USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 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 23 SER OG : rot 180:sc= 0.132 USER MOD Set 1.2: A 67 ASN : amide:sc= 1.17 K(o=1.3,f=-2!) USER MOD Set 2.1: A 22 GLN : amide:sc= -0.77 K(o=-0.7,f=0.13) USER MOD Set 2.2: A 32 TYR OH : rot -31:sc= 0.0705 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0.612 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.59) USER MOD Single : A 1 ASN N :NH3+ -162:sc= 1.23 (180deg=1.08) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.891 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.12 K(o=1.1,f=-7.1!) USER MOD Single : A 9 MET CE :methyl -173:sc= 0 (180deg=-0.0696) USER MOD Single : A 12 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.744 K(o=-0.74,f=-3.4!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 149:sc= 0 (180deg=-1.16) USER MOD Single : A 56 GLN : amide:sc= -1.22! K(o=-1.2!,f=0.12) USER MOD Single : A 58 ASN : amide:sc= -1.28! C(o=-1.3!,f=-9!) USER MOD Single : A 61 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.3!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl 147:sc= -0.413 (180deg=-1.44) USER MOD Single : A 66 SER OG : rot 180:sc= -0.272 USER MOD Single : A 79 SER OG : rot 71:sc= 1.2 USER MOD Single : A 80 GLN : amide:sc= -0.173! X(o=-0.17!,f=-0.12) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 74:sc= -1.1 USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 1.27 (180deg=0.914) USER MOD Single : A 91 SUZ C1 :methyl -169:sc= -0.436 (180deg=-0.891) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.012 13.085 7.676 1.00 0.00 N ATOM 2 CA ASN A 1 3.745 12.820 8.399 1.00 0.00 C ATOM 3 C ASN A 1 3.212 11.434 8.049 1.00 0.00 C ATOM 4 O ASN A 1 2.904 11.158 6.894 1.00 0.00 O ATOM 5 CB ASN A 1 2.705 13.882 8.030 1.00 0.00 C ATOM 6 CG ASN A 1 1.342 13.611 8.646 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.238 13.018 9.720 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.289 14.050 7.974 1.00 0.00 N ATOM 0 H1 ASN A 1 5.516 13.870 8.135 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.608 12.233 7.696 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.802 13.338 6.689 1.00 0.00 H new ATOM 0 HA ASN A 1 3.940 12.861 9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.059 14.860 8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.606 13.926 6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.650 13.901 8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.417 14.537 7.087 1.00 0.00 H new ATOM 17 N ILE A 2 3.098 10.564 9.045 1.00 0.00 N ATOM 18 CA ILE A 2 2.601 9.212 8.819 1.00 0.00 C ATOM 19 C ILE A 2 1.116 9.126 9.159 1.00 0.00 C ATOM 20 O ILE A 2 0.697 9.488 10.260 1.00 0.00 O ATOM 21 CB ILE A 2 3.378 8.170 9.653 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.876 8.250 9.349 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.858 6.769 9.364 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.728 7.400 10.267 1.00 0.00 C ATOM 0 H ILE A 2 3.342 10.769 10.014 1.00 0.00 H new ATOM 0 HA ILE A 2 2.750 8.986 7.763 1.00 0.00 H new ATOM 0 HB ILE A 2 3.226 8.390 10.710 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.046 7.939 8.318 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.199 9.288 9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.415 6.045 9.959 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.800 6.713 9.621 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.986 6.544 8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.777 7.507 9.992 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.588 7.725 11.298 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.433 6.355 10.173 1.00 0.00 H new ATOM 36 N ILE A 3 0.321 8.657 8.210 1.00 0.00 N ATOM 37 CA ILE A 3 -1.116 8.533 8.413 1.00 0.00 C ATOM 38 C ILE A 3 -1.585 7.101 8.168 1.00 0.00 C ATOM 39 O ILE A 3 -1.226 6.487 7.164 1.00 0.00 O ATOM 40 CB ILE A 3 -1.901 9.493 7.482 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.641 10.950 7.878 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.395 9.194 7.523 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.412 11.958 7.052 1.00 0.00 C ATOM 0 H ILE A 3 0.645 8.356 7.291 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.315 8.802 9.450 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.551 9.337 6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.900 11.082 8.929 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.575 11.157 7.784 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.922 9.881 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.570 8.169 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.763 9.317 8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.174 12.966 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.136 11.855 6.002 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.481 11.779 7.165 1.00 0.00 H new ATOM 55 N THR A 4 -2.375 6.574 9.096 1.00 0.00 N ATOM 56 CA THR A 4 -2.910 5.224 8.976 1.00 0.00 C ATOM 57 C THR A 4 -4.399 5.284 8.639 1.00 0.00 C ATOM 58 O THR A 4 -5.197 5.808 9.420 1.00 0.00 O ATOM 59 CB THR A 4 -2.706 4.433 10.279 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.443 4.780 10.860 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.752 2.938 10.019 1.00 0.00 C ATOM 0 H THR A 4 -2.660 7.064 9.944 1.00 0.00 H new ATOM 0 HA THR A 4 -2.374 4.714 8.175 1.00 0.00 H new ATOM 0 HB THR A 4 -3.512 4.689 10.967 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.316 4.276 11.691 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.605 2.401 10.956 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.721 2.672 9.596 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.963 2.666 9.318 1.00 0.00 H new ATOM 69 N VAL A 5 -4.766 4.769 7.475 1.00 0.00 N ATOM 70 CA VAL A 5 -6.156 4.790 7.040 1.00 0.00 C ATOM 71 C VAL A 5 -6.733 3.380 6.949 1.00 0.00 C ATOM 72 O VAL A 5 -6.024 2.430 6.620 1.00 0.00 O ATOM 73 CB VAL A 5 -6.311 5.485 5.662 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.612 6.834 5.654 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.776 4.614 4.531 1.00 0.00 C ATOM 0 H VAL A 5 -4.123 4.332 6.815 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.707 5.357 7.791 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.377 5.639 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.735 7.302 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.048 7.474 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.550 6.695 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.901 5.134 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.718 4.412 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.326 3.673 4.505 1.00 0.00 H new ATOM 85 N THR A 6 -8.015 3.248 7.257 1.00 0.00 N ATOM 86 CA THR A 6 -8.689 1.965 7.169 1.00 0.00 C ATOM 87 C THR A 6 -9.631 1.980 5.968 1.00 0.00 C ATOM 88 O THR A 6 -10.428 2.909 5.795 1.00 0.00 O ATOM 89 CB THR A 6 -9.463 1.616 8.467 1.00 0.00 C ATOM 90 OG1 THR A 6 -10.137 0.357 8.321 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.478 2.692 8.823 1.00 0.00 C ATOM 0 H THR A 6 -8.608 4.016 7.570 1.00 0.00 H new ATOM 0 HA THR A 6 -7.933 1.190 7.041 1.00 0.00 H new ATOM 0 HB THR A 6 -8.733 1.553 9.274 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.620 0.147 9.147 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.000 2.411 9.738 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.964 3.641 8.975 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.198 2.795 8.012 1.00 0.00 H new ATOM 99 N LEU A 7 -9.513 0.972 5.120 1.00 0.00 N ATOM 100 CA LEU A 7 -10.337 0.882 3.926 1.00 0.00 C ATOM 101 C LEU A 7 -11.382 -0.218 4.049 1.00 0.00 C ATOM 102 O LEU A 7 -11.218 -1.171 4.817 1.00 0.00 O ATOM 103 CB LEU A 7 -9.456 0.633 2.699 1.00 0.00 C ATOM 104 CG LEU A 7 -8.287 1.608 2.532 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.343 1.116 1.455 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.794 3.002 2.196 1.00 0.00 C ATOM 0 H LEU A 7 -8.853 0.203 5.237 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.862 1.830 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.059 -0.380 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.080 0.681 1.807 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.744 1.660 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.517 1.819 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.953 0.137 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.879 1.038 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.948 3.679 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.360 2.969 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.438 3.359 3.000 1.00 0.00 H new ATOM 118 N ASN A 8 -12.458 -0.068 3.292 1.00 0.00 N ATOM 119 CA ASN A 8 -13.546 -1.037 3.283 1.00 0.00 C ATOM 120 C ASN A 8 -13.411 -1.946 2.069 1.00 0.00 C ATOM 121 O ASN A 8 -13.563 -1.499 0.930 1.00 0.00 O ATOM 122 CB ASN A 8 -14.897 -0.315 3.264 1.00 0.00 C ATOM 123 CG ASN A 8 -16.077 -1.268 3.160 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.502 -1.633 2.066 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.628 -1.661 4.295 1.00 0.00 N ATOM 0 H ASN A 8 -12.603 0.726 2.668 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.494 -1.644 4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.997 0.281 4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.921 0.378 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.433 -2.288 4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.248 -1.338 5.185 1.00 0.00 H new ATOM 132 N MET A 9 -13.134 -3.217 2.316 1.00 0.00 N ATOM 133 CA MET A 9 -12.954 -4.182 1.235 1.00 0.00 C ATOM 134 C MET A 9 -14.237 -4.952 0.952 1.00 0.00 C ATOM 135 O MET A 9 -14.204 -6.039 0.374 1.00 0.00 O ATOM 136 CB MET A 9 -11.821 -5.154 1.570 1.00 0.00 C ATOM 137 CG MET A 9 -10.461 -4.482 1.662 1.00 0.00 C ATOM 138 SD MET A 9 -9.986 -3.648 0.133 1.00 0.00 S ATOM 139 CE MET A 9 -9.610 -5.053 -0.913 1.00 0.00 C ATOM 0 H MET A 9 -13.028 -3.607 3.253 1.00 0.00 H new ATOM 0 HA MET A 9 -12.692 -3.624 0.336 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.041 -5.645 2.518 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.783 -5.933 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.473 -3.758 2.476 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.708 -5.229 1.912 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.182 -4.703 -1.852 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.894 -5.702 -0.408 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.524 -5.610 -1.116 1.00 0.00 H new ATOM 149 N GLU A 10 -15.366 -4.396 1.367 1.00 0.00 N ATOM 150 CA GLU A 10 -16.655 -5.027 1.128 1.00 0.00 C ATOM 151 C GLU A 10 -17.315 -4.381 -0.080 1.00 0.00 C ATOM 152 O GLU A 10 -17.602 -5.044 -1.078 1.00 0.00 O