USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 Single : A 1 GLY N :NH3+ -117:sc= 0.081 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.526 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.644 K(o=-0.64,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.437 USER MOD Single : A 25 HIS : no HD1:sc= -2.69! K(o=-2.7!,f=-1.4) USER MOD Single : A 28 HIS : no HD1:sc= -6.22! C(o=-6.2!,f=-3.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 138:sc= -0.296 (180deg=-1.67!) USER MOD Single : A 43 MET CE :methyl 148:sc= -0.192 (180deg=-1.96!) USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= 1.04 (180deg=0.412) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.062 K(o=-0.062,f=-0.79) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.336 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00885 X(o=-0.0089,f=-0.43) USER MOD Single : A 78 HIS : no HE2:sc= -3.42! C(o=-3.4!,f=-4.6!) USER MOD Single : A 81 ASN : amide:sc= -1.82! C(o=-1.8!,f=-2.7!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -74:sc= 0.399 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.401 5.763 -7.231 1.00 0.00 N ATOM 2 CA GLY A 1 -36.029 6.081 -6.881 1.00 0.00 C ATOM 3 C GLY A 1 -35.027 5.210 -7.611 1.00 0.00 C ATOM 4 O GLY A 1 -35.389 4.466 -8.523 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.842 6.586 -7.689 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.414 4.954 -7.885 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.932 5.520 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.832 7.128 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.895 5.961 -5.806 1.00 0.00 H new ATOM 8 N SER A 2 -33.762 5.302 -7.211 1.00 0.00 N ATOM 9 CA SER A 2 -32.703 4.519 -7.838 1.00 0.00 C ATOM 10 C SER A 2 -31.671 4.077 -6.805 1.00 0.00 C ATOM 11 O SER A 2 -31.490 4.726 -5.775 1.00 0.00 O ATOM 12 CB SER A 2 -32.023 5.332 -8.940 1.00 0.00 C ATOM 13 OG SER A 2 -32.960 5.756 -9.915 1.00 0.00 O ATOM 0 H SER A 2 -33.446 5.911 -6.456 1.00 0.00 H new ATOM 0 HA SER A 2 -33.154 3.630 -8.279 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.530 6.201 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.248 4.730 -9.414 1.00 0.00 H new ATOM 0 HG SER A 2 -32.500 6.275 -10.607 1.00 0.00 H new ATOM 19 N SER A 3 -30.997 2.967 -7.089 1.00 0.00 N ATOM 20 CA SER A 3 -29.986 2.434 -6.184 1.00 0.00 C ATOM 21 C SER A 3 -28.933 1.640 -6.952 1.00 0.00 C ATOM 22 O SER A 3 -29.254 0.689 -7.664 1.00 0.00 O ATOM 23 CB SER A 3 -30.637 1.545 -5.123 1.00 0.00 C ATOM 24 OG SER A 3 -31.088 0.325 -5.686 1.00 0.00 O ATOM 0 H SER A 3 -31.133 2.420 -7.939 1.00 0.00 H new ATOM 0 HA SER A 3 -29.496 3.274 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.921 1.339 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.476 2.071 -4.668 1.00 0.00 H new ATOM 0 HG SER A 3 -30.582 0.135 -6.504 1.00 0.00 H new ATOM 30 N GLY A 4 -27.674 2.040 -6.802 1.00 0.00 N ATOM 31 CA GLY A 4 -26.592 1.356 -7.487 1.00 0.00 C ATOM 32 C GLY A 4 -25.261 1.524 -6.782 1.00 0.00 C ATOM 33 O GLY A 4 -24.287 1.980 -7.380 1.00 0.00 O ATOM 0 H GLY A 4 -27.384 2.825 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.828 0.295 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.511 1.738 -8.505 1.00 0.00 H new ATOM 37 N SER A 5 -25.219 1.156 -5.505 1.00 0.00 N ATOM 38 CA SER A 5 -23.999 1.273 -4.715 1.00 0.00 C ATOM 39 C SER A 5 -23.518 -0.099 -4.253 1.00 0.00 C ATOM 40 O SER A 5 -24.160 -1.116 -4.516 1.00 0.00 O ATOM 41 CB SER A 5 -24.235 2.178 -3.505 1.00 0.00 C ATOM 42 OG SER A 5 -24.376 3.532 -3.900 1.00 0.00 O ATOM 0 H SER A 5 -26.016 0.774 -4.996 1.00 0.00 H new ATOM 0 HA SER A 5 -23.228 1.716 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.131 1.855 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.402 2.084 -2.809 1.00 0.00 H new ATOM 0 HG SER A 5 -24.528 4.090 -3.108 1.00 0.00 H new ATOM 48 N SER A 6 -22.383 -0.119 -3.561 1.00 0.00 N ATOM 49 CA SER A 6 -21.812 -1.365 -3.064 1.00 0.00 C ATOM 50 C SER A 6 -21.626 -1.312 -1.551 1.00 0.00 C ATOM 51 O SER A 6 -22.053 -2.213 -0.830 1.00 0.00 O ATOM 52 CB SER A 6 -20.470 -1.643 -3.745 1.00 0.00 C ATOM 53 OG SER A 6 -20.654 -2.318 -4.977 1.00 0.00 O ATOM 0 H SER A 6 -21.841 0.714 -3.332 1.00 0.00 H new ATOM 0 HA SER A 6 -22.505 -2.173 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.944 -0.704 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.842 -2.244 -3.087 1.00 0.00 H new ATOM 0 HG SER A 6 -19.782 -2.483 -5.393 1.00 0.00 H new ATOM 59 N GLY A 7 -20.984 -0.249 -1.076 1.00 0.00 N ATOM 60 CA GLY A 7 -20.752 -0.097 0.348 1.00 0.00 C ATOM 61 C GLY A 7 -19.506 -0.823 0.813 1.00 0.00 C ATOM 62 O GLY A 7 -19.580 -1.957 1.287 1.00 0.00 O ATOM 0 H GLY A 7 -20.620 0.510 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.662 0.963 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.615 -0.475 0.896 1.00 0.00 H new ATOM 66 N ARG A 8 -18.357 -0.169 0.677 1.00 0.00 N ATOM 67 CA ARG A 8 -17.088 -0.761 1.084 1.00 0.00 C ATOM 68 C ARG A 8 -17.189 -1.352 2.487 1.00 0.00 C ATOM 69 O ARG A 8 -17.848 -0.789 3.362 1.00 0.00 O ATOM 70 CB ARG A 8 -15.974 0.286 1.039 1.00 0.00 C ATOM 71 CG ARG A 8 -15.360 0.463 -0.340 1.00 0.00 C ATOM 72 CD ARG A 8 -16.096 1.521 -1.147 1.00 0.00 C ATOM 73 NE ARG A 8 -15.754 1.465 -2.565 1.00 0.00 N ATOM 74 CZ ARG A 8 -16.087 2.408 -3.440 1.00 0.00 C ATOM 75 NH1 ARG A 8 -16.768 3.473 -3.043 1.00 0.00 N ATOM 76 NH2 ARG A 8 -15.739 2.285 -4.714 1.00 0.00 N ATOM 0 H ARG A 8 -18.279 0.771 0.288 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.850 -1.564 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.373 1.243 1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.191 0.002 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.312 0.745 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.385 -0.486 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.171 1.385 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.854 2.509 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.230 0.657 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.038 3.570 -2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.023 4.196 -3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.215 1.466 -5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.995 3.009 -5.385 1.00 0.00 H new ATOM 90 N ILE A 9 -16.533 -2.488 2.694 1.00 0.00 N ATOM 91 CA ILE A 9 -16.549 -3.154 3.991 1.00 0.00 C ATOM 92 C ILE A 9 -15.216 -3.839 4.274 1.00 0.00 C ATOM 93 O ILE A 9 -14.288 -3.772 3.468 1.00 0.00 O ATOM 94 CB ILE A 9 -17.678 -4.198 4.074 1.00 0.00 C ATOM 95 CG1 ILE A 9 -17.855 -4.898 2.725 1.00 0.00 C ATOM 96 CG2 ILE A 9 -18.978 -3.539 4.509 1.00 0.00 C ATOM 97 CD1 ILE A 9 -18.780 -6.094 2.782 1.00 0.00 C ATOM 0 H ILE A 9 -15.984 -2.967 1.981 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.724 -2.382 4.740 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.406 -4.947 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.244 -4.182 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.879 -5.220 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.766 -4.290 4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -18.844 -3.082 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.257 -2.772 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.859 -6.541 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.381 -6.829 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -19.767 -5.775 3.115 1.00 0.00 H new ATOM 109 N VAL A 10 -15.129 -4.500 5.423 1.00 0.00 N ATOM 110 CA VAL A 10 -13.911 -5.201 5.812 1.00 0.00 C ATOM 111 C VAL A 10 -13.864 -6.599 5.205 1.00 0.00 C ATOM 112 O VAL A 10 -12.832 -7.029 4.690 1.00 0.00 O ATOM 113 CB VAL A 10 -13.793 -5.314 7.343 1.00 0.00 C ATOM 114 CG1 VAL A 10 -12.529 -6.069 7.727 1.00 0.00 C ATOM 115 CG2 VAL A 10 -13.814 -3.934 7.982 1.00 0.00 C ATOM 0 H VAL A 10 -15.888 -4.565 6.102 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.074 -4.615 5.433 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.650 -5.875 7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.463 -6.139 8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.560 -7.071 7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.658 -5.538 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.730 -4.033 9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.977 -3.346 7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.750 -3.433 7.735 1.00 0.00 H new ATOM 125 N GLY A 11 -14.989 -7.304 5.268 1.00 0.00 N ATOM 126 CA GLY A 11 -15.055 -8.647 4.721 1.00 0.00 C ATOM 127 C GLY A 11 -14.539 -9.693 5.688 1.00 0.00 C ATOM 128 O GLY A 11 -14.305 -9.402 6.861 1.00 0.00 O ATOM 0 H GLY A 11 -15.856 -6.969 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -16.087 -8.878 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.473 -8.690 3.800 1.00 0.00 H new ATOM 132 N GLU A 12 -14.364 -10.916 5.197 1.00 0.00 N ATOM 133 CA GLU A 12 -13.875 -12.010 6.028 1.00 0.00 C ATOM 134 C GLU A 12 -12.368 -12.185 5.866 1.00 0.00 C ATOM 135 O GLU A 12 -11.817 -11.959 4.788 1.00 0.00 O ATOM 136 CB GLU A 12 -14.592 -13.313 5.669 1.00 0.00 C ATOM 137 CG GLU A 12 -15.997 -13.412 6.240 1.00 0.00 C ATOM 138 CD GLU A 12 -16.021 -14.030 7.624 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.494 -13.398 8.564 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.567 -15.143 7.768 1.00 0.00 O ATOM 0 H GLU A 12 -14.553 -11.174 4.229 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.085 -11.763 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.643 -13.403 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.002 -14.155 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.439 -12.417 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.617 -14.007 5.569 1.00 0.00 H new ATOM 147 N LEU A 13 -11.706 -12.588 6.945 1.00 0.00 N ATOM 148 CA LEU A 13 -10.262 -12.793 6.924 1.00 0.00 C ATOM 149 C LEU A 13 -9.859 -13.711 5.774 1.00 0.00 C ATOM 150 O LEU A 13 -9.021 -13.353 4.947 1.00 0.00 O ATOM 151 CB LEU A 13 -9.792 -13.386 8.254 1.00 0.00 C ATOM 152 CG LEU A 13 -9.552 -12.387 9.386 1.00 0.00 C ATOM 153 CD1 LEU A 13 -10.844 -12.111 10.138 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.481 -12.905 10.335 1.00 0.00 C ATOM 0 H LEU A 13 -12.146 -12.779 7.845 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.784 -11.825 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.534 -14.112 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.867 -13.934 8.078 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.203 -11.451 8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.653 -11.398 10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.583 -11.697 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.224 -13.041 10.562 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.323 -12.182 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.802 -13.855 10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.550 -13.051 9.788 1.00 0.00 H new ATOM 166 N GLU A 14 -10.462 -14.895 5.729 1.00 0.00 N ATOM 167 CA GLU A 14 -10.166 -15.863 4.680 1.00 0.00 C ATOM 168 C GLU A 14 -10.433 -15.268 3.300 1.00 0.00 C ATOM 169 O GLU A 14 -9.679 -15.501 2.356 1.00 0.00 O ATOM 170 CB GLU A 14 -11.004 -17.129 4.872 1.00 0.00 C ATOM 171 CG GLU A 14 -10.459 -18.063 5.939 1.00 0.00 C ATOM 172 CD GLU A 14 -11.131 -19.422 5.923 1.00 0.00 C ATOM 173 OE1 GLU A 14 -10.697 -20.289 5.136 1.00 0.00 O ATOM 174 OE2 GLU A 14 -12.091 -19.619 6.697 1.00 0.00 O ATOM 0 H GLU A 14 -11.158 -15.206 6.407 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.109 -16.122 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.022 -16.844 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.059 -17.666 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.387 -18.190 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.594 -17.607 6.920 1.00 0.00 H new ATOM 181 N GLN A 15 -11.512 -14.499 3.192 1.00 0.00 N ATOM 182 CA GLN A 15 -11.879 -13.872 1.928 1.00 0.00 C ATOM 183 C GLN A 15 -10.755 -12.976 1.418 1.00 0.00 C ATOM 184 O GLN A 15 -10.458 -12.957 0.224 1.00 0.00 O ATOM 185 CB GLN A 15 -13.163 -13.056 2.093 1.00 0.00 C ATOM 186 CG GLN A 15 -14.431 -13.877 1.926 1.00 0.00 C ATOM 187 CD GLN A 15 -14.867 -13.991 0.479 1.00 0.00 C ATOM 188 OE1 GLN A 15 -15.798 -13.313 0.043 1.00 0.00 O ATOM 189 NE2 GLN A 15 -14.193 -14.851 -0.276 1.00 0.00 N ATOM 0 H GLN A 15 -12.147 -14.295 3.964 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.050 -14.661 1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.166 -12.595 3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.165 -12.246 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.269 -14.875 2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.233 -13.423 2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.428 -15.393 0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.440 -14.970 -1.258 1.00 0.00 H new ATOM 198 N MET A 16 -10.135 -12.236 2.331 1.00 0.00 N ATOM 199 CA MET A 16 -9.042 -11.339 1.972 1.00 0.00 C ATOM 200 C MET A 16 -7.985 -12.070 1.152 1.00 0.00 C ATOM 201 O MET A 16 -7.835 -13.288 1.257 1.00 0.00 O ATOM 202 CB MET A 16 -8.407 -10.746 3.232 1.00 0.00 C ATOM 203 CG MET A 16 -9.359 -9.882 4.043 1.00 0.00 C ATOM 204 SD MET A 16 -8.514 -8.922 5.314 1.00 0.00 S ATOM 205 CE MET A 16 -9.903 -8.365 6.297 1.00 0.00 C ATOM 0 H MET A 16 -10.370 -12.239 3.324 1.00 0.00 H new ATOM 0 HA MET A 16 -9.452 -10.532 1.365 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.041 -11.558 3.861 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.541 -10.149 2.946 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.888 -9.204 3.373 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.110 -10.518 4.512 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.541 -7.756 7.126 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.573 -7.771 5.676 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.441 -9.228 6.689 1.00 0.00 H new ATOM 215 N VAL A 17 -7.253 -11.320 0.334 1.00 0.00 N ATOM 216 CA VAL A 17 -6.209 -11.897 -0.504 1.00 0.00 C ATOM 217 C VAL A 17 -4.924 -11.082 -0.420 1.00 0.00 C ATOM 218 O VAL A 17 -4.959 -9.854 -0.343 1.00 0.00 O ATOM 219 CB VAL A 17 -6.654 -11.982 -1.977 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.809 -12.960 -2.130 1.00 0.00 C ATOM 221 CG2 VAL A 17 -7.038 -10.605 -2.497 1.00 0.00 C ATOM 0 H VAL A 17 -7.364 -10.311 0.234 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.023 -12.904 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.817 -12.349 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.110 -13.007 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.494 -13.949 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.652 -12.625 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.350 -10.683 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.860 -10.207 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.180 -9.936 -2.424 1.00 0.00 H new ATOM 231 N SER A 18 -3.789 -11.774 -0.434 1.00 0.00 N ATOM 232 CA SER A 18 -2.490 -11.115 -0.356 1.00 0.00 C ATOM 233 C SER A 18 -1.861 -10.989 -1.739 1.00 0.00 C ATOM 234 O SER A 18 -1.627 -11.988 -2.419 1.00 0.00 O ATOM 235 CB SER A 18 -1.556 -11.892 0.574 1.00 0.00 C ATOM 236 OG SER A 18 -0.206 -11.510 0.375 1.00 0.00 O ATOM 0 H SER A 18 -3.743 -12.791 -0.499 1.00 0.00 H new ATOM 0 HA SER A 18 -2.641 -10.114 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.839 -11.713 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.665 -12.961 0.394 1.00 0.00 H new ATOM 0 HG SER A 18 0.371 -12.019 0.982 1.00 0.00 H new ATOM 242 N GLU A 19 -1.589 -9.754 -2.149 1.00 0.00 N ATOM 243 CA GLU A 19 -0.987 -9.497 -3.452 1.00 0.00 C ATOM 244 C GLU A 19 0.401 -8.881 -3.298 1.00 0.00 C ATOM 245 O GLU A 19 0.710 -8.268 -2.276 1.00 0.00 O ATOM 246 CB GLU A 19 -1.880 -8.569 -4.277 1.00 0.00 C ATOM 247 CG GLU A 19 -2.945 -9.302 -5.077 1.00 0.00 C ATOM 248 CD GLU A 19 -4.231 -9.494 -4.297 1.00 0.00 C ATOM 249 OE1 GLU A 19 -4.355 -10.525 -3.604 1.00 0.00 O ATOM 250 OE2 GLU A 19 -5.113 -8.614 -4.380 1.00 0.00 O ATOM 0 H GLU A 19 -1.776 -8.916 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.887 -10.450 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.365 -7.857 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.257 -7.992 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.157 -8.744 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.560 -10.275 -5.381 1.00 0.00 H new ATOM 257 N ASP A 20 1.233 -9.050 -4.320 1.00 0.00 N ATOM 258 CA ASP A 20 2.587 -8.510 -4.300 1.00 0.00 C ATOM 259 C ASP A 20 2.701 -7.293 -5.212 1.00 0.00 C ATOM 260 O ASP A 20 2.523 -7.394 -6.426 1.00 0.00 O ATOM 261 CB ASP A 20 3.592 -9.581 -4.730 1.00 0.00 C ATOM 262 CG ASP A 20 3.512 -10.828 -3.872 1.00 0.00 C ATOM 263 OD1 ASP A 20 3.507 -10.693 -2.631 1.00 0.00 O ATOM 264 OD2 ASP A 20 3.456 -11.938 -4.442 1.00 0.00 O ATOM 0 H ASP A 20 0.993 -9.557 -5.172 1.00 0.00 H new ATOM 0 HA ASP A 20 2.812 -8.199 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.411 -9.848 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.601 -9.171 -4.677 1.00 0.00 H new ATOM 269 N VAL A 21 2.998 -6.141 -4.619 1.00 0.00 N ATOM 270 CA VAL A 21 3.135 -4.903 -5.377 1.00 0.00 C ATOM 271 C VAL A 21 4.586 -4.436 -5.409 1.00 0.00 C ATOM 272 O VAL A 21 5.199 -4.163 -4.377 1.00 0.00 O ATOM 273 CB VAL A 21 2.260 -3.782 -4.786 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.969 -2.722 -5.836 1.00 0.00 C ATOM 275 CG2 VAL A 21 0.969 -4.356 -4.223 1.00 0.00 C ATOM 0 H VAL A 21 3.148 -6.039 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 21 2.802 -5.116 -6.393 1.00 0.00 H new ATOM 0 HB VAL A 21 2.807 -3.309 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.350 -1.938 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.906 -2.291 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.442 -3.176 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.363 -3.550 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.416 -4.855 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.202 -5.074 -3.437 1.00 0.00 H new ATOM 285 N PRO A 22 5.151 -4.342 -6.622 1.00 0.00 N ATOM 286 CA PRO A 22 6.537 -3.907 -6.819 1.00 0.00 C ATOM 287 C PRO A 22 6.730 -2.428 -6.506 1.00 0.00 C ATOM 288 O PRO A 22 6.396 -1.562 -7.317 1.00 0.00 O ATOM 289 CB PRO A 22 6.786 -4.177 -8.305 1.00 0.00 C ATOM 290 CG PRO A 22 5.435 -4.126 -8.931 1.00 0.00 C ATOM 291 CD PRO A 22 4.479 -4.652 -7.896 1.00 0.00 C ATOM 0 HA PRO A 22 7.226 -4.430 -6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.451 -3.429 -8.737 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.257 -5.148 -8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.177 -3.107 -9.219 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.401 -4.731 -9.837 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.505 -4.167 -7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.311 -5.723 -8.012 1.00 0.00 H new ATOM 299 N LEU A 23 7.272 -2.143 -5.327 1.00 0.00 N ATOM 300 CA LEU A 23 7.510 -0.766 -4.907 1.00 0.00 C ATOM 301 C LEU A 23 8.992 -0.529 -4.634 1.00 0.00 C ATOM 302 O LEU A 23 9.640 -1.318 -3.946 1.00 0.00 O ATOM 303 CB LEU A 23 6.691 -0.445 -3.656 1.00 0.00 C ATOM 304 CG LEU A 23 6.492 1.040 -3.347 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.542 1.671 -4.353 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.971 1.224 -1.929 1.00 0.00 C ATOM 0 H LEU A 23 7.555 -2.847 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 23 7.199 -0.106 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.710 -0.909 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.176 -0.912 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 23 7.457 1.541 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.412 2.727 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.956 1.571 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.576 1.168 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.835 2.286 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.016 0.709 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.688 0.808 -1.221 1.00 0.00 H new ATOM 318 N ASP A 24 9.521 0.563 -5.175 1.00 0.00 N ATOM 319 CA ASP A 24 10.926 0.906 -4.986 1.00 0.00 C ATOM 320 C ASP A 24 11.194 1.328 -3.545 1.00 0.00 C ATOM 321 O ASP A 24 10.315 1.867 -2.871 1.00 0.00 O ATOM 322 CB ASP A 24 11.331 2.028 -5.943 1.00 0.00 C ATOM 323 CG ASP A 24 12.835 2.146 -6.093 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.555 1.830 -5.122 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.292 2.552 -7.182 1.00 0.00 O ATOM 0 H ASP A 24 8.998 1.226 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 24 11.523 0.020 -5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.884 1.847 -6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.930 2.974 -5.580 1.00 0.00 H new ATOM 330 N HIS A 