USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= -0.0266 USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0.082 USER MOD Set 2.2: A 37 MET CE :methyl -178:sc= 0 (180deg=-0.00567) USER MOD Single : A 1 ASN : amide:sc= -0.0436 K(o=-0.044,f=-1.5) USER MOD Single : A 1 ASN N :NH3+ -145:sc= 1.24 (180deg=1.05) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 8 ASN : amide:sc= 1.04 K(o=1,f=-6.6!) USER MOD Single : A 9 MET CE :methyl -155:sc= -0.0159 (180deg=-0.697) USER MOD Single : A 12 HIS : no HE2:sc= 0.86 K(o=0.86,f=-2.9!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1 K(o=-1,f=-1.8) USER MOD Single : A 32 TYR OH : rot -93:sc= 0.115 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 150:sc= 0 (180deg=-0.469) USER MOD Single : A 56 GLN : amide:sc= -1.78! C(o=-1.8!,f=-2.5!) USER MOD Single : A 58 ASN : amide:sc= 0.393 K(o=0.39,f=-9.7!) USER MOD Single : A 61 ASN : amide:sc= 0.0205 K(o=0.021,f=-5.5!) USER MOD Single : A 64 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.8!) USER MOD Single : A 65 MET CE :methyl -106:sc= -0.0552 (180deg=-2.13!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.048 USER MOD Single : A 67 ASN : amide:sc= 0.802 K(o=0.8,f=-3.3!) USER MOD Single : A 79 SER OG : rot 87:sc= 1.28 USER MOD Single : A 80 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.27) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 77:sc= 0.217 USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= 1.3 (180deg=0.657) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.817 13.034 7.742 1.00 0.00 N ATOM 2 CA ASN A 1 3.506 12.858 8.403 1.00 0.00 C ATOM 3 C ASN A 1 2.949 11.474 8.096 1.00 0.00 C ATOM 4 O ASN A 1 2.496 11.206 6.982 1.00 0.00 O ATOM 5 CB ASN A 1 2.529 13.935 7.920 1.00 0.00 C ATOM 6 CG ASN A 1 1.225 13.949 8.698 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.045 13.198 9.653 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.301 14.808 8.290 1.00 0.00 N ATOM 0 H1 ASN A 1 5.435 13.612 8.346 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.256 12.104 7.587 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.683 13.510 6.827 1.00 0.00 H new ATOM 0 HA ASN A 1 3.637 12.955 9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.005 14.912 8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.313 13.774 6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.595 14.861 8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.487 15.416 7.492 1.00 0.00 H new ATOM 17 N ILE A 2 3.003 10.595 9.085 1.00 0.00 N ATOM 18 CA ILE A 2 2.504 9.239 8.932 1.00 0.00 C ATOM 19 C ILE A 2 1.007 9.188 9.211 1.00 0.00 C ATOM 20 O ILE A 2 0.546 9.638 10.263 1.00 0.00 O ATOM 21 CB ILE A 2 3.246 8.264 9.870 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.735 8.241 9.523 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.653 6.867 9.772 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.571 7.423 10.480 1.00 0.00 C ATOM 0 H ILE A 2 3.390 10.799 10.006 1.00 0.00 H new ATOM 0 HA ILE A 2 2.686 8.931 7.902 1.00 0.00 H new ATOM 0 HB ILE A 2 3.128 8.609 10.897 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.858 7.843 8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.111 9.264 9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.191 6.196 10.441 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.601 6.897 10.057 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.741 6.505 8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.615 7.454 10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.479 7.834 11.486 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.222 6.390 10.477 1.00 0.00 H new ATOM 36 N ILE A 3 0.252 8.653 8.261 1.00 0.00 N ATOM 37 CA ILE A 3 -1.194 8.556 8.392 1.00 0.00 C ATOM 38 C ILE A 3 -1.665 7.130 8.117 1.00 0.00 C ATOM 39 O ILE A 3 -1.233 6.502 7.151 1.00 0.00 O ATOM 40 CB ILE A 3 -1.909 9.525 7.421 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.382 10.953 7.605 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.419 9.484 7.626 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.050 11.970 6.707 1.00 0.00 C ATOM 0 H ILE A 3 0.620 8.278 7.387 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.448 8.831 9.416 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.696 9.204 6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.523 11.251 8.644 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.309 10.962 7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.899 10.174 6.932 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.784 8.473 7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.655 9.776 8.649 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.625 12.956 6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.887 11.697 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.120 11.991 6.914 1.00 0.00 H new ATOM 55 N THR A 4 -2.535 6.622 8.977 1.00 0.00 N ATOM 56 CA THR A 4 -3.071 5.278 8.824 1.00 0.00 C ATOM 57 C THR A 4 -4.517 5.344 8.340 1.00 0.00 C ATOM 58 O THR A 4 -5.367 5.946 8.995 1.00 0.00 O ATOM 59 CB THR A 4 -3.019 4.499 10.154 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.906 4.946 10.943 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.901 3.001 9.905 1.00 0.00 C ATOM 0 H THR A 4 -2.886 7.124 9.793 1.00 0.00 H new ATOM 0 HA THR A 4 -2.456 4.757 8.090 1.00 0.00 H new ATOM 0 HB THR A 4 -3.947 4.688 10.694 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.882 4.447 11.786 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.866 2.475 10.859 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.763 2.658 9.333 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.989 2.796 9.344 1.00 0.00 H new ATOM 69 N VAL A 5 -4.791 4.746 7.191 1.00 0.00 N ATOM 70 CA VAL A 5 -6.140 4.754 6.639 1.00 0.00 C ATOM 71 C VAL A 5 -6.729 3.346 6.619 1.00 0.00 C ATOM 72 O VAL A 5 -6.031 2.376 6.328 1.00 0.00 O ATOM 73 CB VAL A 5 -6.174 5.344 5.209 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.582 6.743 5.186 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.443 4.445 4.226 1.00 0.00 C ATOM 0 H VAL A 5 -4.103 4.251 6.624 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.742 5.390 7.288 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.218 5.405 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.617 7.136 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.157 7.392 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.547 6.706 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.484 4.886 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.403 4.340 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.917 3.464 4.208 1.00 0.00 H new ATOM 85 N THR A 6 -8.000 3.234 6.955 1.00 0.00 N ATOM 86 CA THR A 6 -8.672 1.947 6.950 1.00 0.00 C ATOM 87 C THR A 6 -9.620 1.865 5.761 1.00 0.00 C ATOM 88 O THR A 6 -10.665 2.518 5.736 1.00 0.00 O ATOM 89 CB THR A 6 -9.450 1.713 8.254 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.640 2.094 9.372 1.00 0.00 O ATOM 91 CG2 THR A 6 -9.850 0.254 8.390 1.00 0.00 C ATOM 0 H THR A 6 -8.589 4.018 7.235 1.00 0.00 H new ATOM 0 HA THR A 6 -7.912 1.170 6.868 1.00 0.00 H new ATOM 0 HB THR A 6 -10.355 2.320 8.230 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.138 1.946 10.203 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.400 0.113 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.482 -0.030 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.956 -0.369 8.398 1.00 0.00 H new ATOM 99 N LEU A 7 -9.245 1.070 4.775 1.00 0.00 N ATOM 100 CA LEU A 7 -10.041 0.923 3.570 1.00 0.00 C ATOM 101 C LEU A 7 -11.113 -0.145 3.735 1.00 0.00 C ATOM 102 O LEU A 7 -10.862 -1.215 4.291 1.00 0.00 O ATOM 103 CB LEU A 7 -9.135 0.576 2.388 1.00 0.00 C ATOM 104 CG LEU A 7 -7.969 1.537 2.161 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.079 1.026 1.045 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.472 2.938 1.844 1.00 0.00 C ATOM 0 H LEU A 7 -8.390 0.514 4.786 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.542 1.872 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.735 -0.427 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.741 0.544 1.483 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.384 1.589 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.252 1.719 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.686 0.045 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.659 0.945 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.623 3.603 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.083 2.910 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.072 3.306 2.676 1.00 0.00 H new ATOM 118 N ASN A 8 -12.305 0.160 3.245 1.00 0.00 N ATOM 119 CA ASN A 8 -13.430 -0.759 3.313 1.00 0.00 C ATOM 120 C ASN A 8 -13.400 -1.696 2.114 1.00 0.00 C ATOM 121 O ASN A 8 -13.573 -1.259 0.976 1.00 0.00 O ATOM 122 CB ASN A 8 -14.751 0.018 3.340 1.00 0.00 C ATOM 123 CG ASN A 8 -15.966 -0.885 3.233 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.388 -1.260 2.136 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.543 -1.236 4.369 1.00 0.00 N ATOM 0 H ASN A 8 -12.519 1.048 2.791 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.353 -1.345 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.811 0.592 4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.763 0.734 2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.367 -1.837 4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.164 -0.906 5.257 1.00 0.00 H new ATOM 132 N MET A 9 -13.189 -2.976 2.371 1.00 0.00 N ATOM 133 CA MET A 9 -13.120 -3.967 1.302 1.00 0.00 C ATOM 134 C MET A 9 -14.451 -4.685 1.120 1.00 0.00 C ATOM 135 O MET A 9 -14.519 -5.722 0.461 1.00 0.00 O ATOM 136 CB MET A 9 -12.007 -4.978 1.580 1.00 0.00 C ATOM 137 CG MET A 9 -10.617 -4.427 1.312 1.00 0.00 C ATOM 138 SD MET A 9 -10.401 -3.858 -0.385 1.00 0.00 S ATOM 139 CE MET A 9 -10.515 -5.408 -1.273 1.00 0.00 C ATOM 0 H MET A 9 -13.062 -3.356 3.309 1.00 0.00 H new ATOM 0 HA MET A 9 -12.895 -3.439 0.376 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.069 -5.300 2.620 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.166 -5.862 0.962 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.422 -3.600 1.994 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.878 -5.199 1.528 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.984 -5.324 -2.221 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.068 -6.203 -0.676 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.562 -5.642 -1.463 1.00 0.00 H new ATOM 149 N GLU A 10 -15.504 -4.140 1.715 1.00 0.00 N ATOM 150 CA GLU A 10 -16.832 -4.725 1.595 1.00 0.00 C ATOM 151 C GLU A 10 -17.500 -4.208 0.326 1.00 0.00 C ATOM 152 O GLU A 10 -18.040 -4.975 -0.474 1.00 0.00 O ATOM 153 CB GLU A 10 -17.686 -4.380 2.820 1.00 0.00 C ATOM 154 CG GLU A 10 -17.075 -4.820 4.140 1.00 0.00 C ATOM 155 CD GLU A 10 -16.661 -6.275 4.133 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.544 -7.152 4.215 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.449 -6.551 4.049 1.00 0.00 O ATOM 0 H GLU A 10 -15.464 -3.295 2.285 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.738 -5.810 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.847 -3.302 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.665 -4.846 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.206 -4.200 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.794 -4.655 4.942 1.00 0.00 H new ATOM 164 N ARG A 11 -17.448 -2.898 0.150 1.00 0.00 N ATOM 165 CA ARG A 11 -18.028 -2.256 -1.017 1.00 0.00 C ATOM 166 C ARG A 11 -16.986 -2.125 -2.129 1.00 0.00 C ATOM 167 O ARG A 11 -17.322 -2.063 -3.310 1.00 0.00 O ATOM 168 CB ARG A 11 -18.582 -0.877 -0.638 1.00 0.00 C ATOM 169 CG ARG A 11 -18.977 -0.025 -1.833 1.00 0.00 C ATOM 170 CD ARG A 11 -19.496 1.338 -1.417 1.00 0.00 C ATOM 171 NE ARG A 11 -19.604 2.245 -2.558 1.00 0.00 N ATOM 172 CZ ARG A 11 -19.855 3.548 -2.449 1.00 0.00 C ATOM 173 NH1 ARG A 11 -20.039 4.096 -1.257 1.00 0.00 N ATOM 174 NH2 ARG A 11 -19.915 4.306 -3.536 1.00 0.00 N ATOM 0 H ARG A 11 -17.006 -2.254 0.806 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.847 -2.874 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.452 -1.010 0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.832 -0.343 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.115 0.101 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.743 -0.543 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.473 1.228 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.829 1.769 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.480 1.857 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.989 3.519 -0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.231 5.095 -1.179 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.769 3.891 -4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.107 5.304 -3.452 1.00 0.00 H new ATOM 188 N HIS A 12 -15.717 -2.103 -1.746 1.00 0.00 N ATOM 189 CA HIS A 12 -14.638 -1.969 -2.714 1.00 0.00 C ATOM 190 C HIS A 12 -14.000 -3.321 -2.979 1.00 0.00 C ATOM 191 O HIS A 12 -13.846 -4.136 -2.071 1.00 0.00 O ATOM 192 CB HIS A 12 -13.582 -0.978 -2.214 1.00 0.00 C ATOM 193 CG HIS A 12 -14.126 0.387 -1.930 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.341 0.857 -0.653 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.506 1.383 -2.763 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.837 2.078 -0.712 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.947 2.421 -1.980 1.00 0.00 N ATOM 0 H HIS A 12 -15.410 -2.176 -0.776 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.058 -1.587 -3.644 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.126 -1.374 -1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.791 -0.897 -2.959 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -14.147 0.341 0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.469 1.365 -3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.107 2.692 0.134 1.00 0.00 H new ATOM 206 N HIS A 13 -13.653 -3.562 -4.231 1.00 0.00 N ATOM 207 CA HIS A 13 -13.030 -4.817 -4.623 1.00 0.00 C ATOM 208 C HIS A 13 -11.534 -4.636 -4.831 1.00 0.00 C ATOM 209 O HIS A 13 -10.759 -5.573 -4.650 1.00 0.00 O ATOM 210 CB HIS A 13 -13.679 -5.366 -5.895 1.00 0.00 C ATOM 211 CG HIS A 13 -14.982 -6.061 -5.643 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.246 -7.344 -6.071 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.101 -5.648 -5.000 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.466 -7.687 -5.704 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.007 -6.676 -5.052 1.00 0.00 N ATOM 0 H HIS A 13 -13.792 -2.903 -4.997 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.181 -5.535 -3.817 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.842 -4.546 -6.594 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.991 -6.062 -6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.252 -4.686 -4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.942 -8.636 -5.904 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.945 -6.661 -4.652 1.00 0.00 H new ATOM 224 N PHE A 14 -11.132 -3.431 -5.215 1.00 0.00 N ATOM 225 CA PHE A 14 -9.724 -3.132 -5.430 1.00 0.00 C ATOM 226 C PHE A 14 -9.355 -1.822 -4.749 1.00 0.00 C ATOM 227 O PHE A 14 -10.214 -0.973 -4.508 1.00 0.00 O ATOM 228 CB PHE A 14 -9.376 -3.096 -6.928 1.00 0.00 C ATOM 229 CG PHE A 14 -10.125 -2.076 -7.746 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.412 -2.330 -8.197 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.528 -0.871 -8.086 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.089 -1.402 -8.966 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.199 0.058 -8.859 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.482 -0.206 -9.297 1.00 0.00 C ATOM 0 H PHE A 14 -11.761 -2.646 -5.384 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.135 -3.933 -4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.308 -2.904 -7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.564 -4.083 -7.350 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.891 -3.264 -7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.527 -0.656 -7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.092 -1.612 -9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.720 0.990 -9.120 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.009 0.521 -9.897 1.00 0.00 H new ATOM 244 N LEU A 15 -8.079 -1.665 -4.436 1.00 0.00 N ATOM 245 CA LEU A 15 -7.604 -0.467 -3.761 1.00 0.00 C ATOM 246 C LEU A 15 -7.405 0.674 -4.751 1.00 0.00 C ATOM 247 O LEU A 15 -7.681 1.833 -4.439 1.00 0.00 O ATOM 248 CB LEU A 15 -6.296 -0.761 -3.022 1.00 0.00 C ATOM 249 CG LEU A 15 -6.285 -2.041 -2.180 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.921 -2.236 -1.530 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.384 -1.999 -1.127 1.00 0.00 C ATOM 0 H LEU A 15 -7.353 -2.352 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.359 -0.161 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.491 -0.823 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.070 0.083 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.477 -2.890 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.929 -3.149 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.157 -2.313 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.700 -1.385 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.360 -2.917 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.226 -1.143 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.354 -1.907 -1.616 1.00 0.00 H new ATOM 263 N GLY A 16 -6.937 0.333 -5.946 1.00 0.00 N ATOM 264 CA GLY A 16 -6.699 1.329 -6.968 1.00 0.00 C ATOM 265 C GLY A 16 -5.441 2.136 -6.715 1.00 0.00 C ATOM 266 O GLY A 16 -5.474 3.358 -6.771 1.00 0.00 O ATOM 0 H GLY A 16 -6.717 -0.623 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.622 0.838 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.554 2.003 -7.019 1.00 0.00 H new ATOM 270 N ILE A 17 -4.334 1.455 -6.438 1.00 0.00 N ATOM 271 CA ILE A 17 -3.057 2.133 -6.172 1.00 0.00 C ATOM 272 C ILE A 17 -1.889 1.284 -6.636 1.00 0.00 C ATOM 273 O ILE A 17 -1.537 0.302 -5.986 1.00 0.00 O ATOM 274 CB ILE A 17 -2.853 2.453 -4.673 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.440 1.344 -3.793 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.449 3.808 -4.322 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.830 1.285 -2.409 1.00 0.00 C ATOM 0 H ILE A 17 -4.289 0.437 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.095 3.070 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.782 2.500 -4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.516 1.495 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.294 0.383 -4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.293 4.011 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.964 4.583 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.518 3.802 -4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.293 0.477 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.758 1.103 -2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.999 2.232 -1.896 1.00 0.00 H new ATOM 289 N SER A 18 -1.293 1.645 -7.762 1.00 0.00 N ATOM 290 CA SER A 18 -0.179 0.874 -8.287 1.00 0.00 C ATOM 291 C SER A 18 1.079 1.105 -7.452 1.00 0.00 C ATOM 292 O SER A 18 1.561 2.228 -7.317 1.00 0.00 O ATOM 293 CB SER A 18 0.049 1.192 -9.769 1.00 0.00 C ATOM 294 OG SER A 18 0.341 2.570 -9.970 1.00 0.00 O ATOM 0 H SER A 18 -1.558 2.455 -8.322 1.00 0.00 H new ATOM 0 HA SER A 18 -0.424 -0.186 -8.217 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.871 0.586 -10.149 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.838 0.920 -10.341 1.00 0.00 H new ATOM 0 HG SER A 18 0.483 2.738 -10.925 1.00 0.00 H new ATOM 300 N ILE A 19 1.577 0.028 -6.858 1.00 0.00 N ATOM 301 CA ILE A 19 2.768 0.087 -6.015 1.00 0.00 C ATOM 302 C ILE A 19 4.039 0.184 -6.857 1.00 0.00 C ATOM 303 O ILE A 19 4.248 -0.610 -7.773 1.00 0.00 O ATOM 304 CB ILE A 19 2.876 -1.154 -5.101 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.495 -1.571 -4.578 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.820 -0.869 -3.942 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.808 -0.517 -3.732 1.00 0.00 C ATOM 0 H ILE A 19 1.172 -0.904 -6.945 1.00 0.00 H new ATOM 0 HA ILE A 19 2.669 0.981 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 19 3.278 -1.980 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.855 -1.814 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.602 -2.482 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.889 -1.750 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.809 -0.624 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.439 -0.029 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.162 -0.890 