USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 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= -1.26! K(o=-1.1!,f=0.12) USER MOD Set 1.2: A 32 TYR OH : rot -94:sc= 0.176 USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0.0153 USER MOD Set 2.2: A 85 SER OG : rot -75:sc= 0.0143 USER MOD Single : A 1 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.2!) USER MOD Single : A 1 ASN N :NH3+ 173:sc= 1.25 (180deg=1.04) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.092 USER MOD Single : A 8 ASN : amide:sc= 0.909 K(o=0.91,f=-7.5!) USER MOD Single : A 9 MET CE :methyl -170:sc= -0.0248 (180deg=-0.229) USER MOD Single : A 12 HIS : no HE2:sc= -0.966 K(o=-0.97,f=-1.5) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -115:sc= 0.274 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -177:sc= 0 (180deg=-0.00818) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 151:sc= 0 (180deg=-1.02) USER MOD Single : A 56 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.6) USER MOD Single : A 58 ASN : amide:sc= 0.495 K(o=0.5,f=-9.9!) USER MOD Single : A 61 ASN : amide:sc= 0.552 K(o=0.55,f=-5!) USER MOD Single : A 64 ASN : amide:sc= -0.0182 K(o=-0.018,f=-0.59) USER MOD Single : A 65 MET CE :methyl 147:sc= -0.524 (180deg=-2.19) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 67 ASN : amide:sc= 1.58 K(o=1.6,f=-4.1!) USER MOD Single : A 79 SER OG : rot 101:sc= 1.3 USER MOD Single : A 80 GLN : amide:sc= -0.884 K(o=-0.88,f=-0.2) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -64:sc= 1.88 USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= -0.163! (180deg=-0.325!) USER MOD Single : A 91 SUZ C1 :methyl -165:sc= -0.122 (180deg=-0.805) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.037 12.894 7.600 1.00 0.00 N ATOM 2 CA ASN A 1 3.668 12.740 8.150 1.00 0.00 C ATOM 3 C ASN A 1 3.122 11.355 7.824 1.00 0.00 C ATOM 4 O ASN A 1 2.846 11.047 6.666 1.00 0.00 O ATOM 5 CB ASN A 1 2.744 13.819 7.572 1.00 0.00 C ATOM 6 CG ASN A 1 1.418 13.933 8.312 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.923 12.967 8.894 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.831 15.120 8.285 1.00 0.00 N ATOM 0 H1 ASN A 1 5.352 13.877 7.724 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.687 12.256 8.102 1.00 0.00 H new ATOM 0 H3 ASN A 1 5.033 12.657 6.587 1.00 0.00 H new ATOM 0 HA ASN A 1 3.711 12.854 9.233 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.255 14.781 7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.549 13.597 6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.063 15.258 8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 1 1.273 15.896 7.792 1.00 0.00 H new ATOM 17 N ILE A 2 2.968 10.517 8.839 1.00 0.00 N ATOM 18 CA ILE A 2 2.457 9.167 8.638 1.00 0.00 C ATOM 19 C ILE A 2 0.973 9.092 8.996 1.00 0.00 C ATOM 20 O ILE A 2 0.590 9.345 10.141 1.00 0.00 O ATOM 21 CB ILE A 2 3.235 8.130 9.480 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.742 8.267 9.241 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.765 6.718 9.149 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.587 7.547 10.270 1.00 0.00 C ATOM 0 H ILE A 2 3.189 10.746 9.808 1.00 0.00 H new ATOM 0 HA ILE A 2 2.592 8.929 7.583 1.00 0.00 H new ATOM 0 HB ILE A 2 3.037 8.321 10.535 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.981 7.879 8.251 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.007 9.324 9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.322 5.999 9.750 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.701 6.628 9.369 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.935 6.516 8.091 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.642 7.688 10.037 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.377 7.951 11.260 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.351 6.483 10.255 1.00 0.00 H new ATOM 36 N ILE A 3 0.144 8.744 8.020 1.00 0.00 N ATOM 37 CA ILE A 3 -1.293 8.643 8.240 1.00 0.00 C ATOM 38 C ILE A 3 -1.759 7.190 8.158 1.00 0.00 C ATOM 39 O ILE A 3 -1.384 6.460 7.238 1.00 0.00 O ATOM 40 CB ILE A 3 -2.088 9.494 7.223 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.611 10.950 7.251 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.582 9.416 7.517 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.365 11.855 6.297 1.00 0.00 C ATOM 0 H ILE A 3 0.442 8.527 7.069 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.487 9.027 9.241 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.911 9.094 6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.714 11.338 8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.550 10.980 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.127 10.020 6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.913 8.380 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.775 9.792 8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.973 12.869 6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.241 11.492 5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.424 11.855 6.556 1.00 0.00 H new ATOM 55 N THR A 4 -2.559 6.777 9.133 1.00 0.00 N ATOM 56 CA THR A 4 -3.092 5.426 9.175 1.00 0.00 C ATOM 57 C THR A 4 -4.532 5.432 8.671 1.00 0.00 C ATOM 58 O THR A 4 -5.418 5.999 9.312 1.00 0.00 O ATOM 59 CB THR A 4 -3.053 4.857 10.606 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.779 5.141 11.212 1.00 0.00 O ATOM 61 CG2 THR A 4 -3.300 3.356 10.600 1.00 0.00 C ATOM 0 H THR A 4 -2.854 7.367 9.911 1.00 0.00 H new ATOM 0 HA THR A 4 -2.474 4.794 8.537 1.00 0.00 H new ATOM 0 HB THR A 4 -3.844 5.333 11.186 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.762 4.778 12.122 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.268 2.978 11.622 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.279 3.150 10.168 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.530 2.863 10.006 1.00 0.00 H new ATOM 69 N VAL A 5 -4.764 4.828 7.517 1.00 0.00 N ATOM 70 CA VAL A 5 -6.099 4.802 6.944 1.00 0.00 C ATOM 71 C VAL A 5 -6.649 3.382 6.861 1.00 0.00 C ATOM 72 O VAL A 5 -5.901 2.420 6.672 1.00 0.00 O ATOM 73 CB VAL A 5 -6.122 5.429 5.529 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.455 6.793 5.531 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.453 4.517 4.512 1.00 0.00 C ATOM 0 H VAL A 5 -4.052 4.353 6.963 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.729 5.391 7.610 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.166 5.553 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.484 7.213 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.983 7.455 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.418 6.691 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.485 4.984 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.415 4.349 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.979 3.563 4.478 1.00 0.00 H new ATOM 85 N THR A 6 -7.955 3.256 7.024 1.00 0.00 N ATOM 86 CA THR A 6 -8.612 1.971 6.921 1.00 0.00 C ATOM 87 C THR A 6 -9.630 2.052 5.788 1.00 0.00 C ATOM 88 O THR A 6 -10.338 3.053 5.647 1.00 0.00 O ATOM 89 CB THR A 6 -9.272 1.536 8.261 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.479 0.117 8.270 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.600 2.236 8.508 1.00 0.00 C ATOM 0 H THR A 6 -8.581 4.035 7.229 1.00 0.00 H new ATOM 0 HA THR A 6 -7.871 1.202 6.701 1.00 0.00 H new ATOM 0 HB THR A 6 -8.588 1.824 9.060 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.893 -0.148 9.118 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.019 1.897 9.456 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.442 3.314 8.546 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.292 1.999 7.700 1.00 0.00 H new ATOM 99 N LEU A 7 -9.663 1.039 4.942 1.00 0.00 N ATOM 100 CA LEU A 7 -10.571 1.040 3.806 1.00 0.00 C ATOM 101 C LEU A 7 -11.562 -0.112 3.874 1.00 0.00 C ATOM 102 O LEU A 7 -11.313 -1.127 4.527 1.00 0.00 O ATOM 103 CB LEU A 7 -9.766 0.977 2.507 1.00 0.00 C ATOM 104 CG LEU A 7 -8.624 1.996 2.406 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.734 1.686 1.220 1.00 0.00 C ATOM 106 CD2 LEU A 7 -9.172 3.410 2.292 1.00 0.00 C ATOM 0 H LEU A 7 -9.076 0.208 5.017 1.00 0.00 H new ATOM 0 HA LEU A 7 -11.148 1.964 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.350 -0.025 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.445 1.129 1.668 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.029 1.926 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.930 2.420 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.308 0.689 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.323 1.725 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.345 4.116 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.793 3.489 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.771 3.640 3.173 1.00 0.00 H new ATOM 118 N ASN A 8 -12.687 0.061 3.197 1.00 0.00 N ATOM 119 CA ASN A 8 -13.738 -0.947 3.165 1.00 0.00 C ATOM 120 C ASN A 8 -13.565 -1.857 1.961 1.00 0.00 C ATOM 121 O ASN A 8 -13.600 -1.391 0.820 1.00 0.00 O ATOM 122 CB ASN A 8 -15.114 -0.276 3.114 1.00 0.00 C ATOM 123 CG ASN A 8 -16.253 -1.273 3.017 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.682 -1.645 1.922 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.754 -1.715 4.160 1.00 0.00 N ATOM 0 H ASN A 8 -12.898 0.900 2.656 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.667 -1.547 4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.248 0.335 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.153 0.397 2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.522 -2.387 4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.372 -1.384 5.046 1.00 0.00 H new ATOM 132 N MET A 9 -13.395 -3.149 2.216 1.00 0.00 N ATOM 133 CA MET A 9 -13.208 -4.123 1.146 1.00 0.00 C ATOM 134 C MET A 9 -14.492 -4.888 0.855 1.00 0.00 C ATOM 135 O MET A 9 -14.482 -5.886 0.131 1.00 0.00 O ATOM 136 CB MET A 9 -12.087 -5.103 1.492 1.00 0.00 C ATOM 137 CG MET A 9 -10.704 -4.476 1.438 1.00 0.00 C ATOM 138 SD MET A 9 -10.374 -3.631 -0.123 1.00 0.00 S ATOM 139 CE MET A 9 -10.489 -4.994 -1.278 1.00 0.00 C ATOM 0 H MET A 9 -13.383 -3.547 3.155 1.00 0.00 H new ATOM 0 HA MET A 9 -12.930 -3.568 0.250 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.259 -5.503 2.491 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.124 -5.945 0.801 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.601 -3.766 2.258 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.953 -5.251 1.591 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.137 -4.671 -2.258 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.874 -5.822 -0.926 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.526 -5.320 -1.354 1.00 0.00 H new ATOM 149 N GLU A 10 -15.594 -4.424 1.431 1.00 0.00 N ATOM 150 CA GLU A 10 -16.891 -5.051 1.206 