ATOM 153 CB GLU A 10 -17.558 -4.904 2.357 1.00 0.00 C ATOM 154 CG GLU A 10 -16.911 -5.403 3.641 1.00 0.00 C ATOM 155 CD GLU A 10 -16.328 -6.795 3.506 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.084 -7.740 3.197 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.107 -6.952 3.707 1.00 0.00 O ATOM 0 H GLU A 10 -15.415 -3.510 1.870 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.499 -6.088 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.842 -3.860 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.476 -5.465 2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.122 -4.711 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.653 -5.401 4.440 1.00 0.00 H new ATOM 164 N ARG A 11 -17.525 -3.074 0.010 1.00 0.00 N ATOM 165 CA ARG A 11 -18.128 -2.310 -1.075 1.00 0.00 C ATOM 166 C ARG A 11 -17.123 -2.168 -2.207 1.00 0.00 C ATOM 167 O ARG A 11 -17.485 -2.064 -3.378 1.00 0.00 O ATOM 168 CB ARG A 11 -18.563 -0.924 -0.574 1.00 0.00 C ATOM 169 CG ARG A 11 -19.182 -0.034 -1.645 1.00 0.00 C ATOM 170 CD ARG A 11 -19.580 1.320 -1.075 1.00 0.00 C ATOM 171 NE ARG A 11 -20.033 2.248 -2.112 1.00 0.00 N ATOM 172 CZ ARG A 11 -20.207 3.554 -1.919 1.00 0.00 C ATOM 173 NH1 ARG A 11 -19.961 4.094 -0.731 1.00 0.00 N ATOM 174 NH2 ARG A 11 -20.629 4.322 -2.913 1.00 0.00 N ATOM 0 H ARG A 11 -17.284 -2.517 0.830 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.011 -2.836 -1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.282 -1.053 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.696 -0.415 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.472 0.106 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.059 -0.525 -2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.374 1.183 -0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.730 1.754 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.227 1.871 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.637 3.508 0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.096 5.095 -0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.821 3.913 -3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.762 5.322 -2.764 1.00 0.00 H new ATOM 188 N HIS A 12 -15.852 -2.174 -1.839 1.00 0.00 N ATOM 189 CA HIS A 12 -14.776 -2.057 -2.806 1.00 0.00 C ATOM 190 C HIS A 12 -14.107 -3.406 -2.989 1.00 0.00 C ATOM 191 O HIS A 12 -14.164 -4.256 -2.106 1.00 0.00 O ATOM 192 CB HIS A 12 -13.759 -1.010 -2.353 1.00 0.00 C ATOM 193 CG HIS A 12 -14.229 0.395 -2.567 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.242 1.349 -1.570 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.718 1.004 -3.673 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.717 2.481 -2.057 1.00 0.00 C ATOM 197 NE2 HIS A 12 -15.011 2.297 -3.330 1.00 0.00 N ATOM 0 H HIS A 12 -15.541 -2.259 -0.871 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.190 -1.734 -3.761 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.542 -1.157 -1.295 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.825 -1.161 -2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.852 0.554 -4.645 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.843 3.401 -1.506 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.395 3.004 -3.957 1.00 0.00 H new ATOM 206 N HIS A 13 -13.486 -3.603 -4.138 1.00 0.00 N ATOM 207 CA HIS A 13 -12.814 -4.862 -4.431 1.00 0.00 C ATOM 208 C HIS A 13 -11.322 -4.641 -4.621 1.00 0.00 C ATOM 209 O HIS A 13 -10.513 -5.517 -4.321 1.00 0.00 O ATOM 210 CB HIS A 13 -13.417 -5.521 -5.676 1.00 0.00 C ATOM 211 CG HIS A 13 -14.858 -5.898 -5.508 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.271 -6.996 -4.785 1.00 0.00 N ATOM 213 CD2 HIS A 13 -15.989 -5.305 -5.961 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.589 -7.064 -4.803 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.049 -6.049 -5.509 1.00 0.00 N ATOM 0 H HIS A 13 -13.431 -2.910 -4.884 1.00 0.00 H new ATOM 0 HA HIS A 13 -12.960 -5.530 -3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.323 -4.839 -6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.841 -6.413 -5.921 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.045 -4.412 -6.566 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.189 -7.822 -4.321 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.033 -5.850 -5.689 1.00 0.00 H new ATOM 224 N PHE A 14 -10.965 -3.465 -5.115 1.00 0.00 N ATOM 225 CA PHE A 14 -9.570 -3.125 -5.331 1.00 0.00 C ATOM 226 C PHE A 14 -9.243 -1.804 -4.645 1.00 0.00 C ATOM 227 O PHE A 14 -10.126 -0.976 -4.414 1.00 0.00 O ATOM 228 CB PHE A 14 -9.238 -3.063 -6.830 1.00 0.00 C ATOM 229 CG PHE A 14 -10.199 -2.249 -7.658 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.311 -2.842 -8.231 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.979 -0.899 -7.874 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.189 -2.104 -9.002 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.850 -0.155 -8.645 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.959 -0.757 -9.208 1.00 0.00 C ATOM 0 H PHE A 14 -11.624 -2.731 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.953 -3.909 -4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.237 -2.649 -6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.211 -4.079 -7.224 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.495 -3.895 -8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.116 -0.422 -7.434 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.053 -2.579 -9.443 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.665 0.896 -8.808 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.644 -0.176 -9.808 1.00 0.00 H new ATOM 244 N LEU A 15 -7.977 -1.620 -4.305 1.00 0.00 N ATOM 245 CA LEU A 15 -7.538 -0.405 -3.631 1.00 0.00 C ATOM 246 C LEU A 15 -7.389 0.742 -4.626 1.00 0.00 C ATOM 247 O LEU A 15 -7.689 1.894 -4.308 1.00 0.00 O ATOM 248 CB LEU A 15 -6.207 -0.640 -2.910 1.00 0.00 C ATOM 249 CG LEU A 15 -6.183 -1.818 -1.932 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.813 -1.944 -1.280 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.264 -1.653 -0.876 1.00 0.00 C ATOM 0 H LEU A 15 -7.234 -2.296 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.297 -0.136 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.431 -0.797 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.945 0.267 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.382 -2.733 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.815 -2.786 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.058 -2.108 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.584 -1.028 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.233 -2.499 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.094 -0.729 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.241 -1.613 -1.358 1.00 0.00 H new ATOM 263 N GLY A 16 -6.955 0.409 -5.834 1.00 0.00 N ATOM 264 CA GLY A 16 -6.759 1.408 -6.861 1.00 0.00 C ATOM 265 C GLY A 16 -5.520 2.246 -6.622 1.00 0.00 C ATOM 266 O GLY A 16 -5.585 3.471 -6.666 1.00 0.00 O ATOM 0 H GLY A 16 -6.734 -0.545 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.681 0.917 -7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.632 2.059 -6.902 1.00 0.00 H new ATOM 270 N ILE A 17 -4.393 1.587 -6.382 1.00 0.00 N ATOM 271 CA ILE A 17 -3.123 2.284 -6.129 1.00 0.00 C ATOM 272 C ILE A 17 -1.949 1.413 -6.545 1.00 0.00 C ATOM 273 O ILE A 17 -1.648 0.420 -5.885 1.00 0.00 O ATOM 274 CB ILE A 17 -2.937 2.672 -4.642 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.484 1.581 -3.718 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.590 4.013 -4.347 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.886 1.611 -2.326 1.00 0.00 C ATOM 0 H ILE A 17 -4.325 0.570 -6.356 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.156 3.199 -6.720 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.868 2.768 -4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.566 1.689 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.292 0.606 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.446 4.264 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.136 4.784 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.657 3.954 -4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.320 0.811 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.807 1.472 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.101 2.572 -1.858 1.00 0.00 H new ATOM 289 N SER A 18 -1.295 1.757 -7.647 1.00 0.00 N ATOM 290 CA SER A 18 -0.175 0.959 -8.126 1.00 0.00 C ATOM 291 C SER A 18 1.037 1.119 -7.216 1.00 0.00 C ATOM 292 O SER A 18 1.354 2.218 -6.758 1.00 0.00 O ATOM 293 CB SER A 18 0.162 1.302 -9.580 1.00 0.00 C ATOM 294 OG SER A 18 0.773 2.579 -9.683 1.00 0.00 O ATOM 0 H SER A 18 -1.517 2.572 -8.219 1.00 0.00 H new ATOM 0 HA SER A 18 -0.470 -0.090 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.830 0.544 -9.989 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.748 1.283 -10.180 1.00 0.00 H new ATOM 0 HG SER A 18 0.978 2.769 -10.622 1.00 0.00 H new ATOM 300 N ILE A 19 1.693 0.005 -6.938 1.00 0.00 N ATOM 301 CA ILE A 19 2.857 0.001 -6.066 1.00 0.00 C ATOM 302 C ILE A 19 4.145 0.115 -6.871 1.00 0.00 C ATOM 303 O ILE A 19 4.440 -0.739 -7.710 1.00 0.00 O ATOM 304 CB ILE A 19 2.928 -1.280 -5.210 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.532 -1.714 -4.751 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.838 -1.065 -4.010 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.808 -0.681 -3.908 1.00 0.00 C ATOM 0 H ILE A 19 1.439 -0.912 -7.305 1.00 0.00 H new ATOM 0 HA ILE A 19 2.752 0.864 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 19 3.343 -2.077 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.927 -1.940 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.620 -2.637 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.878 -1.978 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.841 -0.812 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.448 -0.251 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.172 -1.065 -3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.390 -0.471 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.685 0.237 -4.483 1.00 0.00 H new ATOM 319 N VAL A 20 4.904 1.170 -6.617 1.00 0.00 N ATOM 320 CA VAL A 20 6.170 1.389 -7.301 1.00 0.00 C ATOM 321 C VAL A 20 7.320 1.288 -6.304 1.00 0.00 C ATOM 322 O VAL A 20 7.407 2.076 -5.361 1.00 0.00 O ATOM 323 CB VAL A 20 6.212 2.765 -8.004 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.540 2.965 -8.721 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.051 2.911 -8.978 1.00 0.00 C ATOM 0 H VAL A 20 4.664 1.892 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 20 6.271 0.619 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 20 6.116 3.537 -7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.547 