USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 hydrogens (16 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 NoAdj-H: A 91 SUZ HO2 : A 91 SUZ O2 : A 91 SUZ C12 :(short bond) USER MOD Set 1.1: A 22 GLN : amide:sc= -0.589 K(o=-0.23,f=0.36) USER MOD Set 1.2: A 32 TYR OH : rot -93:sc= 0.361 USER MOD Set 2.1: A 6 THR OG1 : rot 66:sc= 1.24 USER MOD Set 2.2: A 85 SER OG : rot 180:sc= 1.04 USER MOD Single : A 1 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 1 ASN N :NH3+ -157:sc= 1.19 (180deg=1.16) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 8 ASN : amide:sc= 0.618 K(o=0.62,f=-8.7!) USER MOD Single : A 9 MET CE :methyl -174:sc= 0 (180deg=-0.0553) USER MOD Single : A 12 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.387 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.631 K(o=0.63,f=-5.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -179:sc= 0 (180deg=-0.00279) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -161:sc= -0.286 (180deg=-0.953) USER MOD Single : A 56 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.12) USER MOD Single : A 58 ASN : amide:sc= 0.518 K(o=0.52,f=-9.8!) USER MOD Single : A 61 ASN : amide:sc= 0.817 K(o=0.82,f=-3.2!) USER MOD Single : A 64 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.5!) USER MOD Single : A 65 MET CE :methyl 132:sc= -1.55 (180deg=-1.95) USER MOD Single : A 66 SER OG : rot -102:sc= 1.33 USER MOD Single : A 67 ASN : amide:sc= 0.632 K(o=0.63,f=-2!) USER MOD Single : A 79 SER OG : rot 77:sc= 1.28 USER MOD Single : A 80 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.13) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 87 THR OG1 : rot 81:sc= 1.13 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0.0857 (180deg=-0.278!) USER MOD Single : A 91 SUZ C1 :methyl -159:sc= -0.096 (180deg=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.867 12.987 7.811 1.00 0.00 N ATOM 2 CA ASN A 1 3.684 12.643 8.631 1.00 0.00 C ATOM 3 C ASN A 1 3.158 11.270 8.257 1.00 0.00 C ATOM 4 O ASN A 1 2.864 11.009 7.092 1.00 0.00 O ATOM 5 CB ASN A 1 2.570 13.672 8.443 1.00 0.00 C ATOM 6 CG ASN A 1 1.416 13.439 9.400 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.609 12.940 10.512 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.210 13.788 8.983 1.00 0.00 N ATOM 0 H1 ASN A 1 5.437 13.702 8.307 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.441 12.134 7.655 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.555 13.367 6.894 1.00 0.00 H new ATOM 0 HA ASN A 1 3.996 12.642 9.675 1.00 0.00 H new ATOM 0 HB2 ASN A 1 2.972 14.674 8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.205 13.628 7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.599 13.647 9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.089 14.198 8.057 1.00 0.00 H new ATOM 17 N ILE A 2 3.044 10.397 9.243 1.00 0.00 N ATOM 18 CA ILE A 2 2.547 9.056 9.018 1.00 0.00 C ATOM 19 C ILE A 2 1.040 9.009 9.248 1.00 0.00 C ATOM 20 O ILE A 2 0.559 9.290 10.347 1.00 0.00 O ATOM 21 CB ILE A 2 3.234 8.041 9.948 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.753 8.238 9.930 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.874 6.624 9.534 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.483 7.422 10.974 1.00 0.00 C ATOM 0 H ILE A 2 3.291 10.597 10.212 1.00 0.00 H new ATOM 0 HA ILE A 2 2.772 8.789 7.985 1.00 0.00 H new ATOM 0 HB ILE A 2 2.881 8.206 10.966 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.133 7.974 8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.976 9.294 10.085 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.366 5.914 10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.794 6.490 9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.203 6.449 8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.554 7.613 10.901 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.131 7.703 11.967 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.291 6.362 10.807 1.00 0.00 H new ATOM 36 N ILE A 3 0.302 8.661 8.208 1.00 0.00 N ATOM 37 CA ILE A 3 -1.149 8.590 8.290 1.00 0.00 C ATOM 38 C ILE A 3 -1.637 7.159 8.082 1.00 0.00 C ATOM 39 O ILE A 3 -1.294 6.510 7.094 1.00 0.00 O ATOM 40 CB ILE A 3 -1.820 9.522 7.258 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.479 10.983 7.567 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.330 9.318 7.250 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.190 11.985 6.680 1.00 0.00 C ATOM 0 H ILE A 3 0.684 8.422 7.293 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.431 8.921 9.290 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.438 9.274 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.731 11.192 8.607 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.403 11.123 7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.783 9.984 6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.556 8.284 6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.732 9.540 8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.895 12.995 6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.920 11.806 5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.268 11.875 6.799 1.00 0.00 H new ATOM 55 N THR A 4 -2.431 6.677 9.022 1.00 0.00 N ATOM 56 CA THR A 4 -2.980 5.335 8.956 1.00 0.00 C ATOM 57 C THR A 4 -4.450 5.393 8.546 1.00 0.00 C ATOM 58 O THR A 4 -5.276 5.971 9.254 1.00 0.00 O ATOM 59 CB THR A 4 -2.847 4.623 10.314 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.547 4.882 10.864 1.00 0.00 O ATOM 61 CG2 THR A 4 -3.051 3.123 10.164 1.00 0.00 C ATOM 0 H THR A 4 -2.712 7.203 9.849 1.00 0.00 H new ATOM 0 HA THR A 4 -2.418 4.771 8.212 1.00 0.00 H new ATOM 0 HB THR A 4 -3.616 5.008 10.984 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.462 4.430 11.730 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.952 2.643 11.138 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.046 2.929 9.764 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.301 2.720 9.483 1.00 0.00 H new ATOM 69 N VAL A 5 -4.768 4.813 7.396 1.00 0.00 N ATOM 70 CA VAL A 5 -6.134 4.822 6.897 1.00 0.00 C ATOM 71 C VAL A 5 -6.665 3.407 6.689 1.00 0.00 C ATOM 72 O VAL A 5 -5.945 2.520 6.230 1.00 0.00 O ATOM 73 CB VAL A 5 -6.243 5.599 5.564 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.866 7.057 5.758 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.365 4.973 4.493 1.00 0.00 C ATOM 0 H VAL A 5 -4.100 4.332 6.794 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.737 5.321 7.655 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.281 5.546 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.950 7.584 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.537 7.513 6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.840 7.122 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.461 5.539 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.325 4.987 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.678 3.943 4.322 1.00 0.00 H new ATOM 85 N THR A 6 -7.914 3.195 7.058 1.00 0.00 N ATOM 86 CA THR A 6 -8.545 1.905 6.870 1.00 0.00 C ATOM 87 C THR A 6 -9.526 2.006 5.708 1.00 0.00 C ATOM 88 O THR A 6 -10.102 3.072 5.465 1.00 0.00 O ATOM 89 CB THR A 6 -9.242 1.405 8.160 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.058 -0.012 8.297 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.732 1.726 8.169 1.00 0.00 C ATOM 0 H THR A 6 -8.511 3.900 7.490 1.00 0.00 H new ATOM 0 HA THR A 6 -7.778 1.166 6.637 1.00 0.00 H new ATOM 0 HB THR A 6 -8.783 1.926 9.000 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.108 -0.206 8.437 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.178 1.357 9.092 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.872 2.805 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.213 1.246 7.316 1.00 0.00 H new ATOM 99 N LEU A 7 -9.688 0.921 4.971 1.00 0.00 N ATOM 100 CA LEU A 7 -10.578 0.920 3.824 1.00 0.00 C ATOM 101 C LEU A 7 -11.670 -0.131 3.968 1.00 0.00 C ATOM 102 O LEU A 7 -11.521 -1.104 4.712 1.00 0.00 O ATOM 103 CB LEU A 7 -9.775 0.665 2.551 1.00 0.00 C ATOM 104 CG LEU A 7 -8.538 1.548 2.382 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.592 0.950 1.355 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.939 2.958 1.978 1.00 0.00 C ATOM 0 H LEU A 7 -9.217 0.033 5.145 1.00 0.00 H new ATOM 0 HA LEU A 7 -11.059 1.897 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.462 -0.379 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.429 0.812 1.691 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.020 1.598 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.718 1.592 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.277 -0.040 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.102 0.868 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.045 3.571 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.481 2.925 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.578 3.389 2.748 1.00 0.00 H new ATOM 118 N ASN A 8 -12.767 0.076 3.256 1.00 0.00 N ATOM 119 CA ASN A 8 -13.886 -0.852 3.288 1.00 0.00 C ATOM 120 C ASN A 8 -13.839 -1.764 2.068 1.00 0.00 C ATOM 121 O ASN A 8 -14.146 -1.345 0.950 1.00 0.00 O ATOM 122 CB ASN A 8 -15.217 -0.095 3.333 1.00 0.00 C ATOM 123 CG ASN A 8 -16.407 -1.030 3.409 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.904 -1.500 2.385 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.876 -1.310 4.616 1.00 0.00 N ATOM 0 H ASN A 8 -12.906 0.882 2.647 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.808 -1.459 4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.225 0.571 4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.306 0.532 2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.676 -1.934 4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.437 -0.901 5.441 1.00 0.00 H new ATOM 132 N MET A 9 -13.459 -3.014 2.292 1.00 0.00 N ATOM 133 CA MET A 9 -13.357 -3.990 1.213 1.00 0.00 C ATOM 134 C MET A 9 -14.673 -4.734 1.009 1.00 0.00 C ATOM 135 O MET A 9 -14.705 -5.812 0.414 1.00 0.00 O ATOM 136 CB MET A 9 -12.225 -4.981 1.500 1.00 0.00 C ATOM 137 CG MET A 9 -10.846 -4.335 1.551 1.00 0.00 C ATOM 138 SD MET A 9 -10.452 -3.399 0.059 1.00 0.00 S ATOM 139 CE MET A 9 -10.230 -4.724 -1.127 1.00 0.00 C ATOM 0 H MET A 9 -13.215 -3.378 3.213 1.00 0.00 H new ATOM 0 HA MET A 9 -13.133 -3.450 0.293 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.420 -5.477 2.451 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.227 -5.754 0.731 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.793 -3.672 2.414 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.093 -5.109 1.697 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.878 -4.311 -2.072 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.497 -5.435 -0.746 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.180 -5.234 -1.285 1.00 0.00 H