1.00 0.00 C ATOM 151 C GLU A 10 -17.480 -4.524 -0.090 1.00 0.00 C ATOM 152 O GLU A 10 -17.756 -5.281 -1.020 1.00 0.00 O ATOM 153 CB GLU A 10 -17.856 -4.769 2.363 1.00 0.00 C ATOM 154 CG GLU A 10 -17.470 -5.438 3.671 1.00 0.00 C ATOM 155 CD GLU A 10 -17.072 -6.889 3.494 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.835 -7.652 2.862 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.994 -7.273 3.995 1.00 0.00 O ATOM 0 H GLU A 10 -15.616 -3.618 2.056 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.747 -6.130 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.912 -3.692 2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.854 -5.101 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.642 -4.892 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.308 -5.378 4.365 1.00 0.00 H new ATOM 164 N ARG A 11 -17.635 -3.209 -0.148 1.00 0.00 N ATOM 165 CA ARG A 11 -18.178 -2.539 -1.318 1.00 0.00 C ATOM 166 C ARG A 11 -17.098 -2.385 -2.385 1.00 0.00 C ATOM 167 O ARG A 11 -17.376 -2.428 -3.584 1.00 0.00 O ATOM 168 CB ARG A 11 -18.741 -1.173 -0.913 1.00 0.00 C ATOM 169 CG ARG A 11 -19.172 -0.303 -2.082 1.00 0.00 C ATOM 170 CD ARG A 11 -19.733 1.024 -1.605 1.00 0.00 C ATOM 171 NE ARG A 11 -19.573 2.084 -2.601 1.00 0.00 N ATOM 172 CZ ARG A 11 -19.601 3.387 -2.313 1.00 0.00 C ATOM 173 NH1 ARG A 11 -19.763 3.792 -1.060 1.00 0.00 N ATOM 174 NH2 ARG A 11 -19.460 4.285 -3.279 1.00 0.00 N ATOM 0 H ARG A 11 -17.388 -2.578 0.615 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.985 -3.140 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.596 -1.326 -0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.986 -0.638 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.321 -0.125 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.925 -0.828 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.791 0.906 -1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.233 1.317 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.432 1.811 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.867 3.107 -0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.784 4.789 -0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.330 3.980 -4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.482 5.280 -3.057 1.00 0.00 H new ATOM 188 N HIS A 12 -15.862 -2.218 -1.941 1.00 0.00 N ATOM 189 CA HIS A 12 -14.742 -2.066 -2.859 1.00 0.00 C ATOM 190 C HIS A 12 -14.101 -3.417 -3.134 1.00 0.00 C ATOM 191 O HIS A 12 -13.995 -4.251 -2.239 1.00 0.00 O ATOM 192 CB HIS A 12 -13.699 -1.107 -2.292 1.00 0.00 C ATOM 193 CG HIS A 12 -14.145 0.322 -2.269 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.161 1.082 -1.120 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.590 1.133 -3.261 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.597 2.296 -1.404 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.860 2.353 -2.696 1.00 0.00 N ATOM 0 H HIS A 12 -15.609 -2.184 -0.954 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.124 -1.652 -3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.447 -1.416 -1.278 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.787 -1.184 -2.884 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -13.880 0.758 -0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.709 0.868 -4.301 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.718 3.105 -0.699 1.00 0.00 H new ATOM 206 N HIS A 13 -13.679 -3.637 -4.367 1.00 0.00 N ATOM 207 CA HIS A 13 -13.053 -4.898 -4.735 1.00 0.00 C ATOM 208 C HIS A 13 -11.553 -4.730 -4.936 1.00 0.00 C ATOM 209 O HIS A 13 -10.819 -5.714 -5.028 1.00 0.00 O ATOM 210 CB HIS A 13 -13.698 -5.468 -5.998 1.00 0.00 C ATOM 211 CG HIS A 13 -15.042 -6.086 -5.758 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.212 -7.290 -5.107 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.287 -5.658 -6.081 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.500 -7.575 -5.042 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.170 -6.601 -5.625 1.00 0.00 N ATOM 0 H HIS A 13 -13.757 -2.963 -5.129 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.207 -5.600 -3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.800 -4.672 -6.735 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.034 -6.218 -6.428 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.536 -4.745 -6.601 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.931 -8.456 -4.589 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.184 -6.556 -5.721 1.00 0.00 H new ATOM 224 N PHE A 14 -11.103 -3.486 -5.005 1.00 0.00 N ATOM 225 CA PHE A 14 -9.687 -3.200 -5.190 1.00 0.00 C ATOM 226 C PHE A 14 -9.317 -1.887 -4.509 1.00 0.00 C ATOM 227 O PHE A 14 -10.185 -1.057 -4.239 1.00 0.00 O ATOM 228 CB PHE A 14 -9.327 -3.160 -6.686 1.00 0.00 C ATOM 229 CG PHE A 14 -10.137 -2.190 -7.508 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.432 -2.497 -7.903 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.598 -0.974 -7.899 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.169 -1.612 -8.667 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.330 -0.087 -8.664 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.618 -0.406 -9.047 1.00 0.00 C ATOM 0 H PHE A 14 -11.696 -2.659 -4.936 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.112 -4.002 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.272 -2.904 -6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.453 -4.160 -7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.869 -3.440 -7.609 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.592 -0.717 -7.601 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.176 -1.865 -8.966 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.895 0.856 -8.963 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.193 0.288 -9.643 1.00 0.00 H new ATOM 244 N LEU A 15 -8.032 -1.704 -4.231 1.00 0.00 N ATOM 245 CA LEU A 15 -7.557 -0.495 -3.569 1.00 0.00 C ATOM 246 C LEU A 15 -7.414 0.653 -4.563 1.00 0.00 C ATOM 247 O LEU A 15 -7.749 1.797 -4.251 1.00 0.00 O ATOM 248 CB LEU A 15 -6.218 -0.750 -2.872 1.00 0.00 C ATOM 249 CG LEU A 15 -6.241 -1.774 -1.736 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.878 -1.852 -1.059 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.321 -1.425 -0.724 1.00 0.00 C ATOM 0 H LEU A 15 -7.300 -2.378 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.297 -0.215 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.498 -1.082 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.851 0.196 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.471 -2.752 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.913 -2.585 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.126 -2.151 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.619 -0.876 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.322 -2.165 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.123 -0.438 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.294 -1.422 -1.216 1.00 0.00 H new ATOM 263 N GLY A 16 -6.937 0.340 -5.759 1.00 0.00 N ATOM 264 CA GLY A 16 -6.753 1.354 -6.779 1.00 0.00 C ATOM 265 C GLY A 16 -5.509 2.189 -6.560 1.00 0.00 C ATOM 266 O GLY A 16 -5.564 3.413 -6.625 1.00 0.00 O ATOM 0 H GLY A 16 -6.673 -0.603 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.695 0.874 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.625 2.008 -6.796 1.00 0.00 H new ATOM 270 N ILE A 17 -4.385 1.529 -6.305 1.00 0.00 N ATOM 271 CA ILE A 17 -3.111 2.219 -6.077 1.00 0.00 C ATOM 272 C ILE A 17 -1.950 1.345 -6.520 1.00 0.00 C ATOM 273 O ILE A 17 -1.589 0.394 -5.828 1.00 0.00 O ATOM 274 CB ILE A 17 -2.892 2.593 -4.592 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.443 1.504 -3.667 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.520 3.942 -4.281 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.797 1.490 -2.294 1.00 0.00 C ATOM 0 H ILE A 17 -4.326 0.512 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.153 3.137 -6.663 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.819 2.670 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.518 1.646 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.298 0.532 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.355 4.187 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.065 4.708 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.591 3.899 -4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.236 0.694 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.726 1.318 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.964 2.449 -1.803 1.00 0.00 H new ATOM 289 N SER A 18 -1.375 1.643 -7.676 1.00 0.00 N ATOM 290 CA SER A 18 -0.271 0.840 -8.178 1.00 0.00 C ATOM 291 C SER A 18 0.983 1.079 -7.344 1.00 0.00 C ATOM 292 O SER A 18 1.424 2.214 -7.170 1.00 0.00 O ATOM 293 CB SER A 18 -0.032 1.111 -9.668 1.00 0.00 C ATOM 294 OG SER A 18 0.404 2.444 -9.897 1.00 0.00 O ATOM 0 H SER A 18 -1.649 2.422 -8.275 1.00 0.00 H new ATOM 0 HA SER A 18 -0.532 -0.214 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.714 0.414 -10.050 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.952 0.929 -10.223 1.00 0.00 H new ATOM 0 HG SER A 18 -0.273 2.925 -10.417 1.00 0.00 H new ATOM 300 N ILE A 19 1.521 0.000 -6.797 1.00 0.00 N ATOM 301 CA ILE A 19 2.706 0.077 -5.958 1.00 0.00 C ATOM 302 C ILE A 19 3.982 0.125 -6.797 1.00 0.00 C ATOM 303 O ILE A 19 4.195 -0.713 -7.677 1.00 0.00 O ATOM 304 CB ILE A 19 2.789 -1.121 -4.985 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.414 -1.438 -4.379 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.802 -0.833 -3.886 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.783 -0.275 -3.640 1.00 0.00 C ATOM 0 H ILE A 19 1.153 -0.943 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 19 2.621 0.999 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 19 3.116 -1.996 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.742 -1.756 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.516 -2.279 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.853 -1.683 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.783 -0.665 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.497 0.056 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.185 -0.579 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.433 0.031 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.647 0.561 -4.326 1.00 0.00 H new ATOM 319 N VAL A 20 4.816 1.116 -6.526 1.00 0.00 N ATOM 320 CA VAL A 20 6.076 1.275 -7.232 1.00 0.00 C ATOM 321 C VAL A 20 7.237 1.129 -6.253 1.00 0.00 C ATOM 322 O VAL A 20 7.346 1.886 -5.285 1.00 0.00 O ATOM 323 CB VAL A 20 6.165 2.647 -7.937 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.422 2.738 -8.791 1.00 0.00 C ATOM 325 CG2 VAL A 20 4.922 2.899 -8.780 1.00 0.00 C ATOM 0 H VAL A 20 4.640 1.827 