3.940 -9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.355 2.915 -7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.670 2.184 -9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.102 3.887 -9.461 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.110 2.129 -9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.109 2.822 -8.437 1.00 0.00 H new ATOM 335 N GLY A 21 8.182 0.306 -6.504 1.00 0.00 N ATOM 336 CA GLY A 21 9.305 0.112 -5.613 1.00 0.00 C ATOM 337 C GLY A 21 10.539 0.862 -6.067 1.00 0.00 C ATOM 338 O GLY A 21 10.858 0.887 -7.260 1.00 0.00 O ATOM 0 H GLY A 21 8.124 -0.364 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.031 0.442 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.533 -0.952 -5.547 1.00 0.00 H new ATOM 342 N GLN A 22 11.218 1.486 -5.121 1.00 0.00 N ATOM 343 CA GLN A 22 12.428 2.240 -5.408 1.00 0.00 C ATOM 344 C GLN A 22 13.652 1.370 -5.156 1.00 0.00 C ATOM 345 O GLN A 22 13.918 0.971 -4.020 1.00 0.00 O ATOM 346 CB GLN A 22 12.484 3.504 -4.545 1.00 0.00 C ATOM 347 CG GLN A 22 13.499 4.522 -5.032 1.00 0.00 C ATOM 348 CD GLN A 22 13.529 5.784 -4.188 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.777 6.877 -4.698 1.00 0.00 O ATOM 350 NE2 GLN A 22 13.284 5.648 -2.893 1.00 0.00 N ATOM 0 H GLN A 22 10.949 1.485 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 22 12.419 2.539 -6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.497 3.966 -4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.724 3.224 -3.519 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.490 4.068 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.272 4.788 -6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.082 4.726 -2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.297 6.465 -2.283 1.00 0.00 H new ATOM 359 N SER A 23 14.387 1.068 -6.211 1.00 0.00 N ATOM 360 CA SER A 23 15.570 0.232 -6.095 1.00 0.00 C ATOM 361 C SER A 23 16.804 0.954 -6.628 1.00 0.00 C ATOM 362 O SER A 23 16.976 1.095 -7.839 1.00 0.00 O ATOM 363 CB SER A 23 15.360 -1.084 -6.850 1.00 0.00 C ATOM 364 OG SER A 23 14.055 -1.606 -6.619 1.00 0.00 O ATOM 0 H SER A 23 14.186 1.389 -7.158 1.00 0.00 H new ATOM 0 HA SER A 23 15.733 0.015 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.506 -0.921 -7.918 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.107 -1.812 -6.533 1.00 0.00 H new ATOM 0 HG SER A 23 13.946 -2.445 -7.113 1.00 0.00 H new ATOM 370 N ASN A 24 17.646 1.427 -5.720 1.00 0.00 N ATOM 371 CA ASN A 24 18.870 2.121 -6.099 1.00 0.00 C ATOM 372 C ASN A 24 20.062 1.179 -5.930 1.00 0.00 C ATOM 373 O ASN A 24 19.909 -0.040 -6.047 1.00 0.00 O ATOM 374 CB ASN A 24 19.057 3.385 -5.249 1.00 0.00 C ATOM 375 CG ASN A 24 19.849 4.471 -5.960 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.634 4.196 -6.867 1.00 0.00 O ATOM 377 ND2 ASN A 24 19.654 5.709 -5.541 1.00 0.00 N ATOM 0 H ASN A 24 17.504 1.343 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 24 18.800 2.425 -7.144 1.00 0.00 H new ATOM 0 HB2 ASN A 24 18.078 3.779 -4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.566 3.120 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 24 20.164 6.480 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 24 18.994 5.894 -4.786 1.00 0.00 H new ATOM 384 N ASP A 25 21.236 1.733 -5.654 1.00 0.00 N ATOM 385 CA ASP A 25 22.444 0.934 -5.472 1.00 0.00 C ATOM 386 C ASP A 25 22.290 0.001 -4.277 1.00 0.00 C ATOM 387 O ASP A 25 22.660 -1.171 -4.336 1.00 0.00 O ATOM 388 CB ASP A 25 23.655 1.844 -5.265 1.00 0.00 C ATOM 389 CG ASP A 25 24.942 1.225 -5.767 1.00 0.00 C ATOM 390 OD1 ASP A 25 25.011 -0.015 -5.883 1.00 0.00 O ATOM 391 OD2 ASP A 25 25.887 1.979 -6.071 1.00 0.00 O ATOM 0 H ASP A 25 21.379 2.738 -5.551 1.00 0.00 H new ATOM 0 HA ASP A 25 22.598 0.335 -6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.486 2.790 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 25 23.756 2.072 -4.204 1.00 0.00 H new ATOM 396 N ARG A 26 21.738 0.532 -3.193 1.00 0.00 N ATOM 397 CA ARG A 26 21.517 -0.251 -1.984 1.00 0.00 C ATOM 398 C ARG A 26 20.405 -1.272 -2.210 1.00 0.00 C ATOM 399 O ARG A 26 20.629 -2.476 -2.117 1.00 0.00 O ATOM 400 CB ARG A 26 21.165 0.667 -0.811 1.00 0.00 C ATOM 401 CG ARG A 26 22.305 1.571 -0.372 1.00 0.00 C ATOM 402 CD ARG A 26 23.397 0.787 0.338 1.00 0.00 C ATOM 403 NE ARG A 26 24.553 1.619 0.666 1.00 0.00 N ATOM 404 CZ ARG A 26 24.728 2.226 1.837 1.00 0.00 C ATOM 405 NH1 ARG A 26 23.793 2.148 2.778 1.00 0.00 N ATOM 406 NH2 ARG A 26 25.837 2.913 2.065 1.00 0.00 N ATOM 0 H ARG A 26 21.435 1.504 -3.127 1.00 0.00 H new ATOM 0 HA ARG A 26 22.436 -0.785 -1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.311 1.285 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 26 20.853 0.055 0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.725 2.076 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 26 21.921 2.345 0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.993 0.353 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.716 -0.042 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 26 25.271 1.742 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 26 22.937 1.621 2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 26 23.931 2.615 3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.555 2.976 1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 26 25.973 3.379 2.962 1.00 0.00 H new ATOM 420 N GLY A 27 19.207 -0.783 -2.509 1.00 0.00 N ATOM 421 CA GLY A 27 18.084 -1.667 -2.757 1.00 0.00 C ATOM 422 C GLY A 27 16.892 -1.352 -1.877 1.00 0.00 C ATOM 423 O GLY A 27 15.747 -1.432 -2.323 1.00 0.00 O ATOM 0 H GLY A 27 18.993 0.212 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.789 -1.590 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.394 -2.698 -2.588 1.00 0.00 H new ATOM 427 N ASP A 28 17.158 -0.990 -0.629 1.00 0.00 N ATOM 428 CA ASP A 28 16.098 -0.666 0.320 1.00 0.00 C ATOM 429 C ASP A 28 15.602 0.762 0.117 1.00 0.00 C ATOM 430 O ASP A 28 15.830 1.642 0.944 1.00 0.00 O ATOM 431 CB ASP A 28 16.568 -0.869 1.771 1.00 0.00 C ATOM 432 CG ASP A 28 17.956 -0.316 2.047 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.951 -0.975 1.670 1.00 0.00 O ATOM 434 OD2 ASP A 28 18.060 0.764 2.664 1.00 0.00 O ATOM 0 H ASP A 28 18.101 -0.913 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 28 15.269 -1.349 0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.856 -0.392 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.559 -1.934 2.001 1.00 0.00 H new ATOM 439 N GLY A 29 14.942 0.989 -1.007 1.00 0.00 N ATOM 440 CA GLY A 29 14.418 2.306 -1.308 1.00 0.00 C ATOM 441 C GLY A 29 12.989 2.480 -0.832 1.00 0.00 C ATOM 442 O GLY A 29 12.534 3.600 -0.609 1.00 0.00 O ATOM 0 H GLY A 29 14.759 0.283 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.049 3.061 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.463 2.475 -2.384 1.00 0.00 H new ATOM 446 N GLY A 30 12.277 1.368 -0.695 1.00 0.00 N ATOM 447 CA GLY A 30 10.905 1.418 -0.238 1.00 0.00 C ATOM 448 C GLY A 30 9.911 1.428 -1.380 1.00 0.00 C ATOM 449 O GLY A 30 10.289 1.544 -2.548 1.00 0.00 O ATOM 0 H GLY A 30 12.628 0.431 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.708 0.559 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.761 2.310 0.372 1.00 0.00 H new ATOM 453 N ILE A 31 8.637 1.309 -1.040 1.00 0.00 N ATOM 454 CA ILE A 31 7.578 1.301 -2.036 1.00 0.00 C ATOM 455 C ILE A 31 6.718 2.553 -1.914 1.00 0.00 C ATOM 456 O ILE A 31 6.302 2.934 -0.818 1.00 0.00 O ATOM 457 CB ILE A 31 6.688 0.045 -1.913 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.411 -0.283 -0.442 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.348 -1.136 -2.616 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.366 -1.363 -0.250 1.00 0.00 C ATOM 0 H ILE A 31 8.311 1.216 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 31 8.056 1.285 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 31 5.732 0.247 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.340 -0.599 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.084 0.623 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.712 -2.016 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.488 -0.899 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.316 -1.338 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.221 -1.544 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.424 -1.041 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.700 -2.282 -0.732 1.00 0.00 H new ATOM 472 N TYR A 32 6.459 3.190 -3.046 1.00 0.00 N ATOM 473 CA TYR A 32 5.664 4.407 -3.079 1.00 0.00 C ATOM 474 C TYR A 32 4.441 4.225 -3.969 1.00 0.00 C ATOM 475 O TYR A 32 4.430 3.366 -4.857 1.00 0.00 O ATOM 476 CB TYR A 32 6.509 5.582 -3.596 1.00 0.00 C ATOM 477 CG TYR A 32 7.769 5.840 -2.800 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.932 5.122 -3.050 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.797 6.802 -1.800 1.00 0.00 C ATOM 480 CE1 TYR A 32 10.084 5.356 -2.326 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.946 7.043 -1.074 1.00 0.00 C ATOM 482 CZ TYR A 32 10.087 6.318 -1.339 1.00 0.00 C ATOM 483 OH TYR A 32 11.233 6.549 -0.609 1.00 0.00 O ATOM 0 H TYR A 32 6.791 2.881 -3.960 1.00 0.00 H new ATOM 0 HA TYR A 32 5.332 4.624 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.782 5.389 -4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.898 6.484 -3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.935 4.368 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.905 7.372 -1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.979 4.788 -2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.950 7.797 -0.301 1.00 0.00 H new ATOM 0 HH TYR A 32 11.744 5.716 -0.530 1.00 0.00 H new ATOM 493 N ILE A 33 3.414 5.019 -3.714 1.00 0.00 N ATOM 494 CA ILE A 33 2.190 4.964 -4.500 1.00 0.00 C ATOM 495 C ILE A 33 2.425 5.568 -5.880 1.00 0.00 C ATOM 496 O ILE A 33 2.881 6.709 -5.997 1.00 0.00 O ATOM 497 CB ILE A 33 1.034 5.715 -3.802 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.783 5.139 -2.401 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.236 5.654 -4.642 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.388 3.676 -2.395 1.00 0.00 C ATOM 0 H ILE A 33 3.403 5.712 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 33 1.909 3.916 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 33 1.323 6.761 -3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.685 5.263 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.003 5.719 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.036 6.189 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.053 6.115 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.528 4.614 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.229 3.346 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.532 