25 12.412 1.077 -3.077 1.00 0.00 N ATOM 331 CA HIS A 25 12.796 1.430 -1.715 1.00 0.00 C ATOM 332 C HIS A 25 13.014 2.935 -1.585 1.00 0.00 C ATOM 333 O HIS A 25 13.105 3.465 -0.478 1.00 0.00 O ATOM 334 CB HIS A 25 14.066 0.682 -1.310 1.00 0.00 C ATOM 335 CG HIS A 25 14.658 1.161 -0.020 1.00 0.00 C ATOM 336 ND1 HIS A 25 16.013 1.155 0.234 1.00 0.00 N ATOM 337 CD2 HIS A 25 14.070 1.663 1.091 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.233 1.632 1.447 1.00 0.00 C ATOM 339 NE2 HIS A 25 15.070 1.948 1.988 1.00 0.00 N ATOM 0 H HIS A 25 13.150 0.630 -3.621 1.00 0.00 H new ATOM 0 HA HIS A 25 11.984 1.139 -1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.840 -0.381 -1.224 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.808 0.787 -2.102 1.00 0.00 H new ATOM 0 HD2 HIS A 25 13.011 1.812 1.244 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.199 1.744 1.916 1.00 0.00 H new ATOM 0 HE2 HIS A 25 14.937 2.340 2.920 1.00 0.00 H new ATOM 347 N ARG A 26 13.098 3.616 -2.723 1.00 0.00 N ATOM 348 CA ARG A 26 13.308 5.059 -2.736 1.00 0.00 C ATOM 349 C ARG A 26 12.046 5.796 -2.296 1.00 0.00 C ATOM 350 O ARG A 26 12.116 6.800 -1.587 1.00 0.00 O ATOM 351 CB ARG A 26 13.721 5.523 -4.134 1.00 0.00 C ATOM 352 CG ARG A 26 14.986 4.856 -4.648 1.00 0.00 C ATOM 353 CD ARG A 26 16.234 5.534 -4.103 1.00 0.00 C ATOM 354 NE ARG A 26 16.585 5.046 -2.772 1.00 0.00 N ATOM 355 CZ ARG A 26 17.669 5.434 -2.109 1.00 0.00 C ATOM 356 NH1 ARG A 26 18.503 6.310 -2.652 1.00 0.00 N ATOM 357 NH2 ARG A 26 17.920 4.945 -0.902 1.00 0.00 N ATOM 0 H ARG A 26 13.024 3.192 -3.648 1.00 0.00 H new ATOM 0 HA ARG A 26 14.108 5.291 -2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.906 5.322 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.870 6.603 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.987 3.805 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.999 4.889 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.067 5.361 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.073 6.611 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 26 15.964 4.370 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.313 6.687 -3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.335 6.607 -2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.281 4.270 -0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.752 5.243 -0.394 1.00 0.00 H new ATOM 371 N VAL A 27 10.893 5.290 -2.722 1.00 0.00 N ATOM 372 CA VAL A 27 9.615 5.899 -2.371 1.00 0.00 C ATOM 373 C VAL A 27 9.011 5.238 -1.137 1.00 0.00 C ATOM 374 O VAL A 27 7.988 5.686 -0.618 1.00 0.00 O ATOM 375 CB VAL A 27 8.610 5.804 -3.535 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.189 6.432 -4.793 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.220 4.355 -3.784 1.00 0.00 C ATOM 0 H VAL A 27 10.817 4.460 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 27 9.813 6.949 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 27 7.711 6.357 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.465 6.355 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.414 7.482 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.104 5.909 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.510 4.306 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.109 3.777 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.761 3.942 -2.886 1.00 0.00 H new ATOM 387 N HIS A 28 9.652 4.171 -0.671 1.00 0.00 N ATOM 388 CA HIS A 28 9.178 3.448 0.504 1.00 0.00 C ATOM 389 C HIS A 28 8.907 4.408 1.659 1.00 0.00 C ATOM 390 O HIS A 28 7.759 4.612 2.052 1.00 0.00 O ATOM 391 CB HIS A 28 10.203 2.397 0.930 1.00 0.00 C ATOM 392 CG HIS A 28 9.995 1.062 0.283 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.574 -0.099 0.750 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.266 0.707 -0.801 1.00 0.00 C ATOM 395 CE1 HIS A 28 10.210 -1.110 -0.018 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.416 -0.648 -0.967 1.00 0.00 N ATOM 0 H HIS A 28 10.500 3.788 -1.088 1.00 0.00 H new ATOM 0 HA HIS A 28 8.245 2.949 0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.203 2.757 0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.161 2.278 2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.676 1.367 -1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.511 -2.140 0.109 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.984 -1.207 -1.703 1.00 0.00 H new ATOM 404 N ALA A 29 9.971 4.993 2.199 1.00 0.00 N ATOM 405 CA ALA A 29 9.848 5.931 3.307 1.00 0.00 C ATOM 406 C ALA A 29 8.941 7.100 2.939 1.00 0.00 C ATOM 407 O ALA A 29 8.073 7.494 3.717 1.00 0.00 O ATOM 408 CB ALA A 29 11.220 6.436 3.727 1.00 0.00 C ATOM 0 H ALA A 29 10.929 4.833 1.886 1.00 0.00 H new ATOM 0 HA ALA A 29 9.395 5.405 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.112 7.136 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.837 5.594 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.695 6.940 2.886 1.00 0.00 H new ATOM 414 N ARG A 30 9.149 7.651 1.747 1.00 0.00 N ATOM 415 CA ARG A 30 8.351 8.777 1.276 1.00 0.00 C ATOM 416 C ARG A 30 6.862 8.507 1.472 1.00 0.00 C ATOM 417 O ARG A 30 6.080 9.429 1.706 1.00 0.00 O ATOM 418 CB ARG A 30 8.641 9.053 -0.200 1.00 0.00 C ATOM 419 CG ARG A 30 9.871 9.916 -0.428 1.00 0.00 C ATOM 420 CD ARG A 30 9.612 11.366 -0.052 1.00 0.00 C ATOM 421 NE ARG A 30 10.851 12.130 0.068 1.00 0.00 N ATOM 422 CZ ARG A 30 10.961 13.243 0.784 1.00 0.00 C ATOM 423 NH1 ARG A 30 9.913 13.719 1.442 1.00 0.00 N ATOM 424 NH2 ARG A 30 12.123 13.883 0.844 1.00 0.00 N ATOM 0 H ARG A 30 9.863 7.336 1.090 1.00 0.00 H new ATOM 0 HA ARG A 30 8.624 9.654 1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.772 8.104 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.776 9.543 -0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.702 9.529 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.168 9.858 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.973 11.827 -0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.070 11.404 0.893 1.00 0.00 H new ATOM 0 HE ARG A 30 11.677 11.790 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.019 13.230 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.001 14.574 1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.932 13.520 0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.207 14.738 1.394 1.00 0.00 H new ATOM 438 N ILE A 31 6.478 7.239 1.373 1.00 0.00 N ATOM 439 CA ILE A 31 5.083 6.849 1.539 1.00 0.00 C ATOM 440 C ILE A 31 4.776 6.512 2.994 1.00 0.00 C ATOM 441 O ILE A 31 3.821 7.029 3.574 1.00 0.00 O ATOM 442 CB ILE A 31 4.729 5.637 0.658 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.853 6.002 -0.823 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.323 5.146 0.972 1.00 0.00 C ATOM 445 CD1 ILE A 31 5.057 4.805 -1.725 1.00 0.00 C ATOM 0 H ILE A 31 7.113 6.464 1.179 1.00 0.00 H new ATOM 0 HA ILE A 31 4.478 7.702 1.230 1.00 0.00 H new ATOM 0 HB ILE A 31 5.431 4.832 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.953 6.533 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.689 6.690 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.088 4.289 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.266 4.852 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.607 5.945 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.137 5.138 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.972 4.286 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.210 4.127 -1.627 1.00 0.00 H new ATOM 457 N ILE A 32 5.594 5.644 3.580 1.00 0.00 N ATOM 458 CA ILE A 32 5.411 5.240 4.969 1.00 0.00 C ATOM 459 C ILE A 32 5.114 6.444 5.856 1.00 0.00 C ATOM 460 O ILE A 32 4.147 6.444 6.616 1.00 0.00 O ATOM 461 CB ILE A 32 6.655 4.511 5.511 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.874 3.199 4.755 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.508 4.251 7.003 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.261 2.622 4.935 1.00 0.00 C ATOM 0 H ILE A 32 6.390 5.207 3.115 1.00 0.00 H new ATOM 0 HA ILE A 32 4.562 4.557 4.991 1.00 0.00 H new ATOM 0 HB ILE A 32 7.527 5.147 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.139 2.468 5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.694 3.367 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.395 3.735 7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.395 5.199 7.528 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.629 3.632 7.179 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.345 1.693 4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.001 3.335 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.438 2.422 5.992 1.00 0.00 H new ATOM 476 N GLY A 33 5.953 7.470 5.753 1.00 0.00 N ATOM 477 CA GLY A 33 5.762 8.668 6.551 1.00 0.00 C ATOM 478 C GLY A 33 6.526 8.620 7.859 1.00 0.00 C ATOM 479 O GLY A 33 6.429 7.648 8.607 1.00 0.00 O ATOM 0 H GLY A 33 6.761 7.493 5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.083 9.538 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.700 8.797 6.759 1.00 0.00 H new ATOM 483 N ALA A 34 7.289 9.672 8.136 1.00 0.00 N ATOM 484 CA ALA A 34 8.072 9.747 9.363 1.00 0.00 C ATOM 485 C ALA A 34 7.333 9.094 10.526 1.00 0.00 C ATOM 486 O ALA A 34 7.811 8.122 11.111 1.00 0.00 O ATOM 487 CB ALA A 34 8.403 11.195 9.691 1.00 0.00 C ATOM 0 H ALA A 34 7.382 10.485 7.527 1.00 0.00 H new ATOM 0 HA ALA A 34 9.002 9.201 9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.988 11.235 10.610 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.979 11.630 8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.479 11.758 9.824 1.00 0.00 H new ATOM 493 N ARG A 35 6.165 9.635 10.857 1.00 0.00 N ATOM 494 CA ARG A 35 5.361 9.106 11.952 1.00 0.00 C ATOM 495 C ARG A 35 4.677 7.805 11.545 1.00 0.00 C ATOM 496 O ARG A 35 4.366 6.964 12.388 1.00 0.00 O ATOM 497 CB ARG A 35 4.312 10.132 12.385 1.00 0.00 C ATOM 498 CG ARG A 35 4.879 11.264 13.228 1.00 0.00 C ATOM 499 CD ARG A 35 5.295 10.777 14.607 1.00 0.00 C ATOM 500 NE ARG A 35 5.558 11.884 15.522 1.00 0.00 N ATOM 501 CZ ARG A 35 4.610 12.679 16.005 1.00 0.00 C ATOM 502 NH1 ARG A 35 3.343 12.489 15.663 1.00 0.00 N ATOM 503 NH2 ARG A 35 4.927 13.666 16.834 1.00 0.00 N ATOM 0 H ARG A 35 5.755 10.439 10.383 1.00 0.00 H new ATOM 0 HA ARG A 35 6.026 8.900 12.791 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.839 10.553 11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.531 9.624 12.951 