USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 729 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 34 ASN : amide:sc= -4.44! C(o=-4.4!,f=-2.8!) USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= -0.521 K(o=-0.52,f=-1.1) USER MOD Single : A 11 HIS : no HD1:sc= -0.303 X(o=-0.3,f=0.059) USER MOD Single : A 21 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.55) USER MOD Single : A 24 ASN : amide:sc= -0.691 K(o=-0.69,f=-2.6!) USER MOD Single : A 26 HIS : no HE2:sc= 0.334 K(o=0.33,f=-1.2) USER MOD Single : A 29 TYR OH : rot -26:sc= 0.893 USER MOD Single : A 33 GLN : amide:sc= -0.439 K(o=-0.44,f=-1.3) USER MOD Single : A 40 TYR OH : rot -158:sc= -0.286 USER MOD Single : A 42 HIS : no HD1:sc= 0.0202 K(o=0.02,f=-2.4) USER MOD Single : A 45 MET CE :methyl -164:sc= -1.79! (180deg=-2.25) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 42:sc= 0.219 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 67 ASN : amide:sc= -0.652 K(o=-0.65,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 87:sc= 0.955 USER MOD Single : A 77 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.2) USER MOD Single : A 78 LYS NZ :NH3+ -102:sc= 0.625 (180deg=-0.698) USER MOD Single : A 79 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-3.9) USER MOD Single : A 95 TYR OH : rot -48:sc= 0.065 USER MOD Single : A 98 MET CE :methyl -136:sc= -2.78! (180deg=-4.29!) USER MOD Single : A 105 LYS NZ :NH3+ -138:sc= 0.144 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -6.498 9.846 -2.458 1.00 0.00 N ATOM 63 CA PHE A 5 -5.239 9.563 -1.741 1.00 0.00 C ATOM 64 C PHE A 5 -4.993 10.609 -0.644 1.00 0.00 C ATOM 65 O PHE A 5 -5.213 11.805 -0.850 1.00 0.00 O ATOM 66 CB PHE A 5 -4.055 9.510 -2.746 1.00 0.00 C ATOM 67 CG PHE A 5 -2.694 9.204 -2.109 1.00 0.00 C ATOM 68 CD1 PHE A 5 -2.449 7.969 -1.506 1.00 0.00 C ATOM 69 CD2 PHE A 5 -1.666 10.146 -2.110 1.00 0.00 C ATOM 70 CE1 PHE A 5 -1.227 7.693 -0.922 1.00 0.00 C ATOM 71 CE2 PHE A 5 -0.446 9.867 -1.532 1.00 0.00 C ATOM 72 CZ PHE A 5 -0.225 8.641 -0.939 1.00 0.00 C ATOM 0 HA PHE A 5 -5.319 8.590 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.268 8.752 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.992 10.466 -3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.225 7.218 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.828 11.109 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.057 6.735 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.338 10.609 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.732 8.424 -0.488 1.00 0.00 H new ATOM 82 N GLU A 6 -4.545 10.126 0.522 1.00 0.00 N ATOM 83 CA GLU A 6 -4.161 10.959 1.670 1.00 0.00 C ATOM 84 C GLU A 6 -2.943 10.305 2.373 1.00 0.00 C ATOM 85 O GLU A 6 -2.734 9.088 2.218 1.00 0.00 O ATOM 86 CB GLU A 6 -5.375 11.122 2.638 1.00 0.00 C ATOM 87 CG GLU A 6 -5.832 9.821 3.331 1.00 0.00 C ATOM 88 CD GLU A 6 -7.151 9.957 4.109 1.00 0.00 C ATOM 89 OE1 GLU A 6 -7.242 10.838 4.987 1.00 0.00 O ATOM 90 OE2 GLU A 6 -8.108 9.193 3.839 1.00 0.00 O ATOM 0 H GLU A 6 -4.437 9.127 0.698 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.875 11.958 1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.115 11.853 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.215 11.533 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.945 9.041 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.050 9.492 4.016 1.00 0.00 H new ATOM 97 N PRO A 7 -2.086 11.097 3.104 1.00 0.00 N ATOM 98 CA PRO A 7 -0.964 10.541 3.902 1.00 0.00 C ATOM 99 C PRO A 7 -1.436 9.520 4.961 1.00 0.00 C ATOM 100 O PRO A 7 -1.963 9.900 6.011 1.00 0.00 O ATOM 101 CB PRO A 7 -0.319 11.797 4.561 1.00 0.00 C ATOM 102 CG PRO A 7 -0.724 12.938 3.678 1.00 0.00 C ATOM 103 CD PRO A 7 -2.101 12.583 3.157 1.00 0.00 C ATOM 0 HA PRO A 7 -0.264 9.979 3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.678 11.938 5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.766 11.703 4.615 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.745 13.875 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.017 13.069 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.886 12.952 3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.281 13.017 2.173 1.00 0.00 H new ATOM 111 N GLY A 8 -1.265 8.221 4.651 1.00 0.00 N ATOM 112 CA GLY A 8 -1.635 7.133 5.566 1.00 0.00 C ATOM 113 C GLY A 8 -2.703 6.196 5.013 1.00 0.00 C ATOM 114 O GLY A 8 -2.905 5.105 5.563 1.00 0.00 O ATOM 0 H GLY A 8 -0.870 7.902 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.744 6.552 5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.993 7.564 6.501 1.00 0.00 H new ATOM 118 N HIS A 9 -3.393 6.608 3.923 1.00 0.00 N ATOM 119 CA HIS A 9 -4.519 5.833 3.356 1.00 0.00 C ATOM 120 C HIS A 9 -4.781 6.184 1.869 1.00 0.00 C ATOM 121 O HIS A 9 -5.028 7.336 1.525 1.00 0.00 O ATOM 122 CB HIS A 9 -5.792 6.079 4.219 1.00 0.00 C ATOM 123 CG HIS A 9 -7.066 5.487 3.674 1.00 0.00 C ATOM 124 ND1 HIS A 9 -8.050 6.253 3.097 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.522 4.210 3.637 1.00 0.00 C ATOM 126 CE1 HIS A 9 -9.049 5.485 2.736 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.762 4.235 3.047 1.00 0.00 N ATOM 0 H HIS A 9 -3.189 7.472 3.420 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.256 4.775 3.382 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.619 5.672 5.215 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.931 7.154 4.333 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -8.009 7.264 2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.005 3.335 4.004 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.959 5.821 2.261 1.00 0.00 H new ATOM 136 N LEU A 10 -4.721 5.163 1.002 1.00 0.00 N ATOM 137 CA LEU A 10 -5.172 5.228 -0.398 1.00 0.00 C ATOM 138 C LEU A 10 -6.540 4.520 -0.515 1.00 0.00 C ATOM 139 O LEU A 10 -6.668 3.348 -0.165 1.00 0.00 O ATOM 140 CB LEU A 10 -4.121 4.550 -1.329 1.00 0.00 C ATOM 141 CG LEU A 10 -4.510 4.398 -2.841 1.00 0.00 C ATOM 142 CD1 LEU A 10 -4.844 5.764 -3.485 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.396 3.670 -3.630 1.00 0.00 C ATOM 0 H LEU A 10 -4.350 4.248 1.259 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.277 6.268 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.196 5.124 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.905 3.558 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.412 3.787 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.109 5.618 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.683 6.219 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.976 6.420 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.691 3.578 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.470 4.241 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.241 2.677 -3.208 1.00 0.00 H new ATOM 155 N HIS A 11 -7.567 5.246 -0.967 1.00 0.00 N ATOM 156 CA HIS A 11 -8.896 4.668 -1.250 1.00 0.00 C ATOM 157 C HIS A 11 -9.031 4.416 -2.762 1.00 0.00 C ATOM 158 O HIS A 11 -8.881 5.350 -3.565 1.00 0.00 O ATOM 159 CB HIS A 11 -10.013 5.628 -0.761 1.00 0.00 C ATOM 160 CG HIS A 11 -11.424 5.094 -0.864 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.530 5.912 -0.908 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.908 3.825 -0.885 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.621 5.179 -0.935 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.274 3.910 -0.924 1.00 0.00 N ATOM 0 H HIS A 11 -7.507 6.248 -1.148 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.999 3.722 -0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.816 5.886 0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.950 6.552 -1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.323 2.917 -0.873 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.633 5.556 -0.962 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -13.917 3.119 -0.942 1.00 0.00 H new ATOM 173 N LEU A 12 -9.289 3.153 -3.134 1.00 0.00 N ATOM 174 CA LEU A 12 -9.620 2.772 -4.511 1.00 0.00 C ATOM 175 C LEU A 12 -11.143 2.629 -4.639 1.00 0.00 C ATOM 176 O LEU A 12 -11.806 2.136 -3.729 1.00 0.00 O ATOM 177 CB LEU A 12 -8.939 1.433 -4.910 1.00 0.00 C ATOM 178 CG LEU A 12 -7.376 1.397 -4.847 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.821 0.040 -5.358 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.750 2.587 -5.615 1.00 0.00 C ATOM 0 H LEU A 12 -9.273 2.367 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.253 3.549 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.325 0.648 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.245 1.184 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.089 1.497 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.733 0.048 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.211 -0.769 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.129 -0.113 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.663 2.530 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.054 2.545 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.091 3.524 -5.175 1.00 0.00 H new ATOM 192 N VAL A 13 -11.675 3.148 -5.740 1.00 0.00 N ATOM 193 CA VAL A 13 -13.046 2.894 -6.248 1.00 0.00 C ATOM 194 C VAL A 13 -12.889 2.796 -7.781 1.00 0.00 C ATOM 195 O VAL A 13 -11.790 3.050 -8.291 1.00 0.00 O ATOM 196 CB VAL A 13 -14.063 4.057 -5.862 1.00 0.00 C ATOM 197 CG1 VAL A 13 -15.505 3.797 -6.361 1.00 0.00 C ATOM 198 CG2 VAL A 13 -14.082 4.320 -4.344 1.00 0.00 C ATOM 0 H VAL A 13 -11.152 3.787 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.464 1.989 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.691 4.944 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.147 4.626 -6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.504 3.709 -7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.881 2.873 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.788 5.120 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.386 3.413 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.086 4.613 -4.013 1.00 0.00 H new ATOM 307 N GLN A 21 -17.052 -1.818 -13.905 1.00 0.00 N ATOM 308 CA GLN A 21 -17.014 -2.819 -12.808 1.00 0.00 C ATOM 309 C GLN A 21 -16.989 -2.092 -11.451 1.00 0.00 C ATOM 310 O GLN A 21 -16.555 -0.950 -11.381 1.00 0.00 O ATOM 311 CB GLN A 21 -15.775 -3.731 -12.978 1.00 0.00 C ATOM 312 CG GLN A 21 -15.653 -4.878 -11.961 1.00 0.00 C ATOM 313 CD GLN A 21 -14.404 -5.738 -12.164 1.00 0.00 C ATOM 314 OE1 GLN A 21 -13.924 -5.928 -13.283 1.00 0.00 O ATOM 315 NE2 GLN A 21 -13.846 -6.233 -11.079 1.00 0.00 N ATOM 0 HA GLN A 21 -17.905 -3.446 -12.845 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.795 -4.158 -13.981 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.879 -3.114 -12.912 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.639 -4.461 -10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.537 -5.512 -12.031 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.265 -6.060 -10.165 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.994 -6.790 -11.152 1.00 0.00 H new ATOM 324 N ASP A 22 -17.449 -2.759 -10.373 1.00 0.00 N ATOM 325 CA ASP A 22 -17.610 -2.125 -9.043 1.00 0.00 C ATOM 326 C ASP A 22 -16.474 -2.550 -8.092 1.00 0.00 C ATOM 327 O ASP A 22 -16.674 -3.323 -7.146 1.00 0.00 O ATOM 328 CB ASP A 22 -19.008 -2.474 -8.456 1.00 0.00 C ATOM 329 CG ASP A 22 -19.365 -1.649 -7.200 1.00 0.00 C ATOM 330 OD1 ASP A 22 -19.857 -0.510 -7.348 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.137 -2.121 -6.067 1.00 0.00 O ATOM 0 H ASP A 22 -17.718 -3.743 -10.396 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.548 -1.043 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.767 -2.307 -9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.035 -3.535 -8.206 1.00 0.00 H new ATOM 336 N ILE A 23 -15.254 -2.073 -8.381 1.00 0.00 N ATOM 337 CA ILE A 23 -14.099 -2.290 -7.483 1.00 0.00 C ATOM 338 C ILE A 23 -14.070 -1.139 -6.486 1.00 0.00 C ATOM 339 O ILE A 23 -14.302 0.013 -6.868 1.00 0.00 O ATOM 340 CB ILE A 23 -12.710 -2.473 -8.251 1.00 0.00 C ATOM 341 CG1 ILE A 23 -11.906 -1.150 -8.578 1.00 0.00 C ATOM 342 CG2 ILE A 23 -12.929 -3.321 -9.524 1.00 0.00 C ATOM 343 CD1 ILE A 23 -10.969 -0.629 -7.481 1.00 0.00 C ATOM 0 H ILE A 23 -15.038 -1.538 -9.222 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.228 -3.238 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.062 -2.990 -7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.315 -1.324 -9.477 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.624 -0.365 -8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.980 -3.445 -10.046 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.321 -4.300 -9.246 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.641 -2.818 -10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.476 0.281 -7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.546 -0.411 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.217 -1.385 -7.255 1.00 0.00 H new ATOM 355 N ASN A 24 -13.871 -1.464 -5.206 1.00 0.00 N ATOM 356 CA ASN A 24 -13.733 -0.465 -4.143 1.00 0.00 C ATOM 357 C ASN A 24 -12.946 -1.076 -2.962 1.00 0.00 C ATOM 358 O ASN A 24 -13.426 -1.964 -2.252 1.00 0.00 O ATOM 359 CB ASN A 24 -15.112 0.140 -3.747 1.00 0.00 C ATOM 360 CG ASN A 24 -16.160 -0.890 -3.335 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.367 -1.139 -2.157 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.821 -1.501 -4.316 1.00 0.00 N ATOM 0 H ASN A 24 -13.801 -2.427 -4.877 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.153 0.384 -4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.965 0.839 -2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.497 0.715 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.527 -2.203 -4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.621 -1.267 -5.288 1.00 0.00 H new ATOM 369 N ILE A 25 -11.720 -0.566 -2.772 1.00 0.00 N ATOM 370 CA ILE A 25 -10.701 -1.148 -1.882 1.00 0.00 C ATOM 371 C ILE A 25 -10.231 -0.096 -0.858 1.00 0.00 C ATOM 372 O ILE A 25 -10.115 1.092 -1.180 1.00 0.00 O ATOM 373 CB ILE A 25 -9.459 -1.664 -2.716 1.00 0.00 C ATOM 374 CG1 ILE A 25 -9.915 -2.672 -3.827 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.365 -2.288 -1.804 1.00 0.00 C ATOM 376 CD1 ILE A 25 -8.805 -3.172 -4.739 1.00 0.00 C ATOM 0 H ILE A 25 -11.401 0.281 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.148 -1.992 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.011 -0.799 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.384 -3.531 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.679 -2.193 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.531 -2.629 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.012 -1.539 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.784 -3.134 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.220 -3.863 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.349 -2.327 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.049 -3.685 -4.145 1.00 0.00 H new ATOM 388 N HIS A 26 -9.954 -0.552 0.368 1.00 0.00 N ATOM 389 CA HIS A 26 -9.385 0.276 1.439 1.00 0.00 C ATOM 390 C HIS A 26 -7.906 -0.109 1.574 1.00 0.00 C ATOM 391 O HIS A 26 -7.616 -1.233 1.984 1.00 0.00 O ATOM 392 CB HIS A 26 -10.101 0.008 2.800 1.00 0.00 C ATOM 393 CG HIS A 26 -11.604 -0.022 2.764 1.00 0.00 C ATOM 394 ND1 HIS A 26 -12.348 -0.762 3.649 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.497 0.580 1.949 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.625 -0.623 3.378 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.747 0.190 2.351 1.00 0.00 N ATOM 0 H HIS A 26 -10.120 -1.518 0.649 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.511 1.330 1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.748 -0.947 3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.790 0.776 3.508 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.966 -1.333 4.403 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -12.268 1.246 1.131 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.438 -1.096 3.909 1.00 0.00 H new ATOM 406 N ILE A 27 -6.983 0.795 1.209 1.00 0.00 N ATOM 407 CA ILE A 27 -5.536 0.564 1.379 1.00 0.00 C ATOM 408 C ILE A 27 -5.052 1.502 2.482 1.00 0.00 C ATOM 409 O ILE A 27 -5.021 2.715 2.295 1.00 0.00 O ATOM 410 CB ILE A 27 -4.717 0.806 0.051 1.00 0.00 C ATOM 411 CG1 ILE A 27 -5.232 -0.131 -1.091 1.00 0.00 C ATOM 412 CG2 ILE A 27 -3.189 0.618 0.280 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.517 0.024 -2.428 1.00 0.00 C ATOM 0 H ILE A 27 -7.213 1.697 0.792 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.372 -0.481 1.643 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.875 1.840 -0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.134 -1.166 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.295 0.056 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.657 0.792 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.844 1.328 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.995 -0.398 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.946 -0.668 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.636 1.046 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.457 -0.195 -2.301 1.00 0.00 H new ATOM 425 N ARG A 28 -4.716 0.940 3.640 1.00 0.00 N ATOM 426 CA ARG A 28 -4.261 1.714 4.804 1.00 0.00 C ATOM 427 C ARG A 28 -2.803 1.334 5.095 1.00 0.00 C ATOM 428 O ARG A 28 -2.514 0.166 5.368 1.00 0.00 O ATOM 429 CB ARG A 28 -5.214 1.437 6.012 1.00 0.00 C ATOM 430 CG ARG A 28 -5.095 2.420 7.210 1.00 0.00 C ATOM 431 CD ARG A 28 -3.906 2.139 8.148 1.00 0.00 C ATOM 432 NE ARG A 28 -3.988 0.795 8.752 1.00 0.00 N ATOM 433 CZ ARG A 28 -4.301 0.533 10.030 1.00 0.00 C ATOM 434 NH1 ARG A 28 -4.611 1.511 10.873 1.00 0.00 N ATOM 435 NH2 ARG A 28 -4.321 -0.717 10.452 1.00 0.00 N ATOM 0 H ARG A 28 -4.750 -0.066 3.804 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.296 2.786 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.242 1.458 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.024 0.427 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.005 3.435 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.017 2.380 7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.974 2.230 7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.880 2.891 8.937 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.790 -0.002 8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.614 2.479 10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.847 1.294 11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.099 -1.476 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.558 -0.924 11.422 1.00 0.00 H new ATOM 449 N TYR A 29 -1.892 2.328 5.034 1.00 0.00 N ATOM 450 CA TYR A 29 -0.454 2.114 5.269 1.00 0.00 C ATOM 451 C TYR A 29 0.032 2.987 6.443 1.00 0.00 C ATOM 452 O TYR A 29 -0.275 4.181 6.508 1.00 0.00 O ATOM 453 CB TYR A 29 0.370 2.357 3.965 1.00 0.00 C ATOM 454 CG TYR A 29 0.434 3.807 3.430 1.00 0.00 C ATOM 455 CD1 TYR A 29 -0.557 4.319 2.585 1.00 0.00 C ATOM 456 CD2 TYR A 29 1.501 4.652 3.764 1.00 0.00 C ATOM 457 CE1 TYR A 29 -0.485 5.618 2.102 1.00 0.00 C ATOM 458 CE2 TYR A 29 1.572 5.945 3.286 1.00 0.00 C ATOM 459 CZ TYR A 29 0.582 6.426 2.455 1.00 0.00 C ATOM 460 OH TYR A 29 0.655 7.728 1.994 1.00 0.00 O ATOM 0 H TYR A 29 -2.134 3.296 4.821 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.294 1.073 5.549 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.390 2.017 4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.045 1.725 3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.391 3.693 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.285 4.284 4.409 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.260 5.998 1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.402 6.579 3.562 1.00 0.00 H new ATOM 0 HH TYR A 29 0.158 7.806 1.153 1.00 0.00 H new ATOM 470 N GLU A 30 0.769 2.370 7.383 1.00 0.00 N ATOM 471 CA GLU A 30 1.348 3.067 8.551 1.00 0.00 C ATOM 472 C GLU A 30 2.840 2.732 8.676 1.00 0.00 C ATOM 473 O GLU A 30 3.203 1.557 8.780 1.00 0.00 O ATOM 474 CB GLU A 30 0.638 2.680 9.884 1.00 0.00 C ATOM 475 CG GLU A 30 -0.834 3.119 10.004 1.00 0.00 C ATOM 476 CD GLU A 30 -1.376 2.979 11.438 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.813 1.876 11.819 1.00 0.00 O ATOM 478 OE2 GLU A 30 -1.329 3.966 12.201 1.00 0.00 O ATOM 0 H GLU A 30 0.982 1.373 7.357 1.00 0.00 H new ATOM 0 HA GLU A 30 1.205 4.135 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.687 1.597 10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.197 3.115 10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.928 4.157 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.445 2.520 9.328 1.00 0.00 H new ATOM 485 N VAL A 31 3.690 3.766 8.661 1.00 0.00 N ATOM 486 CA VAL A 31 5.128 3.615 8.921 1.00 0.00 C ATOM 487 C VAL A 31 5.349 3.294 10.416 1.00 0.00 C ATOM 488 O VAL A 31 4.885 4.037 11.287 1.00 0.00 O ATOM 489 CB VAL A 31 5.919 4.912 8.507 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.441 4.750 8.736 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.615 5.293 7.034 1.00 0.00 C ATOM 0 H VAL A 31 3.403 4.726 8.470 1.00 0.00 H new ATOM 0 HA VAL A 31 5.510 2.792 8.317 1.00 0.00 H new ATOM 0 HB VAL A 31 5.579 5.725 9.148 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.953 5.665 8.439 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.631 4.554 9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.812 3.917 8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.172 6.192 6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.912 4.475 6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.547 5.480 6.920 1.00 0.00 H new ATOM 501 N ARG A 32 6.045 2.180 10.686 1.00 0.00 N ATOM 502 CA ARG A 32 6.271 1.655 12.049 1.00 0.00 C ATOM 503 C ARG A 32 7.664 0.990 12.115 1.00 0.00 C ATOM 504 O ARG A 32 8.280 0.730 11.079 1.00 0.00 O ATOM 505 CB ARG A 32 5.155 0.623 12.406 1.00 0.00 C ATOM 506 CG ARG A 32 5.195 0.074 13.860 1.00 0.00 C ATOM 507 CD ARG A 32 4.447 -1.255 14.010 1.00 0.00 C ATOM 508 NE ARG A 32 4.611 -1.841 15.355 1.00 0.00 N ATOM 509 CZ ARG A 32 4.497 -3.149 15.653 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.269 -4.047 14.699 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.643 -3.552 16.905 1.00 0.00 N ATOM 0 H ARG A 32 6.474 1.608 9.958 1.00 0.00 H new ATOM 0 HA ARG A 32 6.233 2.471 12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.185 1.090 12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.227 -0.218 11.716 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.233 -0.061 14.165 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.758 0.810 14.534 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.387 -1.097 13.812 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.810 -1.960 13.262 1.00 0.00 H new ATOM 0 HE ARG A 32 4.828 -1.203 16.121 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.178 -3.748 13.728 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.185 -5.035 14.938 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.841 -2.873 17.640 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.557 -4.542 17.135 1.00 0.00 H new ATOM 525 N GLN A 33 8.165 0.734 13.334 1.00 0.00 N ATOM 526 CA GLN A 33 9.426 0.009 13.566 1.00 0.00 C ATOM 527 C GLN A 33 9.112 -1.323 14.281 1.00 0.00 C ATOM 528 O GLN A 33 8.585 -1.311 15.395 1.00 0.00 O ATOM 529 CB GLN A 33 10.399 0.852 14.449 1.00 0.00 C ATOM 530 CG GLN A 33 10.593 2.325 14.031 1.00 0.00 C ATOM 531 CD GLN A 33 11.258 2.513 12.669 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.481 2.536 12.564 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.463 2.709 11.627 1.00 0.00 N ATOM 0 H GLN A 33 7.702 1.027 14.195 1.00 0.00 H new ATOM 0 HA GLN A 33 9.907 -0.178 12.606 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.034 0.832 15.476 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.374 0.364 14.447 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.620 2.817 14.018 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.195 2.828 14.788 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.450 2.684 11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.864 2.885 10.706 1.00 0.00 H new ATOM 542 N ASN A 34 9.384 -2.455 13.616 1.00 0.00 N ATOM 543 CA ASN A 34 9.332 -3.808 14.249 1.00 0.00 C ATOM 544 C ASN A 34 10.756 -4.293 14.572 1.00 0.00 C ATOM 545 O ASN A 34 11.698 -3.972 13.852 1.00 0.00 O ATOM 546 CB ASN A 34 8.577 -4.867 13.367 1.00 0.00 C ATOM 547 CG ASN A 34 9.241 -5.295 12.040 1.00 0.00 C ATOM 548 OD1 ASN A 34 9.043 -6.420 11.585 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.024 -4.445 11.404 1.00 0.00 N ATOM 0 H ASN A 34 9.646 -2.474 12.630 1.00 0.00 H new ATOM 0 HA ASN A 34 8.761 -3.708 15.172 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.426 -5.762 13.971 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.589 -4.469 13.135 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.470 -4.719 10.529 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.184 -3.513 11.788 1.00 0.00 H new ATOM 556 N ALA A 35 10.898 -5.071 15.654 1.00 0.00 N ATOM 557 CA ALA A 35 12.199 -5.648 16.068 1.00 0.00 C ATOM 558 C ALA A 35 12.681 -6.722 15.066 1.00 0.00 C ATOM 559 O ALA A 35 13.885 -6.953 14.918 1.00 0.00 O ATOM 560 CB ALA A 35 12.082 -6.233 17.484 1.00 0.00 C ATOM 0 H ALA A 35 10.123 -5.321 16.268 1.00 0.00 H new ATOM 0 HA ALA A 35 12.944 -4.852 16.075 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.041 -6.656 17.783 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.800 -5.444 18.181 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.322 -7.015 17.493 1.00 0.00 H new ATOM 566 N GLU A 36 11.713 -7.340 14.371 1.00 0.00 N ATOM 567 CA GLU A 36 11.958 -8.428 13.413 1.00 0.00 C ATOM 568 C GLU A 36 12.740 -7.948 12.167 1.00 0.00 C ATOM 569 O GLU A 36 13.804 -8.494 11.840 1.00 0.00 O ATOM 570 CB GLU A 36 10.594 -9.030 12.981 1.00 0.00 C ATOM 571 CG GLU A 36 10.684 -10.115 11.891 1.00 0.00 C ATOM 572 CD GLU A 36 9.318 -10.548 11.346 1.00 0.00 C ATOM 573 OE1 GLU A 36 8.826 -9.912 10.388 1.00 0.00 O ATOM 574 OE2 GLU A 36 8.724 -11.515 11.878 1.00 0.00 O ATOM 0 H GLU A 36 10.727 -7.095 14.460 1.00 0.00 H new ATOM 0 HA GLU A 36 12.573 -9.182 13.905 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.106 -9.455 13.858 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.955 -8.224 12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.293 -9.742 11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.197 -10.986 12.298 1.00 0.00 H new ATOM 581 N SER A 37 12.210 -6.910 11.499 1.00 0.00 N ATOM 582 CA SER A 37 12.686 -6.474 10.167 1.00 0.00 C ATOM 583 C SER A 37 13.193 -5.011 10.180 1.00 0.00 C ATOM 584 O SER A 37 13.548 -4.473 9.125 1.00 0.00 O ATOM 585 CB SER A 37 11.535 -6.646 9.140 1.00 0.00 C ATOM 586 OG SER A 37 11.037 -7.979 9.137 1.00 0.00 O ATOM 0 H SER A 37 11.441 -6.348 11.863 1.00 0.00 H new ATOM 0 HA SER A 37 13.535 -7.096 9.883 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.727 -5.955 9.378 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.893 -6.387 8.143 1.00 0.00 H new ATOM 0 HG SER A 37 10.312 -8.056 8.482 1.00 0.00 H new ATOM 592 N GLY A 38 13.221 -4.372 11.369 1.00 0.00 N ATOM 593 CA GLY A 38 13.727 -2.994 11.512 1.00 0.00 C ATOM 594 C GLY A 38 12.649 -1.952 11.228 1.00 0.00 C ATOM 595 O GLY A 38 11.527 -2.073 11.721 1.00 0.00 O ATOM 0 H GLY A 38 12.899 -4.790 12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.110 -2.852 12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.564 -2.843 10.830 1.00 0.00 H new ATOM 599 N ALA A 39 12.986 -0.915 10.450 1.00 0.00 N ATOM 600 CA ALA A 39 12.003 0.049 9.938 1.00 0.00 C ATOM 601 C ALA A 39 11.186 -0.609 8.828 1.00 0.00 C ATOM 602 O ALA A 39 11.746 -1.382 8.037 1.00 0.00 O ATOM 603 CB ALA A 39 12.707 1.307 9.410 1.00 0.00 C ATOM 0 H ALA A 39 13.944 -0.721 10.159 1.00 0.00 H new ATOM 0 HA ALA A 39 11.338 0.349 10.748 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.963 2.010 9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.272 1.773 10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.386 1.032 8.603 1.00 0.00 H new ATOM 609 N TYR A 40 9.877 -0.319 8.775 1.00 0.00 N ATOM 610 CA TYR A 40 8.994 -0.863 7.727 1.00 0.00 C ATOM 611 C TYR A 40 7.704 -0.039 7.620 1.00 0.00 C ATOM 612 O TYR A 40 7.511 0.941 8.350 1.00 0.00 O ATOM 613 CB TYR A 40 8.682 -2.374 8.004 1.00 0.00 C ATOM 614 CG TYR A 40 7.571 -2.665 9.027 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.727 -2.365 10.381 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.366 -3.262 8.632 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.728 -2.650 11.292 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.377 -3.536 9.539 1.00 0.00 C ATOM 619 CZ TYR A 40 5.558 -3.234 10.864 1.00 0.00 C ATOM 620 OH TYR A 40 4.572 -3.545 11.772 1.00 0.00 O ATOM 0 H TYR A 40 9.405 0.289 9.444 1.00 0.00 H new ATOM 0 HA TYR A 40 9.510 -0.795 6.769 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.409 -2.846 7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.598 -2.855 8.348 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.642 -1.903 10.722 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.214 -3.511 7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.865 -2.415 12.337 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.454 -3.990 9.210 1.00 0.00 H new ATOM 0 HH TYR A 40 3.990 -4.239 11.398 1.00 0.00 H new ATOM 630 N VAL A 41 6.838 -0.433 6.674 1.00 0.00 N ATOM 631 CA VAL A 41 5.470 0.098 6.557 1.00 0.00 C ATOM 632 C VAL A 41 4.485 -1.094 6.555 1.00 0.00 C ATOM 633 O VAL A 41 4.712 -2.097 5.868 1.00 0.00 O ATOM 634 CB VAL A 41 5.273 0.983 5.265 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.886 1.673 5.253 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.401 2.033 5.106 1.00 0.00 C ATOM 0 H VAL A 41 7.067 -1.131 5.966 1.00 0.00 H new ATOM 0 HA VAL A 41 5.278 0.753 7.407 1.00 0.00 H new ATOM 0 HB VAL A 41 5.324 0.306 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.786 2.274 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.103 0.915 5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.792 2.316 6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.227 2.620 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.409 2.693 5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.362 1.525 5.028 1.00 0.00 H new ATOM 646 N HIS A 42 3.424 -0.987 7.364 1.00 0.00 N ATOM 647 CA HIS A 42 2.354 -1.994 7.474 1.00 0.00 C ATOM 648 C HIS A 42 1.227 -1.618 6.504 1.00 0.00 C ATOM 649 O HIS A 42 0.765 -0.486 6.526 1.00 0.00 O ATOM 650 CB HIS A 42 1.837 -2.033 8.946 1.00 0.00 C ATOM 651 CG HIS A 42 0.568 -2.831 9.174 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.558 -4.160 9.511 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.734 -2.465 9.098 1.00 0.00 C ATOM 654 CE1 HIS A 42 -0.683 -4.578 9.623 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.487 -3.568 9.379 1.00 0.00 N ATOM 0 H HIS A 42 3.280 -0.183 7.974 1.00 0.00 H new ATOM 0 HA HIS A 42 2.727 -2.985 7.215 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.623 -2.447 9.577 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.666 -1.009 9.279 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.108 -1.480 8.859 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.990 -5.583 9.873 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.506 -3.603 9.397 1.00 0.00 H new ATOM 664 N PHE A 43 0.777 -2.572 5.673 1.00 0.00 N ATOM 665 CA PHE A 43 -0.265 -2.331 4.647 1.00 0.00 C ATOM 666 C PHE A 43 -1.493 -3.222 4.908 1.00 0.00 C ATOM 667 O PHE A 43 -1.351 -4.373 5.343 1.00 0.00 O ATOM 668 CB PHE A 43 0.291 -2.615 3.229 1.00 0.00 C ATOM 669 CG PHE A 43 1.611 -1.910 2.918 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.628 -0.587 2.507 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.831 -2.581 3.028 1.00 0.00 C ATOM 672 CE1 PHE A 43 2.815 0.049 2.215 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.016 -1.944 2.738 1.00 0.00 C ATOM 674 CZ PHE A 43 4.010 -0.628 2.330 1.00 0.00 C ATOM 0 H PHE A 43 1.121 -3.532 5.689 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.564 -1.285 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.431 -3.690 3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.452 -2.311 2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.698 -0.046 2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.845 -3.613 3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.809 1.081 1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.951 -2.476 2.830 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.940 -0.128 2.101 1.00 0.00 H new ATOM 684 N ASP A 44 -2.694 -2.672 4.646 1.00 0.00 N ATOM 685 CA ASP A 44 -3.976 -3.405 4.727 1.00 0.00 C ATOM 686 C ASP A 44 -4.771 -3.171 3.441 1.00 0.00 C ATOM 687 O ASP A 44 -4.742 -2.069 2.895 1.00 0.00 O ATOM 688 CB ASP A 44 -4.828 -2.925 5.937 1.00 0.00 C ATOM 689 CG ASP A 44 -4.125 -3.128 7.289 1.00 0.00 C ATOM 690 OD1 ASP A 44 -3.932 -4.293 7.708 1.00 0.00 O ATOM 691 OD2 ASP A 44 -3.736 -2.128 7.930 1.00 0.00 O ATOM 0 H ASP A 44 -2.805 -1.697 4.369 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.754 -4.464 4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.063 -1.868 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.776 -3.464 5.943 1.00 0.00 H new ATOM 696 N MET A 45 -5.455 -4.219 2.953 1.00 0.00 N ATOM 697 CA MET A 45 -6.423 -4.125 1.841 1.00 0.00 C ATOM 698 C MET A 45 -7.699 -4.880 2.232 1.00 0.00 C ATOM 699 O MET A 45 -7.627 -6.047 2.594 1.00 0.00 O ATOM 700 CB MET A 45 -5.843 -4.726 0.524 1.00 0.00 C ATOM 701 CG MET A 45 -4.655 -3.953 -0.074 1.00 0.00 C ATOM 702 SD MET A 45 -4.064 -4.656 -1.631 1.00 0.00 S ATOM 703 CE MET A 45 -5.516 -4.497 -2.674 1.00 0.00 C ATOM 0 H MET A 45 -5.353 -5.165 3.321 1.00 0.00 H new ATOM 0 HA MET A 45 -6.641 -3.073 1.659 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.529 -5.752 0.717 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.639 -4.771 -0.219 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.949 -2.917 -0.239 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.837 -3.941 0.646 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.404 -5.131 -3.553 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.400 -4.804 -2.116 