3.545 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.183 3.083 -2.848 1.00 0.00 H new ATOM 512 N GLY A 34 2.133 4.796 -6.918 1.00 0.00 N ATOM 513 CA GLY A 34 2.317 5.277 -8.269 1.00 0.00 C ATOM 514 C GLY A 34 1.129 6.073 -8.757 1.00 0.00 C ATOM 515 O GLY A 34 1.135 7.302 -8.698 1.00 0.00 O ATOM 0 H GLY A 34 1.772 3.845 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.212 5.898 -8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.484 4.430 -8.935 1.00 0.00 H new ATOM 519 N SER A 35 0.109 5.376 -9.236 1.00 0.00 N ATOM 520 CA SER A 35 -1.096 6.024 -9.740 1.00 0.00 C ATOM 521 C SER A 35 -2.329 5.530 -8.989 1.00 0.00 C ATOM 522 O SER A 35 -2.389 4.368 -8.576 1.00 0.00 O ATOM 523 CB SER A 35 -1.254 5.740 -11.233 1.00 0.00 C ATOM 524 OG SER A 35 0.006 5.493 -11.832 1.00 0.00 O ATOM 0 H SER A 35 0.091 4.357 -9.287 1.00 0.00 H new ATOM 0 HA SER A 35 -1.000 7.098 -9.583 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.906 4.878 -11.377 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.734 6.588 -11.721 1.00 0.00 H new ATOM 0 HG SER A 35 -0.116 5.312 -12.787 1.00 0.00 H new ATOM 530 N ILE A 36 -3.297 6.418 -8.799 1.00 0.00 N ATOM 531 CA ILE A 36 -4.531 6.063 -8.110 1.00 0.00 C ATOM 532 C ILE A 36 -5.639 5.799 -9.125 1.00 0.00 C ATOM 533 O ILE A 36 -5.892 6.618 -10.012 1.00 0.00 O ATOM 534 CB ILE A 36 -4.987 7.169 -7.127 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.870 7.489 -6.129 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.254 6.747 -6.389 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.277 8.463 -5.046 1.00 0.00 C ATOM 0 H ILE A 36 -3.251 7.388 -9.112 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.331 5.161 -7.532 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.209 8.068 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.535 6.562 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.018 7.899 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.557 7.539 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.052 6.566 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.060 5.834 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.433 8.639 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.583 9.405 -5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.109 8.048 -4.477 1.00 0.00 H new ATOM 549 N MET A 37 -6.293 4.657 -8.992 1.00 0.00 N ATOM 550 CA MET A 37 -7.366 4.280 -9.899 1.00 0.00 C ATOM 551 C MET A 37 -8.723 4.600 -9.286 1.00 0.00 C ATOM 552 O MET A 37 -9.017 4.196 -8.159 1.00 0.00 O ATOM 553 CB MET A 37 -7.289 2.790 -10.237 1.00 0.00 C ATOM 554 CG MET A 37 -5.920 2.342 -10.723 1.00 0.00 C ATOM 555 SD MET A 37 -5.366 3.252 -12.175 1.00 0.00 S ATOM 556 CE MET A 37 -3.725 2.558 -12.397 1.00 0.00 C ATOM 0 H MET A 37 -6.099 3.972 -8.262 1.00 0.00 H new ATOM 0 HA MET A 37 -7.248 4.856 -10.817 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.558 2.212 -9.353 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.029 2.562 -11.004 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.194 2.470 -9.920 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.952 1.278 -10.957 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.248 3.021 -13.261 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.126 2.748 -11.507 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.803 1.483 -12.558 1.00 0.00 H new ATOM 566 N LYS A 38 -9.544 5.330 -10.034 1.00 0.00 N ATOM 567 CA LYS A 38 -10.871 5.713 -9.575 1.00 0.00 C ATOM 568 C LYS A 38 -11.747 4.483 -9.386 1.00 0.00 C ATOM 569 O LYS A 38 -11.715 3.551 -10.196 1.00 0.00 O ATOM 570 CB LYS A 38 -11.521 6.673 -10.573 1.00 0.00 C ATOM 571 CG LYS A 38 -12.622 7.531 -9.969 1.00 0.00 C ATOM 572 CD LYS A 38 -12.057 8.570 -9.015 1.00 0.00 C ATOM 573 CE LYS A 38 -13.087 9.630 -8.667 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.187 9.085 -7.830 1.00 0.00 N ATOM 0 H LYS A 38 -9.310 5.669 -10.967 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.770 6.218 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.753 7.324 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.934 6.097 -11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.175 8.029 -10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.331 6.895 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.716 8.080 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.185 9.044 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.600 10.448 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.502 10.047 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.868 9.842 -7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.669 8.321 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.795 8.710 -6.943 1.00 0.00 H new ATOM 588 N GLY A 39 -12.527 4.486 -8.316 1.00 0.00 N ATOM 589 CA GLY A 39 -13.392 3.362 -8.033 1.00 0.00 C ATOM 590 C GLY A 39 -12.784 2.447 -6.996 1.00 0.00 C ATOM 591 O GLY A 39 -13.441 1.534 -6.491 1.00 0.00 O ATOM 0 H GLY A 39 -12.576 5.247 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.358 3.724 -7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.577 2.803 -8.950 1.00 0.00 H new ATOM 595 N GLY A 40 -11.520 2.693 -6.683 1.00 0.00 N ATOM 596 CA GLY A 40 -10.826 1.895 -5.698 1.00 0.00 C ATOM 597 C GLY A 40 -11.107 2.355 -4.283 1.00 0.00 C ATOM 598 O GLY A 40 -11.685 3.421 -4.073 1.00 0.00 O ATOM 0 H GLY A 40 -10.960 3.438 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.123 0.852 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.753 1.942 -5.886 1.00 0.00 H new ATOM 602 N ALA A 41 -10.703 1.545 -3.314 1.00 0.00 N ATOM 603 CA ALA A 41 -10.910 1.861 -1.907 1.00 0.00 C ATOM 604 C ALA A 41 -10.180 3.139 -1.501 1.00 0.00 C ATOM 605 O ALA A 41 -10.702 3.941 -0.726 1.00 0.00 O ATOM 606 CB ALA A 41 -10.463 0.696 -1.039 1.00 0.00 C ATOM 0 H ALA A 41 -10.227 0.658 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.976 2.032 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.622 0.942 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.042 -0.192 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.404 0.500 -1.209 1.00 0.00 H new ATOM 612 N VAL A 42 -8.986 3.338 -2.048 1.00 0.00 N ATOM 613 CA VAL A 42 -8.189 4.517 -1.734 1.00 0.00 C ATOM 614 C VAL A 42 -8.763 5.757 -2.407 1.00 0.00 C ATOM 615 O VAL A 42 -8.713 6.859 -1.853 1.00 0.00 O ATOM 616 CB VAL A 42 -6.714 4.332 -2.154 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.921 5.622 -1.970 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.080 3.204 -1.361 1.00 0.00 C ATOM 0 H VAL A 42 -8.549 2.698 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.225 4.650 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.694 4.075 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.887 5.460 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.360 6.410 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.949 5.920 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.041 3.084 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.121 3.439 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.623 2.278 -1.549 1.00 0.00 H new ATOM 628 N ALA A 43 -9.332 5.565 -3.591 1.00 0.00 N ATOM 629 CA ALA A 43 -9.924 6.662 -4.346 1.00 0.00 C ATOM 630 C ALA A 43 -11.125 7.259 -3.613 1.00 0.00 C ATOM 631 O ALA A 43 -11.535 8.383 -3.891 1.00 0.00 O ATOM 632 CB ALA A 43 -10.333 6.191 -5.735 1.00 0.00 C ATOM 0 H ALA A 43 -9.396 4.656 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.170 7.443 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.773 7.022 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.455 5.826 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.064 5.387 -5.646 1.00 0.00 H new ATOM 638 N ALA A 44 -11.692 6.497 -2.686 1.00 0.00 N ATOM 639 CA ALA A 44 -12.838 6.961 -1.916 1.00 0.00 C ATOM 640 C ALA A 44 -12.390 7.675 -0.648 1.00 0.00 C ATOM 641 O ALA A 44 -13.167 8.400 -0.021 1.00 0.00 O ATOM 642 CB ALA A 44 -13.744 5.793 -1.572 1.00 0.00 C ATOM 0 H ALA A 44 -11.377 5.556 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.394 7.673 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.597 6.152 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.097 5.324 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.189 5.064 -0.982 1.00 0.00 H new ATOM 648 N ASP A 45 -11.131 7.476 -0.278 1.00 0.00 N ATOM 649 CA ASP A 45 -10.587 8.101 0.921 1.00 0.00 C ATOM 650 C ASP A 45 -9.990 9.458 0.576 1.00 0.00 C ATOM 651 O ASP A 45 -10.486 10.496 1.017 1.00 0.00 O ATOM 652 CB ASP A 45 -9.538 7.202 1.579 1.00 0.00 C ATOM 653 CG ASP A 45 -9.249 7.612 3.008 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.449 8.544 3.207 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.828 7.005 3.938 1.00 0.00 O ATOM 0 H ASP A 45 -10.470 6.890 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.398 8.245 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.885 6.169 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.616 7.238 0.999 1.00 0.00 H new ATOM 660 N GLY A 46 -8.935 9.452 -0.229 1.00 0.00 N ATOM 661 CA GLY A 46 -8.312 10.699 -0.640 1.00 0.00 C ATOM 662 C GLY A 46 -7.115 11.108 0.201 1.00 0.00 C ATOM 663 O GLY A 46 -6.345 11.973 -0.210 1.00 0.00 O ATOM 0 H GLY A 46 -8.499 8.610 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.997 10.608 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.057 11.494 -0.601 1.00 0.00 H new ATOM 667 N ARG A 47 -6.943 10.503 1.373 1.00 0.00 N ATOM 668 CA ARG A 47 -5.814 10.843 2.239 1.00 0.00 C ATOM 669 C ARG A 47 -4.498 10.366 1.637 1.00 0.00 C ATOM 670 O ARG A 47 -3.433 10.909 1.941 1.00 0.00 O ATOM 671 CB ARG A 47 -5.997 10.254 3.636 1.00 0.00 C ATOM 672 CG ARG A 47 -6.784 11.152 4.579 1.00 0.00 C ATOM 673 CD ARG A 47 -7.051 10.465 5.908 1.00 0.00 C ATOM 674 NE ARG A 47 -7.925 9.303 5.752 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.394 8.577 6.767 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.067 8.882 8.017 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.180 7.538 6.525 1.00 0.00 N ATOM 0 H ARG A 47 -7.562 9.782 1.744 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.781 11.929 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.507 9.294 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.016 10.057 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.231 12.075 4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.730 11.429 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.106 10.152 6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.508 11.174 6.598 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.193 9.031 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.454 9.675 8.205 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.429 8.323 8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.424 7.296 