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.739 11.701 12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.133 12.053 13.329 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.510 10.144 15.020 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.189 10.159 14.519 1.00 0.00 H new ATOM 0 HE ARG A 35 6.522 12.056 15.806 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.094 11.731 15.028 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.617 13.101 16.035 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.900 13.815 17.101 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.198 14.275 17.204 1.00 0.00 H new ATOM 517 N GLY A 36 4.444 7.645 10.246 1.00 0.00 N ATOM 518 CA GLY A 36 3.798 6.445 9.749 1.00 0.00 C ATOM 519 C GLY A 36 2.307 6.630 9.549 1.00 0.00 C ATOM 520 O GLY A 36 1.546 5.662 9.559 1.00 0.00 O ATOM 0 H GLY A 36 4.692 8.326 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.255 6.155 8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.969 5.627 10.449 1.00 0.00 H new ATOM 524 N LYS A 37 1.886 7.877 9.367 1.00 0.00 N ATOM 525 CA LYS A 37 0.476 8.187 9.163 1.00 0.00 C ATOM 526 C LYS A 37 0.116 8.139 7.682 1.00 0.00 C ATOM 527 O LYS A 37 -0.963 7.678 7.310 1.00 0.00 O ATOM 528 CB LYS A 37 0.149 9.569 9.733 1.00 0.00 C ATOM 529 CG LYS A 37 -1.340 9.859 9.812 1.00 0.00 C ATOM 530 CD LYS A 37 -1.943 9.331 11.103 1.00 0.00 C ATOM 531 CE LYS A 37 -3.412 9.703 11.225 1.00 0.00 C ATOM 532 NZ LYS A 37 -4.282 8.805 10.416 1.00 0.00 N ATOM 0 H LYS A 37 2.502 8.690 9.357 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.114 7.435 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.580 9.652 10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.626 10.330 9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.506 10.934 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.846 9.404 8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.837 8.247 11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.393 9.733 11.954 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.713 9.654 12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.553 10.734 10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.275 9.092 10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.012 8.871 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.167 7.824 10.742 1.00 0.00 H new ATOM 546 N ALA A 38 1.028 8.615 6.840 1.00 0.00 N ATOM 547 CA ALA A 38 0.808 8.622 5.399 1.00 0.00 C ATOM 548 C ALA A 38 0.398 7.241 4.900 1.00 0.00 C ATOM 549 O ALA A 38 -0.381 7.119 3.954 1.00 0.00 O ATOM 550 CB ALA A 38 2.060 9.097 4.677 1.00 0.00 C ATOM 0 H ALA A 38 1.926 9.001 7.131 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.007 9.313 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.882 9.097 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.308 10.107 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.889 8.428 4.907 1.00 0.00 H new ATOM 556 N ILE A 39 0.928 6.204 5.540 1.00 0.00 N ATOM 557 CA ILE A 39 0.616 4.832 5.160 1.00 0.00 C ATOM 558 C ILE A 39 -0.704 4.377 5.775 1.00 0.00 C ATOM 559 O ILE A 39 -1.415 3.551 5.202 1.00 0.00 O ATOM 560 CB ILE A 39 1.731 3.861 5.591 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.320 2.416 5.300 1.00 0.00 C ATOM 562 CG2 ILE A 39 2.047 4.040 7.069 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.182 2.113 3.825 1.00 0.00 C ATOM 0 H ILE A 39 1.575 6.288 6.324 1.00 0.00 H new ATOM 0 HA ILE A 39 0.532 4.817 4.073 1.00 0.00 H new ATOM 0 HB ILE A 39 2.630 4.086 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.059 1.742 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.371 2.210 5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.837 3.347 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.378 5.063 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.153 3.839 7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.889 1.071 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.422 2.762 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.136 2.287 3.327 1.00 0.00 H new ATOM 575 N ARG A 40 -1.026 4.925 6.942 1.00 0.00 N ATOM 576 CA ARG A 40 -2.261 4.576 7.634 1.00 0.00 C ATOM 577 C ARG A 40 -3.479 4.979 6.809 1.00 0.00 C ATOM 578 O ARG A 40 -4.332 4.149 6.494 1.00 0.00 O ATOM 579 CB ARG A 40 -2.312 5.256 9.004 1.00 0.00 C ATOM 580 CG ARG A 40 -3.492 4.819 9.857 1.00 0.00 C ATOM 581 CD ARG A 40 -3.275 3.431 10.439 1.00 0.00 C ATOM 582 NE ARG A 40 -2.358 3.451 11.576 1.00 0.00 N ATOM 583 CZ ARG A 40 -1.866 2.355 12.143 1.00 0.00 C ATOM 584 NH1 ARG A 40 -2.200 1.158 11.680 1.00 0.00 N ATOM 585 NH2 ARG A 40 -1.038 2.455 13.174 1.00 0.00 N ATOM 0 H ARG A 40 -0.449 5.612 7.428 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.278 3.495 7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.388 5.043 9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.357 6.336 8.863 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.642 5.534 10.666 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.400 4.824 9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.233 3.016 10.753 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.880 2.772 9.666 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.080 4.356 11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.836 1.077 10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.821 0.318 12.117 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.778 3.374 13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.661 1.613 13.609 1.00 0.00 H new ATOM 599 N LYS A 41 -3.554 6.260 6.461 1.00 0.00 N ATOM 600 CA LYS A 41 -4.667 6.774 5.671 1.00 0.00 C ATOM 601 C LYS A 41 -4.915 5.900 4.446 1.00 0.00 C ATOM 602 O LYS A 41 -6.060 5.581 4.122 1.00 0.00 O ATOM 603 CB LYS A 41 -4.386 8.214 5.234 1.00 0.00 C ATOM 604 CG LYS A 41 -3.200 8.344 4.294 1.00 0.00 C ATOM 605 CD LYS A 41 -2.941 9.794 3.920 1.00 0.00 C ATOM 606 CE LYS A 41 -3.743 10.205 2.695 1.00 0.00 C ATOM 607 NZ LYS A 41 -5.164 10.493 3.034 1.00 0.00 N ATOM 0 H LYS A 41 -2.857 6.961 6.714 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.561 6.757 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.273 8.616 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.206 8.825 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.312 7.925 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.385 7.762 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.200 10.439 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.878 9.936 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.291 11.089 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.701 9.410 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.477 11.344 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.758 9.685 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.251 10.651 4.058 1.00 0.00 H new ATOM 621 N ILE A 42 -3.838 5.514 3.772 1.00 0.00 N ATOM 622 CA ILE A 42 -3.940 4.674 2.585 1.00 0.00 C ATOM 623 C ILE A 42 -4.625 3.349 2.906 1.00 0.00 C ATOM 624 O ILE A 42 -5.570 2.947 2.229 1.00 0.00 O ATOM 625 CB ILE A 42 -2.555 4.388 1.976 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.934 5.679 1.438 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.666 3.347 0.872 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.466 5.548 1.100 1.00 0.00 C ATOM 0 H ILE A 42 -2.884 5.769 4.027 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.540 5.225 1.860 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.906 3.992 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.478 5.990 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.059 6.469 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.679 3.156 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.071 2.422 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.328 3.716 0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.093 6.501 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.090 5.268 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.335 4.781 0.337 1.00 0.00 H new ATOM 640 N MET A 43 -4.141 2.677 3.946 1.00 0.00 N ATOM 641 CA MET A 43 -4.709 1.399 4.359 1.00 0.00 C ATOM 642 C MET A 43 -6.214 1.518 4.578 1.00 0.00 C ATOM 643 O MET A 43 -6.998 0.788 3.972 1.00 0.00 O ATOM 644 CB MET A 43 -4.032 0.906 5.640 1.00 0.00 C ATOM 645 CG MET A 43 -2.693 0.230 5.398 1.00 0.00 C ATOM 646 SD MET A 43 -2.096 -0.665 6.845 1.00 0.00 S ATOM 647 CE MET A 43 -0.943 0.524 7.527 1.00 0.00 C ATOM 0 H MET A 43 -3.358 2.996 4.517 1.00 0.00 H new ATOM 0 HA MET A 43 -4.532 0.677 3.562 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.887 1.751 6.313 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.697 0.206 6.146 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.785 -0.461 4.560 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.957 0.982 5.111 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.923 0.430 8.613 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.054 0.334 7.128 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.257 1.532 7.256 1.00 0.00 H new ATOM 657 N ASP A 44 -6.609 2.440 5.449 1.00 0.00 N ATOM 658 CA ASP A 44 -8.020 2.654 5.747 1.00 0.00 C ATOM 659 C ASP A 44 -8.796 3.007 4.482 1.00 0.00 C ATOM 660 O ASP A 44 -9.865 2.454 4.224 1.00 0.00 O ATOM 661 CB ASP A 44 -8.181 3.766 6.785 1.00 0.00 C ATOM 662 CG ASP A 44 -7.780 3.321 8.178 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.354 2.327 8.672 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.891 3.964 8.773 1.00 0.00 O ATOM 0 H ASP A 44 -5.972 3.051 5.961 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.424 1.727 6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.575 4.623 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.219 4.099 6.798 1.00 0.00 H new ATOM 669 N GLU A 45 -8.251 3.932 3.698 1.00 0.00 N ATOM 670 CA GLU A 45 -8.893 4.359 2.461 1.00 0.00 C ATOM 671 C GLU A 45 -9.518 3.171 1.734 1.00 0.00 C ATOM 672 O GLU A 45 -10.662 3.236 1.284 1.00 0.00 O ATOM 673 CB GLU A 45 -7.881 5.055 1.548 1.00 0.00 C ATOM 674 CG GLU A 45 -8.486 5.579 0.256 1.00 0.00 C ATOM 675 CD GLU A 45 -9.331 6.820 0.469 1.00 0.00 C ATOM 676 OE1 GLU A 45 -10.503 6.678 0.876 1.00 0.00 O ATOM 677 OE2 GLU A 45 -8.819 7.933 0.228 1.00 0.00 O ATOM 0 H GLU A 45 -7.367 4.400 3.898 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.684 5.063 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.427 5.885 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.081 