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 20 6.131 0.499 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 20 6.221 3.419 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.462 3.713 -9.277 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.301 2.611 -8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.404 1.955 -9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.004 3.870 -9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.831 2.119 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.040 2.888 -8.140 1.00 0.00 H new ATOM 335 N GLY A 21 8.077 0.132 -6.487 1.00 0.00 N ATOM 336 CA GLY A 21 9.217 -0.103 -5.624 1.00 0.00 C ATOM 337 C GLY A 21 10.414 0.738 -6.015 1.00 0.00 C ATOM 338 O GLY A 21 10.901 0.653 -7.145 1.00 0.00 O ATOM 0 H GLY A 21 7.989 -0.523 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.941 0.118 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.488 -1.158 -5.663 1.00 0.00 H new ATOM 342 N GLN A 22 10.887 1.553 -5.088 1.00 0.00 N ATOM 343 CA GLN A 22 12.034 2.410 -5.342 1.00 0.00 C ATOM 344 C GLN A 22 13.334 1.641 -5.135 1.00 0.00 C ATOM 345 O GLN A 22 13.541 1.021 -4.093 1.00 0.00 O ATOM 346 CB GLN A 22 12.010 3.640 -4.427 1.00 0.00 C ATOM 347 CG GLN A 22 13.093 4.657 -4.755 1.00 0.00 C ATOM 348 CD GLN A 22 13.253 5.736 -3.698 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.583 6.878 -4.013 1.00 0.00 O ATOM 350 NE2 GLN A 22 13.040 5.386 -2.440 1.00 0.00 N ATOM 0 H GLN A 22 10.494 1.640 -4.151 1.00 0.00 H new ATOM 0 HA GLN A 22 11.979 2.743 -6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.035 4.121 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.127 3.317 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.043 4.137 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.861 5.127 -5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.767 4.429 -2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.148 6.073 -1.694 1.00 0.00 H new ATOM 359 N SER A 23 14.199 1.671 -6.130 1.00 0.00 N ATOM 360 CA SER A 23 15.481 0.995 -6.052 1.00 0.00 C ATOM 361 C SER A 23 16.566 1.882 -6.648 1.00 0.00 C ATOM 362 O SER A 23 16.268 2.843 -7.363 1.00 0.00 O ATOM 363 CB SER A 23 15.412 -0.349 -6.781 1.00 0.00 C ATOM 364 OG SER A 23 14.376 -1.162 -6.246 1.00 0.00 O ATOM 0 H SER A 23 14.036 2.161 -7.010 1.00 0.00 H new ATOM 0 HA SER A 23 15.726 0.802 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.237 -0.182 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.368 -0.865 -6.692 1.00 0.00 H new ATOM 0 HG SER A 23 14.348 -2.015 -6.727 1.00 0.00 H new ATOM 370 N ASN A 24 17.820 1.571 -6.348 1.00 0.00 N ATOM 371 CA ASN A 24 18.934 2.356 -6.857 1.00 0.00 C ATOM 372 C ASN A 24 20.206 1.519 -6.885 1.00 0.00 C ATOM 373 O ASN A 24 20.458 0.805 -7.858 1.00 0.00 O ATOM 374 CB ASN A 24 19.130 3.619 -6.008 1.00 0.00 C ATOM 375 CG ASN A 24 20.161 4.571 -6.593 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.312 4.678 -7.809 1.00 0.00 O ATOM 377 ND2 ASN A 24 20.877 5.268 -5.728 1.00 0.00 N ATOM 0 H ASN A 24 18.089 0.784 -5.757 1.00 0.00 H new ATOM 0 HA ASN A 24 18.706 2.663 -7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 24 18.176 4.138 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.438 3.331 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 24 21.584 5.923 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 24 20.722 5.151 -4.727 1.00 0.00 H new ATOM 384 N ASP A 25 20.994 1.587 -5.816 1.00 0.00 N ATOM 385 CA ASP A 25 22.239 0.828 -5.733 1.00 0.00 C ATOM 386 C ASP A 25 22.239 -0.083 -4.511 1.00 0.00 C ATOM 387 O ASP A 25 22.752 -1.202 -4.553 1.00 0.00 O ATOM 388 CB ASP A 25 23.441 1.776 -5.669 1.00 0.00 C ATOM 389 CG ASP A 25 24.757 1.049 -5.841 1.00 0.00 C ATOM 390 OD1 ASP A 25 25.059 0.623 -6.973 1.00 0.00 O ATOM 391 OD2 ASP A 25 25.500 0.905 -4.850 1.00 0.00 O ATOM 0 H ASP A 25 20.793 2.159 -4.996 1.00 0.00 H new ATOM 0 HA ASP A 25 22.316 0.212 -6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.344 2.535 -6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 25 23.439 2.297 -4.712 1.00 0.00 H new ATOM 396 N ARG A 26 21.655 0.405 -3.424 1.00 0.00 N ATOM 397 CA ARG A 26 21.586 -0.354 -2.184 1.00 0.00 C ATOM 398 C ARG A 26 20.477 -1.394 -2.247 1.00 0.00 C ATOM 399 O ARG A 26 20.723 -2.586 -2.059 1.00 0.00 O ATOM 400 CB ARG A 26 21.356 0.581 -0.999 1.00 0.00 C ATOM 401 CG ARG A 26 22.495 1.558 -0.780 1.00 0.00 C ATOM 402 CD ARG A 26 23.656 0.908 -0.045 1.00 0.00 C ATOM 403 NE ARG A 26 24.834 1.772 -0.019 1.00 0.00 N ATOM 404 CZ ARG A 26 25.015 2.768 0.849 1.00 0.00 C ATOM 405 NH1 ARG A 26 24.107 3.013 1.790 1.00 0.00 N ATOM 406 NH2 ARG A 26 26.112 3.512 0.786 1.00 0.00 N ATOM 0 H ARG A 26 21.221 1.327 -3.377 1.00 0.00 H new ATOM 0 HA ARG A 26 22.537 -0.869 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.433 1.139 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.217 -0.014 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.839 1.938 -1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.136 2.414 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.354 0.674 0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.908 -0.036 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 26 25.565 1.602 -0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.267 2.438 1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.251 3.776 2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.817 3.322 0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.250 4.274 1.450 1.00 0.00 H new ATOM 420 N GLY A 27 19.259 -0.937 -2.510 1.00 0.00 N ATOM 421 CA GLY A 27 18.129 -1.842 -2.594 1.00 0.00 C ATOM 422 C GLY A 27 16.988 -1.421 -1.692 1.00 0.00 C ATOM 423 O GLY A 27 15.821 -1.538 -2.061 1.00 0.00 O ATOM 0 H GLY A 27 19.034 0.045 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.777 -1.886 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.451 -2.848 -2.324 1.00 0.00 H new ATOM 427 N ASP A 28 17.322 -0.916 -0.515 1.00 0.00 N ATOM 428 CA ASP A 28 16.319 -0.485 0.449 1.00 0.00 C ATOM 429 C ASP A 28 15.763 0.890 0.096 1.00 0.00 C ATOM 430 O ASP A 28 16.106 1.903 0.709 1.00 0.00 O ATOM 431 CB ASP A 28 16.889 -0.495 1.875 1.00 0.00 C ATOM 432 CG ASP A 28 18.183 0.289 2.023 1.00 0.00 C ATOM 433 OD1 ASP A 28 19.162 -0.020 1.312 1.00 0.00 O ATOM 434 OD2 ASP A 28 18.235 1.203 2.872 1.00 0.00 O ATOM 0 H ASP A 28 18.285 -0.794 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 28 15.494 -1.196 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.145 -0.083 2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.063 -1.527 2.180 1.00 0.00 H new ATOM 439 N GLY A 29 14.902 0.916 -0.908 1.00 0.00 N ATOM 440 CA GLY A 29 14.299 2.158 -1.328 1.00 0.00 C ATOM 441 C GLY A 29 12.913 2.346 -0.748 1.00 0.00 C ATOM 442 O GLY A 29 12.553 3.446 -0.332 1.00 0.00 O ATOM 0 H GLY A 29 14.610 0.096 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.934 2.990 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.242 2.182 -2.416 1.00 0.00 H new ATOM 446 N GLY A 30 12.127 1.277 -0.741 1.00 0.00 N ATOM 447 CA GLY A 30 10.789 1.342 -0.193 1.00 0.00 C ATOM 448 C GLY A 30 9.732 1.348 -1.275 1.00 0.00 C ATOM 449 O GLY A 30 10.032 1.606 -2.440 1.00 0.00 O ATOM 0 H GLY A 30 12.395 0.363 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.626 0.490 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.690 2.241 0.415 1.00 0.00 H new ATOM 453 N ILE A 31 8.494 1.061 -0.900 1.00 0.00 N ATOM 454 CA ILE A 31 7.396 1.033 -1.853 1.00 0.00 C ATOM 455 C ILE A 31 6.593 2.327 -1.788 1.00 0.00 C ATOM 456 O ILE A 31 6.176 2.761 -0.712 1.00 0.00 O ATOM 457 CB ILE A 31 6.471 -0.181 -1.619 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.184 -0.376 -0.126 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.104 -1.432 -2.211 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.087 -1.381 0.154 1.00 0.00 C ATOM 0 H ILE A 31 8.225 0.844 0.060 1.00 0.00 H new ATOM 0 HA ILE A 31 7.830 0.937 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 31 5.520 0.006 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.098 -0.700 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.906 0.583 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.448 -2.286 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.252 -1.293 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.066 -1.614 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.939 -1.467 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.161 -1.048 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.371 -2.352 -0.252 1.00 0.00 H new ATOM 472 N TYR A 32 6.397 2.953 -2.940 1.00 0.00 N ATOM 473 CA TYR A 32 5.660 4.205 -3.015 1.00 0.00 C ATOM 474 C TYR A 32 4.397 4.046 -3.855 1.00 0.00 C ATOM 475 O TYR A 32 4.275 3.104 -4.641 1.00 0.00 O ATOM 476 CB TYR A 32 6.539 5.311 -3.614 1.00 0.00 C ATOM 477 CG TYR A 32 7.686 5.739 -2.728 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.833 4.963 -2.621 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.621 6.918 -2.000 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.882 5.351 -1.812 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.667 7.313 -1.189 1.00 0.00 C ATOM 482 CZ TYR A 32 9.795 6.527 -1.098 1.00 0.00 C ATOM 483 OH TYR A 32 10.839 6.914 -0.283 1.00 0.00 O ATOM 0 H TYR A 32 6.740 2.612 -3.838 1.00 0.00 H new ATOM 0 HA TYR A 32 5.373 4.483 -2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.940 4.965 -4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.916 6.179 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.905 4.041 -3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.739 7.537 -2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.767 4.736 -1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.601 8.234 -0.629 1.00 0.00 H new ATOM 0 HH TYR A 32 10.674 6.602 0.631 1.00 0.00 H new ATOM 493 N ILE A 33 3.459 4.962 -3.668 1.00 0.00 N ATOM 494 CA ILE A 33 2.207 4.947 -4.413 1.00 0.00 C ATOM 495 C ILE A 33 2.415 5.543 -5.802 1.00 0.00 C ATOM 496 O ILE A 33 2.837 6.694 -5.933 1.00 0.00 O ATOM 497 CB ILE A 33 1.100 5.744 -3.681 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.875 5.193 -2.267 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.200 5.713 -4.479 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.343 3.774 -2.236 1.00 0.00 C ATOM 0 H ILE A 33 3.541 5.730 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 33 1.889 3.908 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 33 1.428 6.780 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.817 5.229 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.176 5.844 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.966 6.278 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.035 6.158 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.529 