new ATOM 149 N GLU A 10 -15.755 -4.161 1.514 1.00 0.00 N ATOM 150 CA GLU A 10 -17.072 -4.757 1.365 1.00 0.00 C ATOM 151 C GLU A 10 -17.766 -4.135 0.160 1.00 0.00 C ATOM 152 O GLU A 10 -18.383 -4.826 -0.654 1.00 0.00 O ATOM 153 CB GLU A 10 -17.914 -4.532 2.626 1.00 0.00 C ATOM 154 CG GLU A 10 -17.247 -5.006 3.909 1.00 0.00 C ATOM 155 CD GLU A 10 -17.209 -6.512 4.022 1.00 0.00 C ATOM 156 OE1 GLU A 10 -18.283 -7.130 4.177 1.00 0.00 O ATOM 157 OE2 GLU A 10 -16.104 -7.092 3.965 1.00 0.00 O ATOM 0 H GLU A 10 -15.746 -3.282 2.032 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.962 -5.831 1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.137 -3.469 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.867 -5.049 2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.230 -4.616 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.781 -4.594 4.765 1.00 0.00 H new ATOM 164 N ARG A 11 -17.637 -2.820 0.050 1.00 0.00 N ATOM 165 CA ARG A 11 -18.233 -2.068 -1.045 1.00 0.00 C ATOM 166 C ARG A 11 -17.229 -1.909 -2.188 1.00 0.00 C ATOM 167 O ARG A 11 -17.594 -1.550 -3.308 1.00 0.00 O ATOM 168 CB ARG A 11 -18.688 -0.696 -0.536 1.00 0.00 C ATOM 169 CG ARG A 11 -19.446 0.136 -1.559 1.00 0.00 C ATOM 170 CD ARG A 11 -19.879 1.470 -0.972 1.00 0.00 C ATOM 171 NE ARG A 11 -20.244 2.439 -2.002 1.00 0.00 N ATOM 172 CZ ARG A 11 -20.867 3.588 -1.754 1.00 0.00 C ATOM 173 NH1 ARG A 11 -21.195 3.920 -0.506 1.00 0.00 N ATOM 174 NH2 ARG A 11 -21.161 4.410 -2.756 1.00 0.00 N ATOM 0 H ARG A 11 -17.118 -2.246 0.715 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.098 -2.611 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.322 -0.839 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.813 -0.136 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.815 0.307 -2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.322 -0.415 -1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.729 1.313 -0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.070 1.876 -0.365 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.007 2.222 -2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -20.968 3.292 0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.673 4.802 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.909 4.159 -3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.639 5.292 -2.569 1.00 0.00 H new ATOM 188 N HIS A 12 -15.964 -2.183 -1.902 1.00 0.00 N ATOM 189 CA HIS A 12 -14.915 -2.071 -2.908 1.00 0.00 C ATOM 190 C HIS A 12 -14.229 -3.418 -3.109 1.00 0.00 C ATOM 191 O HIS A 12 -14.225 -4.256 -2.210 1.00 0.00 O ATOM 192 CB HIS A 12 -13.894 -1.000 -2.509 1.00 0.00 C ATOM 193 CG HIS A 12 -14.372 0.401 -2.748 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.471 1.351 -1.752 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.783 1.013 -3.886 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.925 2.479 -2.266 1.00 0.00 C ATOM 197 NE2 HIS A 12 -15.121 2.301 -3.557 1.00 0.00 N ATOM 0 H HIS A 12 -15.639 -2.484 -0.983 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.372 -1.770 -3.851 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.650 -1.117 -1.453 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.973 -1.161 -3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.835 0.569 -4.869 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.105 3.393 -1.721 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.468 3.007 -4.206 1.00 0.00 H new ATOM 206 N HIS A 13 -13.669 -3.628 -4.294 1.00 0.00 N ATOM 207 CA HIS A 13 -12.994 -4.888 -4.609 1.00 0.00 C ATOM 208 C HIS A 13 -11.489 -4.698 -4.748 1.00 0.00 C ATOM 209 O HIS A 13 -10.715 -5.634 -4.538 1.00 0.00 O ATOM 210 CB HIS A 13 -13.557 -5.490 -5.899 1.00 0.00 C ATOM 211 CG HIS A 13 -14.926 -6.081 -5.743 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.217 -7.397 -6.031 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.093 -5.526 -5.335 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.498 -7.622 -5.811 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.052 -6.503 -5.385 1.00 0.00 N ATOM 0 H HIS A 13 -13.667 -2.946 -5.053 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.177 -5.571 -3.780 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.591 -4.716 -6.666 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.876 -6.263 -6.256 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.240 -4.501 -5.027 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.007 -8.563 -5.955 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.034 -6.385 -5.134 1.00 0.00 H new ATOM 224 N PHE A 14 -11.069 -3.494 -5.108 1.00 0.00 N ATOM 225 CA PHE A 14 -9.651 -3.209 -5.268 1.00 0.00 C ATOM 226 C PHE A 14 -9.300 -1.891 -4.598 1.00 0.00 C ATOM 227 O PHE A 14 -10.176 -1.068 -4.333 1.00 0.00 O ATOM 228 CB PHE A 14 -9.250 -3.197 -6.752 1.00 0.00 C ATOM 229 CG PHE A 14 -10.050 -2.260 -7.619 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.277 -2.646 -8.131 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.564 -0.999 -7.931 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.006 -1.792 -8.938 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.288 -0.142 -8.739 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.510 -0.539 -9.241 1.00 0.00 C ATOM 0 H PHE A 14 -11.686 -2.703 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.086 -4.005 -4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.197 -2.927 -6.826 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.348 -4.208 -7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.669 -3.625 -7.898 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.609 -0.683 -7.538 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.962 -2.104 -9.331 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.898 0.836 -8.977 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.079 0.129 -9.871 1.00 0.00 H new ATOM 244 N LEU A 15 -8.019 -1.695 -4.323 1.00 0.00 N ATOM 245 CA LEU A 15 -7.561 -0.480 -3.663 1.00 0.00 C ATOM 246 C LEU A 15 -7.370 0.642 -4.670 1.00 0.00 C ATOM 247 O LEU A 15 -7.674 1.801 -4.385 1.00 0.00 O ATOM 248 CB LEU A 15 -6.249 -0.737 -2.919 1.00 0.00 C ATOM 249 CG LEU A 15 -6.245 -1.953 -1.986 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.915 -2.058 -1.255 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.394 -1.874 -0.992 1.00 0.00 C ATOM 0 H LEU A 15 -7.279 -2.360 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.324 -0.179 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.454 -0.863 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.005 0.149 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.379 -2.849 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.929 -2.927 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.109 -2.166 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.753 -1.157 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.372 -2.747 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.294 -0.970 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.341 -1.848 -1.532 1.00 0.00 H new ATOM 263 N GLY A 16 -6.885 0.283 -5.851 1.00 0.00 N ATOM 264 CA GLY A 16 -6.649 1.259 -6.895 1.00 0.00 C ATOM 265 C GLY A 16 -5.399 2.085 -6.647 1.00 0.00 C ATOM 266 O GLY A 16 -5.441 3.307 -6.739 1.00 0.00 O ATOM 0 H GLY A 16 -6.649 -0.676 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.558 0.747 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.510 1.923 -6.969 1.00 0.00 H new ATOM 270 N ILE A 17 -4.287 1.418 -6.345 1.00 0.00 N ATOM 271 CA ILE A 17 -3.016 2.104 -6.079 1.00 0.00 C ATOM 272 C ILE A 17 -1.836 1.230 -6.487 1.00 0.00 C ATOM 273 O ILE A 17 -1.512 0.261 -5.804 1.00 0.00 O ATOM 274 CB ILE A 17 -2.845 2.479 -4.588 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.384 1.371 -3.677 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.530 3.801 -4.286 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.765 1.369 -2.294 1.00 0.00 C ATOM 0 H ILE A 17 -4.236 0.402 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.038 3.020 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.779 2.590 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.464 1.483 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.204 0.405 -4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.398 4.047 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.090 4.587 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.594 3.719 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.194 0.559 -1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.688 1.226 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.968 2.321 -1.803 1.00 0.00 H new ATOM 289 N SER A 18 -1.196 1.560 -7.601 1.00 0.00 N ATOM 290 CA SER A 18 -0.075 0.764 -8.074 1.00 0.00 C ATOM 291 C SER A 18 1.149 0.972 -7.193 1.00 0.00 C ATOM 292 O SER A 18 1.494 2.099 -6.832 1.00 0.00 O ATOM 293 CB SER A 18 0.228 1.069 -9.542 1.00 0.00 C ATOM 294 OG SER A 18 0.766 2.373 -9.702 1.00 0.00 O ATOM 0 H SER A 18 -1.430 2.362 -8.186 1.00 0.00 H new ATOM 0 HA SER A 18 -0.350 -0.289 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.933 0.333 -9.930 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.685 0.976 -10.130 1.00 0.00 H new ATOM 0 HG SER A 18 0.950 2.537 -10.650 1.00 0.00 H new ATOM 300 N ILE A 19 1.786 -0.128 -6.831 1.00 0.00 N ATOM 301 CA ILE A 19 2.958 -0.083 -5.971 1.00 0.00 C ATOM 302 C ILE A 19 4.237 0.024 -6.789 1.00 0.00 C ATOM 303 O ILE A 19 4.544 -0.852 -7.602 1.00 0.00 O ATOM 304 CB ILE A 19 3.043 -1.332 -5.074 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.660 -1.708 -4.532 1.00 0.00 C ATOM 306 CG2 ILE A 19 4.016 -1.101 -3.928 1.00 0.00 C ATOM 307 CD1 ILE A 19 1.008 -0.625 -3.698 1.00 0.00 C ATOM 0 H ILE A 19 1.511 -1.067 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 19 2.855 0.803 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 19 3.410 -2.160 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.006 -1.949 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.751 -2.611 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.063 -1.994 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.006 -0.886 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.677 -0.257 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.033 -0.969 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.639 -0.399 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.882 0.273 -4.302 1.00 0.00 H new ATOM 319 N VAL A 20 4.971 1.104 -6.571 1.00 0.00 N ATOM 320 CA VAL A 20 6.224 1.337 -7.270 1.00 0.00 C ATOM 321 C VAL A 20 7.395 1.245 -6.297 1.00 0.00 C ATOM 322 O VAL A 20 7.524 2.061 -5.383 1.00 0.00 O ATOM 323 CB VAL A 20 6.233 2.716 -7.972 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.588 2.993 -8.609 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.128 2.785 -9.019 1.00 0.00 C ATOM 0 H VAL A 20 4.717 