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.424 -0.290 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.667 0.388 -4.323 1.00 0.00 H new ATOM 319 N VAL A 20 4.876 1.162 -6.552 1.00 0.00 N ATOM 320 CA VAL A 20 6.126 1.348 -7.271 1.00 0.00 C ATOM 321 C VAL A 20 7.311 1.189 -6.323 1.00 0.00 C ATOM 322 O VAL A 20 7.458 1.956 -5.369 1.00 0.00 O ATOM 323 CB VAL A 20 6.195 2.740 -7.935 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.408 2.842 -8.846 1.00 0.00 C ATOM 325 CG2 VAL A 20 4.919 3.035 -8.709 1.00 0.00 C ATOM 0 H VAL A 20 4.712 1.841 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 20 6.170 0.587 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 20 6.295 3.486 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.437 3.831 -9.304 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.315 2.685 -8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.342 2.083 -9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.991 4.021 -9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.782 2.283 -9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.068 3.013 -8.029 1.00 0.00 H new ATOM 335 N GLY A 21 8.145 0.191 -6.579 1.00 0.00 N ATOM 336 CA GLY A 21 9.303 -0.039 -5.737 1.00 0.00 C ATOM 337 C GLY A 21 10.495 0.784 -6.180 1.00 0.00 C ATOM 338 O GLY A 21 10.847 0.794 -7.360 1.00 0.00 O ATOM 0 H GLY A 21 8.041 -0.464 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.056 0.207 -4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.564 -1.097 -5.759 1.00 0.00 H new ATOM 342 N GLN A 22 11.110 1.485 -5.240 1.00 0.00 N ATOM 343 CA GLN A 22 12.261 2.321 -5.546 1.00 0.00 C ATOM 344 C GLN A 22 13.550 1.516 -5.443 1.00 0.00 C ATOM 345 O GLN A 22 13.918 1.050 -4.366 1.00 0.00 O ATOM 346 CB GLN A 22 12.308 3.523 -4.603 1.00 0.00 C ATOM 347 CG GLN A 22 13.294 4.593 -5.038 1.00 0.00 C ATOM 348 CD GLN A 22 13.155 5.879 -4.246 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.357 6.971 -4.779 1.00 0.00 O ATOM 350 NE2 GLN A 22 12.812 5.767 -2.971 1.00 0.00 N ATOM 0 H GLN A 22 10.831 1.492 -4.259 1.00 0.00 H new ATOM 0 HA GLN A 22 12.163 2.683 -6.569 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.313 3.962 -4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.573 3.180 -3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.309 4.212 -4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.148 4.806 -6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.653 4.845 -2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.707 6.603 -2.396 1.00 0.00 H new ATOM 359 N SER A 23 14.229 1.363 -6.568 1.00 0.00 N ATOM 360 CA SER A 23 15.470 0.606 -6.624 1.00 0.00 C ATOM 361 C SER A 23 16.677 1.542 -6.732 1.00 0.00 C ATOM 362 O SER A 23 16.633 2.558 -7.435 1.00 0.00 O ATOM 363 CB SER A 23 15.429 -0.348 -7.821 1.00 0.00 C ATOM 364 OG SER A 23 14.106 -0.810 -8.062 1.00 0.00 O ATOM 0 H SER A 23 13.939 1.757 -7.463 1.00 0.00 H new ATOM 0 HA SER A 23 15.574 0.031 -5.704 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.807 0.160 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.086 -1.198 -7.636 1.00 0.00 H new ATOM 0 HG SER A 23 14.106 -1.416 -8.832 1.00 0.00 H new ATOM 370 N ASN A 24 17.751 1.195 -6.034 1.00 0.00 N ATOM 371 CA ASN A 24 18.975 1.990 -6.049 1.00 0.00 C ATOM 372 C ASN A 24 20.183 1.083 -5.827 1.00 0.00 C ATOM 373 O ASN A 24 20.066 -0.141 -5.927 1.00 0.00 O ATOM 374 CB ASN A 24 18.929 3.077 -4.972 1.00 0.00 C ATOM 375 CG ASN A 24 19.723 4.312 -5.365 1.00 0.00 C ATOM 376 OD1 ASN A 24 19.712 4.730 -6.520 1.00 0.00 O ATOM 377 ND2 ASN A 24 20.437 4.888 -4.411 1.00 0.00 N ATOM 0 H ASN A 24 17.800 0.363 -5.446 1.00 0.00 H new ATOM 0 HA ASN A 24 19.063 2.475 -7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.892 3.358 -4.787 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.323 2.677 -4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 24 21.004 5.709 -4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 24 20.420 4.511 -3.463 1.00 0.00 H new ATOM 384 N ASP A 25 21.336 1.674 -5.530 1.00 0.00 N ATOM 385 CA ASP A 25 22.553 0.902 -5.294 1.00 0.00 C ATOM 386 C ASP A 25 22.384 -0.030 -4.097 1.00 0.00 C ATOM 387 O ASP A 25 22.764 -1.201 -4.156 1.00 0.00 O ATOM 388 CB ASP A 25 23.750 1.829 -5.074 1.00 0.00 C ATOM 389 CG ASP A 25 24.360 2.310 -6.376 1.00 0.00 C ATOM 390 OD1 ASP A 25 25.009 1.501 -7.071 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.189 3.501 -6.716 1.00 0.00 O ATOM 0 H ASP A 25 21.454 2.684 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 25 22.740 0.296 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.435 2.690 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.509 1.305 -4.493 1.00 0.00 H new ATOM 396 N ARG A 26 21.805 0.484 -3.016 1.00 0.00 N ATOM 397 CA ARG A 26 21.577 -0.322 -1.820 1.00 0.00 C ATOM 398 C ARG A 26 20.400 -1.272 -2.035 1.00 0.00 C ATOM 399 O ARG A 26 20.583 -2.485 -2.103 1.00 0.00 O ATOM 400 CB ARG A 26 21.328 0.567 -0.601 1.00 0.00 C ATOM 401 CG ARG A 26 22.559 1.322 -0.131 1.00 0.00 C ATOM 402 CD ARG A 26 23.543 0.405 0.572 1.00 0.00 C ATOM 403 NE ARG A 26 24.748 1.118 0.990 1.00 0.00 N ATOM 404 CZ ARG A 26 24.992 1.503 2.245 1.00 0.00 C ATOM 405 NH1 ARG A 26 24.098 1.278 3.205 1.00 0.00 N ATOM 406 NH2 ARG A 26 26.123 2.130 2.534 1.00 0.00 N ATOM 0 H ARG A 26 21.486 1.450 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 26 22.474 -0.912 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.543 1.284 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 26 20.957 -0.050 0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 26 23.046 1.793 -0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.259 2.122 0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.064 -0.041 1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.818 -0.413 -0.095 1.00 0.00 H new ATOM 0 HE ARG A 26 25.446 1.335 0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.220 0.809 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.291 1.575 4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.805 2.317 1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.312 2.425 3.492 1.00 0.00 H new ATOM 420 N GLY A 27 19.195 -0.723 -2.152 1.00 0.00 N ATOM 421 CA GLY A 27 18.028 -1.558 -2.377 1.00 0.00 C ATOM 422 C GLY A 27 16.864 -1.211 -1.473 1.00 0.00 C ATOM 423 O GLY A 27 15.711 -1.499 -1.796 1.00 0.00 O ATOM 0 H GLY A 27 19.006 0.278 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.714 -1.461 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.301 -2.602 -2.223 1.00 0.00 H new ATOM 427 N ASP A 28 17.154 -0.578 -0.345 1.00 0.00 N ATOM 428 CA ASP A 28 16.114 -0.201 0.608 1.00 0.00 C ATOM 429 C ASP A 28 15.457 1.119 0.202 1.00 0.00 C ATOM 430 O ASP A 28 15.411 2.077 0.974 1.00 0.00 O ATOM 431 CB ASP A 28 16.683 -0.109 2.033 1.00 0.00 C ATOM 432 CG ASP A 28 17.889 0.804 2.140 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.983 0.403 1.687 1.00 0.00 O ATOM 434 OD2 ASP A 28 17.752 1.920 2.680 1.00 0.00 O ATOM 0 H ASP A 28 18.099 -0.314 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 28 15.350 -0.979 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.904 0.250 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.961 -1.107 2.371 1.00 0.00 H new ATOM 439 N GLY A 29 14.943 1.154 -1.020 1.00 0.00 N ATOM 440 CA GLY A 29 14.293 2.345 -1.524 1.00 0.00 C ATOM 441 C GLY A 29 12.862 2.458 -1.049 1.00 0.00 C ATOM 442 O GLY A 29 12.308 3.557 -0.987 1.00 0.00 O ATOM 0 H GLY A 29 14.966 0.372 -1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.851 3.225 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.313 2.334 -2.614 1.00 0.00 H new ATOM 446 N GLY A 30 12.257 1.322 -0.730 1.00 0.00 N ATOM 447 CA GLY A 30 10.891 1.323 -0.254 1.00 0.00 C ATOM 448 C GLY A 30 9.871 1.343 -1.380 1.00 0.00 C ATOM 449 O GLY A 30 10.207 1.614 -2.537 1.00 0.00 O ATOM 0 H GLY A 30 12.689 0.400 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.726 0.440 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.735 2.192 0.386 1.00 0.00 H new ATOM 453 N ILE A 31 8.621 1.055 -1.038 1.00 0.00 N ATOM 454 CA ILE A 31 7.538 1.047 -2.012 1.00 0.00 C ATOM 455 C ILE A 31 6.680 2.300 -1.868 1.00 0.00 C ATOM 456 O ILE A 31 6.289 2.680 -0.760 1.00 0.00 O ATOM 457 CB ILE A 31 6.647 -0.208 -1.874 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.264 -0.448 -0.408 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.357 -1.428 -2.448 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.164 -1.471 -0.229 1.00 0.00 C ATOM 0 H ILE A 31 8.332 0.823 -0.088 1.00 0.00 H new ATOM 0 HA ILE A 31 7.997 1.030 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 31 5.731 -0.040 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.147 -0.776 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.946 0.496 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.717 -2.304 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.573 -1.260 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.290 -1.594 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.946 -1.589 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.267 -1.135 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.486 -2.427 -0.642 1.00 0.00 H new ATOM 472 N TYR A 32 6.399 2.944 -2.992 1.00 0.00 N ATOM 473 CA TYR A 32 5.606 4.163 -3.004 1.00 0.00 C ATOM 474 C TYR A 32 4.358 3.998 -3.865 1.00 0.00 C ATOM 475 O TYR A 32 4.275 3.092 -4.693 1.00 0.00 O ATOM 476 CB TYR A 32 6.437 5.335 -3.539 1.00 0.00 C ATOM 477 CG TYR A 32 7.534 5.804 -2.603 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.722 5.094 -2.477 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.378 6.960 -1.846 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.723 5.521 -1.625 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.376 7.395 -0.993 1.00 0.00 C ATOM 482 CZ TYR A 32 9.546 6.670 -0.885 1.00 0.00 C ATOM 483 OH TYR A 32 10.543 7.098 -0.035 1.00 0.00 O ATOM 0 H TYR A 32 6.712 2.639 -3.914 1.00 0.00 H new ATOM 0 HA TYR A 32 5.301 4.369 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.886 5.043 -4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.771 6.172 -3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.866 4.193 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.463 7.527 -1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.640 4.957 -1.540 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.241 8.297 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 