4.681 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.211 3.457 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.616 3.733 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.051 3.109 -2.731 1.00 0.00 H new ATOM 512 N GLY A 34 2.136 4.754 -6.829 1.00 0.00 N ATOM 513 CA GLY A 34 2.296 5.216 -8.189 1.00 0.00 C ATOM 514 C GLY A 34 1.120 6.036 -8.664 1.00 0.00 C ATOM 515 O GLY A 34 1.172 7.266 -8.656 1.00 0.00 O ATOM 0 H GLY A 34 1.799 3.795 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.205 5.814 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.426 4.357 -8.848 1.00 0.00 H new ATOM 519 N SER A 35 0.060 5.366 -9.079 1.00 0.00 N ATOM 520 CA SER A 35 -1.125 6.051 -9.560 1.00 0.00 C ATOM 521 C SER A 35 -2.380 5.512 -8.884 1.00 0.00 C ATOM 522 O SER A 35 -2.484 4.314 -8.609 1.00 0.00 O ATOM 523 CB SER A 35 -1.233 5.899 -11.077 1.00 0.00 C ATOM 524 OG SER A 35 -0.075 6.410 -11.721 1.00 0.00 O ATOM 0 H SER A 35 -0.004 4.348 -9.092 1.00 0.00 H new ATOM 0 HA SER A 35 -1.037 7.109 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.362 4.847 -11.333 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.117 6.426 -11.437 1.00 0.00 H new ATOM 0 HG SER A 35 -0.165 6.301 -12.691 1.00 0.00 H new ATOM 530 N ILE A 36 -3.320 6.409 -8.606 1.00 0.00 N ATOM 531 CA ILE A 36 -4.576 6.037 -7.970 1.00 0.00 C ATOM 532 C ILE A 36 -5.641 5.793 -9.030 1.00 0.00 C ATOM 533 O ILE A 36 -5.825 6.608 -9.932 1.00 0.00 O ATOM 534 CB ILE A 36 -5.066 7.132 -6.995 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.985 7.443 -5.959 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.359 6.706 -6.308 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.312 8.627 -5.076 1.00 0.00 C ATOM 0 H ILE A 36 -3.234 7.404 -8.813 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.401 5.125 -7.400 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.269 8.036 -7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.832 6.565 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.044 7.635 -6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.685 7.492 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.130 6.534 -7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.187 5.787 -5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.500 8.787 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.436 9.517 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.236 8.431 -4.532 1.00 0.00 H new ATOM 549 N MET A 37 -6.331 4.672 -8.919 1.00 0.00 N ATOM 550 CA MET A 37 -7.369 4.312 -9.873 1.00 0.00 C ATOM 551 C MET A 37 -8.742 4.691 -9.333 1.00 0.00 C ATOM 552 O MET A 37 -9.116 4.293 -8.223 1.00 0.00 O ATOM 553 CB MET A 37 -7.319 2.811 -10.175 1.00 0.00 C ATOM 554 CG MET A 37 -5.920 2.295 -10.490 1.00 0.00 C ATOM 555 SD MET A 37 -5.117 3.219 -11.815 1.00 0.00 S ATOM 556 CE MET A 37 -3.429 2.648 -11.638 1.00 0.00 C ATOM 0 H MET A 37 -6.191 3.990 -8.173 1.00 0.00 H new ATOM 0 HA MET A 37 -7.192 4.862 -10.797 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.714 2.264 -9.319 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.974 2.597 -11.020 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.306 2.350 -9.591 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.980 1.244 -10.771 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.792 3.168 -12.353 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.080 2.852 -10.626 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.386 1.575 -11.827 1.00 0.00 H new ATOM 566 N LYS A 38 -9.484 5.469 -10.113 1.00 0.00 N ATOM 567 CA LYS A 38 -10.815 5.901 -9.720 1.00 0.00 C ATOM 568 C LYS A 38 -11.747 4.701 -9.621 1.00 0.00 C ATOM 569 O LYS A 38 -11.949 3.971 -10.594 1.00 0.00 O ATOM 570 CB LYS A 38 -11.368 6.932 -10.711 1.00 0.00 C ATOM 571 CG LYS A 38 -12.536 7.741 -10.164 1.00 0.00 C ATOM 572 CD LYS A 38 -12.194 8.371 -8.823 1.00 0.00 C ATOM 573 CE LYS A 38 -13.214 9.419 -8.408 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.558 8.829 -8.168 1.00 0.00 N ATOM 0 H LYS A 38 -9.182 5.813 -11.025 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.749 6.376 -8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.567 7.614 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.687 6.417 -11.617 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.806 8.521 -10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.407 7.096 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.142 7.594 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.206 8.829 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.871 9.919 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.287 10.181 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.221 9.579 -7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.898 8.374 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.496 8.120 -7.409 1.00 0.00 H new ATOM 588 N GLY A 39 -12.304 4.503 -8.437 1.00 0.00 N ATOM 589 CA GLY A 39 -13.188 3.383 -8.202 1.00 0.00 C ATOM 590 C GLY A 39 -12.628 2.458 -7.145 1.00 0.00 C ATOM 591 O GLY A 39 -13.312 1.556 -6.662 1.00 0.00 O ATOM 0 H GLY A 39 -12.157 5.105 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.166 3.748 -7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.336 2.832 -9.131 1.00 0.00 H new ATOM 595 N GLY A 40 -11.372 2.681 -6.791 1.00 0.00 N ATOM 596 CA GLY A 40 -10.729 1.863 -5.791 1.00 0.00 C ATOM 597 C GLY A 40 -11.044 2.323 -4.385 1.00 0.00 C ATOM 598 O GLY A 40 -11.597 3.405 -4.186 1.00 0.00 O ATOM 0 H GLY A 40 -10.786 3.418 -7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.047 0.828 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.650 1.885 -5.945 1.00 0.00 H new ATOM 602 N ALA A 41 -10.691 1.501 -3.409 1.00 0.00 N ATOM 603 CA ALA A 41 -10.933 1.809 -2.010 1.00 0.00 C ATOM 604 C ALA A 41 -10.186 3.067 -1.573 1.00 0.00 C ATOM 605 O ALA A 41 -10.687 3.840 -0.757 1.00 0.00 O ATOM 606 CB ALA A 41 -10.541 0.624 -1.142 1.00 0.00 C ATOM 0 H ALA A 41 -10.230 0.604 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.998 2.004 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.726 0.863 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.133 -0.246 -1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.483 0.404 -1.283 1.00 0.00 H new ATOM 612 N VAL A 42 -8.995 3.274 -2.125 1.00 0.00 N ATOM 613 CA VAL A 42 -8.186 4.442 -1.789 1.00 0.00 C ATOM 614 C VAL A 42 -8.778 5.708 -2.407 1.00 0.00 C ATOM 615 O VAL A 42 -8.705 6.794 -1.826 1.00 0.00 O ATOM 616 CB VAL A 42 -6.729 4.268 -2.266 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.918 5.527 -2.007 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.081 3.068 -1.589 1.00 0.00 C ATOM 0 H VAL A 42 -8.568 2.648 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.189 4.539 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.746 4.090 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.895 5.378 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.364 6.364 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.913 5.743 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.054 2.963 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.083 3.215 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.642 2.166 -1.833 1.00 0.00 H new ATOM 628 N ALA A 43 -9.405 5.553 -3.566 1.00 0.00 N ATOM 629 CA ALA A 43 -10.020 6.674 -4.272 1.00 0.00 C ATOM 630 C ALA A 43 -11.228 7.212 -3.508 1.00 0.00 C ATOM 631 O ALA A 43 -11.792 8.249 -3.859 1.00 0.00 O ATOM 632 CB ALA A 43 -10.423 6.246 -5.674 1.00 0.00 C ATOM 0 H ALA A 43 -9.502 4.656 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.287 7.478 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.881 7.088 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.540 5.918 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.138 5.425 -5.613 1.00 0.00 H new ATOM 638 N ALA A 44 -11.626 6.492 -2.468 1.00 0.00 N ATOM 639 CA ALA A 44 -12.751 6.894 -1.643 1.00 0.00 C ATOM 640 C ALA A 44 -12.270 7.547 -0.350 1.00 0.00 C ATOM 641 O ALA A 44 -13.074 8.019 0.453 1.00 0.00 O ATOM 642 CB ALA A 44 -13.627 5.691 -1.339 1.00 0.00 C ATOM 0 H ALA A 44 -11.181 5.621 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.339 7.629 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.469 6.001 -0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.999 5.267 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.042 4.940 -0.807 1.00 0.00 H new ATOM 648 N ASP A 45 -10.961 7.574 -0.152 1.00 0.00 N ATOM 649 CA ASP A 45 -10.388 8.174 1.046 1.00 0.00 C ATOM 650 C ASP A 45 -9.974 9.611 0.765 1.00 0.00 C ATOM 651 O ASP A 45 -10.593 10.554 1.257 1.00 0.00 O ATOM 652 CB ASP A 45 -9.185 7.368 1.538 1.00 0.00 C ATOM 653 CG ASP A 45 -8.757 7.778 2.934 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.194 8.883 3.094 1.00 0.00 O ATOM 655 OD2 ASP A 45 -8.994 7.001 3.882 1.00 0.00 O ATOM 0 H ASP A 45 -10.276 7.189 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.147 8.168 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.433 6.307 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.351 7.504 0.849 1.00 0.00 H new ATOM 660 N GLY A 46 -8.927 9.775 -0.030 1.00 0.00 N ATOM 661 CA GLY A 46 -8.474 11.106 -0.374 1.00 0.00 C ATOM 662 C GLY A 46 -7.191 11.521 0.324 1.00 0.00 C ATOM 663 O GLY A 46 -6.475 12.388 -0.174 1.00 0.00 O ATOM 0 H GLY A 46 -8.386 9.014 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.323 11.160 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.258 11.821 -0.126 1.00 0.00 H new ATOM 667 N ARG A 47 -6.886 10.916 1.467 1.00 0.00 N ATOM 668 CA ARG A 47 -5.671 11.269 2.204 1.00 0.00 C ATOM 669 C ARG A 47 -4.424 10.713 1.518 1.00 0.00 C ATOM 670 O ARG A 47 -3.348 11.316 1.575 1.00 0.00 O ATOM 671 CB ARG A 47 -5.752 10.773 3.650 1.00 0.00 C ATOM 672 CG ARG A 47 -6.705 11.586 4.513 1.00 0.00 C ATOM 673 CD ARG A 47 -6.990 10.906 5.842 1.00 0.00 C ATOM 674 NE ARG A 47 -7.669 9.627 5.664 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.127 8.875 6.662 1.00 0.00 C ATOM 676 NH1 ARG A 47 -7.955 9.251 7.926 1.00 0.00 N ATOM 677 NH2 ARG A 47 -8.749 7.739 6.389 1.00 0.00 N ATOM 0 H ARG A 47 -7.453 10.188 1.901 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.593 12.356 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.071 9.731 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.757 10.803 4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.278 12.572 4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.641 11.738 3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.054 10.749 6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.605 11.560 6.460 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.801 9.287 4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.469 10.122 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.310 8.668 