1.838 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 20 6.326 0.567 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 20 6.049 3.483 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.569 3.968 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.360 2.987 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.807 2.223 -9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.147 3.761 -9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.284 2.006 -9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.161 2.638 -8.538 1.00 0.00 H new ATOM 335 N GLY A 21 8.228 0.232 -6.480 1.00 0.00 N ATOM 336 CA GLY A 21 9.375 0.049 -5.616 1.00 0.00 C ATOM 337 C GLY A 21 10.559 0.878 -6.064 1.00 0.00 C ATOM 338 O GLY A 21 10.913 0.879 -7.244 1.00 0.00 O ATOM 0 H GLY A 21 8.129 -0.469 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.107 0.321 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.654 -1.005 -5.602 1.00 0.00 H new ATOM 342 N GLN A 22 11.166 1.588 -5.130 1.00 0.00 N ATOM 343 CA GLN A 22 12.313 2.421 -5.439 1.00 0.00 C ATOM 344 C GLN A 22 13.597 1.606 -5.360 1.00 0.00 C ATOM 345 O GLN A 22 13.976 1.123 -4.290 1.00 0.00 O ATOM 346 CB GLN A 22 12.383 3.615 -4.486 1.00 0.00 C ATOM 347 CG GLN A 22 13.401 4.664 -4.908 1.00 0.00 C ATOM 348 CD GLN A 22 13.408 5.886 -4.010 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.666 7.002 -4.465 1.00 0.00 O ATOM 350 NE2 GLN A 22 13.136 5.691 -2.730 1.00 0.00 N ATOM 0 H GLN A 22 10.883 1.604 -4.150 1.00 0.00 H new ATOM 0 HA GLN A 22 12.200 2.797 -6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.399 4.079 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.632 3.259 -3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.395 4.216 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.190 4.974 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.927 4.752 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.135 6.479 -2.083 1.00 0.00 H new ATOM 359 N SER A 23 14.241 1.436 -6.499 1.00 0.00 N ATOM 360 CA SER A 23 15.484 0.692 -6.581 1.00 0.00 C ATOM 361 C SER A 23 16.680 1.643 -6.513 1.00 0.00 C ATOM 362 O SER A 23 16.525 2.853 -6.693 1.00 0.00 O ATOM 363 CB SER A 23 15.517 -0.104 -7.884 1.00 0.00 C ATOM 364 OG SER A 23 14.201 -0.386 -8.343 1.00 0.00 O ATOM 0 H SER A 23 13.918 1.809 -7.392 1.00 0.00 H new ATOM 0 HA SER A 23 15.544 0.004 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.058 0.459 -8.644 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.060 -1.037 -7.731 1.00 0.00 H new ATOM 0 HG SER A 23 14.248 -0.895 -9.179 1.00 0.00 H new ATOM 370 N ASN A 24 17.858 1.094 -6.259 1.00 0.00 N ATOM 371 CA ASN A 24 19.080 1.886 -6.163 1.00 0.00 C ATOM 372 C ASN A 24 20.269 0.947 -5.991 1.00 0.00 C ATOM 373 O ASN A 24 20.117 -0.266 -6.138 1.00 0.00 O ATOM 374 CB ASN A 24 18.996 2.856 -4.974 1.00 0.00 C ATOM 375 CG ASN A 24 19.777 4.140 -5.198 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.795 4.152 -5.890 1.00 0.00 O ATOM 377 ND2 ASN A 24 19.305 5.230 -4.616 1.00 0.00 N ATOM 0 H ASN A 24 17.996 0.094 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 24 19.205 2.471 -7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.951 3.101 -4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.373 2.359 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 24 19.788 6.121 -4.733 1.00 0.00 H new ATOM 0 HD22 ASN A 24 18.458 5.180 -4.050 1.00 0.00 H new ATOM 384 N ASP A 25 21.444 1.496 -5.683 1.00 0.00 N ATOM 385 CA ASP A 25 22.642 0.678 -5.482 1.00 0.00 C ATOM 386 C ASP A 25 22.406 -0.301 -4.342 1.00 0.00 C ATOM 387 O ASP A 25 22.738 -1.482 -4.439 1.00 0.00 O ATOM 388 CB ASP A 25 23.866 1.550 -5.172 1.00 0.00 C ATOM 389 CG ASP A 25 24.456 2.193 -6.408 1.00 0.00 C ATOM 390 OD1 ASP A 25 24.894 1.457 -7.318 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.487 3.438 -6.480 1.00 0.00 O ATOM 0 H ASP A 25 21.593 2.498 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 25 22.841 0.131 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.582 2.328 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.628 0.940 -4.687 1.00 0.00 H new ATOM 396 N ARG A 26 21.818 0.205 -3.270 1.00 0.00 N ATOM 397 CA ARG A 26 21.504 -0.610 -2.109 1.00 0.00 C ATOM 398 C ARG A 26 20.261 -1.445 -2.385 1.00 0.00 C ATOM 399 O ARG A 26 20.338 -2.663 -2.550 1.00 0.00 O ATOM 400 CB ARG A 26 21.283 0.276 -0.881 1.00 0.00 C ATOM 401 CG ARG A 26 22.565 0.837 -0.299 1.00 0.00 C ATOM 402 CD ARG A 26 23.439 -0.258 0.283 1.00 0.00 C ATOM 403 NE ARG A 26 24.427 0.281 1.209 1.00 0.00 N ATOM 404 CZ ARG A 26 24.287 0.280 2.531 1.00 0.00 C ATOM 405 NH1 ARG A 26 23.194 -0.231 3.094 1.00 0.00 N ATOM 406 NH2 ARG A 26 25.245 0.790 3.292 1.00 0.00 N ATOM 0 H ARG A 26 21.547 1.184 -3.181 1.00 0.00 H new ATOM 0 HA ARG A 26 22.343 -1.276 -1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.625 1.102 -1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 26 20.768 -0.302 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 26 23.115 1.369 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.326 1.564 0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.815 -0.987 0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.946 -0.787 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 26 25.279 0.684 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 26 22.456 -0.626 2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 26 23.094 -0.228 4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.084 1.180 2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 26 25.143 0.792 4.307 1.00 0.00 H new ATOM 420 N GLY A 27 19.120 -0.779 -2.457 1.00 0.00 N ATOM 421 CA GLY A 27 17.877 -1.471 -2.722 1.00 0.00 C ATOM 422 C GLY A 27 16.814 -1.180 -1.684 1.00 0.00 C ATOM 423 O GLY A 27 15.644 -1.500 -1.882 1.00 0.00 O ATOM 0 H GLY A 27 19.032 0.230 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.507 -1.182 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.063 -2.544 -2.754 1.00 0.00 H new ATOM 427 N ASP A 28 17.216 -0.560 -0.583 1.00 0.00 N ATOM 428 CA ASP A 28 16.295 -0.219 0.504 1.00 0.00 C ATOM 429 C ASP A 28 15.564 1.095 0.214 1.00 0.00 C ATOM 430 O ASP A 28 15.333 1.909 1.112 1.00 0.00 O ATOM 431 CB ASP A 28 17.056 -0.123 1.837 1.00 0.00 C ATOM 432 CG ASP A 28 18.062 1.016 1.876 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.734 1.262 0.851 1.00 0.00 O ATOM 434 OD2 ASP A 28 18.187 1.669 2.935 1.00 0.00 O ATOM 0 H ASP A 28 18.182 -0.279 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 28 15.550 -1.012 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.339 0.007 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.576 -1.064 2.019 1.00 0.00 H new ATOM 439 N GLY A 29 15.184 1.281 -1.044 1.00 0.00 N ATOM 440 CA GLY A 29 14.488 2.487 -1.452 1.00 0.00 C ATOM 441 C GLY A 29 13.081 2.575 -0.887 1.00 0.00 C ATOM 442 O GLY A 29 12.618 3.657 -0.527 1.00 0.00 O ATOM 0 H GLY A 29 15.347 0.611 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.059 3.357 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.440 2.523 -2.540 1.00 0.00 H new ATOM 446 N GLY A 30 12.396 1.439 -0.811 1.00 0.00 N ATOM 447 CA GLY A 30 11.045 1.423 -0.284 1.00 0.00 C ATOM 448 C GLY A 30 10.001 1.460 -1.382 1.00 0.00 C ATOM 449 O GLY A 30 10.324 1.706 -2.545 1.00 0.00 O ATOM 0 H GLY A 30 12.752 0.530 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.903 0.527 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.905 2.278 0.377 1.00 0.00 H new ATOM 453 N ILE A 31 8.751 1.219 -1.017 1.00 0.00 N ATOM 454 CA ILE A 31 7.661 1.219 -1.984 1.00 0.00 C ATOM 455 C ILE A 31 6.817 2.485 -1.867 1.00 0.00 C ATOM 456 O ILE A 31 6.472 2.922 -0.767 1.00 0.00 O ATOM 457 CB ILE A 31 6.759 -0.021 -1.815 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.407 -0.237 -0.339 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.449 -1.256 -2.384 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.276 -1.221 -0.124 1.00 0.00 C ATOM 0 H ILE A 31 8.465 1.021 -0.058 1.00 0.00 H new ATOM 0 HA ILE A 31 8.115 1.189 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 31 5.833 0.148 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.292 -0.592 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.134 0.720 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.802 -2.124 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.651 -1.104 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.388 -1.424 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.082 -1.324 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.378 -0.858 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.554 -2.191 -0.538 1.00 0.00 H new ATOM 472 N TYR A 32 6.494 3.072 -3.010 1.00 0.00 N ATOM 473 CA TYR A 32 5.702 4.293 -3.049 1.00 0.00 C ATOM 474 C TYR A 32 4.454 4.103 -3.903 1.00 0.00 C ATOM 475 O TYR A 32 4.393 3.198 -4.741 1.00 0.00 O ATOM 476 CB TYR A 32 6.531 5.448 -3.623 1.00 0.00 C ATOM 477 CG TYR A 32 7.683 5.884 -2.749 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.886 5.193 -2.751 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.569 6.993 -1.923 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.941 5.591 -1.954 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.619 7.400 -1.122 1.00 0.00 C ATOM 482 CZ TYR A 32 9.801 6.695 -1.140 1.00 0.00 C ATOM 483 OH TYR A 32 10.850 7.094 -0.340 1.00 0.00 O ATOM 0 H TYR A 32 6.770 2.721 -3.927 1.00 0.00 H new ATOM 0 HA TYR A 32 5.403 4.529 -2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.922 5.150 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.875 6.302 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.999 4.328 -3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.643 7.548 -1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.870 5.041 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.513 8.266 -0.486 1.00 0.00 H new ATOM 0 HH TYR A 32 10.759 6.686 0.547 1.00 0.00 H new ATOM 493 N ILE A 33 3.457 4.951 -3.678 1.00 0.00 N ATOM 494 CA ILE A 33 2.219 4.900 -4.441 1.00 0.00 C ATOM 495 C ILE A 33 2.442 5.498 -5.825 1.00 0.00 C ATOM 496 O ILE A 33 2.678 6.699 -5.958 1.00 0.00 O ATOM 497 CB ILE A 33 1.083 5.675 -3.731 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.835 5.114 -2.326 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.198 5.631 -4.556 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.367 3.674 -2.312 1.00 0.00 C ATOM 0 H ILE A 33 3.484 5.685 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 33 1.923 3.854 -4.526 1.00 0.00 H new ATOM 0 HB ILE A 33 1.394 6.715 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.755 5.192 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.090 5.732 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.983 6.182 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.019 6.085 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.509 