32 10.379 6.747 0.865 1.00 0.00 H new ATOM 493 N ILE A 33 3.395 4.879 -3.653 1.00 0.00 N ATOM 494 CA ILE A 33 2.151 4.867 -4.407 1.00 0.00 C ATOM 495 C ILE A 33 2.347 5.568 -5.747 1.00 0.00 C ATOM 496 O ILE A 33 2.673 6.758 -5.786 1.00 0.00 O ATOM 497 CB ILE A 33 1.020 5.574 -3.626 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.808 4.911 -2.259 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.277 5.575 -4.427 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.348 3.473 -2.338 1.00 0.00 C ATOM 0 H ILE A 33 3.452 5.621 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 33 1.868 3.827 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 33 1.320 6.609 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.741 4.953 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.072 5.487 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.057 6.078 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.122 6.100 -5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.581 4.548 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.221 3.076 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.602 3.424 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.093 2.881 -2.870 1.00 0.00 H new ATOM 512 N GLY A 34 2.170 4.830 -6.832 1.00 0.00 N ATOM 513 CA GLY A 34 2.334 5.396 -8.155 1.00 0.00 C ATOM 514 C GLY A 34 1.143 6.225 -8.585 1.00 0.00 C ATOM 515 O GLY A 34 1.205 7.453 -8.602 1.00 0.00 O ATOM 0 H GLY A 34 1.914 3.843 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.230 6.017 -8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.490 4.591 -8.874 1.00 0.00 H new ATOM 519 N SER A 35 0.060 5.559 -8.949 1.00 0.00 N ATOM 520 CA SER A 35 -1.144 6.251 -9.380 1.00 0.00 C ATOM 521 C SER A 35 -2.386 5.636 -8.744 1.00 0.00 C ATOM 522 O SER A 35 -2.415 4.440 -8.441 1.00 0.00 O ATOM 523 CB SER A 35 -1.256 6.213 -10.905 1.00 0.00 C ATOM 524 OG SER A 35 -0.067 6.695 -11.512 1.00 0.00 O ATOM 0 H SER A 35 -0.011 4.541 -8.955 1.00 0.00 H new ATOM 0 HA SER A 35 -1.075 7.289 -9.054 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.449 5.192 -11.234 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.104 6.817 -11.227 1.00 0.00 H new ATOM 0 HG SER A 35 -0.160 6.660 -12.487 1.00 0.00 H new ATOM 530 N ILE A 36 -3.402 6.463 -8.533 1.00 0.00 N ATOM 531 CA ILE A 36 -4.649 6.008 -7.942 1.00 0.00 C ATOM 532 C ILE A 36 -5.693 5.788 -9.030 1.00 0.00 C ATOM 533 O ILE A 36 -5.920 6.657 -9.874 1.00 0.00 O ATOM 534 CB ILE A 36 -5.192 7.011 -6.897 1.00 0.00 C ATOM 535 CG1 ILE A 36 -4.150 7.255 -5.804 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.489 6.495 -6.285 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.549 8.330 -4.819 1.00 0.00 C ATOM 0 H ILE A 36 -3.384 7.456 -8.764 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.444 5.068 -7.430 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.399 7.956 -7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.977 6.324 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.205 7.533 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.857 7.213 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.234 6.363 -7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.305 5.539 -5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.764 8.449 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.694 9.272 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.478 8.045 -4.326 1.00 0.00 H new ATOM 549 N MET A 37 -6.310 4.619 -9.018 1.00 0.00 N ATOM 550 CA MET A 37 -7.324 4.277 -10.003 1.00 0.00 C ATOM 551 C MET A 37 -8.712 4.592 -9.462 1.00 0.00 C ATOM 552 O MET A 37 -9.101 4.090 -8.402 1.00 0.00 O ATOM 553 CB MET A 37 -7.234 2.793 -10.375 1.00 0.00 C ATOM 554 CG MET A 37 -5.808 2.267 -10.470 1.00 0.00 C ATOM 555 SD MET A 37 -4.788 3.205 -11.626 1.00 0.00 S ATOM 556 CE MET A 37 -3.167 2.522 -11.273 1.00 0.00 C ATOM 0 H MET A 37 -6.126 3.886 -8.333 1.00 0.00 H new ATOM 0 HA MET A 37 -7.148 4.873 -10.898 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.778 2.209 -9.633 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.733 2.637 -11.331 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.349 2.296 -9.482 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.832 1.222 -10.780 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.419 3.026 -11.884 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.932 2.668 -10.219 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.164 1.456 -11.501 1.00 0.00 H new ATOM 566 N LYS A 38 -9.452 5.419 -10.191 1.00 0.00 N ATOM 567 CA LYS A 38 -10.794 5.809 -9.788 1.00 0.00 C ATOM 568 C LYS A 38 -11.696 4.586 -9.681 1.00 0.00 C ATOM 569 O LYS A 38 -11.815 3.803 -10.628 1.00 0.00 O ATOM 570 CB LYS A 38 -11.374 6.812 -10.784 1.00 0.00 C ATOM 571 CG LYS A 38 -12.717 7.384 -10.367 1.00 0.00 C ATOM 572 CD LYS A 38 -12.605 8.183 -9.080 1.00 0.00 C ATOM 573 CE LYS A 38 -13.901 8.909 -8.754 1.00 0.00 C ATOM 574 NZ LYS A 38 -15.000 7.970 -8.404 1.00 0.00 N ATOM 0 H LYS A 38 -9.141 5.834 -11.069 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.738 6.282 -8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.666 7.630 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.482 6.326 -11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.104 8.023 -11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.433 6.573 -10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.345 7.515 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.795 8.907 -9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.732 9.594 -7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.201 9.514 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.863 8.510 -8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.181 7.333 -9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.726 7.410 -7.571 1.00 0.00 H new ATOM 588 N GLY A 39 -12.317 4.430 -8.521 1.00 0.00 N ATOM 589 CA GLY A 39 -13.189 3.301 -8.283 1.00 0.00 C ATOM 590 C GLY A 39 -12.627 2.377 -7.221 1.00 0.00 C ATOM 591 O GLY A 39 -13.279 1.418 -6.807 1.00 0.00 O ATOM 0 H GLY A 39 -12.230 5.073 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.171 3.658 -7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.330 2.747 -9.211 1.00 0.00 H new ATOM 595 N GLY A 40 -11.406 2.669 -6.791 1.00 0.00 N ATOM 596 CA GLY A 40 -10.756 1.868 -5.776 1.00 0.00 C ATOM 597 C GLY A 40 -11.036 2.371 -4.374 1.00 0.00 C ATOM 598 O GLY A 40 -11.567 3.470 -4.195 1.00 0.00 O ATOM 0 H GLY A 40 -10.851 3.454 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.093 0.835 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.680 1.868 -5.951 1.00 0.00 H new ATOM 602 N ALA A 41 -10.668 1.571 -3.382 1.00 0.00 N ATOM 603 CA ALA A 41 -10.878 1.919 -1.981 1.00 0.00 C ATOM 604 C ALA A 41 -10.100 3.168 -1.583 1.00 0.00 C ATOM 605 O ALA A 41 -10.569 3.967 -0.773 1.00 0.00 O ATOM 606 CB ALA A 41 -10.496 0.748 -1.090 1.00 0.00 C ATOM 0 H ALA A 41 -10.218 0.667 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.937 2.141 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.656 1.018 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.112 -0.116 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.445 0.501 -1.244 1.00 0.00 H new ATOM 612 N VAL A 42 -8.920 3.340 -2.162 1.00 0.00 N ATOM 613 CA VAL A 42 -8.083 4.495 -1.853 1.00 0.00 C ATOM 614 C VAL A 42 -8.695 5.778 -2.408 1.00 0.00 C ATOM 615 O VAL A 42 -8.648 6.830 -1.766 1.00 0.00 O ATOM 616 CB VAL A 42 -6.653 4.327 -2.407 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.813 5.567 -2.138 1.00 0.00 C ATOM 618 CG2 VAL A 42 -5.992 3.101 -1.803 1.00 0.00 C ATOM 0 H VAL A 42 -8.520 2.698 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.028 4.564 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.723 4.193 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.810 5.421 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.274 6.430 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.753 5.739 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.984 2.996 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.942 3.211 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.575 2.214 -2.051 1.00 0.00 H new ATOM 628 N ALA A 43 -9.297 5.680 -3.587 1.00 0.00 N ATOM 629 CA ALA A 43 -9.923 6.833 -4.222 1.00 0.00 C ATOM 630 C ALA A 43 -11.151 7.281 -3.430 1.00 0.00 C ATOM 631 O ALA A 43 -11.658 8.390 -3.609 1.00 0.00 O ATOM 632 CB ALA A 43 -10.303 6.498 -5.658 1.00 0.00 C ATOM 0 H ALA A 43 -9.365 4.815 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.208 7.656 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.770 7.366 -6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.408 6.224 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.004 5.663 -5.664 1.00 0.00 H new ATOM 638 N ALA A 44 -11.623 6.409 -2.548 1.00 0.00 N ATOM 639 CA ALA A 44 -12.779 6.707 -1.722 1.00 0.00 C ATOM 640 C ALA A 44 -12.354 7.411 -0.437 1.00 0.00 C ATOM 641 O ALA A 44 -13.184 7.959 0.290 1.00 0.00 O ATOM 642 CB ALA A 44 -13.544 5.433 -1.401 1.00 0.00 C ATOM 0 H ALA A 44 -11.219 5.486 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.436 7.375 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.408 5.674 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.881 4.968 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.893 4.743 -0.864 1.00 0.00 H new ATOM 648 N ASP A 45 -11.057 7.395 -0.164 1.00 0.00 N ATOM 649 CA ASP A 45 -10.525 8.033 1.031 1.00 0.00 C ATOM 650 C ASP A 45 -10.048 9.442 0.700 1.00 0.00 C ATOM 651 O ASP A 45 -10.699 10.426 1.051 1.00 0.00 O ATOM 652 CB ASP A 45 -9.384 7.210 1.630 1.00 0.00 C ATOM 653 CG ASP A 45 -8.984 7.711 3.003 1.00 0.00 C ATOM 654 OD1 ASP A 45 -9.554 7.234 4.007 1.00 0.00 O ATOM 655 OD2 ASP A 45 -8.105 8.591 3.085 1.00 0.00 O ATOM 0 H ASP A 45 -10.355 6.948 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.321 8.093 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.688 6.165 1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.521 7.248 0.965 1.00 0.00 H new ATOM 660 N GLY A 46 -8.913 9.539 0.018 1.00 0.00 N ATOM 661 CA GLY A 46 -8.396 10.840 -0.370 1.00 0.00 C ATOM 662 C GLY A 46 -7.114 11.232 0.345 1.00 0.00 C ATOM 663 O GLY A 46 -6.342 12.047 -0.167 1.00 0.00 O ATOM 0 H GLY A 46 -8.343 8.745 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.216 10.843 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.156 11.596 -0.172 