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.627 -3.459 -2.987 1.00 0.00 H new ATOM 713 N ASP A 46 -8.865 -4.234 2.107 1.00 0.00 N ATOM 714 CA ASP A 46 -10.166 -4.865 2.441 1.00 0.00 C ATOM 715 C ASP A 46 -11.313 -4.108 1.777 1.00 0.00 C ATOM 716 O ASP A 46 -11.149 -2.962 1.363 1.00 0.00 O ATOM 717 CB ASP A 46 -10.389 -4.950 3.982 1.00 0.00 C ATOM 718 CG ASP A 46 -10.562 -3.582 4.670 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.572 -2.819 4.771 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.683 -3.258 5.117 1.00 0.00 O ATOM 0 H ASP A 46 -8.943 -3.272 1.777 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.145 -5.884 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.273 -5.557 4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.542 -5.467 4.433 1.00 0.00 H new ATOM 725 N GLY A 47 -12.468 -4.769 1.667 1.00 0.00 N ATOM 726 CA GLY A 47 -13.662 -4.173 1.077 1.00 0.00 C ATOM 727 C GLY A 47 -14.374 -5.168 0.191 1.00 0.00 C ATOM 728 O GLY A 47 -14.708 -6.258 0.656 1.00 0.00 O ATOM 0 H GLY A 47 -12.598 -5.730 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.334 -3.836 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.386 -3.293 0.496 1.00 0.00 H new ATOM 732 N GLU A 48 -14.571 -4.812 -1.093 1.00 0.00 N ATOM 733 CA GLU A 48 -15.266 -5.660 -2.082 1.00 0.00 C ATOM 734 C GLU A 48 -14.816 -5.284 -3.508 1.00 0.00 C ATOM 735 O GLU A 48 -14.250 -4.207 -3.719 1.00 0.00 O ATOM 736 CB GLU A 48 -16.805 -5.542 -1.896 1.00 0.00 C ATOM 737 CG GLU A 48 -17.354 -4.108 -2.003 1.00 0.00 C ATOM 738 CD GLU A 48 -18.766 -3.936 -1.430 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.752 -4.116 -2.168 1.00 0.00 O ATOM 740 OE2 GLU A 48 -18.899 -3.618 -0.224 1.00 0.00 O ATOM 0 H GLU A 48 -14.251 -3.923 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.000 -6.705 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.297 -6.162 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.072 -5.948 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.677 -3.431 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.360 -3.809 -3.051 1.00 0.00 H new ATOM 747 N ILE A 49 -15.092 -6.161 -4.502 1.00 0.00 N ATOM 748 CA ILE A 49 -14.536 -6.050 -5.871 1.00 0.00 C ATOM 749 C ILE A 49 -15.549 -6.801 -6.745 1.00 0.00 C ATOM 750 O ILE A 49 -15.699 -8.018 -6.555 1.00 0.00 O ATOM 751 CB ILE A 49 -13.087 -6.667 -6.104 1.00 0.00 C ATOM 752 CG1 ILE A 49 -11.968 -5.867 -5.360 1.00 0.00 C ATOM 753 CG2 ILE A 49 -12.761 -6.742 -7.628 1.00 0.00 C ATOM 754 CD1 ILE A 49 -10.559 -6.433 -5.512 1.00 0.00 C ATOM 0 H ILE A 49 -15.707 -6.965 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.397 -4.994 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.104 -7.673 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.972 -4.840 -5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.215 -5.828 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.767 -7.166 -7.767 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -13.497 -7.372 -8.127 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.791 -5.740 -8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.855 -5.810 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.530 -7.449 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.284 -6.446 -6.567 1.00 0.00 H new ATOM 766 N ASP A 50 -16.268 -6.091 -7.634 1.00 0.00 N ATOM 767 CA ASP A 50 -17.323 -6.683 -8.497 1.00 0.00 C ATOM 768 C ASP A 50 -18.406 -7.393 -7.623 1.00 0.00 C ATOM 769 O ASP A 50 -18.915 -8.471 -7.951 1.00 0.00 O ATOM 770 CB ASP A 50 -16.658 -7.629 -9.544 1.00 0.00 C ATOM 771 CG ASP A 50 -17.609 -8.171 -10.629 1.00 0.00 C ATOM 772 OD1 ASP A 50 -18.240 -7.358 -11.342 1.00 0.00 O ATOM 773 OD2 ASP A 50 -17.736 -9.410 -10.772 1.00 0.00 O ATOM 0 H ASP A 50 -16.139 -5.090 -7.779 1.00 0.00 H new ATOM 0 HA ASP A 50 -17.845 -5.902 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.844 -7.092 -10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.213 -8.473 -9.017 1.00 0.00 H new ATOM 778 N GLY A 51 -18.745 -6.743 -6.492 1.00 0.00 N ATOM 779 CA GLY A 51 -19.713 -7.277 -5.521 1.00 0.00 C ATOM 780 C GLY A 51 -19.093 -8.087 -4.385 1.00 0.00 C ATOM 781 O GLY A 51 -19.536 -7.986 -3.236 1.00 0.00 O ATOM 0 H GLY A 51 -18.356 -5.837 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.274 -6.446 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.429 -7.906 -6.050 1.00 0.00 H new ATOM 785 N LYS A 52 -18.069 -8.888 -4.708 1.00 0.00 N ATOM 786 CA LYS A 52 -17.501 -9.902 -3.800 1.00 0.00 C ATOM 787 C LYS A 52 -16.544 -9.272 -2.766 1.00 0.00 C ATOM 788 O LYS A 52 -15.646 -8.540 -3.163 1.00 0.00 O ATOM 789 CB LYS A 52 -16.747 -10.955 -4.650 1.00 0.00 C ATOM 790 CG LYS A 52 -17.631 -11.627 -5.730 1.00 0.00 C ATOM 791 CD LYS A 52 -16.920 -12.781 -6.469 1.00 0.00 C ATOM 792 CE LYS A 52 -17.786 -13.392 -7.587 1.00 0.00 C ATOM 793 NZ LYS A 52 -17.136 -14.567 -8.232 1.00 0.00 N ATOM 0 H LYS A 52 -17.605 -8.852 -5.615 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.313 -10.370 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.896 -10.477 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.347 -11.724 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.538 -12.009 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.940 -10.875 -6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.987 -12.413 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.657 -13.559 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.748 -13.694 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.988 -12.632 -8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.757 -14.942 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.230 -14.276 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.966 -15.305 -7.519 1.00 0.00 H new ATOM 807 N PRO A 53 -16.708 -9.560 -1.431 1.00 0.00 N ATOM 808 CA PRO A 53 -15.828 -9.012 -0.364 1.00 0.00 C ATOM 809 C PRO A 53 -14.474 -9.756 -0.223 1.00 0.00 C ATOM 810 O PRO A 53 -14.305 -10.865 -0.751 1.00 0.00 O ATOM 811 CB PRO A 53 -16.705 -9.176 0.897 1.00 0.00 C ATOM 812 CG PRO A 53 -17.480 -10.434 0.637 1.00 0.00 C ATOM 813 CD PRO A 53 -17.783 -10.425 -0.853 1.00 0.00 C ATOM 0 HA PRO A 53 -15.520 -7.987 -0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.097 -9.260 1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.366 -8.321 1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -16.902 -11.315 0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.398 -10.457 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -17.756 -11.431 -1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -18.775 -10.021 -1.057 1.00 0.00 H new ATOM 821 N PHE A 54 -13.506 -9.120 0.483 1.00 0.00 N ATOM 822 CA PHE A 54 -12.179 -9.718 0.783 1.00 0.00 C ATOM 823 C PHE A 54 -11.537 -9.034 2.011 1.00 0.00 C ATOM 824 O PHE A 54 -11.919 -7.909 2.374 1.00 0.00 O ATOM 825 CB PHE A 54 -11.220 -9.598 -0.440 1.00 0.00 C ATOM 826 CG PHE A 54 -10.812 -8.163 -0.813 1.00 0.00 C ATOM 827 CD1 PHE A 54 -11.702 -7.313 -1.464 1.00 0.00 C ATOM 828 CD2 PHE A 54 -9.541 -7.671 -0.507 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.337 -6.026 -1.798 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.178 -6.384 -0.845 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.078 -5.562 -1.487 1.00 0.00 C ATOM 0 H PHE A 54 -13.622 -8.179 0.860 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.337 -10.774 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.318 -10.173 -0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.699 -10.059 -1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.692 -7.667 -1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.832 -8.308 0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.040 -5.381 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.189 -6.021 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.796 -4.552 -1.747 1.00 0.00 H new ATOM 841 N SER A 55 -10.565 -9.730 2.636 1.00 0.00 N ATOM 842 CA SER A 55 -9.692 -9.155 3.680 1.00 0.00 C ATOM 843 C SER A 55 -8.261 -9.737 3.570 1.00 0.00 C ATOM 844 O SER A 55 -8.044 -10.935 3.797 1.00 0.00 O ATOM 845 CB SER A 55 -10.293 -9.412 5.085 1.00 0.00 C ATOM 846 OG SER A 55 -10.550 -10.793 5.308 1.00 0.00 O ATOM 0 H SER A 55 -10.363 -10.708 2.430 1.00 0.00 H new ATOM 0 HA SER A 55 -9.629 -8.077 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.606 -9.043 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.220 -8.848 5.192 1.00 0.00 H new ATOM 0 HG SER A 55 -9.806 -11.325 4.957 1.00 0.00 H new ATOM 852 N ASP A 56 -7.299 -8.871 3.205 1.00 0.00 N ATOM 853 CA ASP A 56 -5.864 -9.212 3.057 1.00 0.00 C ATOM 854 C ASP A 56 -5.003 -8.136 3.743 1.00 0.00 C ATOM 855 O ASP A 56 -5.430 -6.991 3.880 1.00 0.00 O ATOM 856 CB ASP A 56 -5.477 -9.295 1.553 1.00 0.00 C ATOM 857 CG ASP A 56 -6.223 -10.400 0.788 1.00 0.00 C ATOM 858 OD1 ASP A 56 -7.318 -10.139 0.251 1.00 0.00 O ATOM 859 OD2 ASP A 56 -5.715 -11.538 0.715 1.00 0.00 O ATOM 0 H ASP A 56 -7.497 -7.892 2.999 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.687 -10.181 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.682 -8.335 1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.404 -9.468 1.471 1.00 0.00 H new ATOM 864 N SER A 57 -3.790 -8.505 4.171 1.00 0.00 N ATOM 865 CA SER A 57 -2.819 -7.556 4.748 1.00 0.00 C ATOM 866 C SER A 57 -1.390 -8.069 4.517 1.00 0.00 C ATOM 867 O SER A 57 -1.136 -9.276 4.614 1.00 0.00 O ATOM 868 CB SER A 57 -3.110 -7.333 6.257 1.00 0.00 C ATOM 869 OG SER A 57 -3.131 -8.557 6.981 1.00 0.00 O ATOM 0 H SER A 57 -3.451 -9.466 4.129 1.00 0.00 H new ATOM 0 HA SER A 57 -2.917 -6.591 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.351 -6.675 6.679 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.069 -6.828 6.371 1.00 0.00 H new ATOM 0 HG SER A 57 -3.315 -8.375 7.926 1.00 0.00 H new ATOM 875 N PHE A 58 -0.467 -7.150 4.181 1.00 0.00 N ATOM 876 CA PHE A 58 0.955 -7.471 3.934 1.00 0.00 C ATOM 877 C PHE A 58 1.855 -6.379 4.532 1.00 0.00 C ATOM 878 O PHE A 58 1.446 -5.232 4.634 1.00 0.00 O ATOM 879 CB PHE A 58 1.226 -7.668 2.410 1.00 0.00 C ATOM 880 CG PHE A 58 0.843 -6.491 1.495 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.473 -6.327 1.054 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.798 -5.568 1.062 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.818 -5.279 0.218 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.451 -4.523 0.226 1.00 0.00 C ATOM 885 CZ PHE A 58 0.143 -4.379 -0.197 1.00 0.00 C ATOM 0 H PHE A 58 -0.685 -6.159 4.072 1.00 0.00 H new ATOM 0 HA PHE A 58 1.193 -8.413 4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.287 -7.876 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.683 -8.552 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.232 -7.028 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.823 -5.672 1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.841 -5.165 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.203 -3.818 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.127 -3.563 -0.851 1.00 0.00 H new ATOM 895 N GLU A 59 3.075 -6.756 4.949 1.00 0.00 N ATOM 896 CA GLU A 59 4.045 -5.841 5.582 1.00 0.00 C ATOM 897 C GLU A 59 5.395 -5.950 4.858 1.00 0.00 C ATOM 898 O GLU A 59 5.943 -7.048 4.724 1.00 0.00 O ATOM 899 CB GLU A 59 4.198 -6.185 7.094 1.00 0.00 C ATOM 900 CG GLU A 59 2.896 -6.026 7.906 1.00 0.00 C ATOM 901 CD GLU A 59 3.003 -6.512 9.366 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.947 -7.732 9.606 1.00 0.00 O ATOM 903 OE2 GLU A 59 3.105 -5.672 10.286 1.00 0.00 O ATOM 0 H GLU A 59 3.420 -7.711 4.856 1.00 0.00 H new ATOM 0 HA GLU A 59 3.685 -4.815 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.551 -7.212 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.965 -5.543 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.605 -4.976 7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.099 -6.578 7.408 1.00 0.00 H new ATOM 910 N LEU A 60 5.924 -4.808 4.398 1.00 0.00 N ATOM 911 CA LEU A 60 7.197 -4.743 3.648 1.00 0.00 C ATOM 912 C LEU A 60 8.211 -3.869 4.414 1.00 0.00 C ATOM 913 O LEU A 60 7.839 -2.783 4.878 1.00 0.00 O ATOM 914 CB LEU A 60 6.957 -4.163 2.228 1.00 0.00 C ATOM 915 CG LEU A 60 6.121 -5.050 1.251 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.707 -4.262 -0.017 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.904 -6.335 0.880 1.00 0.00 C ATOM 0 H LEU A 60 5.484 -3.898 4.533 1.00 0.00 H new ATOM 0 HA LEU A 60 7.599 -5.751 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.455 -3.201 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.927 -3.969 1.769 1.00 0.00 H new ATOM 0 HG LEU A 60 5.205 -5.343 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.127 -4.909 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.103 -3.402 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.600 -3.920 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.307 -6.941 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.842 -6.063 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.115 -6.906 1.784 1.00 0.00 H new ATOM 929 N PRO A 61 9.506 -4.325 4.557 1.00 0.00 N ATOM 930 CA PRO A 61 10.581 -3.524 5.199 1.00 0.00 C ATOM 931 C PRO A 61 10.913 -2.243 4.399 1.00 0.00 C ATOM 932 O PRO A 61 10.581 -2.156 3.222 1.00 0.00 O ATOM 933 CB PRO A 61 11.778 -4.510 5.256 1.00 0.00 C ATOM 934 CG PRO A 61 11.519 -5.475 4.145 1.00 0.00 C ATOM 935 CD PRO A 61 10.018 -5.655 4.110 1.00 0.00 C ATOM 0 HA PRO A 61 10.298 -3.151 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.727 -3.991 5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.829 -5.018 6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.891 -5.090 3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.024 -6.424 4.323 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.666 -5.907 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.693 -6.456 4.774 1.00 0.00 H new ATOM 943 N ARG A 62 11.524 -1.252 5.087 1.00 0.00 N ATOM 944 CA ARG A 62 11.927 0.068 4.518 1.00 0.00 C ATOM 945 C ARG A 62 12.555 -0.015 3.099 1.00 0.00 C ATOM 946 O ARG A 62 12.287 0.833 2.244 1.00 0.00 O ATOM 947 CB ARG A 62 12.911 0.801 5.486 1.00 0.00 C ATOM 948 CG ARG A 62 14.308 0.150 5.627 1.00 0.00 C ATOM 949 CD ARG A 62 15.270 0.935 6.537 1.00 0.00 C ATOM 950 NE ARG A 62 16.610 0.314 6.571 1.00 0.00 N ATOM 951 CZ ARG A 62 17.487 0.393 7.586 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.199 1.051 8.693 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.660 -0.209 7.486 1.00 0.00 N ATOM 0 H ARG A 62 11.759 -1.343 6.075 1.00 0.00 H new ATOM 0 HA ARG A 62 11.002 0.635 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.040 1.826 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.452 0.854 6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.190 -0.859 6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.755 0.054 4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.353 1.962 6.181 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.863 0.979 7.547 1.00 0.00 H new ATOM 0 HE ARG A 62 16.895 -0.222 5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.295 1.513 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.880 1.098 9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.895 -0.730 6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.329 -0.152 8.253 1.00 0.00 H new ATOM 967 N ASP A 63 13.361 -1.060 2.870 1.00 0.00 N ATOM 968 CA ASP A 63 14.123 -1.252 1.621 1.00 0.00 C ATOM 969 C ASP A 63 13.221 -1.614 0.419 1.00 0.00 C ATOM 970 O ASP A 63 13.570 -1.317 -0.728 1.00 0.00 O ATOM 971 CB ASP A 63 15.197 -2.349 1.854 1.00 0.00 C ATOM 972 CG ASP A 63 16.160 -2.545 0.669 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.027 -1.670 0.452 1.00 0.00 O ATOM 974 OD2 ASP A 63 16.066 -3.575 -0.038 1.00 0.00 O ATOM 0 H ASP A 63 13.506 -1.805 3.551 1.00 0.00 H new ATOM 0 HA ASP A 63 14.600 -0.306 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.776 -2.093 2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.696 -3.295 2.062 1.00 0.00 H new ATOM 979 N THR A 64 12.047 -2.214 0.689 1.00 0.00 N ATOM 980 CA THR A 64 11.153 -2.768 -0.352 1.00 0.00 C ATOM 981 C THR A 64 9.688 -2.309 -0.145 1.00 0.00 C ATOM 982 O THR A 64 8.789 -2.776 -0.855 1.00 0.00 O ATOM 983 CB THR A 64 11.220 -4.336 -0.384 1.00 0.00 C ATOM 984 OG1 THR A 64 10.984 -4.861 0.931 1.00 0.00 O ATOM 985 CG2 THR A 64 12.573 -4.850 -0.910 1.00 0.00 C ATOM 0 H THR A 64 11.688 -2.330 1.637 1.00 0.00 H new ATOM 0 HA THR A 64 11.503 -2.383 -1.310 1.00 0.00 H new ATOM 0 HB THR A 64 10.446 -4.681 -1.070 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.025 -5.840 0.905 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.572 -5.940 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.732 -4.484 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.375 -4.490 -0.265 1.00 0.00 H new ATOM 993 N ALA A 65 9.466 -1.366 0.800 1.00 0.00 N ATOM 994 CA ALA A 65 8.116 -0.864 1.162 1.00 0.00 C ATOM 995 C ALA A 65 7.419 -0.176 -0.026 1.00 0.00 C ATOM 996 O ALA A 65 6.218 -0.322 -0.235 1.00 0.00 O ATOM 997 CB ALA A 65 8.225 0.098 2.357 1.00 0.00 C ATOM 0 H ALA A 65 10.217 -0.930 1.335 1.00 0.00 H new ATOM 0 HA ALA A 65 7.501 -1.720 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.233 0.465 2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.656 -0.428 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.864 0.940 2.089 1.00 0.00 H new ATOM 1003 N PHE A 66 8.231 0.552 -0.793 1.00 0.00 N ATOM 1004 CA PHE A 66 7.791 1.353 -1.959 1.00 0.00 C ATOM 1005 C PHE A 66 7.299 0.484 -3.139 1.00 0.00 C ATOM 1006 O PHE A 66 6.620 0.990 -4.035 1.00 0.00 O ATOM 1007 CB PHE A 66 8.966 2.255 -2.419 1.00 0.00 C ATOM 1008 CG PHE A 66 9.721 2.896 -1.254 1.00 0.00 C ATOM 1009 CD1 PHE A 66 9.100 3.828 -0.427 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.030 2.519 -0.960 1.00 0.00 C ATOM 1011 CE1 PHE A 66 9.769 4.365 0.646 1.00 0.00 C ATOM 1012 CE2 PHE A 66 11.695 3.056 0.119 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.065 3.980 0.922 1.00 0.00 C ATOM 0 H PHE A 66 9.236 0.609 -0.626 1.00 0.00 H new ATOM 0 HA PHE A 66 6.939 1.956 -1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 66 9.661 1.661 -3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.581 3.040 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.084 4.131 -0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 66 11.530 1.796 -1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.278 5.092 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.709 2.753 0.335 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.585 4.404 1.768 1.00 0.00 H new ATOM 1023 N ASN A 67 7.599 -0.831 -3.095 1.00 0.00 N ATOM 1024 CA ASN A 67 7.149 -1.806 -4.118 1.00 0.00 C ATOM 1025 C ASN A 67 5.685 -2.232 -3.894 1.00 0.00 C ATOM 1026 O ASN A 67 5.140 -3.022 -4.675 1.00 0.00 O ATOM 1027 CB ASN A 67 8.068 -3.053 -4.116 1.00 0.00 C ATOM 1028 CG ASN A 67 9.497 -2.751 -4.564 1.00 0.00 C ATOM 1029 OD1 ASN A 67 9.821 -2.809 -5.746 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.354 -2.401 -3.622 1.00 0.00 N ATOM 0 H ASN A 67 8.159 -1.249 -2.352 1.00 0.00 H new ATOM 0 HA ASN A 67 7.211 -1.314 -5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.091 -3.477 -3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.641 -3.811 -4.773 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.316 -2.169 -3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.054 -2.362 -2.648 1.00 0.00 H new ATOM 1037 N PHE A 68 5.032 -1.646 -2.863 1.00 0.00 N ATOM 1038 CA PHE A 68 3.664 -1.999 -2.443 1.00 0.00 C ATOM 1039 C PHE A 68 2.622 -1.665 -3.516 1.00 0.00 C ATOM 1040 O PHE A 68 1.488 -2.092 -3.397 1.00 0.00 O ATOM 1041 CB PHE A 68 3.273 -1.305 -1.110 1.00 0.00 C ATOM 1042 CG PHE A 68 2.793 0.154 -1.242 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.676 1.174 -1.587 1.00 0.00 C ATOM 1044 CD2 PHE A 68 1.452 0.492 -1.012 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.240 2.477 -1.695 1.00 0.00 C ATOM 1046 CE2 PHE A 68 1.020 1.800 -1.121 1.00 0.00 C ATOM 1047 CZ PHE A 68 1.912 2.790 -1.462 1.00 0.00 C ATOM 0 H PHE A 68 5.449 -0.907 -2.296 1.00 0.00 H new ATOM 0 HA PHE A 68 3.668 -3.078 -2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.484 -1.888 -0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.134 -1.328 -0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.714 0.941 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.746 -0.281 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.937 3.257 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.016 2.045 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.576 3.813 -1.548 1.00 0.00 H new ATOM 1057 N ALA A 69 2.993 -0.855 -4.529 1.00 0.00 N ATOM 1058 CA ALA A 69 2.042 -0.428 -5.571 1.00 0.00 C ATOM 1059 C ALA A 69 1.766 -1.624 -6.489 1.00 0.00 C ATOM 1060 O ALA A 69 0.641 -1.841 -6.932 1.00 0.00 O ATOM 1061 CB ALA A 69 2.614 0.751 -6.371 1.00 0.00 C ATOM 0 H ALA A 69 3.937 -0.487 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 69 1.112 -0.093 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.898 1.053 -7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.803 1.589 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.547 0.449 -6.846 1.00 0.00 H new ATOM 1067 N SER A 70 2.831 -2.413 -6.718 1.00 0.00 N ATOM 1068 CA SER A 70 2.773 -3.656 -7.488 1.00 0.00 C ATOM 1069 C SER A 70 2.069 -4.749 -6.665 1.00 0.00 C ATOM 1070 O SER A 70 1.243 -5.486 -7.196 1.00 0.00 O ATOM 1071 CB SER A 70 4.199 -4.095 -7.866 1.00 0.00 C ATOM 1072 OG SER A 70 4.895 -3.042 -8.511 1.00 0.00 O ATOM 0 H SER A 70 3.764 -2.198 -6.367 1.00 0.00 H new ATOM 0 HA SER A 70 2.203 -3.492 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.740 -4.400 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.155 -4.964 -8.523 1.00 0.00 H new ATOM 0 HG SER A 70 5.799 -3.341 -8.741 1.00 0.00 H new ATOM 1078 N ASP A 71 2.382 -4.806 -5.347 1.00 0.00 N ATOM 1079 CA ASP A 71 1.798 -5.802 -4.414 1.00 0.00 C ATOM 1080 C ASP A 71 0.280 -5.596 -4.281 1.00 0.00 C ATOM 1081 O ASP A 71 -0.485 -6.534 -4.435 1.00 0.00 O ATOM 1082 CB ASP A 71 2.462 -5.722 -3.010 1.00 0.00 C ATOM 1083 CG ASP A 71 3.885 -6.292 -2.972 1.00 0.00 C ATOM 1084 OD1 ASP A 71 4.037 -7.511 -2.733 1.00 0.00 O ATOM 1085 OD2 ASP A 71 4.851 -5.541 -3.197 1.00 0.00 O ATOM 0 H ASP A 71 3.042 -4.167 -4.903 1.00 0.00 H new ATOM 0 HA ASP A 71 1.991 -6.791 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.488 -4.681 -2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.844 -6.262 -2.293 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.113 -4.351 -3.974 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.524 -3.920 -3.867 1.00 0.00 C ATOM 1092 C ALA A 72 -2.324 -4.230 -5.154 1.00 0.00 C ATOM 1093 O ALA A 72 -3.396 -4.833 -5.087 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.603 -2.422 -3.499 1.00 0.00 C ATOM 0 H ALA A 72 0.549 -3.598 