4.595 -4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.214 3.351 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.571 3.591 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.120 3.042 -2.782 1.00 0.00 H new ATOM 512 N GLY A 34 2.376 4.658 -6.844 1.00 0.00 N ATOM 513 CA GLY A 34 2.586 5.117 -8.198 1.00 0.00 C ATOM 514 C GLY A 34 1.421 5.922 -8.720 1.00 0.00 C ATOM 515 O GLY A 34 1.491 7.148 -8.815 1.00 0.00 O ATOM 0 H GLY A 34 2.180 3.661 -6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.490 5.724 -8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.751 4.258 -8.848 1.00 0.00 H new ATOM 519 N SER A 35 0.345 5.234 -9.057 1.00 0.00 N ATOM 520 CA SER A 35 -0.840 5.892 -9.582 1.00 0.00 C ATOM 521 C SER A 35 -2.102 5.370 -8.898 1.00 0.00 C ATOM 522 O SER A 35 -2.178 4.195 -8.527 1.00 0.00 O ATOM 523 CB SER A 35 -0.930 5.670 -11.091 1.00 0.00 C ATOM 524 OG SER A 35 0.318 5.932 -11.716 1.00 0.00 O ATOM 0 H SER A 35 0.266 4.220 -8.977 1.00 0.00 H new ATOM 0 HA SER A 35 -0.761 6.960 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.235 4.643 -11.294 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.697 6.320 -11.513 1.00 0.00 H new ATOM 0 HG SER A 35 0.238 5.782 -12.681 1.00 0.00 H new ATOM 530 N ILE A 36 -3.081 6.254 -8.730 1.00 0.00 N ATOM 531 CA ILE A 36 -4.342 5.897 -8.097 1.00 0.00 C ATOM 532 C ILE A 36 -5.420 5.702 -9.158 1.00 0.00 C ATOM 533 O ILE A 36 -5.487 6.453 -10.131 1.00 0.00 O ATOM 534 CB ILE A 36 -4.801 6.983 -7.095 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.679 7.294 -6.102 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.056 6.542 -6.354 1.00 0.00 C ATOM 537 CD1 ILE A 36 -3.992 8.442 -5.164 1.00 0.00 C ATOM 0 H ILE A 36 -3.022 7.228 -9.026 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.186 4.968 -7.549 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.037 7.888 -7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.471 6.401 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.770 7.528 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.359 7.322 -5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.858 6.365 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.850 5.623 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.150 8.602 -4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.170 9.348 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.882 8.204 -4.581 1.00 0.00 H new ATOM 549 N MET A 37 -6.247 4.686 -8.978 1.00 0.00 N ATOM 550 CA MET A 37 -7.314 4.398 -9.924 1.00 0.00 C ATOM 551 C MET A 37 -8.667 4.728 -9.311 1.00 0.00 C ATOM 552 O MET A 37 -8.970 4.304 -8.194 1.00 0.00 O ATOM 553 CB MET A 37 -7.292 2.927 -10.351 1.00 0.00 C ATOM 554 CG MET A 37 -5.908 2.296 -10.365 1.00 0.00 C ATOM 555 SD MET A 37 -4.825 3.013 -11.612 1.00 0.00 S ATOM 556 CE MET A 37 -3.286 2.192 -11.218 1.00 0.00 C ATOM 0 H MET A 37 -6.201 4.046 -8.185 1.00 0.00 H new ATOM 0 HA MET A 37 -7.153 5.019 -10.805 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.931 2.356 -9.677 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.725 2.844 -11.348 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.451 2.413 -9.383 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.004 1.225 -10.546 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.504 2.542 -11.892 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.006 2.418 -10.189 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.409 1.115 -11.332 1.00 0.00 H new ATOM 566 N LYS A 38 -9.478 5.483 -10.043 1.00 0.00 N ATOM 567 CA LYS A 38 -10.800 5.854 -9.567 1.00 0.00 C ATOM 568 C LYS A 38 -11.685 4.614 -9.509 1.00 0.00 C ATOM 569 O LYS A 38 -11.751 3.842 -10.466 1.00 0.00 O ATOM 570 CB LYS A 38 -11.417 6.922 -10.478 1.00 0.00 C ATOM 571 CG LYS A 38 -12.592 7.665 -9.858 1.00 0.00 C ATOM 572 CD LYS A 38 -12.192 8.393 -8.581 1.00 0.00 C ATOM 573 CE LYS A 38 -13.240 9.417 -8.162 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.527 8.778 -7.771 1.00 0.00 N ATOM 0 H LYS A 38 -9.242 5.848 -10.966 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.717 6.276 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.646 7.644 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.747 6.449 -11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.988 8.383 -10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.393 6.959 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.050 7.669 -7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.235 8.893 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.859 10.003 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.416 10.111 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.209 9.512 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.906 8.240 -8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.366 8.135 -6.970 1.00 0.00 H new ATOM 588 N GLY A 39 -12.352 4.420 -8.383 1.00 0.00 N ATOM 589 CA GLY A 39 -13.191 3.255 -8.209 1.00 0.00 C ATOM 590 C GLY A 39 -12.626 2.340 -7.152 1.00 0.00 C ATOM 591 O GLY A 39 -13.297 1.422 -6.675 1.00 0.00 O ATOM 0 H GLY A 39 -12.327 5.052 -7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.197 3.565 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.275 2.718 -9.154 1.00 0.00 H new ATOM 595 N GLY A 40 -11.376 2.593 -6.787 1.00 0.00 N ATOM 596 CA GLY A 40 -10.727 1.798 -5.774 1.00 0.00 C ATOM 597 C GLY A 40 -11.062 2.279 -4.382 1.00 0.00 C ATOM 598 O GLY A 40 -11.600 3.373 -4.209 1.00 0.00 O ATOM 0 H GLY A 40 -10.801 3.339 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.029 0.756 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.647 1.833 -5.921 1.00 0.00 H new ATOM 602 N ALA A 41 -10.737 1.464 -3.391 1.00 0.00 N ATOM 603 CA ALA A 41 -11.008 1.791 -1.998 1.00 0.00 C ATOM 604 C ALA A 41 -10.245 3.039 -1.553 1.00 0.00 C ATOM 605 O ALA A 41 -10.737 3.814 -0.737 1.00 0.00 O ATOM 606 CB ALA A 41 -10.658 0.610 -1.111 1.00 0.00 C ATOM 0 H ALA A 41 -10.281 0.562 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.072 2.008 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.864 0.863 -0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.258 -0.253 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.601 0.371 -1.224 1.00 0.00 H new ATOM 612 N VAL A 42 -9.051 3.238 -2.104 1.00 0.00 N ATOM 613 CA VAL A 42 -8.231 4.395 -1.755 1.00 0.00 C ATOM 614 C VAL A 42 -8.871 5.692 -2.254 1.00 0.00 C ATOM 615 O VAL A 42 -8.737 6.748 -1.628 1.00 0.00 O ATOM 616 CB VAL A 42 -6.801 4.257 -2.325 1.00 0.00 C ATOM 617 CG1 VAL A 42 -6.003 5.540 -2.134 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.086 3.087 -1.668 1.00 0.00 C ATOM 0 H VAL A 42 -8.630 2.615 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.167 4.434 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.881 4.069 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.002 5.410 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.504 6.360 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.932 5.769 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.080 2.999 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.027 3.254 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.638 2.168 -1.863 1.00 0.00 H new ATOM 628 N ALA A 43 -9.605 5.597 -3.357 1.00 0.00 N ATOM 629 CA ALA A 43 -10.272 6.753 -3.942 1.00 0.00 C ATOM 630 C ALA A 43 -11.452 7.194 -3.084 1.00 0.00 C ATOM 631 O ALA A 43 -12.028 8.260 -3.299 1.00 0.00 O ATOM 632 CB ALA A 43 -10.727 6.435 -5.358 1.00 0.00 C ATOM 0 H ALA A 43 -9.753 4.726 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.560 7.578 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.224 7.306 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.862 6.175 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.422 5.595 -5.337 1.00 0.00 H new ATOM 638 N ALA A 44 -11.800 6.371 -2.104 1.00 0.00 N ATOM 639 CA ALA A 44 -12.903 6.677 -1.209 1.00 0.00 C ATOM 640 C ALA A 44 -12.424 7.493 -0.010 1.00 0.00 C ATOM 641 O ALA A 44 -13.225 8.101 0.697 1.00 0.00 O ATOM 642 CB ALA A 44 -13.580 5.396 -0.744 1.00 0.00 C ATOM 0 H ALA A 44 -11.332 5.485 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.629 7.276 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.404 5.642 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.964 4.853 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.857 4.773 -0.216 1.00 0.00 H new ATOM 648 N ASP A 45 -11.114 7.508 0.207 1.00 0.00 N ATOM 649 CA ASP A 45 -10.531 8.257 1.316 1.00 0.00 C ATOM 650 C ASP A 45 -10.043 9.613 0.826 1.00 0.00 C ATOM 651 O ASP A 45 -10.690 10.631 1.056 1.00 0.00 O ATOM 652 CB ASP A 45 -9.380 7.483 1.960 1.00 0.00 C ATOM 653 CG ASP A 45 -8.920 8.127 3.253 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.191 9.139 3.195 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.296 7.632 4.337 1.00 0.00 O ATOM 0 H ASP A 45 -10.435 7.011 -0.369 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.302 8.404 2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.697 6.459 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.544 7.430 1.263 1.00 0.00 H new ATOM 660 N GLY A 46 -8.907 9.622 0.138 1.00 0.00 N ATOM 661 CA GLY A 46 -8.377 10.865 -0.389 1.00 0.00 C ATOM 662 C GLY A 46 -7.082 11.316 0.270 1.00 0.00 C ATOM 663 O GLY A 46 -6.331 12.095 -0.321 1.00 0.00 O ATOM 0 H GLY A 46 -8.346 8.794 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.207 10.750 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.126 11.648 -0.267 1.00 0.00 H new ATOM 667 N ARG A 47 -6.801 10.831 1.478 1.00 0.00 N ATOM 668 CA ARG A 47 -5.582 11.226 2.195 1.00 0.00 C ATOM 669 C ARG A 47 -4.327 10.700 1.498 1.00 0.00 C ATOM 670 O ARG A 47 -3.243 11.267 1.641 1.00 0.00 O ATOM 671 CB ARG A 47 -5.626 10.748 3.650 1.00 0.00 C ATOM 672 CG ARG A 47 -6.314 11.732 4.586 1.00 0.00 C ATOM 673 CD ARG A 47 -6.578 11.121 5.952 1.00 0.00 C ATOM 674 NE ARG A 47 -7.513 10.003 5.881 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.122 9.473 6.942 1.00 0.00 C ATOM 676 NH1 ARG A 47 -7.899 9.953 8.158 1.00 0.00 N ATOM 677 NH2 ARG A 47 -8.947 8.449 6.782 1.00 0.00 N ATOM 0 H ARG A 47 -7.393 10.169 1.980 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.537 12.315 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.145 9.791 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.608 10.576 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.693 12.621 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.256 12.056 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.637 10.780 6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.977 11.885 6.620 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.713 9.603 4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.257 10.735 8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.370 9.541 8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.114 