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.874 7.446 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.103 7.156 7.148 1.00 0.00 H new ATOM 691 N ILE A 48 -4.571 9.559 0.880 1.00 0.00 N ATOM 692 CA ILE A 48 -3.465 8.935 0.170 1.00 0.00 C ATOM 693 C ILE A 48 -3.327 9.561 -1.209 1.00 0.00 C ATOM 694 O ILE A 48 -4.314 9.699 -1.934 1.00 0.00 O ATOM 695 CB ILE A 48 -3.656 7.407 0.023 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.761 6.748 1.400 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.506 6.796 -0.773 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.901 5.238 1.349 1.00 0.00 C ATOM 0 H ILE A 48 -5.446 9.037 0.840 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.561 9.103 0.756 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.584 7.227 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.875 7.002 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.619 7.165 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.658 5.721 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.472 7.244 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.565 6.986 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.970 4.845 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.802 4.975 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.031 4.809 0.851 1.00 0.00 H new ATOM 710 N GLU A 49 -2.113 9.945 -1.563 1.00 0.00 N ATOM 711 CA GLU A 49 -1.856 10.565 -2.854 1.00 0.00 C ATOM 712 C GLU A 49 -0.632 9.928 -3.516 1.00 0.00 C ATOM 713 O GLU A 49 0.167 9.268 -2.848 1.00 0.00 O ATOM 714 CB GLU A 49 -1.644 12.075 -2.679 1.00 0.00 C ATOM 715 CG GLU A 49 -0.346 12.431 -1.979 1.00 0.00 C ATOM 716 CD GLU A 49 -0.236 13.908 -1.686 1.00 0.00 C ATOM 717 OE1 GLU A 49 0.241 14.659 -2.562 1.00 0.00 O ATOM 718 OE2 GLU A 49 -0.616 14.328 -0.570 1.00 0.00 O ATOM 0 H GLU A 49 -1.287 9.839 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.720 10.404 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.660 12.551 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.478 12.487 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.274 11.872 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.495 12.123 -2.600 1.00 0.00 H new ATOM 725 N PRO A 50 -0.477 10.088 -4.842 1.00 0.00 N ATOM 726 CA PRO A 50 0.670 9.535 -5.562 1.00 0.00 C ATOM 727 C PRO A 50 1.976 10.093 -5.009 1.00 0.00 C ATOM 728 O PRO A 50 2.144 11.310 -4.905 1.00 0.00 O ATOM 729 CB PRO A 50 0.452 9.994 -7.008 1.00 0.00 C ATOM 730 CG PRO A 50 -1.002 10.300 -7.100 1.00 0.00 C ATOM 731 CD PRO A 50 -1.402 10.800 -5.741 1.00 0.00 C ATOM 0 HA PRO A 50 0.742 8.451 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.055 10.872 -7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.737 9.216 -7.716 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.196 11.051 -7.866 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.572 9.412 -7.373 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.292 11.881 -5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.443 10.568 -5.516 1.00 0.00 H new ATOM 739 N GLY A 51 2.884 9.207 -4.638 1.00 0.00 N ATOM 740 CA GLY A 51 4.150 9.637 -4.084 1.00 0.00 C ATOM 741 C GLY A 51 4.291 9.250 -2.626 1.00 0.00 C ATOM 742 O GLY A 51 5.395 9.268 -2.082 1.00 0.00 O ATOM 0 H GLY A 51 2.768 8.196 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.965 9.195 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.240 10.719 -4.183 1.00 0.00 H new ATOM 746 N ASP A 52 3.171 8.911 -1.994 1.00 0.00 N ATOM 747 CA ASP A 52 3.175 8.500 -0.592 1.00 0.00 C ATOM 748 C ASP A 52 3.908 7.170 -0.442 1.00 0.00 C ATOM 749 O ASP A 52 3.827 6.307 -1.318 1.00 0.00 O ATOM 750 CB ASP A 52 1.744 8.366 -0.052 1.00 0.00 C ATOM 751 CG ASP A 52 1.068 9.702 0.219 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.768 10.727 0.340 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.176 9.732 0.318 1.00 0.00 O ATOM 0 H ASP A 52 2.249 8.913 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 52 3.690 9.268 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.145 7.804 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.765 7.785 0.870 1.00 0.00 H new ATOM 758 N MET A 53 4.627 7.007 0.658 1.00 0.00 N ATOM 759 CA MET A 53 5.383 5.784 0.904 1.00 0.00 C ATOM 760 C MET A 53 4.629 4.855 1.848 1.00 0.00 C ATOM 761 O MET A 53 4.116 5.289 2.875 1.00 0.00 O ATOM 762 CB MET A 53 6.757 6.131 1.487 1.00 0.00 C ATOM 763 CG MET A 53 7.598 4.920 1.850 1.00 0.00 C ATOM 764 SD MET A 53 9.251 5.377 2.401 1.00 0.00 S ATOM 765 CE MET A 53 9.905 3.779 2.874 1.00 0.00 C ATOM 0 H MET A 53 4.704 7.706 1.397 1.00 0.00 H new ATOM 0 HA MET A 53 5.516 5.264 -0.045 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.304 6.737 0.765 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.618 6.744 2.377 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.098 4.356 2.637 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.675 4.261 0.985 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.987 3.775 2.742 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.667 3.583 3.919 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.460 3.004 2.249 1.00 0.00 H new ATOM 775 N LEU A 54 4.558 3.580 1.495 1.00 0.00 N ATOM 776 CA LEU A 54 3.874 2.598 2.323 1.00 0.00 C ATOM 777 C LEU A 54 4.848 1.989 3.323 1.00 0.00 C ATOM 778 O LEU A 54 5.900 1.473 2.943 1.00 0.00 O ATOM 779 CB LEU A 54 3.253 1.499 1.460 1.00 0.00 C ATOM 780 CG LEU A 54 1.923 1.857 0.796 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.446 0.712 -0.080 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.875 2.190 1.846 1.00 0.00 C ATOM 0 H LEU A 54 4.966 3.201 0.640 1.00 0.00 H new ATOM 0 HA LEU A 54 3.074 3.103 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.966 1.226 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.103 0.615 2.080 1.00 0.00 H new ATOM 0 HG LEU A 54 2.076 2.736 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.498 0.981 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.187 0.513 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.310 -0.181 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.065 2.442 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.725 1.328 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.213 3.039 2.441 1.00 0.00 H new ATOM 794 N LEU A 55 4.504 2.066 4.599 1.00 0.00 N ATOM 795 CA LEU A 55 5.358 1.525 5.648 1.00 0.00 C ATOM 796 C LEU A 55 4.821 0.192 6.159 1.00 0.00 C ATOM 797 O LEU A 55 5.430 -0.856 5.955 1.00 0.00 O ATOM 798 CB LEU A 55 5.475 2.521 6.804 1.00 0.00 C ATOM 799 CG LEU A 55 5.873 3.943 6.412 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.831 4.853 7.630 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.257 3.968 5.776 1.00 0.00 C ATOM 0 H LEU A 55 3.642 2.496 4.934 1.00 0.00 H new ATOM 0 HA LEU A 55 6.347 1.355 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.518 2.561 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.208 2.141 7.515 1.00 0.00 H new ATOM 0 HG LEU A 55 5.158 4.307 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.116 5.864 7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.821 4.865 8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.525 4.483 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.515 4.992 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.990 3.583 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.257 3.346 4.881 1.00 0.00 H new ATOM 813 N GLN A 56 3.676 0.239 6.824 1.00 0.00 N ATOM 814 CA GLN A 56 3.054 -0.960 7.372 1.00 0.00 C ATOM 815 C GLN A 56 1.633 -1.120 6.838 1.00 0.00 C ATOM 816 O GLN A 56 0.891 -0.142 6.723 1.00 0.00 O ATOM 817 CB GLN A 56 3.046 -0.885 8.902 1.00 0.00 C ATOM 818 CG GLN A 56 2.133 -1.902 9.571 1.00 0.00 C ATOM 819 CD GLN A 56 2.176 -1.832 11.088 1.00 0.00 C ATOM 820 OE1 GLN A 56 1.176 -2.082 11.762 1.00 0.00 O ATOM 821 NE2 GLN A 56 3.333 -1.495 11.638 1.00 0.00 N ATOM 0 H GLN A 56 3.156 1.099 6.998 1.00 0.00 H new ATOM 0 HA GLN A 56 3.632 -1.830 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.063 -1.030 9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.739 0.116 9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.109 -1.739 9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.419 -2.904 9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.140 -1.295 11.047 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.417 -1.436 12.653 1.00 0.00 H new ATOM 830 N VAL A 57 1.270 -2.349 6.497 1.00 0.00 N ATOM 831 CA VAL A 57 -0.061 -2.644 5.981 1.00 0.00 C ATOM 832 C VAL A 57 -0.663 -3.830 6.725 1.00 0.00 C ATOM 833 O VAL A 57 -0.293 -4.975 6.478 1.00 0.00 O ATOM 834 CB VAL A 57 -0.041 -2.953 4.466 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.458 -3.168 3.947 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.650 -1.838 3.689 1.00 0.00 C ATOM 0 H VAL A 57 1.882 -3.162 6.569 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.670 -1.754 6.139 1.00 0.00 H new ATOM 0 HB VAL A 57 0.527 -3.871 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.425 -3.384 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.915 -4.006 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.048 -2.268 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.650 -2.081 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.117 -0.900 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.678 -1.734 4.038 1.00 0.00 H new ATOM 846 N ASN A 58 -1.574 -3.539 7.646 1.00 0.00 N ATOM 847 CA ASN A 58 -2.245 -4.563 8.445 1.00 0.00 C ATOM 848 C ASN A 58 -1.262 -5.324 9.329 1.00 0.00 C ATOM 849 O ASN A 58 -1.005 -6.509 9.116 1.00 0.00 O ATOM 850 CB ASN A 58 -3.034 -5.542 7.558 1.00 0.00 C ATOM 851 CG ASN A 58 -4.403 -5.009 7.177 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.567 -4.365 6.144 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.403 -5.281 8.003 1.00 0.00 N ATOM 0 H ASN A 58 -1.870 -2.587 7.862 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.950 -4.044 9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.463 -5.747 6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.150 -6.490 8.083 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.345 -4.953 7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.231 -5.819 8.853 1.00 0.00 H new ATOM 860 N ASP A 59 -0.691 -4.609 10.296 1.00 0.00 N ATOM 861 CA ASP A 59 0.247 -5.175 11.280 1.00 0.00 C ATOM 862 C ASP A 59 1.643 -5.456 10.718 1.00 0.00 C ATOM 863 O ASP A 59 2.638 -5.149 11.374 1.00 0.00 O ATOM 864 CB ASP A 59 -0.318 -6.447 11.929 1.00 0.00 C ATOM 865 CG ASP A 59 -1.416 -6.152 12.926 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.176 -5.363 13.865 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.527 -6.706 12.779 1.00 0.00 O ATOM 0 H ASP A 59 -0.864 -3.612 10.425 1.00 0.00 H new ATOM 0 HA ASP A 59 0.362 -4.399 12.037 