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.988 -4.495 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.648 -2.120 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.108 -2.256 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.109 -1.831 -4.271 1.00 0.00 H new ATOM 1100 N THR A 73 -1.776 -3.846 -6.326 1.00 0.00 N ATOM 1101 CA THR A 73 -2.396 -4.144 -7.640 1.00 0.00 C ATOM 1102 C THR A 73 -2.432 -5.673 -7.918 1.00 0.00 C ATOM 1103 O THR A 73 -3.359 -6.167 -8.564 1.00 0.00 O ATOM 1104 CB THR A 73 -1.648 -3.382 -8.795 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.669 -1.968 -8.521 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.266 -3.625 -10.194 1.00 0.00 C ATOM 0 H THR A 73 -0.901 -3.326 -6.392 1.00 0.00 H new ATOM 0 HA THR A 73 -3.427 -3.791 -7.608 1.00 0.00 H new ATOM 0 HB THR A 73 -0.630 -3.771 -8.819 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.905 -1.733 -7.954 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.701 -3.070 -10.943 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.230 -4.689 -10.428 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.302 -3.287 -10.198 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.457 -6.412 -7.354 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.368 -7.882 -7.506 1.00 0.00 C ATOM 1116 C ARG A 74 -2.474 -8.571 -6.683 1.00 0.00 C ATOM 1117 O ARG A 74 -3.129 -9.488 -7.167 1.00 0.00 O ATOM 1118 CB ARG A 74 0.023 -8.411 -7.060 1.00 0.00 C ATOM 1119 CG ARG A 74 0.250 -9.931 -7.263 1.00 0.00 C ATOM 1120 CD ARG A 74 0.273 -10.343 -8.747 1.00 0.00 C ATOM 1121 NE ARG A 74 1.417 -9.749 -9.478 1.00 0.00 N ATOM 1122 CZ ARG A 74 1.655 -9.888 -10.790 1.00 0.00 C ATOM 1123 NH1 ARG A 74 0.812 -10.553 -11.571 1.00 0.00 N ATOM 1124 NH2 ARG A 74 2.737 -9.342 -11.320 1.00 0.00 N ATOM 0 H ARG A 74 -0.712 -6.012 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.502 -8.117 -8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.793 -7.869 -7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.161 -8.178 -6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.193 -10.217 -6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.539 -10.482 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.323 -11.429 -8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.658 -10.035 -9.222 1.00 0.00 H new ATOM 0 HE ARG A 74 2.077 -9.189 -8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.032 -10.967 -11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.008 -10.650 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.385 -8.819 -10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.923 -9.444 -12.318 1.00 0.00 H new ATOM 1138 N VAL A 75 -2.698 -8.057 -5.458 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.715 -8.564 -4.513 1.00 0.00 C ATOM 1140 C VAL A 75 -5.129 -8.214 -5.025 1.00 0.00 C ATOM 1141 O VAL A 75 -6.080 -8.988 -4.851 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.470 -7.985 -3.058 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -4.604 -8.347 -2.066 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -2.102 -8.461 -2.503 1.00 0.00 C ATOM 0 H VAL A 75 -2.170 -7.266 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.630 -9.649 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.465 -6.899 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.380 -7.923 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.548 -7.942 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.682 -9.431 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.953 -8.053 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.087 -9.550 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.303 -8.115 -3.159 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.232 -7.069 -5.724 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.499 -6.562 -6.270 1.00 0.00 C ATOM 1156 C ALA A 76 -6.945 -7.440 -7.456 1.00 0.00 C ATOM 1157 O ALA A 76 -8.092 -7.897 -7.527 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.324 -5.096 -6.705 1.00 0.00 C ATOM 0 H ALA A 76 -4.433 -6.468 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.272 -6.605 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.264 -4.722 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.034 -4.493 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.550 -5.033 -7.470 1.00 0.00 H new ATOM 1164 N GLN A 77 -5.999 -7.663 -8.388 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.220 -8.500 -9.595 1.00 0.00 C ATOM 1166 C GLN A 77 -6.351 -9.990 -9.239 1.00 0.00 C ATOM 1167 O GLN A 77 -7.050 -10.730 -9.930 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.111 -8.265 -10.652 1.00 0.00 C ATOM 1169 CG GLN A 77 -5.055 -6.819 -11.183 1.00 0.00 C ATOM 1170 CD GLN A 77 -4.122 -6.626 -12.374 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -2.941 -6.334 -12.211 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -4.650 -6.796 -13.581 1.00 0.00 N ATOM 0 H GLN A 77 -5.059 -7.271 -8.331 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.168 -8.191 -10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.145 -8.519 -10.215 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.270 -8.944 -11.490 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.060 -6.510 -11.469 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.737 -6.159 -10.376 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.636 -7.038 -13.677 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.069 -6.684 -14.412 1.00 0.00 H new ATOM 1181 N LYS A 78 -5.697 -10.404 -8.144 1.00 0.00 N ATOM 1182 CA LYS A 78 -5.858 -11.752 -7.559 1.00 0.00 C ATOM 1183 C LYS A 78 -7.330 -11.992 -7.152 1.00 0.00 C ATOM 1184 O LYS A 78 -7.816 -13.125 -7.201 1.00 0.00 O ATOM 1185 CB LYS A 78 -4.878 -11.908 -6.349 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.967 -13.227 -5.515 1.00 0.00 C ATOM 1187 CD LYS A 78 -5.878 -13.111 -4.263 1.00 0.00 C ATOM 1188 CE LYS A 78 -5.367 -12.071 -3.245 1.00 0.00 C ATOM 1189 NZ LYS A 78 -6.271 -11.953 -2.077 1.00 0.00 N ATOM 0 H LYS A 78 -5.038 -9.815 -7.634 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.607 -12.511 -8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.860 -11.817 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.043 -11.070 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.342 -14.026 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.964 -13.515 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.886 -12.840 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.946 -14.085 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.370 -12.354 -2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.275 -11.100 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.855 -11.098 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.887 -12.790 -2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.706 -11.888 -1.206 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.040 -10.908 -6.786 1.00 0.00 N ATOM 1204 CA HIS A 79 -9.448 -10.978 -6.355 1.00 0.00 C ATOM 1205 C HIS A 79 -10.400 -10.435 -7.455 1.00 0.00 C ATOM 1206 O HIS A 79 -11.546 -10.062 -7.174 1.00 0.00 O ATOM 1207 CB HIS A 79 -9.612 -10.221 -5.013 1.00 0.00 C ATOM 1208 CG HIS A 79 -10.930 -10.459 -4.325 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -11.942 -9.534 -4.305 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -11.403 -11.541 -3.667 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -12.975 -10.034 -3.677 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -12.681 -11.249 -3.273 1.00 0.00 N ATOM 0 H HIS A 79 -7.655 -9.963 -6.781 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.726 -12.020 -6.197 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.806 -10.517 -4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -9.498 -9.152 -5.196 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.872 -12.464 -3.486 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.917 -9.530 -3.517 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -13.301 -11.870 -2.753 1.00 0.00 H new ATOM 1221 N GLY A 80 -9.932 -10.412 -8.718 1.00 0.00 N ATOM 1222 CA GLY A 80 -10.821 -10.206 -9.863 1.00 0.00 C ATOM 1223 C GLY A 80 -10.979 -8.761 -10.263 1.00 0.00 C ATOM 1224 O GLY A 80 -12.081 -8.337 -10.589 1.00 0.00 O ATOM 0 H GLY A 80 -8.949 -10.533 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.437 -10.768 -10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.803 -10.617 -9.627 1.00 0.00 H new ATOM 1228 N LEU A 81 -9.873 -8.001 -10.225 1.00 0.00 N ATOM 1229 CA LEU A 81 -9.819 -6.636 -10.793 1.00 0.00 C ATOM 1230 C LEU A 81 -9.887 -6.752 -12.339 1.00 0.00 C ATOM 1231 O LEU A 81 -10.549 -5.945 -12.995 1.00 0.00 O ATOM 1232 CB LEU A 81 -8.502 -5.927 -10.336 1.00 0.00 C ATOM 1233 CG LEU A 81 -8.498 -4.374 -10.138 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -8.956 -3.622 -11.397 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -9.313 -3.982 -8.893 1.00 0.00 C ATOM 0 H LEU A 81 -8.996 -8.308 -9.804 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.658 -6.037 -10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.197 -6.379 -9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.730 -6.166 -11.068 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.466 -4.066 -9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.935 -2.549 -11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.287 -3.857 -12.225 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.971 -3.926 -11.653 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.297 -2.899 -8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.343 -4.319 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.877 -4.450 -8.011 1.00 0.00 H new ATOM 1466 N TYR A 95 4.280 6.713 -9.440 1.00 0.00 N ATOM 1467 CA TYR A 95 5.097 5.814 -8.615 1.00 0.00 C ATOM 1468 C TYR A 95 6.267 6.571 -7.969 1.00 0.00 C ATOM 1469 O TYR A 95 6.558 6.338 -6.811 1.00 0.00 O ATOM 1470 CB TYR A 95 5.612 4.624 -9.469 1.00 0.00 C ATOM 1471 CG TYR A 95 6.370 3.546 -8.666 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.679 2.604 -7.898 1.00 0.00 C ATOM 1473 CD2 TYR A 95 7.771 3.477 -8.664 1.00 0.00 C ATOM 1474 CE1 TYR A 95 6.351 1.644 -7.165 1.00 0.00 C ATOM 1475 CE2 TYR A 95 8.442 2.520 -7.931 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.730 1.607 -7.186 1.00 0.00 C ATOM 1477 OH TYR A 95 8.402 0.649 -6.458 1.00 0.00 O ATOM 0 HA TYR A 95 4.473 5.421 -7.812 1.00 0.00 H new ATOM 0 HB2 TYR A 95 4.764 4.158 -9.970 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.270 5.009 -10.248 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.599 2.627 -7.877 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.336 4.188 -9.248 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.799 0.925 -6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.521 2.487 -7.942 1.00 0.00 H new ATOM 0 HH TYR A 95 8.043 0.619 -5.546 1.00 0.00 H new ATOM 1487 N ASP A 96 6.909 7.481 -8.738 1.00 0.00 N ATOM 1488 CA ASP A 96 8.048 8.305 -8.257 1.00 0.00 C ATOM 1489 C ASP A 96 7.618 9.277 -7.141 1.00 0.00 C ATOM 1490 O ASP A 96 8.356 9.475 -6.171 1.00 0.00 O ATOM 1491 CB ASP A 96 8.698 9.110 -9.424 1.00 0.00 C ATOM 1492 CG ASP A 96 9.551 8.246 -10.370 1.00 0.00 C ATOM 1493 OD1 ASP A 96 10.694 7.901 -9.998 1.00 0.00 O ATOM 1494 OD2 ASP A 96 9.094 7.904 -11.484 1.00 0.00 O ATOM 0 H ASP A 96 6.654 7.666 -9.708 1.00 0.00 H new ATOM 0 HA ASP A 96 8.784 7.612 