5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.541 6.980 7.299 1.00 0.00 H new ATOM 691 N ILE A 48 -4.576 9.352 0.783 1.00 0.00 N ATOM 692 CA ILE A 48 -3.396 8.809 0.127 1.00 0.00 C ATOM 693 C ILE A 48 -3.252 9.420 -1.263 1.00 0.00 C ATOM 694 O ILE A 48 -4.243 9.587 -1.976 1.00 0.00 O ATOM 695 CB ILE A 48 -3.467 7.269 0.014 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.715 6.652 1.391 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.185 6.716 -0.594 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.852 5.144 1.373 1.00 0.00 C ATOM 0 H ILE A 48 -5.449 8.889 0.529 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.528 9.062 0.735 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.297 7.006 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.893 6.924 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.622 7.084 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.255 5.631 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.044 7.137 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.338 6.985 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.026 4.782 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.692 4.863 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.937 4.700 0.982 1.00 0.00 H new ATOM 710 N GLU A 49 -2.031 9.770 -1.632 1.00 0.00 N ATOM 711 CA GLU A 49 -1.765 10.378 -2.924 1.00 0.00 C ATOM 712 C GLU A 49 -0.490 9.801 -3.536 1.00 0.00 C ATOM 713 O GLU A 49 0.309 9.179 -2.833 1.00 0.00 O ATOM 714 CB GLU A 49 -1.630 11.895 -2.757 1.00 0.00 C ATOM 715 CG GLU A 49 -0.477 12.302 -1.856 1.00 0.00 C ATOM 716 CD GLU A 49 -0.571 13.740 -1.404 1.00 0.00 C ATOM 717 OE1 GLU A 49 -1.283 14.009 -0.414 1.00 0.00 O ATOM 718 OE2 GLU A 49 0.078 14.604 -2.026 1.00 0.00 O ATOM 0 H GLU A 49 -1.203 9.642 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.596 10.160 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.493 12.350 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.559 12.292 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.457 11.651 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.464 12.153 -2.386 1.00 0.00 H new ATOM 725 N PRO A 50 -0.297 9.961 -4.859 1.00 0.00 N ATOM 726 CA PRO A 50 0.906 9.477 -5.539 1.00 0.00 C ATOM 727 C PRO A 50 2.172 10.044 -4.908 1.00 0.00 C ATOM 728 O PRO A 50 2.327 11.262 -4.779 1.00 0.00 O ATOM 729 CB PRO A 50 0.746 9.989 -6.970 1.00 0.00 C ATOM 730 CG PRO A 50 -0.720 10.174 -7.144 1.00 0.00 C ATOM 731 CD PRO A 50 -1.238 10.600 -5.799 1.00 0.00 C ATOM 0 HA PRO A 50 1.006 8.393 -5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.283 10.926 -7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.144 9.276 -7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.932 10.928 -7.902 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.195 9.249 -7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.239 11.685 -5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.262 10.263 -5.636 1.00 0.00 H new ATOM 739 N GLY A 51 3.065 9.160 -4.502 1.00 0.00 N ATOM 740 CA GLY A 51 4.295 9.587 -3.871 1.00 0.00 C ATOM 741 C GLY A 51 4.359 9.154 -2.420 1.00 0.00 C ATOM 742 O GLY A 51 5.436 9.111 -1.826 1.00 0.00 O ATOM 0 H GLY A 51 2.961 8.150 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.145 9.172 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.377 10.672 -3.931 1.00 0.00 H new ATOM 746 N ASP A 52 3.199 8.849 -1.846 1.00 0.00 N ATOM 747 CA ASP A 52 3.123 8.402 -0.457 1.00 0.00 C ATOM 748 C ASP A 52 3.844 7.072 -0.309 1.00 0.00 C ATOM 749 O ASP A 52 3.664 6.165 -1.124 1.00 0.00 O ATOM 750 CB ASP A 52 1.664 8.262 -0.001 1.00 0.00 C ATOM 751 CG ASP A 52 1.009 9.595 0.317 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.725 10.610 0.440 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.233 9.637 0.445 1.00 0.00 O ATOM 0 H ASP A 52 2.298 8.903 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 52 3.604 9.150 0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.092 7.760 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.625 7.625 0.883 1.00 0.00 H new ATOM 758 N MET A 53 4.671 6.962 0.714 1.00 0.00 N ATOM 759 CA MET A 53 5.430 5.738 0.942 1.00 0.00 C ATOM 760 C MET A 53 4.673 4.779 1.850 1.00 0.00 C ATOM 761 O MET A 53 4.179 5.173 2.906 1.00 0.00 O ATOM 762 CB MET A 53 6.793 6.067 1.554 1.00 0.00 C ATOM 763 CG MET A 53 7.708 4.861 1.722 1.00 0.00 C ATOM 764 SD MET A 53 9.334 5.305 2.370 1.00 0.00 S ATOM 765 CE MET A 53 9.939 3.694 2.876 1.00 0.00 C ATOM 0 H MET A 53 4.837 7.699 1.399 1.00 0.00 H new ATOM 0 HA MET A 53 5.576 5.251 -0.022 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.293 6.804 0.925 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.639 6.531 2.528 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.237 4.144 2.394 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.828 4.364 0.759 1.00 0.00 H new ATOM 0 HE1 MET A 53 11.024 3.664 2.774 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.668 3.514 3.916 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.494 2.924 2.246 1.00 0.00 H new ATOM 775 N LEU A 54 4.593 3.521 1.440 1.00 0.00 N ATOM 776 CA LEU A 54 3.909 2.504 2.222 1.00 0.00 C ATOM 777 C LEU A 54 4.847 1.948 3.284 1.00 0.00 C ATOM 778 O LEU A 54 5.927 1.449 2.965 1.00 0.00 O ATOM 779 CB LEU A 54 3.424 1.368 1.319 1.00 0.00 C ATOM 780 CG LEU A 54 2.104 1.621 0.584 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.880 0.557 -0.483 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.945 1.645 1.572 1.00 0.00 C ATOM 0 H LEU A 54 4.995 3.181 0.567 1.00 0.00 H new ATOM 0 HA LEU A 54 3.046 2.962 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.197 1.162 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.315 0.468 1.925 1.00 0.00 H new ATOM 0 HG LEU A 54 2.157 2.593 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.938 0.750 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.698 0.585 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.843 -0.426 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.013 1.826 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.887 0.687 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.104 2.440 2.301 1.00 0.00 H new ATOM 794 N LEU A 55 4.447 2.054 4.542 1.00 0.00 N ATOM 795 CA LEU A 55 5.267 1.557 5.640 1.00 0.00 C ATOM 796 C LEU A 55 4.666 0.285 6.230 1.00 0.00 C ATOM 797 O LEU A 55 5.227 -0.805 6.101 1.00 0.00 O ATOM 798 CB LEU A 55 5.397 2.618 6.737 1.00 0.00 C ATOM 799 CG LEU A 55 5.873 3.998 6.280 1.00 0.00 C ATOM 800 CD1 LEU A 55 6.038 4.917 7.480 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.176 3.895 5.502 1.00 0.00 C ATOM 0 H LEU A 55 3.564 2.477 4.829 1.00 0.00 H new ATOM 0 HA LEU A 55 6.256 1.330 5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.427 2.732 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.090 2.248 7.493 1.00 0.00 H new ATOM 0 HG LEU A 55 5.119 4.419 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.377 5.897 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.082 5.020 7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.773 4.494 8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.492 4.890 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.944 3.453 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.026 3.268 4.623 1.00 0.00 H new ATOM 813 N GLN A 56 3.520 0.438 6.873 1.00 0.00 N ATOM 814 CA GLN A 56 2.833 -0.679 7.498 1.00 0.00 C ATOM 815 C GLN A 56 1.541 -0.974 6.750 1.00 0.00 C ATOM 816 O GLN A 56 0.690 -0.095 6.594 1.00 0.00 O ATOM 817 CB GLN A 56 2.536 -0.345 8.963 1.00 0.00 C ATOM 818 CG GLN A 56 2.582 -1.539 9.901 1.00 0.00 C ATOM 819 CD GLN A 56 2.482 -1.134 11.364 1.00 0.00 C ATOM 820 OE1 GLN A 56 1.887 -1.843 12.176 1.00 0.00 O ATOM 821 NE2 GLN A 56 3.072 0.001 11.717 1.00 0.00 N ATOM 0 H GLN A 56 3.043 1.334 6.976 1.00 0.00 H new ATOM 0 HA GLN A 56 3.469 -1.564 7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.255 0.399 9.306 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.549 0.113 9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.765 -2.219 9.659 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.511 -2.087 9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.556 0.563 11.017 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.041 0.311 12.688 1.00 0.00 H new ATOM 830 N VAL A 57 1.398 -2.199 6.282 1.00 0.00 N ATOM 831 CA VAL A 57 0.210 -2.596 5.549 1.00 0.00 C ATOM 832 C VAL A 57 -0.538 -3.690 6.292 1.00 0.00 C ATOM 833 O VAL A 57 -0.106 -4.839 6.328 1.00 0.00 O ATOM 834 CB VAL A 57 0.550 -3.087 4.128 1.00 0.00 C ATOM 835 CG1 VAL A 57 -0.690 -3.626 3.435 1.00 0.00 C ATOM 836 CG2 VAL A 57 1.172 -1.964 3.311 1.00 0.00 C ATOM 0 H VAL A 57 2.091 -2.938 6.396 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.422 -1.712 5.466 1.00 0.00 H new ATOM 0 HB VAL A 57 1.275 -3.897 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.428 -3.967 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.094 -4.460 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.439 -2.838 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.406 -2.328 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.469 -1.134 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.087 -1.625 3.796 1.00 0.00 H new ATOM 846 N ASN A 58 -1.660 -3.315 6.884 1.00 0.00 N ATOM 847 CA ASN A 58 -2.497 -4.242 7.634 1.00 0.00 C ATOM 848 C ASN A 58 -1.707 -4.942 8.734 1.00 0.00 C ATOM 849 O ASN A 58 -1.540 -6.165 8.710 1.00 0.00 O ATOM 850 CB ASN A 58 -3.143 -5.274 6.705 1.00 0.00 C ATOM 851 CG ASN A 58 -4.641 -5.370 6.921 1.00 0.00 C ATOM 852 OD1 ASN A 58 -5.268 -4.428 7.401 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.226 -6.504 6.567 1.00 0.00 N ATOM 0 H ASN A 58 -2.018 -2.360 6.859 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.287 -3.657 8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.942 -5.005 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.688 -6.250 6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.232 -6.619 6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.670 -7.263 6.172 1.00 0.00 H new ATOM 860 N ASP A 59 -1.179 -4.136 9.655 1.00 0.00 N ATOM 861 CA ASP A 59 -0.423 -4.612 10.820 1.00 0.00 C ATOM 862 C ASP A 59 1.024 -5.009 10.502 1.00 0.00 C ATOM 863 O ASP A 59 1.917 -4.770 11.313 1.00 0.00 O ATOM 864 CB ASP A 59 -1.146 -5.770 11.512 1.00 0.00 C ATOM 865 CG ASP A 59 -0.866 -5.817 12.996 1.00 0.00 C ATOM 866 OD1 ASP A 59 -0.907 -4.754 13.650 1.00 0.00 O ATOM 867 OD2 ASP A 59 -0.618 -6.923 13.522 1.00 0.00 O ATOM 0 H ASP A 59 -1.264 -3.120 9.615 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.369 -3.759 11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.220 -5.673 11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.838 -6.711 11.057 1.00 0.00 H new ATOM 872 N VAL A 60 1.270 -5.606 9.340 1.00 0.00 