1.00 0.00 H new ATOM 667 N ARG A 47 -6.866 10.655 1.518 1.00 0.00 N ATOM 668 CA ARG A 47 -5.664 10.987 2.279 1.00 0.00 C ATOM 669 C ARG A 47 -4.408 10.488 1.571 1.00 0.00 C ATOM 670 O ARG A 47 -3.353 11.118 1.646 1.00 0.00 O ATOM 671 CB ARG A 47 -5.743 10.427 3.698 1.00 0.00 C ATOM 672 CG ARG A 47 -6.619 11.259 4.616 1.00 0.00 C ATOM 673 CD ARG A 47 -6.877 10.558 5.936 1.00 0.00 C ATOM 674 NE ARG A 47 -7.697 9.359 5.770 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.214 8.661 6.779 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.006 9.035 8.036 1.00 0.00 N ATOM 677 NH2 ARG A 47 -8.947 7.589 6.529 1.00 0.00 N ATOM 0 H ARG A 47 -7.473 9.963 1.958 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.603 12.073 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.130 9.409 3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.738 10.370 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.140 12.220 4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.569 11.466 4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.926 10.286 6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.375 11.245 6.620 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.885 9.037 4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.446 9.864 8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.406 8.494 8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.115 7.299 5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.345 7.052 7.300 1.00 0.00 H new ATOM 691 N ILE A 48 -4.520 9.361 0.881 1.00 0.00 N ATOM 692 CA ILE A 48 -3.388 8.811 0.147 1.00 0.00 C ATOM 693 C ILE A 48 -3.312 9.454 -1.233 1.00 0.00 C ATOM 694 O ILE A 48 -4.334 9.621 -1.902 1.00 0.00 O ATOM 695 CB ILE A 48 -3.486 7.280 -0.015 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.634 6.600 1.349 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.265 6.742 -0.749 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.713 5.089 1.262 1.00 0.00 C ATOM 0 H ILE A 48 -5.377 8.813 0.814 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.489 9.031 0.723 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.373 7.055 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.788 6.877 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.532 6.976 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.351 5.661 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.204 7.199 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.365 6.981 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.817 4.672 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.575 4.804 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.804 4.703 0.801 1.00 0.00 H new ATOM 710 N GLU A 49 -2.110 9.827 -1.643 1.00 0.00 N ATOM 711 CA GLU A 49 -1.902 10.452 -2.938 1.00 0.00 C ATOM 712 C GLU A 49 -0.608 9.938 -3.567 1.00 0.00 C ATOM 713 O GLU A 49 0.235 9.359 -2.874 1.00 0.00 O ATOM 714 CB GLU A 49 -1.857 11.978 -2.783 1.00 0.00 C ATOM 715 CG GLU A 49 -0.640 12.487 -2.031 1.00 0.00 C ATOM 716 CD GLU A 49 -0.827 13.899 -1.526 1.00 0.00 C ATOM 717 OE1 GLU A 49 -1.340 14.064 -0.400 1.00 0.00 O ATOM 718 OE2 GLU A 49 -0.466 14.849 -2.252 1.00 0.00 O ATOM 0 H GLU A 49 -1.259 9.706 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.732 10.194 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.877 12.434 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.757 12.307 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.434 11.827 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.231 12.450 -2.686 1.00 0.00 H new ATOM 725 N PRO A 50 -0.452 10.098 -4.893 1.00 0.00 N ATOM 726 CA PRO A 50 0.754 9.662 -5.601 1.00 0.00 C ATOM 727 C PRO A 50 2.026 10.198 -4.950 1.00 0.00 C ATOM 728 O PRO A 50 2.215 11.413 -4.829 1.00 0.00 O ATOM 729 CB PRO A 50 0.575 10.255 -6.999 1.00 0.00 C ATOM 730 CG PRO A 50 -0.897 10.371 -7.173 1.00 0.00 C ATOM 731 CD PRO A 50 -1.448 10.686 -5.813 1.00 0.00 C ATOM 0 HA PRO A 50 0.866 8.578 -5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.062 11.227 -7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.015 9.612 -7.761 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.145 11.157 -7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.319 9.444 -7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.550 11.760 -5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.436 10.248 -5.669 1.00 0.00 H new ATOM 739 N GLY A 51 2.889 9.288 -4.523 1.00 0.00 N ATOM 740 CA GLY A 51 4.123 9.684 -3.884 1.00 0.00 C ATOM 741 C GLY A 51 4.185 9.268 -2.430 1.00 0.00 C ATOM 742 O GLY A 51 5.219 9.421 -1.782 1.00 0.00 O ATOM 0 H GLY A 51 2.755 8.281 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.963 9.243 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.233 10.766 -3.953 1.00 0.00 H new ATOM 746 N ASP A 52 3.073 8.763 -1.906 1.00 0.00 N ATOM 747 CA ASP A 52 3.024 8.315 -0.518 1.00 0.00 C ATOM 748 C ASP A 52 3.794 7.008 -0.360 1.00 0.00 C ATOM 749 O ASP A 52 3.756 6.147 -1.240 1.00 0.00 O ATOM 750 CB ASP A 52 1.577 8.130 -0.052 1.00 0.00 C ATOM 751 CG ASP A 52 0.885 9.442 0.280 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.578 10.466 0.451 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.359 9.458 0.368 1.00 0.00 O ATOM 0 H ASP A 52 2.198 8.654 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 52 3.488 9.081 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.014 7.616 -0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.564 7.487 0.828 1.00 0.00 H new ATOM 758 N MET A 53 4.497 6.869 0.751 1.00 0.00 N ATOM 759 CA MET A 53 5.286 5.671 1.014 1.00 0.00 C ATOM 760 C MET A 53 4.532 4.713 1.932 1.00 0.00 C ATOM 761 O MET A 53 3.965 5.131 2.936 1.00 0.00 O ATOM 762 CB MET A 53 6.621 6.060 1.655 1.00 0.00 C ATOM 763 CG MET A 53 7.541 4.884 1.936 1.00 0.00 C ATOM 764 SD MET A 53 9.089 5.396 2.709 1.00 0.00 S ATOM 765 CE MET A 53 9.877 3.810 2.968 1.00 0.00 C ATOM 0 H MET A 53 4.539 7.572 1.489 1.00 0.00 H new ATOM 0 HA MET A 53 5.470 5.166 0.066 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.136 6.761 0.999 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.424 6.584 2.590 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.031 4.173 2.586 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.758 4.364 1.003 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.959 3.930 2.921 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.597 3.420 3.947 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.555 3.113 2.194 1.00 0.00 H new ATOM 775 N LEU A 54 4.529 3.432 1.589 1.00 0.00 N ATOM 776 CA LEU A 54 3.849 2.429 2.399 1.00 0.00 C ATOM 777 C LEU A 54 4.795 1.876 3.454 1.00 0.00 C ATOM 778 O LEU A 54 5.852 1.334 3.129 1.00 0.00 O ATOM 779 CB LEU A 54 3.328 1.296 1.515 1.00 0.00 C ATOM 780 CG LEU A 54 1.988 1.566 0.828 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.682 0.472 -0.183 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.867 1.665 1.854 1.00 0.00 C ATOM 0 H LEU A 54 4.989 3.063 0.757 1.00 0.00 H new ATOM 0 HA LEU A 54 3.002 2.901 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.074 1.083 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.231 0.397 2.124 1.00 0.00 H new ATOM 0 HG LEU A 54 2.058 2.519 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.726 0.678 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.468 0.443 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.632 -0.490 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.077 1.857 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.796 0.729 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.078 2.480 2.546 1.00 0.00 H new ATOM 794 N LEU A 55 4.418 2.031 4.715 1.00 0.00 N ATOM 795 CA LEU A 55 5.239 1.561 5.823 1.00 0.00 C ATOM 796 C LEU A 55 4.673 0.279 6.420 1.00 0.00 C ATOM 797 O LEU A 55 5.296 -0.783 6.358 1.00 0.00 O ATOM 798 CB LEU A 55 5.322 2.633 6.916 1.00 0.00 C ATOM 799 CG LEU A 55 5.649 4.047 6.433 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.514 5.032 7.581 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.052 4.104 5.841 1.00 0.00 C ATOM 0 H LEU A 55 3.547 2.480 4.997 1.00 0.00 H new ATOM 0 HA LEU A 55 6.236 1.357 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.370 2.661 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.080 2.331 7.639 1.00 0.00 H new ATOM 0 HG LEU A 55 4.941 4.320 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.749 6.036 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.493 5.010 7.961 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.204 4.757 8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.264 5.119 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.779 3.815 6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.118 3.419 4.995 1.00 0.00 H new ATOM 813 N GLN A 56 3.485 0.388 6.995 1.00 0.00 N ATOM 814 CA GLN A 56 2.829 -0.745 7.627 1.00 0.00 C ATOM 815 C GLN A 56 1.478 -1.013 6.971 1.00 0.00 C ATOM 816 O GLN A 56 0.708 -0.087 6.712 1.00 0.00 O ATOM 817 CB GLN A 56 2.656 -0.460 9.125 1.00 0.00 C ATOM 818 CG GLN A 56 2.133 -1.637 9.937 1.00 0.00 C ATOM 819 CD GLN A 56 2.265 -1.426 11.438 1.00 0.00 C ATOM 820 OE1 GLN A 56 1.416 -1.865 12.214 1.00 0.00 O ATOM 821 NE2 GLN A 56 3.335 -0.764 11.864 1.00 0.00 N ATOM 0 H GLN A 56 2.953 1.257 7.036 1.00 0.00 H new ATOM 0 HA GLN A 56 3.446 -1.635 7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.617 -0.150 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.972 0.380 9.245 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.085 -1.805 9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.676 -2.538 9.653 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.019 -0.414 11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.473 -0.606 12.862 1.00 0.00 H new ATOM 830 N VAL A 57 1.200 -2.277 6.693 1.00 0.00 N ATOM 831 CA VAL A 57 -0.060 -2.668 6.072 1.00 0.00 C ATOM 832 C VAL A 57 -0.709 -3.786 6.875 1.00 0.00 C ATOM 833 O VAL A 57 -0.324 -4.948 6.756 1.00 0.00 O ATOM 834 CB VAL A 57 0.121 -3.138 4.608 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.219 -3.543 4.002 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.783 -2.054 3.772 1.00 0.00 C ATOM 0 H VAL A 57 1.831 -3.054 6.888 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.697 -1.784 6.063 1.00 0.00 H new ATOM 0 HB VAL A 57 0.773 -4.012 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.069 -3.870 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.649 -4.359 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.898 -2.690 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.900 -2.406 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.162 -1.158 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.762 -1.820 4.190 1.00 0.00 H new ATOM 846 N ASN A 58 -1.683 -3.426 7.696 1.00 0.00 N ATOM 847 CA ASN A 58 -2.381 -4.396 8.535 1.00 0.00 C ATOM 848 C ASN A 58 -1.395 -5.109 9.456 1.00 0.00 C ATOM 849 O ASN A 58 -1.211 -6.327 9.363 1.00 0.00 O ATOM 850 CB ASN A 58 -3.150 -5.419 7.689 1.00 0.00 C ATOM 851 CG ASN A 58 -4.491 -4.902 7.200 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.575 -4.260 6.159 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.551 -5.177 7.947 1.00 0.00 N ATOM 0 H ASN A 58 -2.011 -2.466 7.802 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.104 -3.851 9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.541 -5.702 6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.309 -6.322 8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.475 -4.852 7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.443 -5.714 8.807 1.00 0.00 H new ATOM 860 N ASP A 59 -0.728 -4.318 10.300 1.00 0.00 N ATOM 861 CA ASP A 59 0.247 -4.810 11.288 1.00 0.00 C ATOM 862 C ASP A 59 1.605 -5.162 10.673 1.00 0.00 C ATOM 863 O ASP A 59 2.645 -4.914 11.290 1.00 0.00 O ATOM 864 CB ASP A 59 -0.295 -6.011 12.070 1.00 0.00 C ATOM 865 CG ASP A 59 -1.272 -5.612 13.157 1.00 0.00 C ATOM 866 OD1 ASP A 59 -0.845 -4.974 14.144 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.473 -5.939 13.031 1.00 0.00 O ATOM 0 H ASP A 59 -0.848 -3.305 10.320 1.00 0.00 H new ATOM 0 HA ASP A 59 0.405 -3.979 11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.787 -6.696 11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.538 -6.553 12.518 1.00 0.00 H new ATOM 872 N VAL A 60 1.612 -5.743 9.476 1.00 0.00 N ATOM 873 CA VAL A 60 2.872 -6.115 8.832 1.00 0.00 C ATOM 874 C VAL A 60 3.683 -4.872 8.467 1.00 0.00 C ATOM 875 O VAL A 60 3.131 -3.847 8.061 1.00 0.00 O ATOM 876 CB VAL A 60 2.667 -7.005 7.579 1.00 0.00 C ATOM 877 CG1 VAL A 60 1.585 -8.043 7.825 1.00 0.00 C ATOM 878 CG2 VAL A 60 2.334 -6.182 6.349 1.00 0.00 C ATOM 0 H VAL A 60 0.774 -5.964 8.938 1.00 0.00 H new ATOM 0 HA VAL A 60 3.427 -6.707 9.560 1.00 0.00 H new ATOM 0 HB VAL A 60 3.611 -7.517 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.459 -8.656 6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.873 -8.678 8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.645 -7.541 8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.198 -6.844 5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.415 -5.622 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.149 -5.487 6.144 1.00 0.00 H new ATOM 888 N ASN A 61 4.994 -4.964 8.623 1.00 0.00 N ATOM 889 CA ASN A 61 5.878 -3.842 8.334 1.00 0.00 C ATOM 890 C ASN A 61 6.713 -4.108 7.088 1.00 0.00 C ATOM 891 O ASN A 61 7.305 -5.175 6.955 1.00 0.00 O ATOM 892 CB ASN A 61 6.797 -3.591 9.527 1.00 0.00 C ATOM 893 CG ASN A 61 7.753 -2.441 9.297 1.00 0.00 C ATOM 894 OD1 ASN A 61 7.410 -1.454 8.655 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.960 -2.561 9.823 1.00 0.00 N ATOM 0 H ASN A 61 5.472 -5.804 8.948 1.00 0.00 H new ATOM 0 HA ASN A 61 5.264 -2.960 8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.191 -3.384 10.409 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.368 -4.496 9.737 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.646 -1.816 9.701 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.205 -3.399 10.350 1.00 0.00 H new ATOM 902 N PHE A 62 6.760 -3.139 6.183 1.00 0.00 N ATOM 903 CA PHE A 62 7.528 -3.281 4.951 1.00 0.00 C ATOM 904 C PHE A 62 8.742 -2.358 4.946 1.00 0.00 C ATOM 905 O PHE A 62 9.515 -2.343 3.988 1.00 0.00 O ATOM 906 CB PHE A 62 6.649 -2.974 3.735 1.00 0.00 C ATOM 907 CG PHE A 62 5.532 -3.960 3.519 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.723 -5.312 3.762 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.292 -3.535 3.064 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.700 -6.217 3.557 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.267 -4.438 2.856 1.00 0.00 C ATOM 912 CZ PHE A 62 3.472 -5.780 3.102 1.00 0.00 C ATOM 0 H PHE A 62 6.276 -2.246 6.278 1.00 0.00 H new ATOM 0 HA PHE A 62 7.876 -4.313 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.222 -1.978 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.276 -2.951 2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.682 -5.661 4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.126 -2.486 2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.861 -7.267 3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.307 -4.094 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.673 -6.488 2.939 1.00 0.00 H new ATOM 922 N GLU A 63 8.916 -1.603 6.023 1.00 0.00 N ATOM 923 CA GLU A 63 10.031 -0.665 6.130 1.00 0.00 C ATOM 924 C GLU A 63 11.385 -1.372 6.080 1.00 0.00 C ATOM 925 O GLU A 63 12.363 -0.815 5.576 1.00 0.00 O ATOM 926 CB GLU A 63 9.923 0.154 7.414 1.00 0.00 C ATOM 927 CG GLU A 63 8.848 1.225 7.360 1.00 0.00 C ATOM 928 CD GLU A 63 8.815 2.079 8.609 1.00 0.00 C ATOM 929 OE1 GLU A 63 9.658 2.992 8.732 1.00 0.00 O ATOM 930 OE2 GLU A 63 7.949 1.843 9.475 1.00 0.00 O ATOM 0 H GLU A 63 8.300 -1.620 6.836 1.00 0.00 H new ATOM 0 HA GLU A 63 9.970 0.001 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.715 -0.517 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.885 0.625 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.019 1.863 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.876 0.752 7.222 1.00 0.00 H new ATOM 937 N ASN A 64 11.447 -2.592 6.593 1.00 0.00 N ATOM 938 CA ASN A 64 12.696 -3.342 6.595 1.00 0.00 C ATOM 939 C ASN A 64 12.563 -4.608 5.756 1.00 0.00 C ATOM 940 O ASN A 64 13.161 -5.642 6.057 1.00 0.00 O ATOM 941 CB ASN A 64 13.114 -3.684 8.027 1.00 0.00 C ATOM 942 CG ASN A 64 14.589 -4.026 8.132 1.00 0.00 C ATOM 943 OD1 ASN A 64 15.397 -3.605 7.304 1.00 0.00 O ATOM 944 ND2 ASN A 64 14.949 -4.793 9.147 1.00 0.00 N ATOM 0 H ASN A 64 10.655 -3.081 7.010 1.00 0.00 H new ATOM 0 HA ASN A 64 13.472 -2.719 6.151 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.892 -2.839 8.679 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.522 -4.527 8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.927 -5.056 9.265 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.248 -5.121 9.812 1.00 0.00 H new ATOM 951 N MET A 65 11.764 -4.521 4.705 1.00 0.00 N ATOM 952 CA MET A 65 11.557 -5.646 3.805 1.00 0.00 C ATOM 953 C MET A 65 11.956 -5.248 2.393 1.00 0.00 C ATOM 954 O MET A 65 12.064 -4.058 2.087 1.00 0.00 O ATOM 955 CB MET A 65 10.096 -6.108 3.830 1.00 0.00 C ATOM 956 CG MET A 65 9.693 -6.779 5.132 1.00 0.00 C ATOM 957 SD MET A 65 8.050 -7.520 5.064 1.00 0.00 S ATOM 958 CE MET A 65 8.340 -8.891 3.950 1.00 0.00 C ATOM 0 H MET A 65 11.246 -3.680 4.453 1.00 0.00 H new ATOM 0 HA MET A 65 12.179 -6.477 4.138 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.449 -5.248 3.659 1.00 0.00 H new ATOM 0 HB3 MET A 65 9.929 -6.802 3.006 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.423 -7.550 5.378 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.721 -6.044 5.937 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.899 -8.670 2.978 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.413 -9.046 3.835 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.885 -9.794 4.358 1.00 0.00 H new ATOM 968 N SER A 66 12.205 -6.232 1.545 1.00 0.00 N ATOM 969 CA SER A 66 12.583 -5.963 0.166 1.00 0.00 C ATOM 970 C SER A 66 11.387 -5.405 -0.599 1.00 0.00 C ATOM 971 O SER A 66 10.247 -5.735 -0.281 1.00 0.00 O ATOM 972 CB SER A 66 13.082 -7.249 -0.488 1.00 0.00 C ATOM 973 OG SER A 66 13.628 -8.125 0.484 1.00 0.00 O ATOM 0 H SER A 66 12.153 -7.222 1.785 1.00 0.00 H new ATOM 0 HA SER A 66 13.384 -5.224 0.146 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.260 -7.741 -1.008 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.837 -7.013 -1.237 1.00 0.00 H new ATOM 0 HG SER A 66 13.941 -8.944 0.047 1.00 0.00 H new ATOM 979 N ASN A 67 11.647 -4.566 -1.599 1.00 0.00 N ATOM 980 CA ASN A 67 10.580 -3.962 -2.402 1.00 0.00 C ATOM 981 C ASN A 67 9.649 -5.032 -2.957 1.00 0.00 C ATOM 982 O ASN A 67 8.427 -4.956 -2.804 1.00 0.00 O ATOM 983 CB ASN A 67 11.161 -3.155 -3.567 1.00 0.00 C ATOM 984 CG ASN A 67 11.938 -1.933 -3.123 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.718 -1.395 -2.040 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.855 -1.488 -3.966 1.00 0.00 N ATOM 0 H ASN A 67 12.588 -4.287 -1.875 1.00 0.00 H new ATOM 0 HA ASN A 67 10.018 -3.296 -1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.815 -3.799 -4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.349 -2.842 -4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.412 -0.668 -3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.005 -1.965 -4.855 1.00 0.00 H new ATOM 993 N ASP A 68 10.243 -6.032 -3.592 1.00 0.00 N ATOM 994 CA ASP A 68 9.490 -7.136 -4.173 1.00 0.00 C ATOM 995 C ASP A 68 8.767 -7.925 -3.096 1.00 0.00 C ATOM 996 O ASP A 68 7.604 -8.291 -3.255 1.00 0.00 O ATOM 997 CB ASP A 68 10.420 -8.074 -4.939 1.00 0.00 C ATOM 998 CG ASP A 68 10.849 -7.514 -6.277 1.00 0.00 C ATOM 999 OD1 ASP A 68 11.608 -6.521 -6.299 1.00 0.00 O ATOM 1000 OD2 ASP A 68 10.429 -8.067 -7.314 1.00 0.00 O ATOM 0 H ASP A 68 11.253 -6.102 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 68 8.756 -6.711 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.304 -8.274 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.917 -9.029 -5.095 1.00 0.00 H new ATOM 1005 N ASP A 69 9.464 -8.167 -1.991 1.00 0.00 N ATOM 1006 CA ASP A 69 8.907 -8.928 -0.877 1.00 0.00 C ATOM 1007 C ASP A 69 7.722 -8.203 -0.257 1.00 0.00 C ATOM 1008 O ASP A 69 6.757 -8.832 0.178 1.00 0.00 O ATOM 1009 CB ASP A 69 9.973 -9.191 0.180 1.00 0.00 C ATOM 1010 CG ASP A 69 9.865 -10.584 0.765 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.684 -11.543 -0.012 1.00 0.00 O ATOM 1012 OD2 ASP A 69 9.976 -10.730 2.000 1.00 0.00 O ATOM 0 H ASP A 69 10.421 -7.846 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 69 8.557 -9.883 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.961 -9.060 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.880 -8.455 0.979 1.00 0.00 H new ATOM 1017 N ALA A 70 