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.705 -7.106 11.152 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.488 -6.984 12.430 1.00 0.00 H new ATOM 872 N VAL A 60 1.738 -6.042 9.531 1.00 0.00 N ATOM 873 CA VAL A 60 3.046 -6.347 8.957 1.00 0.00 C ATOM 874 C VAL A 60 3.750 -5.079 8.471 1.00 0.00 C ATOM 875 O VAL A 60 3.196 -4.289 7.699 1.00 0.00 O ATOM 876 CB VAL A 60 2.962 -7.388 7.814 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.595 -8.757 8.369 1.00 0.00 C ATOM 878 CG2 VAL A 60 1.964 -6.963 6.754 1.00 0.00 C ATOM 0 H VAL A 60 0.941 -6.312 8.954 1.00 0.00 H new ATOM 0 HA VAL A 60 3.638 -6.789 9.759 1.00 0.00 H new ATOM 0 HB VAL A 60 3.944 -7.450 7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.540 -9.478 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.354 -9.075 9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.628 -8.700 8.868 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.928 -7.715 5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.976 -6.862 7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.269 -6.006 6.330 1.00 0.00 H new ATOM 888 N ASN A 61 4.970 -4.885 8.953 1.00 0.00 N ATOM 889 CA ASN A 61 5.771 -3.723 8.598 1.00 0.00 C ATOM 890 C ASN A 61 6.728 -4.063 7.462 1.00 0.00 C ATOM 891 O ASN A 61 7.355 -5.122 7.471 1.00 0.00 O ATOM 892 CB ASN A 61 6.557 -3.242 9.821 1.00 0.00 C ATOM 893 CG ASN A 61 7.123 -1.848 9.639 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.546 -1.018 8.938 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.254 -1.578 10.271 1.00 0.00 N ATOM 0 H ASN A 61 5.430 -5.526 9.599 1.00 0.00 H new ATOM 0 HA ASN A 61 5.106 -2.927 8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.905 -3.254 10.695 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.372 -3.938 10.021 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.678 -0.654 10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.702 -2.294 10.843 1.00 0.00 H new ATOM 902 N PHE A 62 6.839 -3.165 6.489 1.00 0.00 N ATOM 903 CA PHE A 62 7.712 -3.387 5.342 1.00 0.00 C ATOM 904 C PHE A 62 8.907 -2.441 5.345 1.00 0.00 C ATOM 905 O PHE A 62 9.716 -2.456 4.415 1.00 0.00 O ATOM 906 CB PHE A 62 6.929 -3.214 4.040 1.00 0.00 C ATOM 907 CG PHE A 62 5.735 -4.118 3.931 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.882 -5.493 4.001 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.466 -3.590 3.760 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.787 -6.325 3.898 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.367 -4.418 3.655 1.00 0.00 C ATOM 912 CZ PHE A 62 3.525 -5.788 3.726 1.00 0.00 C ATOM 0 H PHE A 62 6.336 -2.278 6.472 1.00 0.00 H new ATOM 0 HA PHE A 62 8.088 -4.407 5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.599 -2.178 3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.595 -3.402 3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.865 -5.919 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.335 -2.519 3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.916 -7.396 3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.383 -3.994 3.517 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.666 -6.437 3.647 1.00 0.00 H new ATOM 922 N GLU A 63 9.022 -1.628 6.392 1.00 0.00 N ATOM 923 CA GLU A 63 10.122 -0.666 6.511 1.00 0.00 C ATOM 924 C GLU A 63 11.475 -1.370 6.480 1.00 0.00 C ATOM 925 O GLU A 63 12.456 -0.828 5.971 1.00 0.00 O ATOM 926 CB GLU A 63 9.991 0.135 7.806 1.00 0.00 C ATOM 927 CG GLU A 63 8.775 1.046 7.849 1.00 0.00 C ATOM 928 CD GLU A 63 8.585 1.700 9.202 1.00 0.00 C ATOM 929 OE1 GLU A 63 8.915 1.063 10.225 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.100 2.847 9.251 1.00 0.00 O ATOM 0 H GLU A 63 8.367 -1.614 7.174 1.00 0.00 H new ATOM 0 HA GLU A 63 10.064 0.012 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.943 -0.558 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.889 0.738 7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.877 1.819 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.884 0.469 7.600 1.00 0.00 H new ATOM 937 N ASN A 64 11.521 -2.578 7.021 1.00 0.00 N ATOM 938 CA ASN A 64 12.755 -3.349 7.059 1.00 0.00 C ATOM 939 C ASN A 64 12.626 -4.619 6.223 1.00 0.00 C ATOM 940 O ASN A 64 13.046 -5.699 6.640 1.00 0.00 O ATOM 941 CB ASN A 64 13.120 -3.703 8.504 1.00 0.00 C ATOM 942 CG ASN A 64 13.633 -2.507 9.289 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.380 -1.676 8.768 1.00 0.00 O ATOM 944 ND2 ASN A 64 13.223 -2.400 10.544 1.00 0.00 N ATOM 0 H ASN A 64 10.718 -3.046 7.440 1.00 0.00 H new ATOM 0 HA ASN A 64 13.551 -2.737 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.244 -4.113 9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.880 -4.484 8.501 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.525 -1.610 11.114 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.605 -3.108 10.941 1.00 0.00 H new ATOM 951 N MET A 65 12.033 -4.482 5.043 1.00 0.00 N ATOM 952 CA MET A 65 11.849 -5.611 4.138 1.00 0.00 C ATOM 953 C MET A 65 12.169 -5.198 2.707 1.00 0.00 C ATOM 954 O MET A 65 12.224 -4.006 2.398 1.00 0.00 O ATOM 955 CB MET A 65 10.414 -6.144 4.221 1.00 0.00 C ATOM 956 CG MET A 65 10.176 -7.090 5.390 1.00 0.00 C ATOM 957 SD MET A 65 8.496 -7.743 5.427 1.00 0.00 S ATOM 958 CE MET A 65 8.398 -8.516 3.812 1.00 0.00 C ATOM 0 H MET A 65 11.670 -3.597 4.689 1.00 0.00 H new ATOM 0 HA MET A 65 12.532 -6.405 4.439 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.728 -5.301 4.302 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.174 -6.662 3.292 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.882 -7.918 5.331 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.378 -6.565 6.324 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.760 -9.398 3.869 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.978 -7.810 3.096 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.396 -8.810 3.488 1.00 0.00 H new ATOM 968 N SER A 66 12.397 -6.178 1.846 1.00 0.00 N ATOM 969 CA SER A 66 12.707 -5.918 0.449 1.00 0.00 C ATOM 970 C SER A 66 11.479 -5.369 -0.273 1.00 0.00 C ATOM 971 O SER A 66 10.349 -5.697 0.085 1.00 0.00 O ATOM 972 CB SER A 66 13.183 -7.211 -0.217 1.00 0.00 C ATOM 973 OG SER A 66 13.849 -8.045 0.722 1.00 0.00 O ATOM 0 H SER A 66 12.373 -7.167 2.093 1.00 0.00 H new ATOM 0 HA SER A 66 13.500 -5.173 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.331 -7.742 -0.642 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.855 -6.975 -1.042 1.00 0.00 H new ATOM 0 HG SER A 66 14.144 -8.867 0.278 1.00 0.00 H new ATOM 979 N ASN A 67 11.709 -4.546 -1.293 1.00 0.00 N ATOM 980 CA ASN A 67 10.621 -3.937 -2.061 1.00 0.00 C ATOM 981 C ASN A 67 9.729 -5.008 -2.675 1.00 0.00 C ATOM 982 O ASN A 67 8.502 -4.941 -2.577 1.00 0.00 O ATOM 983 CB ASN A 67 11.174 -3.039 -3.173 1.00 0.00 C ATOM 984 CG ASN A 67 12.360 -2.204 -2.727 1.00 0.00 C ATOM 985 OD1 ASN A 67 12.199 -1.138 -2.137 1.00 0.00 O ATOM 986 ND2 ASN A 67 13.559 -2.683 -3.016 1.00 0.00 N ATOM 0 H ASN A 67 12.642 -4.283 -1.609 1.00 0.00 H new ATOM 0 HA ASN A 67 10.031 -3.330 -1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.471 -3.659 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.383 -2.377 -3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.394 -2.163 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.648 -3.572 -3.507 1.00 0.00 H new ATOM 993 N ASP A 68 10.357 -5.998 -3.291 1.00 0.00 N ATOM 994 CA ASP A 68 9.636 -7.097 -3.925 1.00 0.00 C ATOM 995 C ASP A 68 8.835 -7.873 -2.893 1.00 0.00 C ATOM 996 O ASP A 68 7.642 -8.110 -3.065 1.00 0.00 O ATOM 997 CB ASP A 68 10.606 -8.046 -4.630 1.00 0.00 C ATOM 998 CG ASP A 68 11.100 -7.505 -5.953 1.00 0.00 C ATOM 999 OD1 ASP A 68 10.462 -7.773 -6.989 1.00 0.00 O ATOM 1000 OD2 ASP A 68 12.143 -6.818 -5.964 1.00 0.00 O ATOM 0 H ASP A 68 11.372 -6.065 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 68 8.957 -6.670 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.459 -8.235 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.113 -9.004 -4.796 1.00 0.00 H new ATOM 1005 N ASP A 69 9.501 -8.244 -1.808 1.00 0.00 N ATOM 1006 CA ASP A 69 8.874 -9.003 -0.731 1.00 0.00 C ATOM 1007 C ASP A 69 7.694 -8.245 -0.143 1.00 0.00 C ATOM 1008 O ASP A 69 6.657 -8.833 0.165 1.00 0.00 O ATOM 1009 CB ASP A 69 9.890 -9.305 0.365 1.00 0.00 C ATOM 1010 CG ASP A 69 10.040 -10.790 0.625 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.560 -11.601 -0.200 1.00 0.00 O ATOM 1012 OD2 ASP A 69 10.653 -11.152 1.651 1.00 0.00 O ATOM 0 H ASP A 69 10.485 -8.030 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 69 8.508 -9.940 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.857 -8.889 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.585 -8.807 1.286 1.00 0.00 H new ATOM 1017 N ALA A 70 7.859 -6.937 0.008 1.00 0.00 N ATOM 1018 CA ALA A 70 6.808 -6.083 0.542 1.00 0.00 C ATOM 1019 C ALA A 70 5.554 -6.186 -0.317 1.00 0.00 C ATOM 1020 O ALA A 70 4.450 -6.382 0.197 1.00 0.00 O ATOM 1021 CB ALA A 70 7.288 -4.642 0.616 1.00 0.00 C ATOM 0 H ALA A 70 8.718 -6.442 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 70 6.563 -6.418 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.493 -4.014 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.161 -4.582 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.555 -4.296 -0.382 1.00 0.00 H new ATOM 1027 N VAL A 71 5.737 -6.070 -1.629 1.00 0.00 N ATOM 1028 CA VAL A 71 4.622 -6.166 -2.561 1.00 0.00 C ATOM 1029 C VAL A 71 4.014 -7.567 -2.514 1.00 0.00 C ATOM 1030 O VAL A 71 2.799 -7.726 -2.588 1.00 0.00 O ATOM 1031 CB VAL A 71 5.053 -5.833 -4.011 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.906 -6.071 -4.988 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.540 -4.393 -4.112 1.00 0.00 C ATOM 0 H VAL A 71 6.644 -5.910 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 71 3.877 -5.432 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 71 5.875 -6.497 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.234 -5.830 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.602 -7.117 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.062 -5.436 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.838 -4.181 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.737 -3.716 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.394 -4.250 -3.450 1.00 0.00 H new ATOM 1043 N ARG A 72 4.868 -8.579 -2.368 1.00 0.00 N ATOM 1044 CA ARG A 72 4.411 -9.964 -2.305 1.00 0.00 C ATOM 1045 C ARG A 72 3.444 -10.169 -1.142 1.00 0.00 C ATOM 1046 O ARG A 72 2.372 -10.750 -1.310 1.00 0.00 O ATOM 1047 CB ARG A 72 5.593 -10.921 -2.169 1.00 0.00 C ATOM 1048 CG ARG A 72 6.450 -11.016 -3.418 1.00 0.00 C ATOM 1049 CD ARG A 72 7.673 -11.882 -3.181 1.00 0.00 C ATOM 1050 NE ARG A 72 8.635 -11.782 -4.277 1.00 0.00 N ATOM 1051 CZ ARG A 