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.911 9.597 -10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.322 9.900 -9.006 1.00 0.00 H new ATOM 1499 N ALA A 97 6.420 9.873 -7.297 1.00 0.00 N ATOM 1500 CA ALA A 97 5.884 10.884 -6.351 1.00 0.00 C ATOM 1501 C ALA A 97 5.585 10.254 -4.975 1.00 0.00 C ATOM 1502 O ALA A 97 5.962 10.787 -3.930 1.00 0.00 O ATOM 1503 CB ALA A 97 4.621 11.541 -6.944 1.00 0.00 C ATOM 0 H ALA A 97 5.795 9.672 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 97 6.641 11.654 -6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.233 12.282 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.873 12.028 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.863 10.778 -7.121 1.00 0.00 H new ATOM 1509 N MET A 98 4.894 9.117 -5.013 1.00 0.00 N ATOM 1510 CA MET A 98 4.605 8.275 -3.832 1.00 0.00 C ATOM 1511 C MET A 98 5.894 7.680 -3.202 1.00 0.00 C ATOM 1512 O MET A 98 6.027 7.623 -1.975 1.00 0.00 O ATOM 1513 CB MET A 98 3.649 7.156 -4.299 1.00 0.00 C ATOM 1514 CG MET A 98 3.177 6.166 -3.228 1.00 0.00 C ATOM 1515 SD MET A 98 2.169 4.853 -3.950 1.00 0.00 S ATOM 1516 CE MET A 98 3.338 4.107 -5.090 1.00 0.00 C ATOM 0 H MET A 98 4.507 8.739 -5.878 1.00 0.00 H new ATOM 0 HA MET A 98 4.148 8.881 -3.050 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.770 7.622 -4.743 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.144 6.592 -5.089 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.041 5.730 -2.726 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.600 6.695 -2.469 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.845 3.916 -6.043 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.178 4.784 -5.245 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.702 3.167 -4.675 1.00 0.00 H new ATOM 1526 N PHE A 99 6.795 7.202 -4.080 1.00 0.00 N ATOM 1527 CA PHE A 99 8.141 6.679 -3.714 1.00 0.00 C ATOM 1528 C PHE A 99 8.899 7.661 -2.805 1.00 0.00 C ATOM 1529 O PHE A 99 9.384 7.276 -1.734 1.00 0.00 O ATOM 1530 CB PHE A 99 8.978 6.386 -4.996 1.00 0.00 C ATOM 1531 CG PHE A 99 10.389 5.824 -4.764 1.00 0.00 C ATOM 1532 CD1 PHE A 99 10.584 4.463 -4.557 1.00 0.00 C ATOM 1533 CD2 PHE A 99 11.512 6.656 -4.758 1.00 0.00 C ATOM 1534 CE1 PHE A 99 11.850 3.947 -4.344 1.00 0.00 C ATOM 1535 CE2 PHE A 99 12.777 6.139 -4.547 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.946 4.784 -4.341 1.00 0.00 C ATOM 0 H PHE A 99 6.613 7.164 -5.083 1.00 0.00 H new ATOM 0 HA PHE A 99 7.995 5.751 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.424 5.680 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.066 7.310 -5.568 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.733 3.798 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 99 11.390 7.717 -4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.980 2.887 -4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 99 13.634 6.796 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.934 4.381 -4.178 1.00 0.00 H new ATOM 1546 N GLU A 100 8.949 8.939 -3.231 1.00 0.00 N ATOM 1547 CA GLU A 100 9.708 9.981 -2.516 1.00 0.00 C ATOM 1548 C GLU A 100 8.935 10.462 -1.276 1.00 0.00 C ATOM 1549 O GLU A 100 9.540 10.896 -0.295 1.00 0.00 O ATOM 1550 CB GLU A 100 10.085 11.176 -3.426 1.00 0.00 C ATOM 1551 CG GLU A 100 8.897 12.025 -3.915 1.00 0.00 C ATOM 1552 CD GLU A 100 9.324 13.291 -4.670 1.00 0.00 C ATOM 1553 OE1 GLU A 100 9.619 14.317 -4.015 1.00 0.00 O ATOM 1554 OE2 GLU A 100 9.369 13.273 -5.918 1.00 0.00 O ATOM 0 H GLU A 100 8.471 9.273 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 100 10.644 9.525 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.775 11.823 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.622 10.796 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.269 11.417 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.286 12.310 -3.058 1.00 0.00 H new ATOM 1561 N ASP A 101 7.595 10.373 -1.345 1.00 0.00 N ATOM 1562 CA ASP A 101 6.693 10.758 -0.247 1.00 0.00 C ATOM 1563 C ASP A 101 6.908 9.868 0.992 1.00 0.00 C ATOM 1564 O ASP A 101 7.220 10.364 2.080 1.00 0.00 O ATOM 1565 CB ASP A 101 5.220 10.668 -0.721 1.00 0.00 C ATOM 1566 CG ASP A 101 4.197 10.925 0.398 1.00 0.00 C ATOM 1567 OD1 ASP A 101 4.014 12.099 0.782 1.00 0.00 O ATOM 1568 OD2 ASP A 101 3.581 9.956 0.909 1.00 0.00 O ATOM 0 H ASP A 101 7.105 10.029 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 101 6.920 11.786 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.060 11.390 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.043 9.679 -1.144 1.00 0.00 H new ATOM 1573 N ILE A 102 6.701 8.558 0.813 1.00 0.00 N ATOM 1574 CA ILE A 102 6.878 7.557 1.878 1.00 0.00 C ATOM 1575 C ILE A 102 8.354 7.486 2.347 1.00 0.00 C ATOM 1576 O ILE A 102 8.603 7.325 3.535 1.00 0.00 O ATOM 1577 CB ILE A 102 6.344 6.143 1.418 1.00 0.00 C ATOM 1578 CG1 ILE A 102 4.838 6.259 1.000 1.00 0.00 C ATOM 1579 CG2 ILE A 102 6.529 5.062 2.521 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.192 4.966 0.541 1.00 0.00 C ATOM 0 H ILE A 102 6.405 8.158 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 102 6.283 7.871 2.736 1.00 0.00 H new ATOM 0 HB ILE A 102 6.934 5.822 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.272 6.648 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.756 6.992 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.148 4.106 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.588 4.964 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.981 5.357 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.152 5.153 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.725 4.581 -0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.234 4.233 1.346 1.00 0.00 H new ATOM 1592 N ARG A 103 9.323 7.646 1.410 1.00 0.00 N ATOM 1593 CA ARG A 103 10.765 7.665 1.765 1.00 0.00 C ATOM 1594 C ARG A 103 11.074 8.899 2.644 1.00 0.00 C ATOM 1595 O ARG A 103 11.987 8.863 3.479 1.00 0.00 O ATOM 1596 CB ARG A 103 11.695 7.524 0.504 1.00 0.00 C ATOM 1597 CG ARG A 103 12.146 8.813 -0.233 1.00 0.00 C ATOM 1598 CD ARG A 103 13.393 9.465 0.385 1.00 0.00 C ATOM 1599 NE ARG A 103 13.859 10.660 -0.349 1.00 0.00 N ATOM 1600 CZ ARG A 103 13.260 11.867 -0.331 1.00 0.00 C ATOM 1601 NH1 ARG A 103 12.070 12.039 0.229 1.00 0.00 N ATOM 1602 NH2 ARG A 103 13.848 12.902 -0.895 1.00 0.00 N ATOM 0 H ARG A 103 9.135 7.762 0.414 1.00 0.00 H new ATOM 0 HA ARG A 103 10.993 6.783 2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.592 6.988 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.179 6.892 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.350 8.573 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.327 9.532 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.174 9.744 1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.198 8.731 0.417 1.00 0.00 H new ATOM 0 HE ARG A 103 14.702 10.563 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.589 11.248 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.636 12.962 0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.756 12.790 -1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.395 13.816 -0.882 1.00 0.00 H new ATOM 1616 N ALA A 104 10.287 9.983 2.442 1.00 0.00 N ATOM 1617 CA ALA A 104 10.390 11.218 3.239 1.00 0.00 C ATOM 1618 C ALA A 104 9.795 11.010 4.644 1.00 0.00 C ATOM 1619 O ALA A 104 10.307 11.553 5.620 1.00 0.00 O ATOM 1620 CB ALA A 104 9.701 12.390 2.520 1.00 0.00 C ATOM 0 H ALA A 104 9.566 10.021 1.722 1.00 0.00 H new ATOM 0 HA ALA A 104 11.446 11.465 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.789 13.291 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.177 12.555 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.647 12.156 2.370 1.00 0.00 H new ATOM 1626 N LYS A 105 8.688 10.250 4.729 1.00 0.00 N ATOM 1627 CA LYS A 105 8.082 9.847 6.013 1.00 0.00 C ATOM 1628 C LYS A 105 9.005 8.905 6.825 1.00 0.00 C ATOM 1629 O LYS A 105 9.042 8.969 8.059 1.00 0.00 O ATOM 1630 CB LYS A 105 6.708 9.187 5.740 1.00 0.00 C ATOM 1631 CG LYS A 105 5.769 9.027 6.964 1.00 0.00 C ATOM 1632 CD LYS A 105 5.293 10.379 7.592 1.00 0.00 C ATOM 1633 CE LYS A 105 6.213 10.906 8.720 1.00 0.00 C ATOM 1634 NZ LYS A 105 5.803 12.254 9.186 1.00 0.00 N ATOM 0 H LYS A 105 8.189 9.898 3.912 1.00 0.00 H new ATOM 0 HA LYS A 105 7.942 10.739 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.189 9.777 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.881 8.200 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.894 8.452 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.284 8.446 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.231 11.131 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.286 10.249 7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.193 10.211 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.242 10.943 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.648 12.844 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.187 12.695 8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.287 12.168 10.085 1.00 0.00 H new ATOM 1648 N LEU A 106 9.735 8.031 6.115 1.00 0.00 N ATOM 1649 CA LEU A 106 10.818 7.202 6.698 1.00 0.00 C ATOM 1650 C LEU A 106 11.993 8.096 7.187 1.00 0.00 C ATOM 1651 O LEU A 106 12.664 7.766 8.167 1.00 0.00 O ATOM 1652 CB LEU A 106 11.311 6.128 5.667 1.00 0.00 C ATOM 1653 CG LEU A 106 10.550 4.753 5.653 1.00 0.00 C ATOM 1654 CD1 LEU A 106 9.034 4.914 5.443 1.00 0.00 C ATOM 1655 CD2 LEU A 106 11.140 3.814 4.581 1.00 0.00 C ATOM 0 H LEU A 106 9.596 7.874 5.117 1.00 0.00 H new ATOM 0 HA LEU A 106 10.418 6.674 7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.247 6.561 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.365 5.930 5.861 1.00 0.00 H new ATOM 0 HG LEU A 106 10.692 4.309 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.561 3.932 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.617 5.517 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.849 5.407 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.599 2.868 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.046 4.278 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.193 3.631 4.797 1.00 0.00 H new ATOM 1667 N HIS A 107 12.221 9.220 6.481 1.00 0.00 N ATOM 1668 CA HIS A 107 13.198 10.270 6.869 1.00 0.00 C ATOM 1669 C HIS A 107 12.643 11.158 8.026 1.00 0.00 C ATOM 1670 O HIS A 107 13.402 11.918 8.644 1.00 0.00 O ATOM 1671 CB HIS A 107 13.554 11.116 5.611 1.00 0.00 C ATOM 1672 CG HIS A 107 14.515 12.260 5.844 1.00 0.00 C ATOM 1673 ND1 HIS A 107 15.832 12.079 6.210 1.00 0.00 N ATOM 1674 CD2 HIS A 107 14.337 13.601 5.765 1.00 0.00 C ATOM 1675 CE1 HIS A 107 16.419 13.251 6.340 1.00 0.00 C ATOM 1676 NE2 HIS A 107 15.533 14.192 6.076 1.00 0.00 N ATOM 0 H HIS A 107 11.729 9.432 5.613 1.00 0.00 H new ATOM 0 HA HIS A 107 14.106 9.801 7.248 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.982 10.453 4.859 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.631 11.519 5.193 1.00 0.00 H new ATOM 0 HD2 HIS A 107 13.421 14.110 5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.450 13.414 6.616 1.00 0.00 H new ATOM 0 HE2 HIS A 107 15.710 15.196 6.100 1.00 0.00 H new ATOM 1685 N ALA A 108 11.302 11.073 8.235 1.00 0.00 N ATOM 1686 CA ALA A 108 10.505 11.722 9.321 1.00 0.00 C ATOM 1687 C ALA A 108 9.827 13.025 8.849 1.00 0.00 C ATOM 1688 O ALA A 108 8.769 13.400 9.372 1.00 0.00 O ATOM 1689 CB ALA A 108 11.281 11.929 10.648 1.00 0.00 C ATOM 0 H ALA A 108 10.710 10.518 7.616 1.00 0.00 H new ATOM 