N ATOM 873 CA VAL A 60 2.631 -6.015 8.990 1.00 0.00 C ATOM 874 C VAL A 60 3.452 -4.822 8.492 1.00 0.00 C ATOM 875 O VAL A 60 2.942 -3.940 7.799 1.00 0.00 O ATOM 876 CB VAL A 60 2.661 -7.165 7.950 1.00 0.00 C ATOM 877 CG1 VAL A 60 1.759 -8.313 8.387 1.00 0.00 C ATOM 878 CG2 VAL A 60 2.274 -6.679 6.565 1.00 0.00 C ATOM 0 H VAL A 60 0.563 -5.815 8.636 1.00 0.00 H new ATOM 0 HA VAL A 60 3.084 -6.398 9.905 1.00 0.00 H new ATOM 0 HB VAL A 60 3.687 -7.530 7.897 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.796 -9.108 7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.101 -8.699 9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.734 -7.954 8.484 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.307 -7.513 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.265 -6.268 6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.972 -5.906 6.242 1.00 0.00 H new ATOM 888 N ASN A 61 4.722 -4.789 8.872 1.00 0.00 N ATOM 889 CA ASN A 61 5.610 -3.697 8.489 1.00 0.00 C ATOM 890 C ASN A 61 6.543 -4.114 7.359 1.00 0.00 C ATOM 891 O ASN A 61 7.053 -5.237 7.347 1.00 0.00 O ATOM 892 CB ASN A 61 6.426 -3.250 9.704 1.00 0.00 C ATOM 893 CG ASN A 61 7.232 -1.997 9.439 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.887 -1.192 8.579 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.311 -1.822 10.181 1.00 0.00 N ATOM 0 H ASN A 61 5.162 -5.507 9.447 1.00 0.00 H new ATOM 0 HA ASN A 61 5.000 -2.867 8.131 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.753 -3.073 10.543 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.100 -4.054 10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.892 -0.994 10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.563 -2.515 10.886 1.00 0.00 H new ATOM 902 N PHE A 62 6.761 -3.204 6.412 1.00 0.00 N ATOM 903 CA PHE A 62 7.636 -3.472 5.275 1.00 0.00 C ATOM 904 C PHE A 62 8.848 -2.542 5.273 1.00 0.00 C ATOM 905 O PHE A 62 9.659 -2.578 4.347 1.00 0.00 O ATOM 906 CB PHE A 62 6.883 -3.298 3.952 1.00 0.00 C ATOM 907 CG PHE A 62 5.736 -4.251 3.749 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.840 -5.588 4.107 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.549 -3.804 3.191 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.780 -6.454 3.915 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.490 -4.666 2.996 1.00 0.00 C ATOM 912 CZ PHE A 62 3.604 -5.992 3.358 1.00 0.00 C ATOM 0 H PHE A 62 6.343 -2.274 6.410 1.00 0.00 H new ATOM 0 HA PHE A 62 7.975 -4.503 5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.503 -2.278 3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.588 -3.420 3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.759 -5.955 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.452 -2.767 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.872 -7.492 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.571 -4.303 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.775 -6.668 3.206 1.00 0.00 H new ATOM 922 N GLU A 63 8.974 -1.721 6.311 1.00 0.00 N ATOM 923 CA GLU A 63 10.082 -0.766 6.412 1.00 0.00 C ATOM 924 C GLU A 63 11.450 -1.446 6.324 1.00 0.00 C ATOM 925 O GLU A 63 12.393 -0.888 5.756 1.00 0.00 O ATOM 926 CB GLU A 63 10.000 0.012 7.727 1.00 0.00 C ATOM 927 CG GLU A 63 8.981 1.137 7.720 1.00 0.00 C ATOM 928 CD GLU A 63 8.972 1.920 9.018 1.00 0.00 C ATOM 929 OE1 GLU A 63 9.870 2.763 9.213 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.080 1.687 9.858 1.00 0.00 O ATOM 0 H GLU A 63 8.324 -1.695 7.097 1.00 0.00 H new ATOM 0 HA GLU A 63 9.984 -0.087 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.754 -0.681 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.982 0.427 7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.197 1.813 6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.989 0.723 7.542 1.00 0.00 H new ATOM 937 N ASN A 64 11.556 -2.652 6.870 1.00 0.00 N ATOM 938 CA ASN A 64 12.825 -3.376 6.871 1.00 0.00 C ATOM 939 C ASN A 64 12.813 -4.549 5.900 1.00 0.00 C ATOM 940 O ASN A 64 13.628 -5.467 6.015 1.00 0.00 O ATOM 941 CB ASN A 64 13.150 -3.872 8.281 1.00 0.00 C ATOM 942 CG ASN A 64 13.512 -2.742 9.221 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.619 -2.207 9.168 1.00 0.00 O ATOM 944 ND2 ASN A 64 12.585 -2.376 10.094 1.00 0.00 N ATOM 0 H ASN A 64 10.784 -3.148 7.316 1.00 0.00 H new ATOM 0 HA ASN A 64 13.596 -2.680 6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.291 -4.412 8.680 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.977 -4.580 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.776 -1.624 10.756 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.680 -2.846 10.104 1.00 0.00 H new ATOM 951 N MET A 65 11.902 -4.516 4.940 1.00 0.00 N ATOM 952 CA MET A 65 11.799 -5.585 3.956 1.00 0.00 C ATOM 953 C MET A 65 12.106 -5.058 2.560 1.00 0.00 C ATOM 954 O MET A 65 12.129 -3.848 2.338 1.00 0.00 O ATOM 955 CB MET A 65 10.406 -6.218 3.993 1.00 0.00 C ATOM 956 CG MET A 65 10.191 -7.127 5.191 1.00 0.00 C ATOM 957 SD MET A 65 8.483 -7.678 5.356 1.00 0.00 S ATOM 958 CE MET A 65 8.323 -8.731 3.916 1.00 0.00 C ATOM 0 H MET A 65 11.224 -3.763 4.820 1.00 0.00 H new ATOM 0 HA MET A 65 12.533 -6.351 4.205 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.656 -5.428 4.006 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.250 -6.790 3.079 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.841 -7.997 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.487 -6.600 6.098 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.644 -9.554 4.141 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.926 -8.151 3.083 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.301 -9.130 3.647 1.00 0.00 H new ATOM 968 N SER A 66 12.364 -5.967 1.633 1.00 0.00 N ATOM 969 CA SER A 66 12.668 -5.596 0.258 1.00 0.00 C ATOM 970 C SER A 66 11.399 -5.180 -0.477 1.00 0.00 C ATOM 971 O SER A 66 10.292 -5.540 -0.071 1.00 0.00 O ATOM 972 CB SER A 66 13.336 -6.769 -0.464 1.00 0.00 C ATOM 973 OG SER A 66 12.558 -7.948 -0.350 1.00 0.00 O ATOM 0 H SER A 66 12.369 -6.972 1.808 1.00 0.00 H new ATOM 0 HA SER A 66 13.353 -4.748 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.474 -6.521 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.327 -6.942 -0.044 1.00 0.00 H new ATOM 0 HG SER A 66 13.005 -8.682 -0.821 1.00 0.00 H new ATOM 979 N ASN A 67 11.562 -4.427 -1.555 1.00 0.00 N ATOM 980 CA ASN A 67 10.433 -3.957 -2.355 1.00 0.00 C ATOM 981 C ASN A 67 9.644 -5.140 -2.899 1.00 0.00 C ATOM 982 O ASN A 67 8.411 -5.138 -2.898 1.00 0.00 O ATOM 983 CB ASN A 67 10.923 -3.090 -3.524 1.00 0.00 C ATOM 984 CG ASN A 67 11.793 -1.925 -3.085 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.654 -1.404 -1.977 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.702 -1.515 -3.954 1.00 0.00 N ATOM 0 H ASN A 67 12.473 -4.125 -1.901 1.00 0.00 H new ATOM 0 HA ASN A 67 9.788 -3.357 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.486 -3.713 -4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.061 -2.705 -4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.321 -0.740 -3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.784 -1.974 -4.861 1.00 0.00 H new ATOM 993 N ASP A 68 10.372 -6.158 -3.341 1.00 0.00 N ATOM 994 CA ASP A 68 9.768 -7.359 -3.900 1.00 0.00 C ATOM 995 C ASP A 68 8.907 -8.067 -2.867 1.00 0.00 C ATOM 996 O ASP A 68 7.741 -8.365 -3.122 1.00 0.00 O ATOM 997 CB ASP A 68 10.844 -8.323 -4.406 1.00 0.00 C ATOM 998 CG ASP A 68 11.169 -8.134 -5.873 1.00 0.00 C ATOM 999 OD1 ASP A 68 10.483 -8.737 -6.729 1.00 0.00 O ATOM 1000 OD2 ASP A 68 12.116 -7.389 -6.181 1.00 0.00 O ATOM 0 H ASP A 68 11.392 -6.174 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 68 9.140 -7.050 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.752 -8.186 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.511 -9.348 -4.243 1.00 0.00 H new ATOM 1005 N ASP A 69 9.483 -8.320 -1.694 1.00 0.00 N ATOM 1006 CA ASP A 69 8.770 -9.013 -0.626 1.00 0.00 C ATOM 1007 C ASP A 69 7.605 -8.190 -0.108 1.00 0.00 C ATOM 1008 O ASP A 69 6.556 -8.741 0.230 1.00 0.00 O ATOM 1009 CB ASP A 69 9.716 -9.366 0.522 1.00 0.00 C ATOM 1010 CG ASP A 69 10.407 -10.693 0.300 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.809 -11.577 -0.345 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.551 -10.862 0.765 1.00 0.00 O ATOM 0 H ASP A 69 10.440 -8.056 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 69 8.372 -9.935 -1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.465 -8.581 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.155 -9.401 1.456 1.00 0.00 H new ATOM 1017 N ALA A 70 7.791 -6.878 -0.043 1.00 0.00 N ATOM 1018 CA ALA A 70 6.744 -5.980 0.423 1.00 0.00 C ATOM 1019 C ALA A 70 5.482 -6.159 -0.413 1.00 0.00 C ATOM 1020 O ALA A 70 4.386 -6.319 0.123 1.00 0.00 O ATOM 1021 CB ALA A 70 7.228 -4.539 0.368 1.00 0.00 C ATOM 0 H ALA A 70 8.659 -6.412 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 70 6.504 -6.224 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.437 -3.876 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.106 -4.425 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.489 -4.282 -0.659 1.00 0.00 H new ATOM 1027 N VAL A 71 5.649 -6.161 -1.729 1.00 0.00 N ATOM 1028 CA VAL A 71 4.524 -6.333 -2.633 1.00 0.00 C ATOM 1029 C VAL A 71 3.954 -7.749 -2.513 1.00 0.00 C ATOM 1030 O VAL A 71 2.741 -7.936 -2.529 1.00 0.00 O ATOM 1031 CB VAL A 71 4.923 -6.051 -4.101 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.766 -6.338 -5.048 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.397 -4.613 -4.259 1.00 0.00 C ATOM 0 H VAL A 71 6.551 -6.046 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 71 3.760 -5.610 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 71 5.745 -6.718 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.075 -6.131 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.476 -7.385 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.918 -5.704 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.673 -4.433 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.595 -3.932 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.262 -4.443 -3.619 1.00 0.00 H new ATOM 1043 N ARG A 72 4.842 -8.737 -2.365 1.00 0.00 N ATOM 1044 CA ARG A 72 4.436 -10.143 -2.247 1.00 0.00 C ATOM 1045 C ARG A 72 3.438 -10.346 -1.109 1.00 0.00 C ATOM 1046 O ARG A 72 2.404 -10.988 -1.287 1.00 0.00 O ATOM 1047 CB ARG A 72 5.654 -11.046 -2.029 1.00 0.00 C ATOM 1048 CG ARG A 72 6.500 -11.234 -3.275 1.00 0.00 C ATOM 1049 CD ARG A 72 7.749 -12.052 -2.989 1.00 0.00 C ATOM 1050 NE ARG A 72 8.619 -12.141 -4.161 1.00 0.00 N ATOM 1051 CZ ARG A 72 9.952 -12.103 -4.109 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.580 -11.973 -2.946 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.661 -12.195 -5.226 1.00 0.00 