72 9.952 -11.663 -4.109 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.472 -11.608 -2.884 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.743 -11.586 -5.172 1.00 0.00 N ATOM 0 H ARG A 72 5.879 -8.465 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 72 3.888 -10.180 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.216 -10.598 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.218 -11.914 -1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.861 -11.431 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.762 -10.018 -3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.153 -11.584 -2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.364 -12.921 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 72 8.276 -11.805 -5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.862 -11.657 -2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.481 -11.517 -2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.342 -11.618 -6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.752 -11.495 -5.052 1.00 0.00 H new ATOM 1067 N VAL A 73 3.831 -9.685 0.036 1.00 0.00 N ATOM 1068 CA VAL A 73 2.986 -9.805 1.220 1.00 0.00 C ATOM 1069 C VAL A 73 1.700 -9.019 1.019 1.00 0.00 C ATOM 1070 O VAL A 73 0.608 -9.484 1.355 1.00 0.00 O ATOM 1071 CB VAL A 73 3.697 -9.293 2.490 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.848 -9.547 3.725 1.00 0.00 C ATOM 1073 CG2 VAL A 73 5.062 -9.938 2.648 1.00 0.00 C ATOM 0 H VAL A 73 4.719 -9.209 0.195 1.00 0.00 H new ATOM 0 HA VAL A 73 2.765 -10.864 1.357 1.00 0.00 H new ATOM 0 HB VAL A 73 3.837 -8.217 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.370 -9.178 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.894 -9.029 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.670 -10.617 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.541 -9.559 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.947 -11.019 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.680 -9.699 1.782 1.00 0.00 H new ATOM 1083 N LEU A 74 1.843 -7.826 0.449 1.00 0.00 N ATOM 1084 CA LEU A 74 0.708 -6.959 0.179 1.00 0.00 C ATOM 1085 C LEU A 74 -0.294 -7.666 -0.727 1.00 0.00 C ATOM 1086 O LEU A 74 -1.501 -7.578 -0.518 1.00 0.00 O ATOM 1087 CB LEU A 74 1.186 -5.657 -0.468 1.00 0.00 C ATOM 1088 CG LEU A 74 0.103 -4.605 -0.714 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.439 -4.070 0.600 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.644 -3.471 -1.566 1.00 0.00 C ATOM 0 H LEU A 74 2.743 -7.438 0.164 1.00 0.00 H new ATOM 0 HA LEU A 74 0.214 -6.722 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.956 -5.218 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.657 -5.897 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.716 -5.082 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.208 -3.324 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.870 -4.889 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.371 -3.613 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.141 -2.733 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.484 -3.000 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.978 -3.865 -2.526 1.00 0.00 H new ATOM 1102 N ARG A 75 0.226 -8.387 -1.719 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.608 -9.127 -2.661 1.00 0.00 C ATOM 1104 C ARG A 75 -1.500 -10.123 -1.934 1.00 0.00 C ATOM 1105 O ARG A 75 -2.679 -10.257 -2.254 1.00 0.00 O ATOM 1106 CB ARG A 75 0.260 -9.856 -3.692 1.00 0.00 C ATOM 1107 CG ARG A 75 0.929 -8.925 -4.689 1.00 0.00 C ATOM 1108 CD ARG A 75 1.846 -9.678 -5.644 1.00 0.00 C ATOM 1109 NE ARG A 75 1.097 -10.394 -6.674 1.00 0.00 N ATOM 1110 CZ ARG A 75 1.202 -10.158 -7.985 1.00 0.00 C ATOM 1111 NH1 ARG A 75 2.052 -9.240 -8.444 1.00 0.00 N ATOM 1112 NH2 ARG A 75 0.450 -10.851 -8.834 1.00 0.00 N ATOM 0 H ARG A 75 1.228 -8.474 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.244 -8.409 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.027 -10.428 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.358 -10.572 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.166 -8.396 -5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.505 -8.171 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.532 -8.975 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.454 -10.386 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 75 0.451 -11.123 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.630 -8.710 -7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.124 -9.068 -9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.199 -11.555 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.522 -10.679 -9.837 1.00 0.00 H new ATOM 1126 N GLU A 76 -0.941 -10.804 -0.942 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.692 -11.787 -0.171 1.00 0.00 C ATOM 1128 C GLU A 76 -2.811 -11.120 0.624 1.00 0.00 C ATOM 1129 O GLU A 76 -3.937 -11.619 0.668 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.761 -12.548 0.773 1.00 0.00 C ATOM 1131 CG GLU A 76 0.291 -13.374 0.052 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.309 -14.275 -1.006 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -0.939 -15.290 -0.644 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.163 -13.969 -2.206 1.00 0.00 O ATOM 0 H GLU A 76 0.031 -10.694 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.141 -12.492 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.264 -11.836 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.357 -13.206 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.018 -12.707 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.833 -13.981 0.777 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.497 -9.984 1.232 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.471 -9.241 2.026 1.00 0.00 C ATOM 1143 C ILE A 77 -4.550 -8.630 1.135 1.00 0.00 C ATOM 1144 O ILE A 77 -5.737 -8.695 1.443 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.793 -8.118 2.841 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.624 -8.680 3.655 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.806 -7.439 3.755 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.751 -7.612 4.279 1.00 0.00 C ATOM 0 H ILE A 77 -1.573 -9.554 1.191 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.930 -9.951 2.714 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.402 -7.373 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.017 -9.323 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.010 -9.307 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.312 -6.650 4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.606 -7.007 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.225 -8.173 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.056 -8.084 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.329 -6.983 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.351 -6.999 4.952 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.122 -8.053 0.021 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.031 -7.422 -0.931 1.00 0.00 C ATOM 1162 C VAL A 78 -5.982 -8.441 -1.559 1.00 0.00 C ATOM 1163 O VAL A 78 -7.153 -8.146 -1.804 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.230 -6.676 -2.026 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.088 -6.350 -3.242 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.630 -5.404 -1.448 1.00 0.00 C ATOM 0 H VAL A 78 -3.140 -8.008 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.638 -6.699 -0.385 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.432 -7.338 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.484 -5.827 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.473 -7.274 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.921 -5.716 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.067 -4.883 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.429 -4.758 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.963 -5.658 -0.624 1.00 0.00 H new ATOM 1176 N SER A 79 -5.491 -9.651 -1.779 1.00 0.00 N ATOM 1177 CA SER A 79 -6.307 -10.700 -2.370 1.00 0.00 C ATOM 1178 C SER A 79 -7.159 -11.398 -1.306 1.00 0.00 C ATOM 1179 O SER A 79 -7.863 -12.365 -1.594 1.00 0.00 O ATOM 1180 CB SER A 79 -5.417 -11.714 -3.083 1.00 0.00 C ATOM 1181 OG SER A 79 -4.493 -11.063 -3.944 1.00 0.00 O ATOM 0 H SER A 79 -4.535 -9.930 -1.558 1.00 0.00 H new ATOM 0 HA SER A 79 -6.980 -10.243 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.877 -12.310 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.034 -12.403 -3.660 1.00 0.00 H new ATOM 0 HG SER A 79 -3.616 -11.020 -3.510 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.086 -10.908 -0.075 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.853 -11.474 1.022 1.00 0.00 C ATOM 1189 C GLN A 80 -8.961 -10.513 1.427 1.00 0.00 C ATOM 1190 O GLN A 80 -8.873 -9.310 1.178 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.941 -11.773 2.215 1.00 0.00 C ATOM 1192 CG GLN A 80 -7.227 -13.117 2.867 1.00 0.00 C ATOM 1193 CD GLN A 80 -7.008 -14.292 1.929 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -7.729 -15.289 1.982 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -6.003 -14.193 1.074 1.00 0.00 N ATOM 0 H GLN A 80 -6.500 -10.116 0.187 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.302 -12.411 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.903 -11.751 1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.056 -10.984 2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.587 -13.234 3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.257 -13.130 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.427 -13.351 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.804 -14.958 0.430 1.00 0.00 H new ATOM 1204 N THR A 81 -10.007 -11.037 2.036 1.00 0.00 N ATOM 1205 CA THR A 81 -11.121 -10.209 2.462 1.00 0.00 C ATOM 1206 C THR A 81 -10.963 -9.804 3.925 1.00 0.00 C ATOM 1207 O THR A 81 -10.823 -10.656 4.806 1.00 0.00 O ATOM 1208 CB THR A 81 -12.464 -10.938 2.267 1.00 0.00 C ATOM 1209 OG1 THR A 81 -12.446 -11.669 1.028 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.624 -9.950 2.262 1.00 0.00 C ATOM 0 H THR A 81 -10.110 -12.030 2.247 1.00 0.00 H new ATOM 0 HA THR A 81 -11.120 -9.313 1.842 1.00 0.00 H new ATOM 0 HB THR A 81 -12.603 -11.629 3.098 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.301 -12.132 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.561 -10.490 2.123 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.651 -9.415 3.212 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.491 -9.237 1.448 1.00 0.00 H new ATOM 1218 N GLY A 82 -10.962 -8.505 4.173 1.00 0.00 N ATOM 1219 CA GLY A 82 -10.817 -8.004 5.522 1.00 0.00 C ATOM 1220 C GLY A 82 -10.616 -6.504 5.535 1.00 0.00 C ATOM 1221 O GLY A 82 -10.572 -5.883 4.470 1.00 0.00 O ATOM 