4.355 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.687 5.805 -0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.099 4.800 -0.196 1.00 0.00 H new ATOM 684 N PHE A 46 -8.757 2.088 1.622 1.00 0.00 N ATOM 685 CA PHE A 46 -9.234 0.885 0.948 1.00 0.00 C ATOM 686 C PHE A 46 -9.477 -0.239 1.950 1.00 0.00 C ATOM 687 O PHE A 46 -9.891 -1.338 1.580 1.00 0.00 O ATOM 688 CB PHE A 46 -8.224 0.433 -0.109 1.00 0.00 C ATOM 689 CG PHE A 46 -7.749 1.545 -0.999 1.00 0.00 C ATOM 690 CD1 PHE A 46 -8.457 1.886 -2.141 1.00 0.00 C ATOM 691 CD2 PHE A 46 -6.595 2.249 -0.695 1.00 0.00 C ATOM 692 CE1 PHE A 46 -8.021 2.909 -2.962 1.00 0.00 C ATOM 693 CE2 PHE A 46 -6.155 3.273 -1.512 1.00 0.00 C ATOM 694 CZ PHE A 46 -6.870 3.604 -2.647 1.00 0.00 C ATOM 0 H PHE A 46 -7.808 2.018 1.989 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.179 1.122 0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.364 -0.015 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.677 -0.345 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.359 1.347 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.033 1.994 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.580 3.165 -3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.254 3.814 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.529 4.405 -3.287 1.00 0.00 H new ATOM 704 N LYS A 47 -9.216 0.043 3.222 1.00 0.00 N ATOM 705 CA LYS A 47 -9.407 -0.942 4.280 1.00 0.00 C ATOM 706 C LYS A 47 -8.518 -2.162 4.054 1.00 0.00 C ATOM 707 O LYS A 47 -8.962 -3.301 4.198 1.00 0.00 O ATOM 708 CB LYS A 47 -10.874 -1.373 4.346 1.00 0.00 C ATOM 709 CG LYS A 47 -11.828 -0.234 4.661 1.00 0.00 C ATOM 710 CD LYS A 47 -11.768 0.154 6.129 1.00 0.00 C ATOM 711 CE LYS A 47 -12.656 1.352 6.426 1.00 0.00 C ATOM 712 NZ LYS A 47 -11.945 2.640 6.195 1.00 0.00 N ATOM 0 H LYS A 47 -8.871 0.947 3.545 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.128 -0.480 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.156 -1.819 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.983 -2.148 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.580 0.630 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.845 -0.528 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.079 -0.691 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.739 0.386 6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.545 1.310 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.995 1.305 7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.625 3.359 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.500 2.955 7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.213 2.507 5.468 1.00 0.00 H new ATOM 726 N VAL A 48 -7.261 -1.914 3.700 1.00 0.00 N ATOM 727 CA VAL A 48 -6.309 -2.992 3.457 1.00 0.00 C ATOM 728 C VAL A 48 -5.144 -2.928 4.438 1.00 0.00 C ATOM 729 O VAL A 48 -5.042 -1.996 5.236 1.00 0.00 O ATOM 730 CB VAL A 48 -5.759 -2.941 2.020 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.875 -3.169 1.012 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.061 -1.614 1.763 1.00 0.00 C ATOM 0 H VAL A 48 -6.878 -0.977 3.575 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.848 -3.929 3.599 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.027 -3.740 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.467 -3.129 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.326 -4.147 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.633 -2.395 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.679 -1.596 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.770 -0.797 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.234 -1.497 2.463 1.00 0.00 H new ATOM 742 N ASP A 49 -4.267 -3.923 4.373 1.00 0.00 N ATOM 743 CA ASP A 49 -3.107 -3.980 5.254 1.00 0.00 C ATOM 744 C ASP A 49 -1.815 -4.068 4.447 1.00 0.00 C ATOM 745 O ASP A 49 -1.436 -5.143 3.981 1.00 0.00 O ATOM 746 CB ASP A 49 -3.215 -5.177 6.199 1.00 0.00 C ATOM 747 CG ASP A 49 -4.165 -4.921 7.352 1.00 0.00 C ATOM 748 OD1 ASP A 49 -3.889 -4.006 8.156 1.00 0.00 O ATOM 749 OD2 ASP A 49 -5.185 -5.635 7.452 1.00 0.00 O ATOM 0 H ASP A 49 -4.337 -4.702 3.718 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.085 -3.063 5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.554 -6.049 5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.227 -5.416 6.592 1.00 0.00 H new ATOM 754 N ILE A 50 -1.145 -2.932 4.286 1.00 0.00 N ATOM 755 CA ILE A 50 0.104 -2.882 3.536 1.00 0.00 C ATOM 756 C ILE A 50 1.287 -3.284 4.410 1.00 0.00 C ATOM 757 O ILE A 50 1.424 -2.815 5.540 1.00 0.00 O ATOM 758 CB ILE A 50 0.359 -1.476 2.961 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.787 -1.065 2.034 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.686 -1.441 2.218 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.761 0.399 1.653 1.00 0.00 C ATOM 0 H ILE A 50 -1.446 -2.034 4.665 1.00 0.00 H new ATOM 0 HA ILE A 50 0.007 -3.590 2.713 1.00 0.00 H new ATOM 0 HB ILE A 50 0.407 -0.765 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.745 -1.669 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.736 -1.288 2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.852 -0.441 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.494 -1.696 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.664 -2.161 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.602 0.619 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.834 1.010 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.172 0.624 1.137 1.00 0.00 H new ATOM 773 N ARG A 51 2.140 -4.154 3.878 1.00 0.00 N ATOM 774 CA ARG A 51 3.312 -4.618 4.610 1.00 0.00 C ATOM 775 C ARG A 51 4.586 -4.372 3.807 1.00 0.00 C ATOM 776 O ARG A 51 4.729 -4.857 2.685 1.00 0.00 O ATOM 777 CB ARG A 51 3.180 -6.108 4.933 1.00 0.00 C ATOM 778 CG ARG A 51 4.147 -6.586 6.004 1.00 0.00 C ATOM 779 CD ARG A 51 3.699 -6.154 7.392 1.00 0.00 C ATOM 780 NE ARG A 51 4.382 -6.901 8.445 1.00 0.00 N ATOM 781 CZ ARG A 51 4.129 -6.744 9.739 1.00 0.00 C ATOM 782 NH1 ARG A 51 3.212 -5.874 10.139 1.00 0.00 N ATOM 783 NH2 ARG A 51 4.793 -7.461 10.638 1.00 0.00 N ATOM 0 H ARG A 51 2.041 -4.551 2.944 1.00 0.00 H new ATOM 0 HA ARG A 51 3.375 -4.055 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.160 -6.312 5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.345 -6.685 4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.224 -7.673 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.142 -6.189 5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.892 -5.089 7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.623 -6.297 7.486 1.00 0.00 H new ATOM 0 HE ARG A 51 5.092 -7.580 8.171 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.698 -5.323 9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.020 -5.756 11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.498 -8.133 10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.598 -7.340 11.632 1.00 0.00 H new ATOM 797 N PHE A 52 5.509 -3.615 4.390 1.00 0.00 N ATOM 798 CA PHE A 52 6.771 -3.302 3.729 1.00 0.00 C ATOM 799 C PHE A 52 7.848 -4.316 4.105 1.00 0.00 C ATOM 800 O PHE A 52 7.814 -4.928 5.173 1.00 0.00 O ATOM 801 CB PHE A 52 7.231 -1.891 4.102 1.00 0.00 C ATOM 802 CG PHE A 52 6.426 -0.806 3.447 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.286 -0.307 4.057 1.00 0.00 C ATOM 804 CD2 PHE A 52 6.809 -0.284 2.223 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.543 0.692 3.456 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.070 0.715 1.617 1.00 0.00 C ATOM 807 CZ PHE A 52 4.936 1.204 2.236 1.00 0.00 C ATOM 0 H PHE A 52 5.407 -3.207 5.319 1.00 0.00 H new ATOM 0 HA PHE A 52 6.610 -3.351 2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.173 -1.773 5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.278 -1.774 3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.975 -0.703 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.696 -0.662 1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.656 1.072 3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.379 1.112 0.661 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.358 1.986 1.766 1.00 0.00 H new ATOM 817 N PRO A 53 8.827 -4.499 3.207 1.00 0.00 N ATOM 818 CA PRO A 53 9.932 -5.438 3.421 1.00 0.00 C ATOM 819 C PRO A 53 10.888 -4.969 4.512 1.00 0.00 C ATOM 820 O PRO A 53 11.555 -3.945 4.367 1.00 0.00 O ATOM 821 CB PRO A 53 10.641 -5.466 2.065 1.00 0.00 C ATOM 822 CG PRO A 53 10.313 -4.155 1.438 1.00 0.00 C ATOM 823 CD PRO A 53 8.930 -3.804 1.913 1.00 0.00 C ATOM 0 HA PRO A 53 9.579 -6.414 3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.717 -5.590 2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.290 -6.296 1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.032 -3.391 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.347 -4.223 0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.805 -2.727 2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.167 -4.143 1.213 1.00 0.00 H new ATOM 831 N GLN A 54 10.949 -5.725 5.604 1.00 0.00 N ATOM 832 CA GLN A 54 11.824 -5.385 6.720 1.00 0.00 C ATOM 833 C GLN A 54 13.289 -5.570 6.339 1.00 0.00 C ATOM 834 O GLN A 54 13.605 -5.924 5.203 1.00 0.00 O ATOM 835 CB GLN A 54 11.489 -6.246 7.939 1.00 0.00 C ATOM 836 CG GLN A 54 10.049 -6.104 8.407 1.00 0.00 C ATOM 837 CD GLN A 54 9.803 -4.807 9.152 1.00 0.00 C ATOM 838 OE1 GLN A 54 9.356 -3.819 8.570 1.00 0.00 O ATOM 839 NE2 GLN A 54 10.094 -4.805 10.448 1.00 0.00 N ATOM 0 H GLN A 54 10.403 -6.576 5.739 1.00 0.00 H new ATOM 0 HA GLN A 54 11.662 -4.336 6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.683 -7.291 7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.157 -5.977 8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.384 -6.155 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.797 -6.944 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.463 -5.647 10.889 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.949 -3.961 11.002 1.00 0.00 H new ATOM 848 N SER A 55 14.179 -5.328 7.296 1.00 0.00 N ATOM 849 CA SER A 55 15.612 -5.464 7.059 1.00 0.00 C ATOM 850 C SER A 55 15.953 -6.875 6.591 1.00 0.00 C ATOM 851 O SER A 55 16.795 -7.064 5.713 1.00 0.00 O ATOM 852 CB SER A 55 16.394 -5.134 8.332 1.00 0.00 C ATOM 853 OG SER A 55 16.537 -3.734 8.494 1.00 0.00 O ATOM 0 H SER A 55 13.934 -5.037 8.242 1.00 0.00 H new ATOM 0 HA SER A 55 15.894 -4.761 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.880 -5.553 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.378 -5.601 8.289 1.00 0.00 H new ATOM 0 HG SER A 55 17.039 -3.549 9.315 1.00 0.00 H new ATOM 859 N GLY A 56 15.293 -7.865 7.183 1.00 0.00 N ATOM 860 CA GLY A 56 15.539 -9.247 6.815 1.00 0.00 C ATOM 861 C GLY A 56 14.518 -9.774 5.826 1.00 0.00 C ATOM 862 O GLY A 56 13.988 -10.871 5.997 1.00 0.00 O ATOM 0 H GLY A 56 14.591 -7.735 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.536 -9.333 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.525 -9.867 7.712 1.00 0.00 H new ATOM 866 N ALA A 57 14.242 -8.990 4.789 1.00 0.00 N ATOM 867 CA ALA A 57 13.278 -9.385 3.769 1.00 0.00 C ATOM 868 C ALA A 57 13.980 -9.792 2.478 1.00 0.00 C ATOM 869 O ALA A 57 15.019 -9.243 2.108 1.00 0.00 O ATOM 870 CB ALA A 57 12.297 -8.252 3.503 1.00 0.00 C ATOM 0 H ALA A 57 14.672 -8.078 4.633 1.00 0.00 H new ATOM 0 HA ALA A 57 12.727 -10.249 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.583 -8.561 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.763 -8.010 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.841 -7.373 3.157 1.00 0.00 H new ATOM 876 N PRO A 58 13.403 -10.778 1.775 1.00 0.00 N ATOM 877 CA PRO A 58 13.958 -11.281 0.515 1.00 0.00 C ATOM 878 C PRO A 58 13.834 -10.268 -0.618 1.00 0.00 C ATOM 879 O PRO A 58 14.707 -10.178 -1.482 1.00 0.00 O ATOM 880 CB PRO A 58 13.106 -12.518 0.221 1.00 0.00 C ATOM 881 CG PRO A 58 11.817 -12.267 0.925 1.00 0.00 C ATOM 882 CD PRO A 58 12.165 -11.478 2.157 1.00 0.00 C ATOM 0 HA PRO A 58 15.025 -11.490 0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.953 -12.648 -0.850 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.586 -13.426 0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.126 -11.713 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.327 -13.204 1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.373 -10.778 2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.320 -12.127 3.019 1.00 0.00 H new ATOM 890 N ASP A 59 12.745 -9.507 -0.608 1.00 0.00 N ATOM 891 CA ASP A 59 12.508 -8.498 -1.635 1.00 0.00 C ATOM 892 C ASP A 59 12.303 -7.123 -1.008 1.00 0.00 C ATOM 893 O ASP A 59 11.188 -6.730 -0.663 1.00 0.00 O ATOM 894 CB ASP A 59 11.289 -8.875 -2.478 1.00 0.00 C ATOM 895 CG ASP A 59 10.202 -9.543 -1.658 1.00 0.00 C ATOM 896 OD1 ASP A 59 9.782 -8.956 -0.638 1.00 0.00 O ATOM 897 OD2 ASP A 59 9.771 -10.652 -2.036 1.00 0.00 O ATOM 0 H ASP A 59 12.013 -9.569 0.099 1.00 0.00 H new ATOM 0 HA ASP A 59 13.386 -8.456 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.886 -7.979 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.599 -9.545 -3.280 1.00 0.00 H new ATOM 902 N PRO A 60 13.404 -6.372 -0.855 1.00 0.00 N ATOM 903 CA PRO A 60 13.371 -5.029 -0.268 1.00 0.00 C ATOM 904 C PRO A 60 12.687 -4.015 -1.179 1.00 0.00 C ATOM 905 O PRO A 60 12.548 -2.845 -0.827 1.00 0.00 O ATOM 906 CB PRO A 60 14.851 -4.680 -0.096 1.00 0.00 C ATOM 907 CG PRO A 60 15.555 -5.502 -1.120 1.00 0.00 C ATOM 908 CD PRO A 60 14.766 -6.776 -1.243 1.00 0.00 C ATOM 0 HA PRO A 60 12.803 -5.005 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.028 -3.616 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.199 -4.916 0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.602 -4.979 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.582 -5.707 -0.817 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.794 -7.170 -2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.156 -7.555 -0.588 1.00 0.00 H new ATOM 916 N ASN A 61 12.262 -4.473 -2.352 1.00 0.00 N ATOM 917 CA ASN A 61 11.592 -3.605 -3.314 1.00 0.00 C ATOM 918 C ASN A 61 10.177 -4.098 -3.598 1.00 0.00 C ATOM 919 O ASN A 61 9.538 -3.662 -4.557 1.00 0.00 O ATOM 920 CB ASN A 61 12.392 -3.540 -4.617 1.00 0.00 C ATOM 921 CG ASN A 61 13.090 -4.849 -4.933 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.471 -5.913 -4.925 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.386 -4.776 -5.213 1.00 0.00 N ATOM 0 H ASN A 61 12.369 -5.440 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 61 11.530 -2.606 -2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.724 -3.280 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.133 -2.744 -4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.909 -5.624 -5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.859 -3.872 -5.208 1.00 0.00 H new ATOM 930 N CYS A 62 9.693 -5.006 -2.759 1.00 0.00 N ATOM 931 CA CYS A 62 8.353 -5.559 -2.919 1.00 0.00 C ATOM 932 C CYS A 62 7.550 -5.420 -1.629 1.00 0.00 C ATOM 933 O CYS A 62 8.100 -5.502 -0.531 1.00 0.00 O ATOM 934 CB CYS A 62 8.430 -7.030 -3.330 1.00 0.00 C ATOM 935 SG CYS A 62 6.839 -7.751 -3.795 1.00 0.00 S ATOM 0 H CYS A 62 10.209 -5.375 -1.960 1.00 0.00 H new ATOM 0 HA CYS A 62 7.847 -4.997 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.119 -7.126 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.850 -7.605 -2.505 1.00 0.00 H new ATOM 0 HG CYS A 62 7.008 -8.996 -4.129 1.00 0.00 H new ATOM 941 N VAL A 63 6.245 -5.207 -1.771 1.00 0.00 N ATOM 942 CA VAL A 63 5.366 -5.056 -0.617 1.00 0.00 C ATOM 943 C VAL A 63 4.201 -6.038 -0.682 1.00 0.00 C ATOM 944 O VAL A 63 3.731 -6.392 -1.764 1.00 0.00 O ATOM 945 CB VAL A 63 4.810 -3.623 -0.519 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.940 -2.625 -0.317 1.00 0.00 C ATOM 947 CG2 VAL A 63 4.000 -3.280 -1.760 1.00 0.00 C ATOM 0 H VAL A 63 5.774 -5.135 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 63 5.966 -5.266 0.268 1.00 0.00 H new ATOM 0 HB VAL A 63 4.148 -3.567 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.528 -1.618 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.474 -2.861 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.629 -2.680 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.615 -2.264 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.637 -3.353 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.167 -3.977 -1.855 1.00 0.00 H new ATOM 957 N THR A 64 3.737 -6.475 0.484 1.00 0.00 N ATOM 958 CA THR A 64 2.627 -7.417 0.561 1.00 0.00 C ATOM 959 C THR A 64 1.364 -6.736 1.076 1.00 0.00 C ATOM 960 O THR A 64 1.301 -6.313 2.230 1.00 0.00 O ATOM 961 CB THR A 64 2.964 -8.609 1.477 1.00 0.00 C ATOM 962 OG1 THR A 64 4.107 -9.308 0.970 1.00 0.00 O ATOM 963 CG2 THR A 64 1.784 -9.563 1.579 1.00 0.00 C ATOM 0 H THR A 64 4.113 -6.192 1.389 1.00 0.00 H new ATOM 0 HA THR A 64 2.453 -7.784 -0.450 1.00 0.00 H new ATOM 0 HB THR A 64 3.186 -8.223 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.316 -10.063 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.045 -10.397 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.924 -9.035 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.536 -9.942 0.588 1.00 0.00 H new ATOM 971 N VAL A 65 0.358 -6.635 0.213 1.00 0.00 N ATOM 972 CA VAL A 65 -0.905 -6.008 0.581 1.00 0.00 C ATOM 973 C VAL A 65 -2.001 -7.050 0.772 1.00 0.00 C ATOM 974 O VAL A 65 -2.233 -7.891 -0.097 1.00 0.00 O ATOM 975 CB VAL A 65 -1.359 -4.991 -0.484 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.636 -4.292 -0.045 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.255 -3.981 -0.759 1.00 0.00 C ATOM 0 H VAL A 65 0.394 -6.980 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.736 -5.486 1.523 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.568 -5.528 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.941 -3.578 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.425 -5.031 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.459 -3.766 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.592 -3.270 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.013 -3.447 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.632 -4.501 -1.121 1.00 0.00 H new ATOM 987 N THR A 66 -2.675 -6.989 1.917 1.00 0.00 N ATOM 988 CA THR A 66 -3.747 -7.928 2.223 1.00 0.00 C ATOM 989 C THR A 66 -5.112 -7.258 2.115 1.00 0.00 C ATOM 990 O THR A 66 -5.231 -6.042 2.259 1.00 0.00 O ATOM 991 CB THR A 66 -3.588 -8.520 3.637 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.207 -8.785 3.905 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.394 -9.802 3.780 1.00 0.00 C ATOM 0 H THR A 66 -2.497 -6.299 2.647 1.00 0.00 H new ATOM 0 HA THR A 66 -3.682 -8.733 1.491 1.00 0.00 H new ATOM 0 HB THR A 66 -3.963 -7.792 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.115 -9.159 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.266 -10.202 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.449 -9.590 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.045 -10.534 3.052 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.142 -8.060 1.862 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.486 -7.526 1.740 1.00 0.00 C ATOM 1003 C GLY A 67 -8.179 -7.985 0.472 1.00 0.00 C ATOM 1004 O GLY A 67 -7.533 -8.479 -0.454 1.00 0.00 O ATOM 0 H GLY A 67 -6.070 -9.070 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.075 -7.833 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.444 -6.437 1.753 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.496 -7.824 0.429 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.279 -8.226 -0.735 1.00 0.00 C ATOM 1010 C LEU A 68 -9.575 -7.829 -2.029 1.00 0.00 C ATOM 1011 O LEU A 68 -8.836 -6.845 -2.085 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.670 -7.593 -0.683 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.643 -8.192 0.333 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.710 -9.704 0.181 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.234 -7.814 1.750 1.00 0.00 C ATOM 0 H LEU A 68 -10.045 -7.418 1.187 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.380 -9.311 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.556 -6.531 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.119 -7.668 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.635 -7.784 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.407 -10.113 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.050 -9.954 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.720 -10.130 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.938 -8.249 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.232 -8.193 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.239 -6.729 1.853 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.809 -8.610 -3.094 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.208 -8.357 -4.407 1.00 0.00 C ATOM 1029 C PRO