N ATOM 0 H ARG A 72 5.850 -8.589 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 72 3.951 -10.416 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.274 -10.622 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.315 -12.021 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.909 -11.730 -4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.786 -10.260 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.298 -11.601 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.462 -13.055 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 72 8.179 -12.238 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.043 -11.901 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.599 -11.945 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.187 -12.295 -6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.680 -12.166 -5.187 1.00 0.00 H new ATOM 1067 N VAL A 73 3.755 -9.809 0.062 1.00 0.00 N ATOM 1068 CA VAL A 73 2.874 -9.935 1.219 1.00 0.00 C ATOM 1069 C VAL A 73 1.595 -9.135 0.997 1.00 0.00 C ATOM 1070 O VAL A 73 0.495 -9.593 1.317 1.00 0.00 O ATOM 1071 CB VAL A 73 3.564 -9.459 2.515 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.684 -9.726 3.726 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.907 -10.146 2.680 1.00 0.00 C ATOM 0 H VAL A 73 4.612 -9.284 0.237 1.00 0.00 H new ATOM 0 HA VAL A 73 2.631 -10.991 1.332 1.00 0.00 H new ATOM 0 HB VAL A 73 3.726 -8.384 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.191 -9.382 4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.740 -9.192 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.489 -10.795 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.382 -9.801 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.760 -11.225 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.545 -9.907 1.829 1.00 0.00 H new ATOM 1083 N LEU A 74 1.751 -7.950 0.418 1.00 0.00 N ATOM 1084 CA LEU A 74 0.624 -7.070 0.129 1.00 0.00 C ATOM 1085 C LEU A 74 -0.382 -7.769 -0.785 1.00 0.00 C ATOM 1086 O LEU A 74 -1.589 -7.642 -0.599 1.00 0.00 O ATOM 1087 CB LEU A 74 1.128 -5.779 -0.527 1.00 0.00 C ATOM 1088 CG LEU A 74 0.045 -4.854 -1.087 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.724 -4.180 0.035 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.669 -3.815 -2.000 1.00 0.00 C ATOM 0 H LEU A 74 2.656 -7.574 0.137 1.00 0.00 H new ATOM 0 HA LEU A 74 0.123 -6.823 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.711 -5.223 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.807 -6.046 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.657 -5.455 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.488 -3.528 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.199 -4.938 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.038 -3.589 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.110 -3.162 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.390 -3.222 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.176 -4.314 -2.826 1.00 0.00 H new ATOM 1102 N ARG A 75 0.130 -8.519 -1.762 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.714 -9.245 -2.717 1.00 0.00 C ATOM 1104 C ARG A 75 -1.675 -10.182 -2.007 1.00 0.00 C ATOM 1105 O ARG A 75 -2.864 -10.220 -2.323 1.00 0.00 O ATOM 1106 CB ARG A 75 0.144 -10.046 -3.705 1.00 0.00 C ATOM 1107 CG ARG A 75 1.011 -9.181 -4.599 1.00 0.00 C ATOM 1108 CD ARG A 75 1.706 -9.997 -5.675 1.00 0.00 C ATOM 1109 NE ARG A 75 0.788 -10.377 -6.743 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.860 -9.914 -7.992 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.819 -9.064 -8.345 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -0.032 -10.301 -8.894 1.00 0.00 N ATOM 0 H ARG A 75 1.131 -8.641 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.293 -8.502 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.783 -10.730 -3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.509 -10.657 -4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.396 -8.412 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.758 -8.667 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.531 -9.420 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.137 -10.894 -5.230 1.00 0.00 H new ATOM 0 HE ARG A 75 0.044 -11.038 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.509 -8.760 -7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.865 -8.716 -9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.772 -10.952 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.022 -9.947 -9.849 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.165 -10.920 -1.033 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.983 -11.862 -0.286 1.00 0.00 C ATOM 1128 C GLU A 76 -3.043 -11.138 0.538 1.00 0.00 C ATOM 1129 O GLU A 76 -4.188 -11.578 0.612 1.00 0.00 O ATOM 1130 CB GLU A 76 -1.108 -12.720 0.625 1.00 0.00 C ATOM 1131 CG GLU A 76 -0.166 -13.640 -0.132 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.891 -14.537 -1.115 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.850 -15.226 -0.705 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.497 -14.565 -2.298 1.00 0.00 O ATOM 0 H GLU A 76 -0.188 -10.885 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.490 -12.507 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.523 -12.068 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.749 -13.320 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.569 -13.040 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.383 -14.256 0.580 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.656 -10.022 1.140 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.569 -9.229 1.956 1.00 0.00 C ATOM 1143 C ILE A 77 -4.663 -8.600 1.092 1.00 0.00 C ATOM 1144 O ILE A 77 -5.838 -8.600 1.456 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.799 -8.121 2.710 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.750 -8.745 3.635 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.756 -7.238 3.499 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.799 -7.734 4.245 1.00 0.00 C ATOM 0 H ILE A 77 -1.711 -9.643 1.079 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.035 -9.896 2.682 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.290 -7.493 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.258 -9.283 4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.174 -9.480 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.192 -6.466 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.466 -6.770 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.297 -7.845 4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.085 -8.248 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.263 -7.213 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.364 -7.013 4.835 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.258 -8.082 -0.063 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.178 -7.447 -1.000 1.00 0.00 C ATOM 1162 C VAL A 78 -6.143 -8.468 -1.611 1.00 0.00 C ATOM 1163 O VAL A 78 -7.315 -8.170 -1.850 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.388 -6.719 -2.116 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.271 -6.356 -3.301 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.729 -5.472 -1.551 1.00 0.00 C ATOM 0 H VAL A 78 -3.287 -8.090 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.769 -6.716 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.624 -7.405 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.674 -5.848 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.700 -7.263 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.073 -5.697 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.175 -4.964 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.494 -4.803 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.045 -5.753 -0.750 1.00 0.00 H new ATOM 1176 N SER A 79 -5.653 -9.678 -1.835 1.00 0.00 N ATOM 1177 CA SER A 79 -6.468 -10.737 -2.415 1.00 0.00 C ATOM 1178 C SER A 79 -7.153 -11.572 -1.331 1.00 0.00 C ATOM 1179 O SER A 79 -7.590 -12.697 -1.584 1.00 0.00 O ATOM 1180 CB SER A 79 -5.597 -11.629 -3.301 1.00 0.00 C ATOM 1181 OG SER A 79 -4.775 -10.843 -4.153 1.00 0.00 O ATOM 0 H SER A 79 -4.693 -9.952 -1.624 1.00 0.00 H new ATOM 0 HA SER A 79 -7.249 -10.276 -3.020 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.974 -12.271 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.230 -12.283 -3.901 1.00 0.00 H new ATOM 0 HG SER A 79 -4.074 -10.410 -3.623 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.251 -11.017 -0.130 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.883 -11.706 0.985 1.00 0.00 C ATOM 1189 C GLN A 80 -9.099 -10.927 1.469 1.00 0.00 C ATOM 1190 O GLN A 80 -9.125 -9.696 1.401 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.889 -11.874 2.136 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.936 -13.246 2.796 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.427 -14.357 1.897 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.874 -15.500 1.989 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.482 -14.036 1.025 1.00 0.00 N ATOM 0 H GLN A 80 -6.899 -10.087 0.096 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.204 -12.690 0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.881 -11.696 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.088 -11.112 2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.341 -13.224 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.962 -13.466 3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.136 -13.078 0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.101 -14.747 0.401 1.00 0.00 H new ATOM 1204 N THR A 81 -10.104 -11.645 1.942 1.00 0.00 N ATOM 1205 CA THR A 81 -11.312 -11.021 2.450 1.00 0.00 C ATOM 1206 C THR A 81 -11.055 -10.409 3.821 1.00 0.00 C ATOM 1207 O THR A 81 -10.576 -11.088 4.735 1.00 0.00 O ATOM 1208 CB THR A 81 -12.461 -12.041 2.547 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.932 -13.356 2.766 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.303 -12.030 1.281 1.00 0.00 C ATOM 0 H THR A 81 -10.106 -12.664 1.984 1.00 0.00 H new ATOM 0 HA THR A 81 -11.602 -10.235 1.752 1.00 0.00 H new ATOM 0 HB THR A 81 -13.096 -11.761 3.388 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.669 -13.999 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.108 -12.759 1.373 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.727 -11.037 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.678 -12.287 0.426 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.357 -9.128 3.953 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.151 -8.442 5.208 1.00 0.00 C ATOM 1220 C GLY A 82 -10.683 -7.016 4.994 1.00 0.00 C ATOM 1221 O GLY A 82 -10.111 -6.710 3.950 1.00 0.00 O ATOM 0 H GLY A 82 -11.744 -8.548 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.080 -8.439 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.414 -8.982 5.802 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.904 -6.123 5.968 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.506 -4.716 5.858 1.00 0.00 C ATOM 1227 C PRO A 83 -8.991 -4.535 5.917 1.00 0.00 C ATOM 1228 O PRO A 83 -8.292 -5.242 6.651 1.00 0.00 O ATOM 1229 CB PRO A 83 -11.183 -4.058 7.060 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.341 -5.154 8.056 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.541 -6.419 7.264 1.00 0.00 C ATOM 0 HA PRO A 83 -10.801 -4.281 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.576 -3.245 7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.148 -3.631 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.460 -5.230 8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.193 -4.966 8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.076 -7.275 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.599 -6.655 7.146 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.486 -3.582 5.147 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.057 -3.325 5.091 1.00 0.00 C ATOM 1241 C ILE A 84 -6.722 -1.915 5.568 1.00 0.00 C ATOM 1242 O ILE A 84 -7.300 -0.934 5.098 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.515 -3.510 3.654 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -6.838 -4.919 3.145 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.011 -3.260 3.611 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.575 -5.109 1.664 1.00 0.00 C ATOM 0 H ILE A 84 -9.048 -2.973 4.552 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.582 -4.047 5.755 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.001 -2.783 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.246 -5.642 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.886 -5.138 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.649 -3.395 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.802 -2.242 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.506 -3.965 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.827 -6.130 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.187 -4.411 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.522 -4.923 1.455 1.00 0.00 H new ATOM 1258 N SER A 85 -5.803 -1.827 6.518 1.00 0.00 N ATOM 1259 CA SER A 85 -5.355 -0.546 7.039 1.00 0.00 C ATOM 1260 C SER A 85 -3.991 -0.203 6.445 1.00 0.00 C ATOM 1261 O SER A 85 -3.042 -0.979 6.562 1.00 0.00 O ATOM 1262 CB SER A 85 -5.276 -0.588 8.566 1.00 0.00 C ATOM 1263 OG SER A 85 -6.540 -0.882 9.137 1.00 0.00 O ATOM 0 H SER A 85 -5.351 -2.635 6.946 1.00 0.00 H new ATOM 0 HA SER A 85 -6.072 0.224 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.551 -1.341 8.875 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.919 0.371 8.941 1.00 0.00 H new ATOM 0 HG SER A 85 -6.461 -0.904 10.114 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.897 0.951 5.803 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.655 1.366 5.167 1.00 0.00 C ATOM 1271 C LEU A 86 -1.983 2.500 5.931 1.00 0.00 C ATOM 1272 O LEU A 86 -2.612 3.507 6.251 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.911 1.803 3.722 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.522 0.735 2.813 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.735 1.290 1.414 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.634 -0.498 2.764 1.00 0.00 C ATOM 0 H LEU A 86 -4.664 1.616 5.708 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.986 0.506 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.574 2.668 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.967 2.130 3.286 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.489 0.446 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.170 0.518 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.410 2.145 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.778 1.605 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.086 -1.246 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.653 -0.224 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.526 -0.909 3.768 1.00 0.00 H new ATOM 1288 N THR A 87 -0.706 2.316 6.222 1.00 0.00 N ATOM 1289 CA THR A 87 0.085 3.316 6.917 1.00 0.00 C ATOM 1290 C THR A 87 1.068 3.946 5.937 1.00 0.00 C ATOM 1291 O THR A 87 2.072 3.329 5.568 1.00 0.00 O ATOM 1292 CB THR A 87 0.852 2.689 8.093 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.065 1.641 8.679 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.187 3.731 9.144 1.00 0.00 C ATOM 0 H THR A 87 -0.189 1.470 5.983 1.00 0.00 H new ATOM 0 HA THR A 87 -0.584 4.079 7.315 1.00 0.00 H new ATOM 0 HB THR A 87 1.787 2.277 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.066 0.861 8.086 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.729 3.260 9.964 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.807 4.510 8.700 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.266 4.173 9.525 1.00 0.00 H new ATOM 1302 N VAL A 88 0.764 5.157 5.498 1.00 0.00 N ATOM 1303 CA VAL A 88 1.607 5.845 4.531 1.00 0.00 C ATOM 1304 C VAL A 88 2.379 6.999 5.152 1.00 0.00 C ATOM 1305 O VAL A 88 1.934 7.621 6.119 1.00 0.00 O ATOM 1306 CB VAL A 88 0.779 6.387 3.346 1.00 0.00 C ATOM 1307 CG1 VAL A 88 0.320 5.253 2.446 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.416 7.195 3.835 1.00 0.00 C ATOM 0 H VAL A 88 -0.058 5.683 5.794 1.00 0.00 H new ATOM 0 HA VAL A 88 2.318 5.100 4.174 1.00 0.00 H new ATOM 0 HB VAL A 88 1.422 7.050 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.262 5.658 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.189 4.725 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.298 4.561 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.981 7.564 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.058 6.561 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.066 8.039 4.430 1.00 0.00 H new ATOM 1318 N ALA A 89 3.545 7.266 4.586 1.00 0.00 N ATOM 1319 CA ALA A 89 4.396 8.348 5.039 1.00 0.00 C ATOM 1320 C ALA A 89 4.378 9.485 4.032 1.00 0.00 C ATOM 1321 O ALA A 89 4.911 9.364 2.925 1.00 0.00 O ATOM 1322 CB ALA A 89 5.814 7.856 5.257 1.00 0.00 C ATOM 0 H ALA A 89 3.925 6.738 3.801 1.00 0.00 H new ATOM 0 HA ALA A 89 4.012 8.717 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.438 8.683 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.814 7.068 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.211 7.463 4.321 1.00 0.00 H new ATOM 1328 N LYS A 90 3.748 10.579 4.415 1.00 0.00 N ATOM 1329 CA LYS A 90 3.647 11.741 3.558 1.00 0.00 C ATOM 1330 C LYS A 90 4.698 12.765 3.952 1.00 0.00 C ATOM 1331 O LYS A 90 4.585 13.336 5.057 1.00 0.00 O ATOM 1332 CB LYS A 90 2.251 12.357 3.661 1.00 0.00 C ATOM 1333 CG LYS A 90 1.123 11.335 3.588 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.236 11.992 3.779 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.624 12.839 2.575 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.998 12.007 1.400 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.640 12.988 3.165 1.00 0.00 O ATOM 0 H LYS A 90 3.295 10.686 5.323 1.00 0.00 H new ATOM 0 HA LYS A 90 3.817 11.433 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.173 12.904 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.124 13.083 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.151 10.828 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.271 10.573 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.992 11.224 3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.217 12.616 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.460 13.485 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.208 13.490 2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.335 12.622 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.168 11.472 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.753 11.345 1.670 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.136 -3.944 -8.515 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.130 -2.993 -8.600 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.092 -3.122 -9.581 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.229 -2.408 -9.347 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.110 -2.730 -8.217 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.805 -3.844 -7.178 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.179 -4.849 -7.021 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.121 -5.661 -5.941 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.896 -5.525 -4.989 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.925 -6.349 -3.933 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.870 -4.546 -5.126 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.817 -3.722 -6.214 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.721 -2.571 -6.644 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.862 -2.109 -5.693 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.232 -2.258 -6.334 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.490 -1.576 -7.437 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -6.105 -2.985 -5.841 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.338 -1.991 -7.800 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -3.005 -0.866 -8.490 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.104 -4.211 -10.437 1.00 20.00 C HETATM 1372 C3 SUZ A 91 2.136 -5.190 -10.350 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.144 -5.058 -9.400 1.00 20.00 C HETATM 1374 S SUZ A 91 4.424 -6.228 -9.250 1.00 20.00 S HETATM 1375 O1 SUZ A 91 4.086 -7.313 -8.373 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.695 -5.273 -8.478 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.826 -2.693 -4.773 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.312 -0.029 -8.575 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.315 -1.183 -9.486 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -3.880 -0.556 -7.919 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.534 -1.628 -10.044 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.317 -4.320 -11.184 1.00 20.00 H new HETATM 0 H3 SUZ A 91 2.136 -6.043 -11.028 1.00 20.00 H new HETATM 0 H20 SUZ A 91 3.923 -3.838 -7.768 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.632 -5.830 -8.498 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.820 -4.333 -9.015 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.128 -2.143 -7.918 1.00 20.00 H new HETATM 0 H17 SUZ A 91 0.972 -4.967 -7.760 1.00 20.00 H new HETATM 0 H16 SUZ A 91 0.878 -6.434 -5.810 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.659 -4.437 -4.382 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.703 -1.067 -5.415 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.418 -5.066 -7.444 1.00 20.00 H new