8.069 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.415 8.040 7.591 1.00 0.00 H new ATOM 691 N ILE A 48 -4.482 9.627 0.740 1.00 0.00 N ATOM 692 CA ILE A 48 -3.363 9.032 0.021 1.00 0.00 C ATOM 693 C ILE A 48 -3.216 9.671 -1.357 1.00 0.00 C ATOM 694 O ILE A 48 -4.206 9.873 -2.064 1.00 0.00 O ATOM 695 CB ILE A 48 -3.538 7.503 -0.132 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.616 6.845 1.247 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.396 6.901 -0.947 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.881 5.356 1.194 1.00 0.00 C ATOM 0 H ILE A 48 -5.372 9.148 0.605 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.462 9.218 0.605 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.468 7.314 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.680 7.020 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.405 7.326 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.543 5.825 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.380 7.352 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.448 7.096 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.923 4.958 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.831 5.173 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.080 4.863 0.644 1.00 0.00 H new ATOM 710 N GLU A 49 -1.984 9.994 -1.720 1.00 0.00 N ATOM 711 CA GLU A 49 -1.691 10.610 -3.008 1.00 0.00 C ATOM 712 C GLU A 49 -0.499 9.910 -3.669 1.00 0.00 C ATOM 713 O GLU A 49 0.269 9.218 -2.996 1.00 0.00 O ATOM 714 CB GLU A 49 -1.383 12.103 -2.817 1.00 0.00 C ATOM 715 CG GLU A 49 -0.046 12.361 -2.147 1.00 0.00 C ATOM 716 CD GLU A 49 0.173 13.815 -1.815 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.403 14.288 -0.816 1.00 0.00 O ATOM 718 OE2 GLU A 49 0.926 14.489 -2.550 1.00 0.00 O ATOM 0 H GLU A 49 -1.163 9.838 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.562 10.507 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.395 12.596 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.174 12.556 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.016 11.771 -1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.755 12.018 -2.802 1.00 0.00 H new ATOM 725 N PRO A 50 -0.336 10.056 -4.996 1.00 0.00 N ATOM 726 CA PRO A 50 0.786 9.455 -5.717 1.00 0.00 C ATOM 727 C PRO A 50 2.110 10.016 -5.214 1.00 0.00 C ATOM 728 O PRO A 50 2.415 11.193 -5.419 1.00 0.00 O ATOM 729 CB PRO A 50 0.547 9.850 -7.180 1.00 0.00 C ATOM 730 CG PRO A 50 -0.891 10.234 -7.246 1.00 0.00 C ATOM 731 CD PRO A 50 -1.225 10.806 -5.898 1.00 0.00 C ATOM 0 HA PRO A 50 0.842 8.375 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.191 10.679 -7.475 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.765 9.021 -7.853 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.064 10.966 -8.035 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.516 9.370 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.034 11.878 -5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.275 10.659 -5.645 1.00 0.00 H new ATOM 739 N GLY A 51 2.877 9.183 -4.534 1.00 0.00 N ATOM 740 CA GLY A 51 4.147 9.619 -3.996 1.00 0.00 C ATOM 741 C GLY A 51 4.300 9.242 -2.538 1.00 0.00 C ATOM 742 O GLY A 51 5.402 9.291 -1.989 1.00 0.00 O ATOM 0 H GLY A 51 2.643 8.209 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.958 9.175 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.235 10.700 -4.103 1.00 0.00 H new ATOM 746 N ASP A 52 3.189 8.878 -1.905 1.00 0.00 N ATOM 747 CA ASP A 52 3.204 8.469 -0.503 1.00 0.00 C ATOM 748 C ASP A 52 3.928 7.137 -0.359 1.00 0.00 C ATOM 749 O ASP A 52 3.814 6.268 -1.226 1.00 0.00 O ATOM 750 CB ASP A 52 1.779 8.332 0.047 1.00 0.00 C ATOM 751 CG ASP A 52 1.084 9.663 0.263 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.771 10.688 0.461 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.162 9.693 0.241 1.00 0.00 O ATOM 0 H ASP A 52 2.267 8.858 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 52 3.726 9.238 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.188 7.730 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.813 7.791 0.993 1.00 0.00 H new ATOM 758 N MET A 53 4.671 6.976 0.724 1.00 0.00 N ATOM 759 CA MET A 53 5.406 5.742 0.956 1.00 0.00 C ATOM 760 C MET A 53 4.625 4.820 1.879 1.00 0.00 C ATOM 761 O MET A 53 4.103 5.254 2.902 1.00 0.00 O ATOM 762 CB MET A 53 6.784 6.036 1.553 1.00 0.00 C ATOM 763 CG MET A 53 7.654 4.797 1.710 1.00 0.00 C ATOM 764 SD MET A 53 9.391 5.194 1.989 1.00 0.00 S ATOM 765 CE MET A 53 9.335 5.902 3.634 1.00 0.00 C ATOM 0 H MET A 53 4.781 7.680 1.454 1.00 0.00 H new ATOM 0 HA MET A 53 5.542 5.245 -0.004 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.301 6.755 0.917 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.656 6.506 2.528 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.283 4.202 2.545 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.566 4.181 0.815 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.236 6.490 3.808 1.00 0.00 H new ATOM 0 HE2 MET A 53 8.460 6.545 3.724 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.275 5.102 4.372 1.00 0.00 H new ATOM 775 N LEU A 54 4.539 3.551 1.506 1.00 0.00 N ATOM 776 CA LEU A 54 3.829 2.569 2.311 1.00 0.00 C ATOM 777 C LEU A 54 4.757 1.996 3.373 1.00 0.00 C ATOM 778 O LEU A 54 5.777 1.387 3.051 1.00 0.00 O ATOM 779 CB LEU A 54 3.279 1.442 1.432 1.00 0.00 C ATOM 780 CG LEU A 54 1.984 1.769 0.688 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.667 0.685 -0.328 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.831 1.931 1.669 1.00 0.00 C ATOM 0 H LEU A 54 4.952 3.178 0.651 1.00 0.00 H new ATOM 0 HA LEU A 54 2.990 3.066 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.040 1.169 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.108 0.566 2.057 1.00 0.00 H new ATOM 0 HG LEU A 54 2.121 2.711 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.742 0.933 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.481 0.613 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.550 -0.270 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.082 2.163 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.694 1.004 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.055 2.742 2.363 1.00 0.00 H new ATOM 794 N LEU A 55 4.417 2.213 4.633 1.00 0.00 N ATOM 795 CA LEU A 55 5.232 1.719 5.733 1.00 0.00 C ATOM 796 C LEU A 55 4.718 0.373 6.229 1.00 0.00 C ATOM 797 O LEU A 55 5.353 -0.661 6.034 1.00 0.00 O ATOM 798 CB LEU A 55 5.239 2.718 6.893 1.00 0.00 C ATOM 799 CG LEU A 55 5.682 4.144 6.548 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.772 4.986 7.810 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.020 4.132 5.823 1.00 0.00 C ATOM 0 H LEU A 55 3.584 2.727 4.920 1.00 0.00 H new ATOM 0 HA LEU A 55 6.249 1.595 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.235 2.763 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.895 2.334 7.674 1.00 0.00 H new ATOM 0 HG LEU A 55 4.938 4.584 5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.088 5.997 7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.796 5.023 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.497 4.543 8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.315 5.154 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.776 3.674 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.929 3.559 4.900 1.00 0.00 H new ATOM 813 N GLN A 56 3.553 0.394 6.855 1.00 0.00 N ATOM 814 CA GLN A 56 2.963 -0.816 7.401 1.00 0.00 C ATOM 815 C GLN A 56 1.586 -1.073 6.803 1.00 0.00 C ATOM 816 O GLN A 56 0.788 -0.148 6.632 1.00 0.00 O ATOM 817 CB GLN A 56 2.861 -0.693 8.926 1.00 0.00 C ATOM 818 CG GLN A 56 2.188 -1.874 9.612 1.00 0.00 C ATOM 819 CD GLN A 56 2.126 -1.723 11.123 1.00 0.00 C ATOM 820 OE1 GLN A 56 1.199 -2.211 11.768 1.00 0.00 O ATOM 821 NE2 GLN A 56 3.108 -1.040 11.696 1.00 0.00 N ATOM 0 H GLN A 56 2.997 1.237 6.998 1.00 0.00 H new ATOM 0 HA GLN A 56 3.603 -1.660 7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.864 -0.574 9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.308 0.215 9.168 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.177 -1.987 9.221 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.729 -2.788 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.859 -0.651 11.126 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.112 -0.904 12.707 1.00 0.00 H new ATOM 830 N VAL A 57 1.320 -2.324 6.466 1.00 0.00 N ATOM 831 CA VAL A 57 0.038 -2.712 5.912 1.00 0.00 C ATOM 832 C VAL A 57 -0.536 -3.881 6.703 1.00 0.00 C ATOM 833 O VAL A 57 -0.078 -5.016 6.572 1.00 0.00 O ATOM 834 CB VAL A 57 0.140 -3.099 4.421 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.196 -3.617 3.915 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.597 -1.911 3.590 1.00 0.00 C ATOM 0 H VAL A 57 1.983 -3.093 6.568 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.623 -1.848 5.986 1.00 0.00 H new ATOM 0 HB VAL A 57 0.880 -3.893 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.107 -3.885 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.487 -4.496 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.954 -2.842 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.663 -2.204 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.120 -1.096 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.576 -1.580 3.936 1.00 0.00 H new ATOM 846 N ASN A 58 -1.522 -3.575 7.542 1.00 0.00 N ATOM 847 CA ASN A 58 -2.190 -4.572 8.378 1.00 0.00 C ATOM 848 C ASN A 58 -1.200 -5.410 9.183 1.00 0.00 C ATOM 849 O ASN A 58 -0.937 -6.565 8.840 1.00 0.00 O ATOM 850 CB ASN A 58 -3.069 -5.496 7.534 1.00 0.00 C ATOM 851 CG ASN A 58 -4.407 -4.876 7.197 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.587 -4.306 6.123 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.352 -4.977 8.117 1.00 0.00 N ATOM 0 H ASN A 58 -1.882 -2.628 7.663 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.814 -4.018 9.079 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.546 -5.746 6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.230 -6.430 8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.273 -4.573 7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.159 -5.459 8.995 1.00 0.00 H new ATOM 860 N ASP A 59 -0.633 -4.802 10.231 1.00 0.00 N ATOM 861 CA ASP A 59 0.317 -5.470 11.138 1.00 0.00 C ATOM 862 C ASP A 59 1.710 -5.643 10.531 1.00 0.00 C ATOM 863 O ASP A 59 2.715 -5.409 11.204 1.00 0.00 O ATOM 864 CB ASP A 59 -0.215 -6.835 11.590 1.00 0.00 C ATOM 865 CG ASP A 59 -1.424 -6.720 12.489 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.353 -5.977 13.491 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.454 -7.364 12.196 1.00 0.00 O ATOM 0 H ASP A 59 -0.818 -3.830 10.478 1.00 0.00 H new ATOM 0 HA ASP A 59 0.414 -4.809 12.000 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.474 -7.428 