0 HA ALA A 108 9.720 11.003 9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.629 12.405 11.380 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.612 10.963 11.030 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.148 12.564 10.467 1.00 0.00 H new ATOM 1727 N GLY A 111 11.470 16.105 2.818 1.00 0.00 N ATOM 1728 CA GLY A 111 12.662 16.760 2.269 1.00 0.00 C ATOM 1729 C GLY A 111 12.916 16.308 0.837 1.00 0.00 C ATOM 1730 O GLY A 111 13.493 15.236 0.626 1.00 0.00 O ATOM 0 HA2 GLY A 111 12.533 17.842 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 111 13.528 16.527 2.888 1.00 0.00 H new ATOM 1734 N GLU A 112 12.450 17.109 -0.144 1.00 0.00 N ATOM 1735 CA GLU A 112 12.589 16.791 -1.590 1.00 0.00 C ATOM 1736 C GLU A 112 14.083 16.703 -2.025 1.00 0.00 C ATOM 1737 O GLU A 112 14.925 17.423 -1.484 1.00 0.00 O ATOM 1738 CB GLU A 112 11.759 17.794 -2.478 1.00 0.00 C ATOM 1739 CG GLU A 112 11.748 19.284 -2.038 1.00 0.00 C ATOM 1740 CD GLU A 112 13.123 19.979 -2.028 1.00 0.00 C ATOM 1741 OE1 GLU A 112 13.695 20.205 -3.114 1.00 0.00 O ATOM 1742 OE2 GLU A 112 13.649 20.285 -0.930 1.00 0.00 O ATOM 0 H GLU A 112 11.969 17.990 0.037 1.00 0.00 H new ATOM 0 HA GLU A 112 12.166 15.799 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 112 12.145 17.744 -3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.728 17.443 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.085 19.837 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.320 19.347 -1.037 1.00 0.00 H new ATOM 1749 N PRO A 113 14.441 15.761 -2.958 1.00 0.00 N ATOM 1750 CA PRO A 113 15.819 15.608 -3.457 1.00 0.00 C ATOM 1751 C PRO A 113 16.066 16.419 -4.753 1.00 0.00 C ATOM 1752 O PRO A 113 15.567 16.055 -5.832 1.00 0.00 O ATOM 1753 CB PRO A 113 15.900 14.082 -3.689 1.00 0.00 C ATOM 1754 CG PRO A 113 14.501 13.659 -4.079 1.00 0.00 C ATOM 1755 CD PRO A 113 13.544 14.743 -3.581 1.00 0.00 C ATOM 0 HA PRO A 113 16.580 15.987 -2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 113 16.616 13.842 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 113 16.230 13.565 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.422 13.543 -5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 113 14.253 12.694 -3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.964 15.170 -4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 113 12.831 14.345 -2.859 1.00 0.00 H new ATOM 1763 N VAL A 114 16.805 17.541 -4.643 1.00 0.00 N ATOM 1764 CA VAL A 114 17.100 18.400 -5.803 1.00 0.00 C ATOM 1765 C VAL A 114 18.101 17.673 -6.746 1.00 0.00 C ATOM 1766 O VAL A 114 19.289 17.501 -6.445 1.00 0.00 O ATOM 1767 CB VAL A 114 17.581 19.844 -5.366 1.00 0.00 C ATOM 1768 CG1 VAL A 114 18.929 19.842 -4.599 1.00 0.00 C ATOM 1769 CG2 VAL A 114 17.604 20.812 -6.573 1.00 0.00 C ATOM 0 H VAL A 114 17.206 17.871 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 114 16.182 18.570 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 114 16.843 20.210 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 114 19.197 20.864 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 114 18.831 19.243 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 114 19.708 19.417 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 114 17.938 21.796 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.288 20.432 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.602 20.891 -6.995 1.00 0.00 H new ATOM 1779 N ASP A 115 17.573 17.219 -7.896 1.00 0.00 N ATOM 1780 CA ASP A 115 18.216 16.216 -8.775 1.00 0.00 C ATOM 1781 C ASP A 115 19.225 16.866 -9.756 1.00 0.00 C ATOM 1782 O ASP A 115 19.571 16.274 -10.776 1.00 0.00 O ATOM 1783 CB ASP A 115 17.083 15.434 -9.521 1.00 0.00 C ATOM 1784 CG ASP A 115 17.472 14.027 -10.008 1.00 0.00 C ATOM 1785 OD1 ASP A 115 17.825 13.176 -9.170 1.00 0.00 O ATOM 1786 OD2 ASP A 115 17.382 13.745 -11.217 1.00 0.00 O ATOM 0 H ASP A 115 16.673 17.542 -8.250 1.00 0.00 H new ATOM 0 HA ASP A 115 18.805 15.522 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 115 16.224 15.347 -8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 115 16.762 16.023 -10.380 1.00 0.00 H new ATOM 1791 N LEU A 116 19.717 18.085 -9.418 1.00 0.00 N ATOM 1792 CA LEU A 116 20.812 18.755 -10.161 1.00 0.00 C ATOM 1793 C LEU A 116 22.127 17.953 -10.041 1.00 0.00 C ATOM 1794 O LEU A 116 22.967 17.968 -10.943 1.00 0.00 O ATOM 1795 CB LEU A 116 20.971 20.244 -9.687 1.00 0.00 C ATOM 1796 CG LEU A 116 21.173 20.530 -8.143 1.00 0.00 C ATOM 1797 CD1 LEU A 116 22.605 20.222 -7.640 1.00 0.00 C ATOM 1798 CD2 LEU A 116 20.789 21.992 -7.791 1.00 0.00 C ATOM 0 H LEU A 116 19.368 18.627 -8.628 1.00 0.00 H new ATOM 0 HA LEU A 116 20.554 18.782 -11.220 1.00 0.00 H new ATOM 0 HB2 LEU A 116 21.822 20.671 -10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 116 20.086 20.791 -10.012 1.00 0.00 H new ATOM 0 HG LEU A 116 20.502 19.844 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 116 22.671 20.441 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 116 22.831 19.169 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 116 23.322 20.839 -8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.937 22.160 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 116 21.417 22.680 -8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 116 19.743 22.164 -8.043 1.00 0.00 H new ATOM 1810 N GLU A 117 22.243 17.212 -8.922 1.00 0.00 N ATOM 1811 CA GLU A 117 23.398 16.348 -8.593 1.00 0.00 C ATOM 1812 C GLU A 117 23.485 15.126 -9.554 1.00 0.00 C ATOM 1813 O GLU A 117 24.500 14.418 -9.591 1.00 0.00 O ATOM 1814 CB GLU A 117 23.250 15.892 -7.109 1.00 0.00 C ATOM 1815 CG GLU A 117 24.482 15.208 -6.476 1.00 0.00 C ATOM 1816 CD GLU A 117 25.697 16.133 -6.304 1.00 0.00 C ATOM 1817 OE1 GLU A 117 25.590 17.134 -5.565 1.00 0.00 O ATOM 1818 OE2 GLU A 117 26.775 15.854 -6.869 1.00 0.00 O ATOM 0 H GLU A 117 21.520 17.196 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 117 24.326 16.906 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 117 22.996 16.764 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 117 22.407 15.204 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 117 24.202 14.810 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 117 24.771 14.359 -7.096 1.00 0.00 H new ATOM 1825 N ARG A 118 22.416 14.906 -10.339 1.00 0.00 N ATOM 1826 CA ARG A 118 22.287 13.758 -11.256 1.00 0.00 C ATOM 1827 C ARG A 118 22.893 14.045 -12.647 1.00 0.00 C ATOM 1828 O ARG A 118 23.207 13.104 -13.390 1.00 0.00 O ATOM 1829 CB ARG A 118 20.778 13.387 -11.385 1.00 0.00 C ATOM 1830 CG ARG A 118 20.453 12.044 -12.086 1.00 0.00 C ATOM 1831 CD ARG A 118 20.590 10.834 -11.141 1.00 0.00 C ATOM 1832 NE ARG A 118 19.627 10.918 -10.021 1.00 0.00 N ATOM 1833 CZ ARG A 118 19.509 10.038 -9.016 1.00 0.00 C ATOM 1834 NH1 ARG A 118 20.273 8.953 -8.953 1.00 0.00 N ATOM 1835 NH2 ARG A 118 18.605 10.254 -8.073 1.00 0.00 N ATOM 0 H ARG A 118 21.607 15.527 -10.355 1.00 0.00 H new ATOM 0 HA ARG A 118 22.849 12.922 -10.839 1.00 0.00 H new ATOM 0 HB2 ARG A 118 20.346 13.363 -10.385 1.00 0.00 H new ATOM 0 HB3 ARG A 118 20.276 14.186 -11.930 1.00 0.00 H new ATOM 0 HG2 ARG A 118 19.437 12.080 -12.479 1.00 0.00 H new ATOM 0 HG3 ARG A 118 21.120 11.912 -12.938 1.00 0.00 H new ATOM 0 HD2 ARG A 118 20.423 9.913 -11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 118 21.606 10.789 -10.748 1.00 0.00 H new ATOM 0 HE ARG A 118 18.995 11.719 -10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 118 20.967 8.775 -9.679 1.00 0.00 H new ATOM 0 HH12 ARG A 118 20.165 8.298 -8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 118 18.010 11.081 -8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 118 18.504 9.593 -7.303 1.00 0.00 H new ATOM 1849 N ILE A 119 23.068 15.340 -12.999 1.00 0.00 N ATOM 1850 CA ILE A 119 23.579 15.750 -14.319 1.00 0.00 C ATOM 1851 C ILE A 119 25.118 15.720 -14.267 1.00 0.00 C ATOM 1852 O ILE A 119 25.775 16.752 -14.110 1.00 0.00 O ATOM 1853 CB ILE A 119 23.040 17.170 -14.811 1.00 0.00 C ATOM 1854 CG1 ILE A 119 21.477 17.216 -14.924 1.00 0.00 C ATOM 1855 CG2 ILE A 119 23.666 17.567 -16.182 1.00 0.00 C ATOM 1856 CD1 ILE A 119 20.718 17.222 -13.617 1.00 0.00 C ATOM 0 H ILE A 119 22.859 16.122 -12.378 1.00 0.00 H new ATOM 0 HA ILE A 119 23.203 15.044 -15.060 1.00 0.00 H new ATOM 0 HB ILE A 119 23.345 17.887 -14.049 1.00 0.00 H new ATOM 0 HG12 ILE A 119 21.199 18.107 -15.487 1.00 0.00 H new ATOM 0 HG13 ILE A 119 21.149 16.356 -15.508 1.00 0.00 H new ATOM 0 HG21 ILE A 119 23.280 18.538 -16.491 1.00 0.00 H new ATOM 0 HG22 ILE A 119 24.750 17.622 -16.085 1.00 0.00 H new ATOM 0 HG23 ILE A 119 23.406 16.819 -16.931 1.00 0.00 H new ATOM 0 HD11 ILE A 119 19.647 17.255 -13.818 1.00 0.00 H new ATOM 0 HD12 ILE A 119 20.954 16.318 -13.055 1.00 0.00 H new ATOM 0 HD13 ILE A 119 21.005 18.097 -13.034 1.00 0.00 H new ATOM 1868 N ILE A 120 25.658 14.479 -14.279 1.00 0.00 N ATOM 1869 CA ILE A 120 27.110 14.173 -14.404 1.00 0.00 C ATOM 1870 C ILE A 120 27.908 14.527 -13.103 1.00 0.00 C ATOM 1871 O ILE A 120 29.090 14.183 -12.988 1.00 0.00 O ATOM 1872 CB ILE A 120 27.732 14.865 -15.706 1.00 0.00 C ATOM 1873 CG1 ILE A 120 26.833 14.558 -16.957 1.00 0.00 C ATOM 1874 CG2 ILE A 120 29.201 14.441 -15.975 1.00 0.00 C ATOM 1875 CD1 ILE A 120 27.253 15.243 -18.251 1.00 0.00 C ATOM 0 H ILE A 120 25.085 13.639 -14.200 1.00 0.00 H new ATOM 0 HA ILE A 120 27.206 13.095 -14.530 1.00 0.00 H new ATOM 0 HB ILE A 120 27.750 15.939 -15.520 1.00 0.00 H new ATOM 0 HG12 ILE A 120 26.827 13.481 -17.122 1.00 0.00 H new ATOM 0 HG13 ILE A 120 25.809 14.851 -16.727 1.00 0.00 H new ATOM 0 HG21 ILE A 120 29.567 14.943 -16.871 1.00 0.00 H new ATOM 0 HG22 ILE A 120 29.822 14.720 -15.124 1.00 0.00 H new ATOM 0 HG23 ILE A 120 29.247 13.362 -16.120 1.00 0.00 H new ATOM 0 HD11 ILE A 120 26.566 14.963 -19.050 1.00 0.00 H new ATOM 0 HD12 ILE A 120 27.230 16.324 -18.114 1.00 0.00 H new ATOM 0 HD13 ILE A 120 28.264 14.932 -18.516 1.00 0.00 H new ATOM 1887 N ARG A 121 27.240 15.151 -12.093 1.00 0.00 N ATOM 1888 CA ARG A 121 27.920 15.633 -10.866 1.00 0.00 C ATOM 1889 C ARG A 121 28.360 14.429 -10.008 1.00 0.00 C ATOM 1890 O ARG A 121 29.527 14.309 -9.628 1.00 0.00 O ATOM 1891 CB ARG A 121 27.017 16.590 -10.024 1.00 0.00 C ATOM 1892 CG ARG A 121 26.280 17.715 -10.796 1.00 0.00 C ATOM 1893 CD ARG A 121 27.156 18.411 -11.843 1.00 0.00 C ATOM 1894 NE ARG A 121 28.414 18.943 -11.283 1.00 0.00 N ATOM 1895 CZ ARG A 121 29.603 18.941 -11.912 1.00 0.00 C ATOM 1896 NH1 ARG A 121 29.736 18.411 -13.132 1.00 0.00 N ATOM 1897 NH2 ARG A 121 30.654 19.461 -11.313 1.00 0.00 N ATOM 0 H ARG A 121 26.236 15.329 -12.108 1.00 0.00 H new ATOM 0 HA ARG A 121 28.793 16.206 -11.178 1.00 0.00 H new ATOM 0 HB2 ARG A 121 26.270 15.986 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 121 27.637 17.054 -9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 121 25.404 17.293 -11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 121 25.919 18.457 -10.084 1.00 0.00 H new ATOM 0 HD2 ARG A 121 27.390 17.705 -12.640 1.00 0.00 H new ATOM 0 HD3 ARG A 121 26.593 19.227 -12.295 1.00 0.00 H new ATOM 0 HE ARG A 121 28.379 19.344 -10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 121 28.928 18.000 -13.600 1.00 0.00 H new ATOM 0 HH12 ARG A 121 30.645 18.418 -13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 121 30.563 19.861 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 121 31.559 19.464 -11.783 1.00 0.00 H new