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.370 7.867 -9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.936 7.060 -10.148 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.435 6.291 -10.717 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.763 6.999 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.789 5.359 -8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.162 5.606 -7.245 1.00 0.00 H new ATOM 1289 N ARG A 103 13.823 2.653 -8.060 1.00 0.00 N ATOM 1290 CA ARG A 103 14.661 1.747 -7.237 1.00 0.00 C ATOM 1291 C ARG A 103 16.119 2.211 -7.095 1.00 0.00 C ATOM 1292 O ARG A 103 16.742 1.965 -6.061 1.00 0.00 O ATOM 1293 CB ARG A 103 14.612 0.327 -7.819 1.00 0.00 C ATOM 1294 CG ARG A 103 13.336 -0.403 -7.375 1.00 0.00 C ATOM 1295 CD ARG A 103 13.069 -1.634 -8.239 1.00 0.00 C ATOM 1296 NE ARG A 103 14.165 -2.626 -8.188 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.304 -3.679 -8.976 1.00 0.00 C ATOM 1298 NH1 ARG A 103 13.417 -3.988 -9.879 1.00 0.00 N ATOM 1299 NH2 ARG A 103 15.344 -4.455 -8.864 1.00 0.00 N ATOM 0 H ARG A 103 13.317 2.180 -8.809 1.00 0.00 H new ATOM 0 HA ARG A 103 14.240 1.761 -6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.649 0.374 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.488 -0.234 -7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.431 -0.703 -6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.486 0.277 -7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.143 -2.107 -7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.918 -1.320 -9.272 1.00 0.00 H new ATOM 0 HE ARG A 103 14.882 -2.484 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.584 -3.410 -9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.555 -4.807 -10.470 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.058 -4.252 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.444 -5.265 -9.475 1.00 0.00 H new ATOM 1313 N LYS A 104 16.640 2.919 -8.105 1.00 0.00 N ATOM 1314 CA LYS A 104 17.994 3.501 -8.136 1.00 0.00 C ATOM 1315 C LYS A 104 18.116 4.892 -7.488 1.00 0.00 C ATOM 1316 O LYS A 104 19.234 5.251 -7.119 1.00 0.00 O ATOM 1317 CB LYS A 104 18.502 3.487 -9.593 1.00 0.00 C ATOM 1318 CG LYS A 104 18.746 2.046 -10.080 1.00 0.00 C ATOM 1319 CD LYS A 104 18.971 1.973 -11.595 1.00 0.00 C ATOM 1320 CE LYS A 104 19.188 0.507 -11.996 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.165 0.327 -13.471 1.00 0.00 N ATOM 0 H LYS A 104 16.113 3.111 -8.957 1.00 0.00 H new ATOM 0 HA LYS A 104 18.631 2.877 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.773 3.975 -10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.426 4.060 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.614 1.633 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.892 1.425 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.112 2.385 -12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.836 2.573 -11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 104 20.144 0.161 -11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.414 -0.112 -11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.415 -0.655 -13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.212 0.537 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.851 0.973 -13.910 1.00 0.00 H new ATOM 1335 N ASN A 105 17.031 5.665 -7.314 1.00 0.00 N ATOM 1336 CA ASN A 105 17.105 7.060 -6.800 1.00 0.00 C ATOM 1337 C ASN A 105 16.199 7.365 -5.574 1.00 0.00 C ATOM 1338 O ASN A 105 16.508 8.227 -4.754 1.00 0.00 O ATOM 1339 CB ASN A 105 16.822 7.981 -8.007 1.00 0.00 C ATOM 1340 CG ASN A 105 17.201 9.435 -7.785 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.113 9.775 -7.055 1.00 0.00 O ATOM 1342 ND2 ASN A 105 16.531 10.348 -8.444 1.00 0.00 N ATOM 0 H ASN A 105 16.082 5.353 -7.521 1.00 0.00 H new ATOM 0 HA ASN A 105 18.099 7.236 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.366 7.604 -8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.761 7.927 -8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.776 11.333 -8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.765 10.074 -9.059 1.00 0.00 H new ATOM 1349 N LEU A 106 15.106 6.626 -5.399 1.00 0.00 N ATOM 1350 CA LEU A 106 14.216 6.607 -4.235 1.00 0.00 C ATOM 1351 C LEU A 106 14.255 5.181 -3.656 1.00 0.00 C ATOM 1352 O LEU A 106 13.551 4.287 -4.125 1.00 0.00 O ATOM 1353 CB LEU A 106 12.817 7.042 -4.726 1.00 0.00 C ATOM 1354 CG LEU A 106 11.672 6.987 -3.697 1.00 0.00 C ATOM 1355 CD1 LEU A 106 11.949 7.809 -2.440 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.409 7.559 -4.339 1.00 0.00 C ATOM 0 H LEU A 106 14.794 5.975 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 106 14.511 7.290 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.890 8.064 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.543 6.413 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 106 11.564 5.942 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.103 7.727 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.848 7.434 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.094 8.854 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.589 7.526 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.589 8.592 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.147 6.968 -5.216 1.00 0.00 H new