10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.574 -7.372 12.116 1.00 0.00 H new ATOM 872 N VAL A 60 1.775 -6.059 9.276 1.00 0.00 N ATOM 873 CA VAL A 60 3.054 -6.282 8.614 1.00 0.00 C ATOM 874 C VAL A 60 3.720 -4.968 8.223 1.00 0.00 C ATOM 875 O VAL A 60 3.154 -4.163 7.482 1.00 0.00 O ATOM 876 CB VAL A 60 2.907 -7.164 7.357 1.00 0.00 C ATOM 877 CG1 VAL A 60 4.249 -7.771 6.978 1.00 0.00 C ATOM 878 CG2 VAL A 60 1.876 -8.258 7.583 1.00 0.00 C ATOM 0 H VAL A 60 0.959 -6.249 8.695 1.00 0.00 H new ATOM 0 HA VAL A 60 3.682 -6.802 9.337 1.00 0.00 H new ATOM 0 HB VAL A 60 2.563 -6.535 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.130 -8.391 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.963 -6.974 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.617 -8.384 7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.789 -8.867 6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.188 -8.886 8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.910 -7.807 7.810 1.00 0.00 H new ATOM 888 N ASN A 61 4.926 -4.761 8.730 1.00 0.00 N ATOM 889 CA ASN A 61 5.693 -3.559 8.438 1.00 0.00 C ATOM 890 C ASN A 61 6.690 -3.843 7.318 1.00 0.00 C ATOM 891 O ASN A 61 7.411 -4.839 7.372 1.00 0.00 O ATOM 892 CB ASN A 61 6.422 -3.087 9.698 1.00 0.00 C ATOM 893 CG ASN A 61 6.973 -1.684 9.561 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.469 -0.882 8.778 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.007 -1.371 10.326 1.00 0.00 N ATOM 0 H ASN A 61 5.399 -5.417 9.352 1.00 0.00 H new ATOM 0 HA ASN A 61 5.016 -2.769 8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.737 -3.123 10.545 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.239 -3.774 9.920 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.413 -0.436 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.398 -2.064 10.964 1.00 0.00 H new ATOM 902 N PHE A 62 6.722 -2.986 6.305 1.00 0.00 N ATOM 903 CA PHE A 62 7.622 -3.180 5.169 1.00 0.00 C ATOM 904 C PHE A 62 8.829 -2.248 5.238 1.00 0.00 C ATOM 905 O PHE A 62 9.652 -2.230 4.325 1.00 0.00 O ATOM 906 CB PHE A 62 6.883 -2.938 3.849 1.00 0.00 C ATOM 907 CG PHE A 62 5.662 -3.796 3.658 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.677 -5.140 3.996 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.500 -3.256 3.133 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.556 -5.925 3.816 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.376 -4.038 2.949 1.00 0.00 C ATOM 912 CZ PHE A 62 3.404 -5.375 3.293 1.00 0.00 C ATOM 0 H PHE A 62 6.138 -2.152 6.244 1.00 0.00 H new ATOM 0 HA PHE A 62 7.973 -4.211 5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.588 -1.890 3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.571 -3.116 3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.576 -5.578 4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.472 -2.210 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.581 -6.971 4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.477 -3.604 2.537 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.526 -5.989 3.153 1.00 0.00 H new ATOM 922 N GLU A 63 8.940 -1.494 6.328 1.00 0.00 N ATOM 923 CA GLU A 63 10.043 -0.549 6.505 1.00 0.00 C ATOM 924 C GLU A 63 11.410 -1.231 6.432 1.00 0.00 C ATOM 925 O GLU A 63 12.384 -0.623 5.998 1.00 0.00 O ATOM 926 CB GLU A 63 9.908 0.181 7.837 1.00 0.00 C ATOM 927 CG GLU A 63 8.810 1.230 7.849 1.00 0.00 C ATOM 928 CD GLU A 63 8.639 1.868 9.210 1.00 0.00 C ATOM 929 OE1 GLU A 63 8.912 1.192 10.226 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.240 3.047 9.277 1.00 0.00 O ATOM 0 H GLU A 63 8.279 -1.518 7.105 1.00 0.00 H new ATOM 0 HA GLU A 63 9.983 0.165 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.710 -0.548 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.858 0.659 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.040 2.002 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.869 0.771 7.545 1.00 0.00 H new ATOM 937 N ASN A 64 11.482 -2.482 6.864 1.00 0.00 N ATOM 938 CA ASN A 64 12.742 -3.220 6.838 1.00 0.00 C ATOM 939 C ASN A 64 12.640 -4.443 5.937 1.00 0.00 C ATOM 940 O ASN A 64 13.237 -5.481 6.216 1.00 0.00 O ATOM 941 CB ASN A 64 13.148 -3.650 8.251 1.00 0.00 C ATOM 942 CG ASN A 64 14.229 -2.770 8.849 1.00 0.00 C ATOM 943 OD1 ASN A 64 15.042 -2.182 8.133 1.00 0.00 O ATOM 944 ND2 ASN A 64 14.246 -2.674 10.169 1.00 0.00 N ATOM 0 H ASN A 64 10.690 -3.007 7.235 1.00 0.00 H new ATOM 0 HA ASN A 64 13.506 -2.554 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.271 -3.629 8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.500 -4.681 8.224 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.950 -2.097 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.555 -3.177 10.726 1.00 0.00 H new ATOM 951 N MET A 65 11.883 -4.319 4.858 1.00 0.00 N ATOM 952 CA MET A 65 11.712 -5.417 3.915 1.00 0.00 C ATOM 953 C MET A 65 12.063 -4.965 2.503 1.00 0.00 C ATOM 954 O MET A 65 12.120 -3.767 2.221 1.00 0.00 O ATOM 955 CB MET A 65 10.277 -5.949 3.967 1.00 0.00 C ATOM 956 CG MET A 65 9.993 -6.790 5.202 1.00 0.00 C ATOM 957 SD MET A 65 8.258 -7.249 5.362 1.00 0.00 S ATOM 958 CE MET A 65 7.993 -8.082 3.803 1.00 0.00 C ATOM 0 H MET A 65 11.376 -3.469 4.612 1.00 0.00 H new ATOM 0 HA MET A 65 12.389 -6.224 4.197 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.584 -5.108 3.941 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.086 -6.547 3.076 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.600 -7.695 5.165 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.299 -6.236 6.089 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.489 -9.032 3.979 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.375 -7.458 3.158 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.953 -8.264 3.320 1.00 0.00 H new ATOM 968 N SER A 66 12.326 -5.921 1.624 1.00 0.00 N ATOM 969 CA SER A 66 12.671 -5.615 0.250 1.00 0.00 C ATOM 970 C SER A 66 11.433 -5.200 -0.534 1.00 0.00 C ATOM 971 O SER A 66 10.307 -5.517 -0.146 1.00 0.00 O ATOM 972 CB SER A 66 13.323 -6.831 -0.405 1.00 0.00 C ATOM 973 OG SER A 66 12.380 -7.872 -0.602 1.00 0.00 O ATOM 0 H SER A 66 12.306 -6.917 1.842 1.00 0.00 H new ATOM 0 HA SER A 66 13.377 -4.784 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.757 -6.543 -1.363 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.140 -7.190 0.220 1.00 0.00 H new ATOM 0 HG SER A 66 12.503 -8.560 0.085 1.00 0.00 H new ATOM 979 N ASN A 67 11.647 -4.506 -1.645 1.00 0.00 N ATOM 980 CA ASN A 67 10.545 -4.050 -2.485 1.00 0.00 C ATOM 981 C ASN A 67 9.754 -5.244 -3.003 1.00 0.00 C ATOM 982 O ASN A 67 8.529 -5.189 -3.124 1.00 0.00 O ATOM 983 CB ASN A 67 11.060 -3.230 -3.670 1.00 0.00 C ATOM 984 CG ASN A 67 11.755 -1.943 -3.257 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.453 -1.357 -2.219 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.692 -1.492 -4.081 1.00 0.00 N ATOM 0 H ASN A 67 12.573 -4.246 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 67 9.899 -3.417 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.754 -3.839 -4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.224 -2.988 -4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.191 -0.630 -3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.913 -2.008 -4.933 1.00 0.00 H new ATOM 993 N ASP A 68 10.468 -6.325 -3.297 1.00 0.00 N ATOM 994 CA ASP A 68 9.851 -7.548 -3.800 1.00 0.00 C ATOM 995 C ASP A 68 8.980 -8.195 -2.732 1.00 0.00 C ATOM 996 O ASP A 68 7.819 -8.526 -2.977 1.00 0.00 O ATOM 997 CB ASP A 68 10.922 -8.543 -4.263 1.00 0.00 C ATOM 998 CG ASP A 68 11.376 -8.302 -5.692 1.00 0.00 C ATOM 999 OD1 ASP A 68 12.132 -7.336 -5.926 1.00 0.00 O ATOM 1000 OD2 ASP A 68 10.998 -9.088 -6.584 1.00 0.00 O ATOM 0 H ASP A 68 11.481 -6.379 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 68 9.224 -7.279 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.783 -8.477 -3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.530 -9.556 -4.178 1.00 0.00 H new ATOM 1005 N ASP A 69 9.541 -8.355 -1.536 1.00 0.00 N ATOM 1006 CA ASP A 69 8.828 -8.981 -0.425 1.00 0.00 C ATOM 1007 C ASP A 69 7.639 -8.142 0.024 1.00 0.00 C ATOM 1008 O ASP A 69 6.581 -8.682 0.352 1.00 0.00 O ATOM 1009 CB ASP A 69 9.764 -9.210 0.760 1.00 0.00 C ATOM 1010 CG ASP A 69 10.711 -10.368 0.532 1.00 0.00 C ATOM 1011 OD1 ASP A 69 10.249 -11.441 0.099 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.927 -10.205 0.781 1.00 0.00 O ATOM 0 H ASP A 69 10.491 -8.059 -1.311 1.00 0.00 H new ATOM 0 HA ASP A 69 8.457 -9.941 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.341 -8.304 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.172 -9.399 1.656 1.00 0.00 H new ATOM 1017 N ALA A 70 7.820 -6.825 0.032 1.00 0.00 N ATOM 1018 CA ALA A 70 6.764 -5.906 0.430 1.00 0.00 C ATOM 1019 C ALA A 70 5.513 -6.136 -0.407 1.00 0.00 C ATOM 1020 O ALA A 70 4.418 -6.310 0.125 1.00 0.00 O ATOM 1021 CB ALA A 70 7.245 -4.469 0.290 1.00 0.00 C ATOM 0 H ALA A 70 8.693 -6.370 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 70 6.513 -6.091 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.449 -3.788 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.115 -4.313 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.516 -4.276 -0.748 1.00 0.00 H new ATOM 1027 N VAL A 71 5.690 -6.166 -1.720 1.00 0.00 N ATOM 1028 CA VAL A 71 4.575 -6.382 -2.630 1.00 0.00 C ATOM 1029 C VAL A 71 4.015 -7.796 -2.480 1.00 0.00 C ATOM 1030 O VAL A 71 2.803 -7.998 -2.551 1.00 0.00 O ATOM 1031 CB VAL A 71 4.988 -6.144 -4.097 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.814 -6.345 -5.045 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.564 -4.750 -4.266 1.00 0.00 C ATOM 0 H VAL A 71 6.593 -6.044 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 71 3.802 -5.661 -2.366 1.00 0.00 H new ATOM 0 HB VAL A 71 5.754 -6.878 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.140 -6.169 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.442 -7.365 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.018 -5.644 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.850 -4.598 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.815 -4.010 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.441 -4.639 -3.628 1.00 0.00 H new ATOM 1043 N ARG A 72 4.901 -8.769 -2.265 1.00 0.00 N ATOM 1044 CA ARG A 72 4.494 -10.169 -2.102 1.00 0.00 C ATOM 1045 C ARG A 72 3.472 -10.331 -0.981 1.00 0.00 C ATOM 1046 O ARG A 72 2.413 -10.930 -1.179 1.00 0.00 O ATOM 1047 CB ARG A 72 5.701 -11.056 -1.806 1.00 0.00 C ATOM 1048 CG ARG A 72 6.526 -11.405 -3.031 1.00 0.00 C ATOM 1049 CD ARG A 72 7.673 -12.337 -2.676 1.00 0.00 C ATOM 1050 NE ARG A 72 8.559 -12.560 -3.814 1.00 0.00 N ATOM 1051 CZ ARG A 72 9.866 -12.297 -3.809 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.462 -11.841 -2.709 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.580 -12.506 -4.908 1.00 0.00 N ATOM 0 H ARG A 72 5.907 -8.615 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 72 4.036 -10.476 -3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.341 -10.552 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.355 -11.978 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.889 -11.877 -3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.921 -10.493 -3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.243 -11.914 -1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.274 -13.291 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 72 8.152 -12.942 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.918 -11.690 -1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.463 -11.643 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.128 -12.865 -5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.580 -12.307 -4.912 1.00 0.00 H new ATOM 1067 N VAL A 73 3.797 -9.803 0.193 1.00 0.00 N ATOM 1068 CA VAL A 73 2.902 -9.897 1.340 1.00 0.00 C ATOM 1069 C VAL A 73 1.631 -9.102 1.088 1.00 0.00 C ATOM 1070 O VAL A 73 0.530 -9.552 1.406 1.00 0.00 O ATOM 1071 CB VAL A 73 3.568 -9.398 2.640 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.692 -9.711 3.844 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.945 -10.017 2.812 1.00 0.00 C ATOM 0 H VAL A 73 4.670 -9.307 0.376 1.00 0.00 H new ATOM 0 HA VAL A 73 2.660 -10.952 1.468 1.00 0.00 H new ATOM 0 HB VAL A 73 3.685 -8.317 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.178 -9.352 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.727 -9.218 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.543 -10.788 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.396 -9.651 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.853 -11.102 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.576 -9.742 1.966 1.00 0.00 H new ATOM 1083 N LEU A 74 1.790 -7.928 0.488 1.00 0.00 N ATOM 1084 CA LEU A 74 0.658 -7.067 0.183 1.00 0.00 C ATOM 1085 C LEU A 74 -0.332 -7.784 -0.728 1.00 0.00 C ATOM 1086 O LEU A 74 -1.540 -7.668 -0.549 1.00 0.00 O ATOM 1087 CB LEU A 74 1.136 -5.771 -0.478 1.00 0.00 C ATOM 1088 CG LEU A 74 0.031 -4.769 -0.819 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.610 -4.229 0.447 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.582 -3.632 -1.663 1.00 0.00 C ATOM 0 H LEU A 74 2.694 -7.552 0.203 1.00 0.00 H new ATOM 0 HA LEU A 74 0.155 -6.821 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.852 -5.286 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.670 -6.024 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.734 -5.287 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.393 -3.518 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.043 -5.052 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.146 -3.728 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.219 -2.930 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.368 -3.116 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.993 -4.033 -2.590 1.00 0.00 H new ATOM 1102 N ARG A 75 0.188 -8.537 -1.689 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.651 -9.270 -2.633 1.00 0.00 C ATOM 1104 C ARG A 75 -1.561 -10.254 -1.906 1.00 0.00 C ATOM 1105 O ARG A 75 -2.724 -10.420 -2.268 1.00 0.00 O ATOM 1106 CB ARG A 75 0.203 -10.011 -3.662 1.00 0.00 C ATOM 1107 CG ARG A 75 0.926 -9.089 -4.630 1.00 0.00 C ATOM 1108 CD ARG A 75 1.590 -9.855 -5.760 1.00 0.00 C ATOM 1109 NE ARG A 75 0.615 -10.310 -6.750 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.635 -9.963 -8.036 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.599 -9.183 -8.509 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -0.318 -10.402 -8.850 1.00 0.00 N ATOM 0 H ARG A 75 1.190 -8.657 -1.837 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.273 -8.542 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.938 -10.623 -3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.434 -10.691 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.217 -8.373 -5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.679 -8.515 -4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.331 -9.219 -6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.124 -10.714 -5.353 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.129 -10.933 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.332 -8.844 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.606 -8.922 -9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.060 -11.002 -8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.308 -10.139 -9.836 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.029 -10.892 -0.872 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.799 -11.856 -0.095 1.00 0.00 C ATOM 1128 C GLU A 76 -2.888 -11.147 0.706 1.00 0.00 C ATOM 1129 O GLU A 76 -4.031 -11.600 0.753 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.882 -12.636 0.845 1.00 0.00 C ATOM 1131 CG GLU A 76 0.261 -13.346 0.141 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.214 -14.317 -0.924 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.177 -15.075 -0.669 1.00 0.00 O ATOM 1134 OE2 GLU A 76 0.389 -14.345 -2.018 1.00 0.00 O ATOM 0 H GLU A 76 -0.070 -10.760 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.271 -12.555 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.470 -11.951 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.475 -13.372 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.916 -12.604 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.856 -13.885 0.878 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.522 -10.026 1.321 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.459 -9.235 2.115 1.00 0.00 C ATOM 1143 C ILE A 77 -4.551 -8.636 1.227 1.00 0.00 C ATOM 1144 O ILE A 77 -5.732 -8.659 1.573 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.736 -8.096 2.873 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.608 -8.667 3.738 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.722 -7.311 3.732 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.732 -7.611 4.377 1.00 0.00 C ATOM 0 H ILE A 77 -1.577 -9.643 1.285 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.912 -9.908 2.843 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.303 -7.414 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.043 -9.288 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.986 -9.318 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.194 -6.515 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.493 -6.877 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.184 -7.980 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.043 -8.093 4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.267 -7.005 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.340 -6.974 5.019 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.144 -8.114 0.077 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.069 -7.512 -0.876 1.00 0.00 C ATOM 1162 C VAL A 78 -6.058 -8.548 -1.413 1.00 0.00 C ATOM 1163 O VAL A 78 -7.230 -8.245 -1.641 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.294 -6.847 -2.042 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.191 -6.584 -3.246 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.650 -5.555 -1.567 1.00 0.00 C ATOM 0 H VAL A 78 -3.169 -8.096 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.637 -6.743 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.517 -7.541 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.607 -6.117 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.603 -7.527 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.005 -5.919 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.107 -5.094 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.422 -4.872 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.958 -5.771 -0.753 1.00 0.00 H new ATOM 1176 N SER A 79 -5.592 -9.774 -1.586 1.00 0.00 N ATOM 1177 CA SER A 79 -6.441 -10.847 -2.087 1.00 0.00 C ATOM 1178 C SER A 79 -7.176 -11.540 -0.938 1.00 0.00 C ATOM 1179 O SER A 79 -7.801 -12.585 -1.125 1.00 0.00 O ATOM 1180 CB SER A 79 -5.598 -11.859 -2.866 1.00 0.00 C ATOM 1181 OG SER A 79 -4.767 -11.206 -3.812 1.00 0.00 O ATOM 0 H SER A 79 -4.631 -10.053 -1.388 1.00 0.00 H new ATOM 0 HA SER A 79 -7.186 -10.416 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.984 -12.436 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.252 -12.566 -3.377 1.00 0.00 H new ATOM 0 HG SER A 79 -3.998 -10.808 -3.353 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.099 -10.955 0.249 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.751 -11.514 1.422 1.00 0.00 C ATOM 1189 C GLN A 80 -9.001 -10.713 1.768 1.00 0.00 C ATOM 1190 O GLN A 80 -9.031 -9.493 1.610 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.783 -11.527 2.611 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.845 -12.803 3.435 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.351 -14.027 2.680 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.869 -15.129 2.862 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.341 -13.852 1.844 1.00 0.00 N ATOM 0 H GLN A 80 -6.589 -10.089 0.424 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.047 -12.539 1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.766 -11.392 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.003 -10.677 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.247 -12.675 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.873 -12.972 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.937 -12.924 1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.966 -14.645 1.324 1.00 0.00 H new ATOM 1204 N THR A 81 -10.040 -11.401 2.208 1.00 0.00 N ATOM 1205 CA THR A 81 -11.277 -10.745 2.581 1.00 0.00 C ATOM 1206 C THR A 81 -11.185 -10.193 4.005 1.00 0.00 C ATOM 1207 O THR A 81 -10.944 -10.941 4.956 1.00 0.00 O ATOM 1208 CB THR A 81 -12.467 -11.719 2.474 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.986 -13.055 2.243 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.403 -11.308 1.347 1.00 0.00 C ATOM 0 H THR A 81 -10.050 -12.415 2.315 1.00 0.00 H new ATOM 0 HA THR A 81 -11.439 -9.917 1.890 1.00 0.00 H new ATOM 0 HB THR A 81 -13.021 -11.689 3.412 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.746 -13.670 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.235 -12.010 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.786 -10.306 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.859 -11.313 0.402 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.353 -8.884 4.144 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.287 -8.257 5.449 1.00 0.00 C ATOM 1220 C GLY A 82 -10.978 -6.776 5.359 1.00 0.00 C ATOM 1221 O GLY A 82 -10.781 -6.253 4.261 1.00 0.00 O ATOM 0 H GLY A 82 -11.535 -8.243 