0 H GLY A 82 -11.060 -7.784 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.703 -8.259 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.969 -8.491 6.003 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.497 -5.889 6.720 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.298 -4.448 6.839 1.00 0.00 C ATOM 1227 C PRO A 83 -8.851 -4.052 6.550 1.00 0.00 C ATOM 1228 O PRO A 83 -7.990 -4.087 7.433 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.677 -4.160 8.293 1.00 0.00 C ATOM 1230 CG PRO A 83 -10.389 -5.428 9.029 1.00 0.00 C ATOM 1231 CD PRO A 83 -10.541 -6.555 8.037 1.00 0.00 C ATOM 0 HA PRO A 83 -10.891 -3.879 6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.096 -3.330 8.695 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.728 -3.884 8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.382 -5.413 9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.077 -5.554 9.865 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.740 -7.287 8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.480 -7.089 8.182 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.584 -3.702 5.302 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.247 -3.310 4.898 1.00 0.00 C ATOM 1241 C ILE A 84 -6.897 -1.937 5.464 1.00 0.00 C ATOM 1242 O ILE A 84 -7.574 -0.944 5.195 1.00 0.00 O ATOM 1243 CB ILE A 84 -7.089 -3.305 3.360 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.281 -4.721 2.807 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.720 -2.761 2.968 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -7.093 -4.825 1.306 1.00 0.00 C ATOM 0 H ILE A 84 -9.276 -3.682 4.553 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.557 -4.050 5.302 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.852 -2.656 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.576 -5.391 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.282 -5.068 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.625 -2.764 1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.614 -1.741 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.941 -3.388 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.245 -5.857 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.815 -4.182 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.083 -4.511 1.043 1.00 0.00 H new ATOM 1258 N SER A 85 -5.841 -1.904 6.264 1.00 0.00 N ATOM 1259 CA SER A 85 -5.374 -0.681 6.888 1.00 0.00 C ATOM 1260 C SER A 85 -3.927 -0.435 6.488 1.00 0.00 C ATOM 1261 O SER A 85 -3.075 -1.306 6.655 1.00 0.00 O ATOM 1262 CB SER A 85 -5.505 -0.799 8.406 1.00 0.00 C ATOM 1263 OG SER A 85 -6.657 -1.556 8.742 1.00 0.00 O ATOM 0 H SER A 85 -5.285 -2.727 6.497 1.00 0.00 H new ATOM 0 HA SER A 85 -5.978 0.163 6.554 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.615 -1.275 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.571 0.194 8.851 1.00 0.00 H new ATOM 0 HG SER A 85 -7.459 -1.011 8.601 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.650 0.739 5.951 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.304 1.056 5.505 1.00 0.00 C ATOM 1271 C LEU A 86 -1.798 2.343 6.140 1.00 0.00 C ATOM 1272 O LEU A 86 -2.583 3.229 6.489 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.254 1.197 3.976 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.143 0.232 3.180 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -4.531 0.823 2.974 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.499 -0.098 1.842 1.00 0.00 C ATOM 0 H LEU A 86 -4.333 1.484 5.813 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.661 0.232 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.536 2.217 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.222 1.059 3.652 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.248 -0.690 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.144 0.122 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.994 1.010 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.449 1.761 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.141 -0.783 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.365 0.818 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.529 -0.566 2.011 1.00 0.00 H new ATOM 1288 N THR A 87 -0.485 2.431 6.295 1.00 0.00 N ATOM 1289 CA THR A 87 0.143 3.614 6.852 1.00 0.00 C ATOM 1290 C THR A 87 1.005 4.278 5.788 1.00 0.00 C ATOM 1291 O THR A 87 2.003 3.710 5.336 1.00 0.00 O ATOM 1292 CB THR A 87 1.006 3.278 8.084 1.00 0.00 C ATOM 1293 OG1 THR A 87 1.800 2.110 7.836 1.00 0.00 O ATOM 1294 CG2 THR A 87 0.136 3.048 9.305 1.00 0.00 C ATOM 0 H THR A 87 0.168 1.690 6.040 1.00 0.00 H new ATOM 0 HA THR A 87 -0.646 4.293 7.175 1.00 0.00 H new ATOM 0 HB THR A 87 1.663 4.126 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.212 1.338 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 87 0.767 2.812 10.162 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.441 3.949 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.544 2.217 9.116 1.00 0.00 H new ATOM 1302 N VAL A 88 0.607 5.469 5.374 1.00 0.00 N ATOM 1303 CA VAL A 88 1.331 6.191 4.344 1.00 0.00 C ATOM 1304 C VAL A 88 2.217 7.272 4.935 1.00 0.00 C ATOM 1305 O VAL A 88 1.777 8.079 5.758 1.00 0.00 O ATOM 1306 CB VAL A 88 0.377 6.823 3.308 1.00 0.00 C ATOM 1307 CG1 VAL A 88 -0.179 5.761 2.380 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.758 7.568 3.992 1.00 0.00 C ATOM 0 H VAL A 88 -0.213 5.956 5.736 1.00 0.00 H new ATOM 0 HA VAL A 88 1.959 5.456 3.840 1.00 0.00 H new ATOM 0 HB VAL A 88 0.950 7.540 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.849 6.225 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.641 5.272 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.729 5.021 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.414 8.003 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.327 6.875 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.348 8.361 4.617 1.00 0.00 H new ATOM 1318 N ALA A 89 3.469 7.265 4.522 1.00 0.00 N ATOM 1319 CA ALA A 89 4.431 8.247 4.972 1.00 0.00 C ATOM 1320 C ALA A 89 4.527 9.361 3.947 1.00 0.00 C ATOM 1321 O ALA A 89 5.096 9.179 2.869 1.00 0.00 O ATOM 1322 CB ALA A 89 5.792 7.604 5.193 1.00 0.00 C ATOM 0 H ALA A 89 3.846 6.580 3.867 1.00 0.00 H new ATOM 0 HA ALA A 89 4.100 8.662 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.501 8.360 5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.707 6.823 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.145 7.168 4.258 1.00 0.00 H new ATOM 1328 N LYS A 90 3.938 10.494 4.268 1.00 0.00 N ATOM 1329 CA LYS A 90 3.941 11.640 3.380 1.00 0.00 C ATOM 1330 C LYS A 90 5.077 12.578 3.761 1.00 0.00 C ATOM 1331 O LYS A 90 5.323 12.743 4.973 1.00 0.00 O ATOM 1332 CB LYS A 90 2.596 12.370 3.458 1.00 0.00 C ATOM 1333 CG LYS A 90 1.395 11.430 3.448 1.00 0.00 C ATOM 1334 CD LYS A 90 0.085 12.167 3.684 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.300 13.028 2.492 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.638 12.215 1.293 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.723 13.140 2.851 1.00 0.00 O ATOM 0 H LYS A 90 3.445 10.647 5.148 1.00 0.00 H new ATOM 0 HA LYS A 90 4.091 11.301 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.570 12.971 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.516 13.059 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.350 10.911 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.525 10.669 4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.708 11.445 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.175 12.794 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.154 13.651 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.523 13.701 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.926 12.844 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.195 11.664 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.419 11.567 1.522 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.121 -4.016 -8.438 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.120 -3.058 -8.530 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.040 -3.232 -9.454 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.269 -2.505 -9.200 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.103 -2.783 -8.023 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.728 -3.818 -6.929 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.302 -4.769 -6.735 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.300 -5.521 -5.614 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.700 -5.377 -4.650 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.668 -6.139 -3.546 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.719 -4.452 -4.819 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.723 -3.685 -5.952 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.686 -2.601 -6.423 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.843 -2.168 -5.479 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.211 -2.328 -6.127 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.481 -1.633 -7.218 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -6.073 -3.075 -5.647 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.350 -2.071 -7.622 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -3.076 -1.013 -8.357 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.007 -4.359 -10.257 1.00 20.00 C HETATM 1372 C3 SUZ A 91 2.036 -5.342 -10.164 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.081 -5.172 -9.265 1.00 20.00 C HETATM 1374 S SUZ A 91 4.355 -6.347 -9.109 1.00 20.00 S HETATM 1375 O1 SUZ A 91 4.113 -7.286 -8.051 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.726 -5.330 -8.649 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.805 -2.762 -4.566 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.420 -0.155 -8.503 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.393 -1.396 -9.327 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -3.951 -0.707 -7.784 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.601 -1.752 -9.915 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.189 -4.496 -10.965 1.00 20.00 H new HETATM 0 H3 SUZ A 91 2.002 -6.227 -10.799 1.00 20.00 H new HETATM 0 H20 SUZ A 91 3.939 -3.882 -7.730 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.653 -5.890 -8.774 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.750 -4.443 -9.283 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.156 -2.171 -7.897 1.00 20.00 H new HETATM 0 H17 SUZ A 91 1.087 -4.893 -7.481 1.00 20.00 H new HETATM 0 H16 SUZ A 91 1.092 -6.253 -5.459 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.499 -4.338 -4.066 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.701 -1.127 -5.188 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.622 -5.028 -7.607 1.00 20.00 H new