7.801 -6.881 -0.225 1.00 0.00 N ATOM 1018 CA ALA A 70 6.729 -6.065 0.318 1.00 0.00 C ATOM 1019 C ALA A 70 5.459 -6.278 -0.492 1.00 0.00 C ATOM 1020 O ALA A 70 4.376 -6.455 0.064 1.00 0.00 O ATOM 1021 CB ALA A 70 7.129 -4.595 0.322 1.00 0.00 C ATOM 0 H ALA A 70 8.600 -6.350 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 70 6.540 -6.365 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.315 -3.997 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.021 -4.462 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.338 -4.272 -0.698 1.00 0.00 H new ATOM 1027 N VAL A 71 5.613 -6.287 -1.812 1.00 0.00 N ATOM 1028 CA VAL A 71 4.491 -6.501 -2.715 1.00 0.00 C ATOM 1029 C VAL A 71 3.970 -7.931 -2.580 1.00 0.00 C ATOM 1030 O VAL A 71 2.764 -8.174 -2.675 1.00 0.00 O ATOM 1031 CB VAL A 71 4.885 -6.219 -4.184 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.721 -6.488 -5.124 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.367 -4.782 -4.339 1.00 0.00 C ATOM 0 H VAL A 71 6.508 -6.148 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 71 3.702 -5.802 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 71 5.699 -6.894 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.026 -6.281 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.418 -7.532 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.883 -5.844 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.640 -4.600 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.570 -4.098 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.236 -4.619 -3.701 1.00 0.00 H new ATOM 1043 N ARG A 72 4.888 -8.868 -2.339 1.00 0.00 N ATOM 1044 CA ARG A 72 4.534 -10.274 -2.167 1.00 0.00 C ATOM 1045 C ARG A 72 3.558 -10.431 -1.006 1.00 0.00 C ATOM 1046 O ARG A 72 2.468 -10.985 -1.162 1.00 0.00 O ATOM 1047 CB ARG A 72 5.783 -11.122 -1.893 1.00 0.00 C ATOM 1048 CG ARG A 72 6.711 -11.301 -3.087 1.00 0.00 C ATOM 1049 CD ARG A 72 7.918 -12.151 -2.715 1.00 0.00 C ATOM 1050 NE ARG A 72 8.894 -12.247 -3.799 1.00 0.00 N ATOM 1051 CZ ARG A 72 10.218 -12.236 -3.623 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.739 -12.095 -2.409 1.00 0.00 N ATOM 1053 NH2 ARG A 72 11.022 -12.360 -4.670 1.00 0.00 N ATOM 0 H ARG A 72 5.886 -8.675 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 72 4.067 -10.619 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.345 -10.662 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.467 -12.106 -1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.168 -11.772 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.044 -10.326 -3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.399 -11.726 -1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.583 -13.152 -2.443 1.00 0.00 H new ATOM 0 HE ARG A 72 8.541 -12.328 -4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.126 -11.994 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.752 -12.088 -2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.629 -12.463 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.034 -12.352 -4.540 1.00 0.00 H new ATOM 1067 N VAL A 73 3.953 -9.919 0.156 1.00 0.00 N ATOM 1068 CA VAL A 73 3.121 -9.992 1.349 1.00 0.00 C ATOM 1069 C VAL A 73 1.860 -9.150 1.174 1.00 0.00 C ATOM 1070 O VAL A 73 0.772 -9.544 1.608 1.00 0.00 O ATOM 1071 CB VAL A 73 3.897 -9.523 2.601 1.00 0.00 C ATOM 1072 CG1 VAL A 73 3.003 -9.500 3.836 1.00 0.00 C ATOM 1073 CG2 VAL A 73 5.105 -10.412 2.840 1.00 0.00 C ATOM 0 H VAL A 73 4.847 -9.448 0.295 1.00 0.00 H new ATOM 0 HA VAL A 73 2.836 -11.034 1.492 1.00 0.00 H new ATOM 0 HB VAL A 73 4.239 -8.504 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.581 -9.166 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.171 -8.816 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.617 -10.502 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.640 -10.068 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.776 -11.440 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.767 -10.367 1.975 1.00 0.00 H new ATOM 1083 N LEU A 74 2.012 -7.997 0.529 1.00 0.00 N ATOM 1084 CA LEU A 74 0.890 -7.101 0.282 1.00 0.00 C ATOM 1085 C LEU A 74 -0.186 -7.808 -0.536 1.00 0.00 C ATOM 1086 O LEU A 74 -1.373 -7.700 -0.237 1.00 0.00 O ATOM 1087 CB LEU A 74 1.360 -5.840 -0.452 1.00 0.00 C ATOM 1088 CG LEU A 74 0.262 -4.831 -0.794 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.276 -4.174 0.467 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.786 -3.777 -1.761 1.00 0.00 C ATOM 0 H LEU A 74 2.905 -7.662 0.167 1.00 0.00 H new ATOM 0 HA LEU A 74 0.468 -6.810 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.110 -5.341 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.854 -6.141 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.555 -5.367 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.056 -3.460 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.692 -4.937 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.533 -3.654 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.009 -3.068 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.622 -3.248 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.120 -4.260 -2.679 1.00 0.00 H new ATOM 1102 N ARG A 75 0.238 -8.551 -1.553 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.690 -9.274 -2.411 1.00 0.00 C ATOM 1104 C ARG A 75 -1.505 -10.283 -1.614 1.00 0.00 C ATOM 1105 O ARG A 75 -2.680 -10.493 -1.900 1.00 0.00 O ATOM 1106 CB ARG A 75 0.046 -9.966 -3.564 1.00 0.00 C ATOM 1107 CG ARG A 75 0.082 -9.120 -4.825 1.00 0.00 C ATOM 1108 CD ARG A 75 0.601 -9.892 -6.028 1.00 0.00 C ATOM 1109 NE ARG A 75 0.323 -9.186 -7.281 1.00 0.00 N ATOM 1110 CZ ARG A 75 1.244 -8.883 -8.196 1.00 0.00 C ATOM 1111 NH1 ARG A 75 2.520 -9.205 -7.997 1.00 0.00 N ATOM 1112 NH2 ARG A 75 0.892 -8.236 -9.303 1.00 0.00 N ATOM 0 H ARG A 75 1.220 -8.667 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.378 -8.544 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.066 -10.194 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.441 -10.917 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.921 -8.750 -5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.714 -8.248 -4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.675 -10.046 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.139 -10.879 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.641 -8.907 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.797 -9.686 -7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.221 -8.971 -8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.082 -7.972 -9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.596 -8.004 -10.004 1.00 0.00 H new ATOM 1126 N GLU A 76 -0.892 -10.890 -0.606 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.585 -11.862 0.231 1.00 0.00 C ATOM 1128 C GLU A 76 -2.708 -11.191 1.017 1.00 0.00 C ATOM 1129 O GLU A 76 -3.757 -11.790 1.259 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.604 -12.540 1.187 1.00 0.00 C ATOM 1131 CG GLU A 76 0.276 -13.577 0.512 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.497 -14.446 -0.461 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.355 -15.238 -0.018 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.249 -14.338 -1.678 1.00 0.00 O ATOM 0 H GLU A 76 0.081 -10.727 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.022 -12.621 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.029 -11.780 1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.163 -13.017 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.085 -13.074 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.737 -14.208 1.272 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.486 -9.944 1.407 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.483 -9.190 2.156 1.00 0.00 C ATOM 1143 C ILE A 77 -4.551 -8.644 1.210 1.00 0.00 C ATOM 1144 O ILE A 77 -5.745 -8.720 1.487 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.839 -8.020 2.932 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.620 -8.509 3.719 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.855 -7.375 3.866 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.735 -7.392 4.230 1.00 0.00 C ATOM 0 H ILE A 77 -1.624 -9.432 1.218 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.941 -9.870 2.874 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.508 -7.269 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.961 -9.106 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.028 -9.167 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.384 -6.553 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.694 -6.994 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.216 -8.116 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.107 -7.816 4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.363 -6.808 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.310 -6.746 4.893 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.096 -8.121 0.076 1.00 0.00 N ATOM 1161 CA VAL A 78 -4.977 -7.548 -0.941 1.00 0.00 C ATOM 1162 C VAL A 78 -5.897 -8.614 -1.549 1.00 0.00 C ATOM 1163 O VAL A 78 -7.015 -8.320 -1.972 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.136 -6.861 -2.047 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.000 -6.389 -3.208 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.361 -5.691 -1.455 1.00 0.00 C ATOM 0 H VAL A 78 -3.106 -8.081 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.609 -6.802 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.437 -7.599 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.371 -5.914 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.512 -7.243 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.737 -5.672 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.772 -5.212 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.059 -4.968 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.697 -6.054 -0.671 1.00 0.00 H new ATOM 1176 N SER A 79 -5.429 -9.852 -1.572 1.00 0.00 N ATOM 1177 CA SER A 79 -6.221 -10.949 -2.113 1.00 0.00 C ATOM 1178 C SER A 79 -6.898 -11.729 -0.987 1.00 0.00 C ATOM 1179 O SER A 79 -7.169 -12.919 -1.117 1.00 0.00 O ATOM 1180 CB SER A 79 -5.336 -11.882 -2.941 1.00 0.00 C ATOM 1181 OG SER A 79 -4.429 -11.142 -3.743 1.00 0.00 O ATOM 0 H SER A 79 -4.509 -10.123 -1.224 1.00 0.00 H new ATOM 0 HA SER A 79 -6.994 -10.531 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.782 -12.547 