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.236 -8.397 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.522 -8.750 6.049 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.935 -6.070 6.501 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.650 -4.636 6.534 1.00 0.00 C ATOM 1227 C PRO A 83 -9.160 -4.331 6.374 1.00 0.00 C ATOM 1228 O PRO A 83 -8.356 -4.580 7.277 1.00 0.00 O ATOM 1229 CB PRO A 83 -11.149 -4.213 7.917 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.020 -5.429 8.769 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.161 -6.620 7.852 1.00 0.00 C ATOM 0 HA PRO A 83 -11.129 -4.103 5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.556 -3.389 8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.183 -3.870 7.875 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.056 -5.444 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.788 -5.443 9.542 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.434 -7.395 8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.149 -7.073 7.937 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.798 -3.801 5.216 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.409 -3.464 4.929 1.00 0.00 C ATOM 1241 C ILE A 84 -7.068 -2.062 5.437 1.00 0.00 C ATOM 1242 O ILE A 84 -7.807 -1.104 5.202 1.00 0.00 O ATOM 1243 CB ILE A 84 -7.111 -3.562 3.412 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.269 -5.015 2.944 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.712 -3.045 3.090 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -7.016 -5.217 1.462 1.00 0.00 C ATOM 0 H ILE A 84 -9.447 -3.594 4.457 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.784 -4.187 5.453 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.826 -2.935 2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.581 -5.645 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.278 -5.354 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.532 -3.126 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.631 -2.001 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.972 -3.638 3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.147 -6.269 1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.721 -4.616 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.998 -4.911 1.222 1.00 0.00 H new ATOM 1258 N SER A 85 -5.954 -1.957 6.146 1.00 0.00 N ATOM 1259 CA SER A 85 -5.495 -0.690 6.690 1.00 0.00 C ATOM 1260 C SER A 85 -4.095 -0.375 6.169 1.00 0.00 C ATOM 1261 O SER A 85 -3.174 -1.185 6.303 1.00 0.00 O ATOM 1262 CB SER A 85 -5.500 -0.742 8.217 1.00 0.00 C ATOM 1263 OG SER A 85 -6.717 -1.289 8.710 1.00 0.00 O ATOM 0 H SER A 85 -5.345 -2.747 6.360 1.00 0.00 H new ATOM 0 HA SER A 85 -6.172 0.102 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.661 -1.344 8.566 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.361 0.262 8.618 1.00 0.00 H new ATOM 0 HG SER A 85 -6.692 -1.312 9.689 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.937 0.802 5.583 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.661 1.208 5.022 1.00 0.00 C ATOM 1271 C LEU A 86 -2.042 2.348 5.821 1.00 0.00 C ATOM 1272 O LEU A 86 -2.724 3.300 6.200 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.838 1.648 3.564 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.573 0.656 2.660 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.944 1.313 1.342 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.719 -0.576 2.411 1.00 0.00 C ATOM 0 H LEU A 86 -4.680 1.494 5.484 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.992 0.349 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.380 2.594 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.853 1.839 3.139 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.488 0.346 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.466 0.594 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.593 2.168 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.039 1.650 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.259 -1.269 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.788 -0.281 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.497 -1.063 3.361 1.00 0.00 H new ATOM 1288 N THR A 87 -0.751 2.234 6.084 1.00 0.00 N ATOM 1289 CA THR A 87 -0.017 3.261 6.802 1.00 0.00 C ATOM 1290 C THR A 87 0.925 3.961 5.831 1.00 0.00 C ATOM 1291 O THR A 87 1.958 3.406 5.451 1.00 0.00 O ATOM 1292 CB THR A 87 0.785 2.660 7.970 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.036 1.597 8.570 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.096 3.709 9.019 1.00 0.00 C ATOM 0 H THR A 87 -0.185 1.432 5.807 1.00 0.00 H new ATOM 0 HA THR A 87 -0.727 3.975 7.219 1.00 0.00 H new ATOM 0 HB THR A 87 1.726 2.278 7.575 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.148 0.779 8.042 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.663 3.254 9.831 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.684 4.510 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.165 4.118 9.411 1.00 0.00 H new ATOM 1302 N VAL A 88 0.558 5.164 5.413 1.00 0.00 N ATOM 1303 CA VAL A 88 1.357 5.908 4.450 1.00 0.00 C ATOM 1304 C VAL A 88 2.157 7.028 5.105 1.00 0.00 C ATOM 1305 O VAL A 88 1.722 7.634 6.084 1.00 0.00 O ATOM 1306 CB VAL A 88 0.481 6.511 3.327 1.00 0.00 C ATOM 1307 CG1 VAL A 88 -0.068 5.412 2.432 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.646 7.349 3.912 1.00 0.00 C ATOM 0 H VAL A 88 -0.286 5.645 5.725 1.00 0.00 H new ATOM 0 HA VAL A 88 2.052 5.186 4.020 1.00 0.00 H new ATOM 0 HB VAL A 88 1.105 7.166 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.682 5.854 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.759 4.864 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.675 4.729 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.249 7.763 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.272 6.723 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.225 8.162 4.504 1.00 0.00 H new ATOM 1318 N ALA A 89 3.335 7.277 4.562 1.00 0.00 N ATOM 1319 CA ALA A 89 4.202 8.332 5.049 1.00 0.00 C ATOM 1320 C ALA A 89 4.211 9.482 4.057 1.00 0.00 C ATOM 1321 O ALA A 89 4.670 9.330 2.921 1.00 0.00 O ATOM 1322 CB ALA A 89 5.612 7.807 5.270 1.00 0.00 C ATOM 0 H ALA A 89 3.716 6.755 3.773 1.00 0.00 H new ATOM 0 HA ALA A 89 3.822 8.690 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.247 8.614 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.589 7.002 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.011 7.429 4.329 1.00 0.00 H new ATOM 1328 N LYS A 90 3.683 10.618 4.478 1.00 0.00 N ATOM 1329 CA LYS A 90 3.617 11.795 3.632 1.00 0.00 C ATOM 1330 C LYS A 90 4.686 12.795 4.044 1.00 0.00 C ATOM 1331 O LYS A 90 4.585 13.341 5.166 1.00 0.00 O ATOM 1332 CB LYS A 90 2.233 12.438 3.723 1.00 0.00 C ATOM 1333 CG LYS A 90 1.091 11.457 3.506 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.260 12.152 3.532 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.464 13.033 2.310 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.547 12.242 1.058 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.624 13.026 3.255 1.00 0.00 O ATOM 0 H LYS A 90 3.290 10.750 5.410 1.00 0.00 H new ATOM 0 HA LYS A 90 3.794 11.493 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.121 12.902 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.162 13.235 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.222 10.952 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.120 10.688 4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.052 11.405 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.340 12.758 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.378 13.615 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.359 13.744 2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.837 12.862 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.383 11.828 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.246 11.481 1.174 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.162 -4.335 -8.537 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.219 -3.313 -8.602 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.148 -3.387 -9.552 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.121 -2.596 -9.296 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -0.999 -2.858 -8.149 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.693 -3.914 -7.053 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.289 -4.911 -6.842 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.229 -5.668 -5.723 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.782 -5.480 -4.778 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.809 -6.249 -3.681 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.755 -4.508 -4.966 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.701 -3.741 -6.095 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.605 -2.613 -6.582 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.751 -2.117 -5.656 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.113 -2.314 -6.294 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.374 -1.686 -7.428 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -5.980 -3.032 -5.776 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.223 -2.093 -7.772 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -2.886 -1.003 -8.522 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.062 -4.477 -10.398 1.00 20.00 C HETATM 1372 C3 SUZ A 91 2.023 -5.527 -10.328 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.059 -5.460 -9.407 1.00 20.00 C HETATM 1374 S SUZ A 91 4.257 -6.713 -9.281 1.00 20.00 S HETATM 1375 O1 SUZ A 91 3.962 -7.651 -8.235 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.690 -5.790 -8.814 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.712 -2.655 -4.709 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.189 -0.175 -8.652 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.198 -1.371 -9.499 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -3.759 -0.659 -7.968 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.392 -1.801 -9.991 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.252 -4.534 -11.125 1.00 20.00 H new HETATM 0 H3 SUZ A 91 1.944 -6.383 -10.998 1.00 20.00 H new HETATM 0 H20 SUZ A 91 3.981 -4.275 -7.820 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.586 -6.363 -9.054 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.707 -4.845 -9.357 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.295 -2.457 -7.931 1.00 20.00 H new HETATM 0 H17 SUZ A 91 1.083 -5.067 -7.572 1.00 20.00 H new HETATM 0 H16 SUZ A 91 0.982 -6.438 -5.556 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.544 -4.360 -4.229 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.605 -1.061 -5.430 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.662 -5.592 -7.742 1.00 20.00 H new