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.959 -12.511 -3.576 1.00 0.00 H new ATOM 0 HG SER A 79 -3.617 -10.952 -3.228 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.176 -11.047 0.116 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.812 -11.672 1.267 1.00 0.00 C ATOM 1189 C GLN A 80 -9.087 -10.918 1.638 1.00 0.00 C ATOM 1190 O GLN A 80 -9.455 -9.949 0.973 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.840 -11.698 2.453 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.824 -13.024 3.198 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.389 -14.198 2.332 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.836 -15.326 2.531 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.511 -13.950 1.370 1.00 0.00 N ATOM 0 H GLN A 80 -6.970 -10.056 0.238 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.079 -12.698 1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.834 -11.481 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.108 -10.903 3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.152 -12.944 4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.820 -13.223 3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.160 -13.002 1.232 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.187 -14.707 0.768 1.00 0.00 H new ATOM 1204 N THR A 81 -9.762 -11.370 2.686 1.00 0.00 N ATOM 1205 CA THR A 81 -10.992 -10.736 3.139 1.00 0.00 C ATOM 1206 C THR A 81 -10.757 -9.960 4.434 1.00 0.00 C ATOM 1207 O THR A 81 -10.016 -10.414 5.306 1.00 0.00 O ATOM 1208 CB THR A 81 -12.088 -11.792 3.379 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.731 -13.024 2.734 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.427 -11.313 2.850 1.00 0.00 C ATOM 0 H THR A 81 -9.477 -12.177 3.241 1.00 0.00 H new ATOM 0 HA THR A 81 -11.315 -10.046 2.360 1.00 0.00 H new ATOM 0 HB THR A 81 -12.175 -11.953 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.431 -13.691 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.184 -12.076 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.711 -10.392 3.359 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.349 -11.126 1.779 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.371 -8.792 4.556 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.214 -8.002 5.762 1.00 0.00 C ATOM 1220 C GLY A 82 -10.798 -6.572 5.474 1.00 0.00 C ATOM 1221 O GLY A 82 -10.453 -6.243 4.339 1.00 0.00 O ATOM 0 H GLY A 82 -11.973 -8.378 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.154 -7.999 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.468 -8.471 6.404 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.838 -5.694 6.490 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.454 -4.288 6.345 1.00 0.00 C ATOM 1227 C PRO A 83 -8.952 -4.125 6.152 1.00 0.00 C ATOM 1228 O PRO A 83 -8.151 -4.688 6.904 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.890 -3.643 7.670 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.745 -4.659 8.347 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.269 -5.995 7.858 1.00 0.00 C ATOM 0 HA PRO A 83 -10.916 -3.833 5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.027 -3.385 8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.443 -2.720 7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.654 -4.585 9.431 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.797 -4.507 8.105 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.451 -6.382 8.466 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.063 -6.742 7.879 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.572 -3.351 5.148 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.165 -3.123 4.860 1.00 0.00 C ATOM 1241 C ILE A 84 -6.727 -1.757 5.373 1.00 0.00 C ATOM 1242 O ILE A 84 -7.222 -0.721 4.930 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.861 -3.253 3.347 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.053 -4.707 2.901 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.444 -2.776 3.037 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.882 -4.921 1.412 1.00 0.00 C ATOM 0 H ILE A 84 -9.217 -2.871 4.520 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.596 -3.894 5.380 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.556 -2.621 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.340 -5.337 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.050 -5.038 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.252 -2.876 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.340 -1.731 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.727 -3.380 3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.033 -5.974 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.613 -4.319 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.876 -4.623 1.115 1.00 0.00 H new ATOM 1258 N SER A 85 -5.806 -1.770 6.321 1.00 0.00 N ATOM 1259 CA SER A 85 -5.294 -0.546 6.907 1.00 0.00 C ATOM 1260 C SER A 85 -3.908 -0.232 6.357 1.00 0.00 C ATOM 1261 O SER A 85 -2.957 -0.985 6.566 1.00 0.00 O ATOM 1262 CB SER A 85 -5.251 -0.667 8.431 1.00 0.00 C ATOM 1263 OG SER A 85 -6.551 -0.865 8.967 1.00 0.00 O ATOM 0 H SER A 85 -5.396 -2.622 6.703 1.00 0.00 H new ATOM 0 HA SER A 85 -5.962 0.273 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.607 -1.500 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.812 0.235 8.858 1.00 0.00 H new ATOM 0 HG SER A 85 -6.495 -0.941 9.942 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.805 0.884 5.656 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.550 1.300 5.059 1.00 0.00 C ATOM 1271 C LEU A 86 -1.931 2.447 5.840 1.00 0.00 C ATOM 1272 O LEU A 86 -2.569 3.475 6.059 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.764 1.736 3.608 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.269 0.649 2.656 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.554 1.248 1.289 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.257 -0.484 2.539 1.00 0.00 C ATOM 0 H LEU A 86 -4.583 1.522 5.486 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.873 0.446 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.475 2.562 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.821 2.123 3.221 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.192 0.236 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.913 0.468 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.314 2.024 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.640 1.683 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.639 -1.244 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.315 -0.092 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.092 -0.928 3.521 1.00 0.00 H new ATOM 1288 N THR A 87 -0.701 2.253 6.279 1.00 0.00 N ATOM 1289 CA THR A 87 0.026 3.282 7.002 1.00 0.00 C ATOM 1290 C THR A 87 1.013 3.938 6.043 1.00 0.00 C ATOM 1291 O THR A 87 2.040 3.347 5.696 1.00 0.00 O ATOM 1292 CB THR A 87 0.776 2.688 8.209 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.001 1.625 8.784 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.041 3.750 9.264 1.00 0.00 C ATOM 0 H THR A 87 -0.181 1.386 6.146 1.00 0.00 H new ATOM 0 HA THR A 87 -0.679 4.020 7.384 1.00 0.00 H new ATOM 0 HB THR A 87 1.734 2.302 7.860 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.081 0.823 8.226 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.572 3.303 10.105 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.648 4.547 8.834 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.094 4.163 9.611 1.00 0.00 H new ATOM 1302 N VAL A 88 0.689 5.140 5.596 1.00 0.00 N ATOM 1303 CA VAL A 88 1.524 5.840 4.636 1.00 0.00 C ATOM 1304 C VAL A 88 2.367 6.934 5.275 1.00 0.00 C ATOM 1305 O VAL A 88 1.991 7.526 6.287 1.00 0.00 O ATOM 1306 CB VAL A 88 0.678 6.465 3.504 1.00 0.00 C ATOM 1307 CG1 VAL A 88 -0.005 5.385 2.678 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.355 7.441 4.062 1.00 0.00 C ATOM 0 H VAL A 88 -0.146 5.651 5.883 1.00 0.00 H new ATOM 0 HA VAL A 88 2.194 5.084 4.226 1.00 0.00 H new ATOM 0 HB VAL A 88 1.354 7.021 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.594 5.850 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.749 4.735 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.660 4.795 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.935 7.865 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.022 6.914 4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.154 8.242 4.598 1.00 0.00 H new ATOM 1318 N ALA A 89 3.513 7.181 4.660 1.00 0.00 N ATOM 1319 CA ALA A 89 4.434 8.209 5.104 1.00 0.00 C ATOM 1320 C ALA A 89 4.411 9.367 4.123 1.00 0.00 C ATOM 1321 O ALA A 89 4.903 9.251 2.996 1.00 0.00 O ATOM 1322 CB ALA A 89 5.843 7.652 5.230 1.00 0.00 C ATOM 0 H ALA A 89 3.829 6.670 3.836 1.00 0.00 H new ATOM 0 HA ALA A 89 4.122 8.562 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.517 8.440 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.849 6.838 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.174 7.278 4.261 1.00 0.00 H new ATOM 1328 N LYS A 90 3.814 10.468 4.539 1.00 0.00 N ATOM 1329 CA LYS A 90 3.714 11.644 3.695 1.00 0.00 C ATOM 1330 C LYS A 90 4.692 12.714 4.153 1.00 0.00 C ATOM 1331 O LYS A 90 4.405 13.385 5.163 1.00 0.00 O ATOM 1332 CB LYS A 90 2.287 12.190 3.725 1.00 0.00 C ATOM 1333 CG LYS A 90 1.228 11.125 3.499 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.176 11.680 3.678 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.530 12.685 2.594 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.624 12.051 1.256 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.743 12.881 3.503 1.00 0.00 O ATOM 0 H LYS A 90 3.389 10.573 5.460 1.00 0.00 H new ATOM 0 HA LYS A 90 3.965 11.360 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.110 12.669 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.185 12.961 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.332 10.716 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.385 10.302 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.895 10.861 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.256 12.156 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.480 13.161 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.223 13.472 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.222 12.634 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.327 11.970 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.043 11.104 1.349 1.00 0.00 H new