A 69 -9.777 -7.109 -5.074 1.00 0.00 C ATOM 1030 O PRO A 69 -9.237 -6.626 -6.069 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.576 -9.607 -5.211 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.810 -10.127 -4.560 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.678 -9.798 -3.098 1.00 0.00 C ATOM 0 HA PRO A 69 -8.135 -8.178 -4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.753 -9.365 -6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.774 -10.345 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.700 -9.664 -4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.907 -11.202 -4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.647 -9.589 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.235 -10.622 -2.539 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.869 -6.592 -4.520 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.509 -5.400 -5.062 1.00 0.00 C ATOM 1043 C GLU A 70 -10.952 -4.138 -4.410 1.00 0.00 C ATOM 1044 O GLU A 70 -10.916 -3.073 -5.025 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.024 -5.469 -4.855 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.440 -5.448 -3.394 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.936 -5.618 -3.211 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.689 -4.710 -3.619 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.352 -6.658 -2.659 1.00 0.00 O ATOM 0 H GLU A 70 -11.329 -6.980 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.297 -5.359 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.491 -4.629 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.405 -6.379 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.920 -6.243 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.128 -4.505 -2.945 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.521 -4.267 -3.159 1.00 0.00 N ATOM 1057 CA ASN A 71 -9.966 -3.138 -2.422 1.00 0.00 C ATOM 1058 C ASN A 71 -8.471 -2.993 -2.690 1.00 0.00 C ATOM 1059 O ASN A 71 -7.960 -1.883 -2.838 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.212 -3.311 -0.922 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.617 -2.908 -0.516 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.116 -1.860 -0.925 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.260 -3.741 0.294 1.00 0.00 N ATOM 0 H ASN A 71 -10.546 -5.142 -2.635 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.467 -2.232 -2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.042 -4.352 -0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.490 -2.712 -0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.207 -3.523 0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.806 -4.599 0.608 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.775 -4.124 -2.753 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.339 -4.125 -3.006 1.00 0.00 C ATOM 1072 C VAL A 72 -6.017 -3.476 -4.347 1.00 0.00 C ATOM 1073 O VAL A 72 -5.224 -2.537 -4.418 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.767 -5.555 -2.989 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.308 -5.551 -3.418 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.924 -6.175 -1.609 1.00 0.00 C ATOM 0 H VAL A 72 -8.183 -5.051 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.876 -3.547 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.328 -6.161 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.921 -6.570 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.227 -5.150 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.729 -4.931 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.515 -7.185 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.389 -5.571 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.981 -6.214 -1.346 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.637 -3.982 -5.408 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.415 -3.451 -6.748 1.00 0.00 C ATOM 1088 C GLU A 73 -6.417 -1.925 -6.735 1.00 0.00 C ATOM 1089 O GLU A 73 -5.537 -1.289 -7.313 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.488 -3.966 -7.709 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.872 -3.401 -7.435 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.933 -3.988 -8.346 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -10.344 -5.143 -8.111 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.351 -3.291 -9.294 1.00 0.00 O ATOM 0 H GLU A 73 -7.297 -4.759 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.438 -3.793 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.199 -3.717 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.529 -5.053 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.141 -3.597 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.850 -2.318 -7.560 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.414 -1.346 -6.072 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.531 0.105 -5.986 1.00 0.00 C ATOM 1103 C GLU A 74 -6.372 0.698 -5.189 1.00 0.00 C ATOM 1104 O GLU A 74 -5.833 1.746 -5.545 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.862 0.493 -5.337 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.045 0.422 -6.287 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.103 1.604 -7.236 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -9.819 2.736 -6.792 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -10.432 1.396 -8.423 1.00 0.00 O ATOM 0 H GLU A 74 -8.151 -1.859 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.497 0.508 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.048 -0.165 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.783 1.506 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.987 -0.501 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.968 0.379 -5.709 1.00 0.00 H new ATOM 1116 N ALA A 75 -5.995 0.020 -4.110 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.900 0.479 -3.264 1.00 0.00 C ATOM 1118 C ALA A 75 -3.596 0.557 -4.050 1.00 0.00 C ATOM 1119 O ALA A 75 -2.858 1.538 -3.948 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.741 -0.441 -2.063 1.00 0.00 C ATOM 0 H ALA A 75 -6.431 -0.849 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.141 1.481 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.920 -0.087 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.663 -0.443 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.526 -1.453 -2.406 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.317 -0.481 -4.831 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.101 -0.528 -5.633 1.00 0.00 C ATOM 1128 C ILE A 76 -1.965 0.720 -6.498 1.00 0.00 C ATOM 1129 O ILE A 76 -0.981 1.453 -6.398 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.073 -1.773 -6.540 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.088 -3.048 -5.693 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.849 -1.744 -7.442 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.203 -4.315 -6.511 1.00 0.00 C ATOM 0 H ILE A 76 -3.917 -1.301 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.265 -0.577 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.963 -1.766 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.175 -3.090 -5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.922 -3.000 -4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.844 -2.630 -8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.878 -0.851 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.053 -1.730 -6.831 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.208 -5.178 -5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.129 -4.294 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.355 -4.386 -7.192 1.00 0.00 H new ATOM 1145 N ASP A 77 -2.959 0.957 -7.347 1.00 0.00 N ATOM 1146 CA ASP A 77 -2.952 2.119 -8.228 1.00 0.00 C ATOM 1147 C ASP A 77 -2.526 3.373 -7.471 1.00 0.00 C ATOM 1148 O ASP A 77 -1.794 4.210 -7.998 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.336 2.326 -8.845 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.311 3.293 -10.012 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.320 3.280 -10.772 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.282 4.062 -10.167 1.00 0.00 O ATOM 0 H ASP A 77 -3.780 0.360 -7.444 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.231 1.935 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.728 1.366 -9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.019 2.700 -8.082 1.00 0.00 H new ATOM 1157 N HIS A 78 -2.990 3.496 -6.231 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.658 4.648 -5.401 1.00 0.00 C ATOM 1159 C HIS A 78 -1.187 4.620 -4.997 1.00 0.00 C ATOM 1160 O HIS A 78 -0.512 5.650 -5.004 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.541 4.677 -4.154 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.194 5.777 -3.199 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.077 6.777 -2.851 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.053 6.031 -2.518 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.494 7.600 -1.997 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.264 7.169 -1.778 1.00 0.00 N ATOM 0 H HIS A 78 -3.597 2.812 -5.779 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.839 5.550 -5.986 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.582 4.787 -4.459 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.459 3.720 -3.638 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.032 6.868 -3.199 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.145 5.447 -2.550 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -3.946 8.475 -1.554 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.698 3.436 -4.645 1.00 0.00 N ATOM 1175 CA ILE A 79 0.693 3.275 -4.238 1.00 0.00 C ATOM 1176 C ILE A 79 1.644 3.668 -5.363 1.00 0.00 C ATOM 1177 O ILE A 79 2.512 4.525 -5.186 1.00 0.00 O ATOM 1178 CB ILE A 79 0.991 1.824 -3.813 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.130 1.436 -2.609 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.468 1.660 -3.490 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.106 -0.053 -2.339 1.00 0.00 C ATOM 0 H ILE A 79 -1.244 2.574 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 79 0.850 3.935 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 79 0.745 1.160 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.503 1.952 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.890 1.784 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.663 0.630 -3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.062 1.901 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.739 2.331 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.523 -0.256 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.295 -0.574 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.119 -0.403 -2.142 1.00 0.00 H new ATOM 1193 N LEU A 80 1.474 3.040 -6.521 1.00 0.00 N ATOM 1194 CA LEU A 80 2.316 3.325 -7.677 1.00 0.00 C ATOM 1195 C LEU A 80 2.176 4.782 -8.106 1.00 0.00 C ATOM 1196 O LEU A 80 3.142 5.406 -8.544 1.00 0.00 O ATOM 1197 CB LEU A 80 1.950 2.402 -8.840 1.00 0.00 C ATOM 1198 CG LEU A 80 2.607 1.021 -8.834 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.928 0.102 -9.838 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.094 1.137 -9.135 1.00 0.00 C ATOM 0 H LEU A 80 0.760 2.330 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 80 3.353 3.147 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.868 2.268 -8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.213 2.903 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 80 2.490 0.589 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.409 -0.876 -9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.875 -0.007 -9.578 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.013 0.529 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.545 0.145 -9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.232 1.590 -10.117 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.571 1.759 -8.378 1.00 0.00 H new ATOM 1212 N ASN A 81 0.967 5.319 -7.975 1.00 0.00 N ATOM 1213 CA ASN A 81 0.701 6.704 -8.347 1.00 0.00 C ATOM 1214 C ASN A 81 1.678 7.650 -7.656 1.00 0.00 C ATOM 1215 O ASN A 81 2.243 8.545 -8.286 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.736 7.083 -7.986 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.910 8.578 -7.801 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.132 9.375 -8.327 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.934 8.966 -7.049 1.00 0.00 N ATOM 0 H ASN A 81 0.156 4.816 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 81 0.834 6.797 -9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.408 6.736 -8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.025 6.570 -7.069 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.101 9.959 -6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.553 8.271 -6.633 1.00 0.00 H new ATOM 1226 N LEU A 82 1.872 7.446 -6.358 1.00 0.00 N ATOM 1227 CA LEU A 82 2.782 8.281 -5.580 1.00 0.00 C ATOM 1228 C LEU A 82 4.235 7.939 -5.892 1.00 0.00 C ATOM 1229 O LEU A 82 5.103 8.812 -5.884 1.00 0.00 O ATOM 1230 CB LEU A 82 2.513 8.105 -4.085 1.00 0.00 C ATOM 1231 CG LEU A 82 1.066 8.305 -3.634 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.892 7.869 -2.187 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.649 9.758 -3.809 1.00 0.00 C ATOM 0 H LEU A 82 1.412 6.710 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 82 2.607 9.321 -5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.827 7.102 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.143 8.807 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 82 0.422 7.685 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.144 8.019 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.149 6.814 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.546 8.461 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.384 9.882 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.298 10.397 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.734 10.037 -4.859 1.00 0.00 H new ATOM 1245 N GLU A 83 4.492 6.665 -6.167 1.00 0.00 N ATOM 1246 CA GLU A 83 5.841 6.209 -6.482 1.00 0.00 C ATOM 1247 C GLU A 83 6.475 7.087 -7.557 1.00 0.00 C ATOM 1248 O GLU A 83 7.629 7.495 -7.438 1.00 0.00 O ATOM 1249 CB GLU A 83 5.815 4.752 -6.949 1.00 0.00 C ATOM 1250 CG GLU A 83 7.195 4.171 -7.208 1.00 0.00 C ATOM 1251 CD GLU A 83 7.184 3.097 -8.279 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.569 2.035 -8.049 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.791 3.320 -9.347 1.00 0.00 O ATOM 0 H GLU A 83 3.785 5.930 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 83 6.442 6.282 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.311 4.147 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.224 4.682 -7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.872 4.971 -7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.588 3.752 -6.282 1.00 0.00 H new ATOM 1260 N GLU A 84 5.710 7.374 -8.606 1.00 0.00 N ATOM 1261 CA GLU A 84 6.197 8.202 -9.703 1.00 0.00 C ATOM 1262 C GLU A 84 6.328 9.659 -9.267 1.00 0.00 C ATOM 1263 O GLU A 84 7.294 10.337 -9.616 1.00 0.00 O ATOM 1264 CB GLU A 84 5.256 8.101 -10.905 1.00 0.00 C ATOM 1265 CG GLU A 84 5.701 8.930 -12.098 1.00 0.00 C ATOM 1266 CD GLU A 84 5.006 8.524 -13.383 1.00 0.00 C ATOM 1267 OE1 GLU A 84 3.758 8.463 -13.388 1.00 0.00 O ATOM 1268 OE2 GLU A 84 5.708 8.267 -14.383 1.00 0.00 O ATOM 0 H GLU A 84 4.751 7.045 -8.719 1.00 0.00 H new ATOM 0 HA GLU A 84 7.182 7.836 -9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.178 7.057 -11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.259 8.421 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.502 9.983 -11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.779 8.828 -12.225 1.00 0.00 H new ATOM 1275 N GLU A 85 5.349 10.133 -8.503 1.00 0.00 N ATOM 1276 CA GLU A 85 5.354 11.509 -8.021 1.00 0.00 C ATOM 1277 C GLU A 85 6.623 11.801 -7.224 1.00 0.00 C ATOM 1278 O GLU A 85 7.225 12.865 -7.364 1.00 0.00 O ATOM 1279 CB GLU A 85 4.122 11.774 -7.154 1.00 0.00 C ATOM 1280 CG GLU A 85 4.054 13.191 -6.610 1.00 0.00 C ATOM 1281 CD GLU A 85 3.028 13.343 -5.503 1.00 0.00 C ATOM 1282 OE1 GLU A 85 2.065 12.547 -5.475 1.00 0.00 O ATOM 1283 OE2 GLU A 85 3.187 14.256 -4.667 1.00 0.00 O ATOM 0 H GLU A 85 4.542 9.584 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 85 5.328 12.171 -8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.225 11.576 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.118 11.073 -6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.035 13.479 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.811 13.877 -7.422 1.00 0.00 H new ATOM 1290 N TYR A 86 7.021 10.849 -6.387 1.00 0.00 N ATOM 1291 CA TYR A 86 8.215 11.005 -5.566 1.00 0.00 C ATOM 1292 C TYR A 86 9.477 10.762 -6.387 1.00 0.00 C ATOM 1293 O TYR A 86 10.433 11.536 -6.322 1.00 0.00 O ATOM 1294 CB TYR A 86 8.172 10.041 -4.379 1.00 0.00 C ATOM 1295 CG TYR A 86 7.141 10.408 -3.337 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.064 11.700 -2.832 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.242 9.463 -2.857 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.124 12.040 -1.879 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.297 9.795 -1.905 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.242 11.084 -1.419 1.00 0.00 C ATOM 1301 OH TYR A 86 4.303 11.419 -0.471 1.00 0.00 O ATOM 0 H TYR A 86 6.534 9.962 -6.260 1.00 0.00 H new ATOM 0 HA TYR A 86 8.238 12.029 -5.194 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.964 9.036 -4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.156 10.012 -3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.751 12.452 -3.191 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.283 8.452 -3.234 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.080 13.049 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.605 9.049 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 86 3.760 10.632 -0.256 1.00 0.00 H new ATOM 1311 N LEU A 87 9.473 9.683 -7.161 1.00 0.00 N ATOM 1312 CA LEU A 87 10.617 9.336 -7.998 1.00 0.00 C ATOM 1313 C LEU A 87 10.951 10.472 -8.960 1.00 0.00 C ATOM 1314 O LEU A 87 12.119 10.727 -9.253 1.00 0.00 O ATOM 1315 CB LEU A 87 10.330 8.055 -8.783 1.00 0.00 C ATOM 1316 CG LEU A 87 10.402 6.751 -7.989 1.00 0.00 C ATOM 1317 CD1 LEU A 87 9.862 5.593 -8.814 1.00 0.00 C ATOM 1318 CD2 LEU A 87 11.832 6.473 -7.549 1.00 0.00 C ATOM 0 H LEU A 87 8.690 9.032 -7.227 1.00 0.00 H new ATOM 0 HA LEU A 87 11.476 9.171 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.335 8.136 -9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.038 7.993 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 87 9.782 6.856 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.921 4.673 -8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.823 5.788 -9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.454 5.486 -9.723 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.864 5.541 -6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.473 6.389 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.184 7.290 -6.920 1.00 0.00 H new ATOM 1330 N ALA A 88 9.918 11.151 -9.447 1.00 0.00 N ATOM 1331 CA ALA A 88 10.103 12.262 -10.372 1.00 0.00 C ATOM 1332 C ALA A 88 11.211 13.195 -9.896 1.00 0.00 C ATOM 1333 O ALA A 88 11.967 13.739 -10.702 1.00 0.00 O ATOM 1334 CB ALA A 88 8.800 13.031 -10.541 1.00 0.00 C ATOM 0 H ALA A 88 8.945 10.951 -9.216 1.00 0.00 H new ATOM 0 HA ALA A 88 10.399 11.852 -11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.953 13.858 -11.234 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.033 12.364 -10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.480 13.422 -9.575 1.00 0.00 H new ATOM 1340 N ASP A 89 11.302 13.376 -8.583 1.00 0.00 N ATOM 1341 CA ASP A 89 12.319 14.243 -8.000 1.00 0.00 C ATOM 1342 C ASP A 89 13.501 13.426 -7.486 1.00 0.00 C ATOM 1343 O ASP A 89 13.854 13.499 -6.310 1.00 0.00 O ATOM 1344 CB ASP A 89 11.722 15.071 -6.860 1.00 0.00 C ATOM 1345 CG ASP A 89 10.618 14.334 -6.128 1.00 0.00 C ATOM 1346 OD1 ASP A 89 9.501 14.239 -6.679 1.00 0.00 O ATOM 1347 OD2 ASP A 89 10.869 13.854 -5.002 1.00 0.00 O ATOM 0 H ASP A 89 10.684 12.934 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 89 12.677 14.916 -8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.510 15.334 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.328 16.005 -7.260 1.00 0.00 H new ATOM 1352 N SER A 90 14.107 12.648 -8.377 1.00 0.00 N ATOM 1353 CA SER A 90 15.246 11.813 -8.013 1.00 0.00 C ATOM 1354 C SER A 90 16.553 12.590 -8.145 1.00 0.00 C ATOM 1355 O SER A 90 17.296 12.417 -9.110 1.00 0.00 O ATOM 1356 CB SER A 90 15.291 10.563 -8.894 1.00 0.00 C ATOM 1357 OG SER A 90 16.488 9.834 -8.684 1.00 0.00 O ATOM 0 H SER A 90 13.829 12.578 -9.356 1.00 0.00 H new ATOM 0 HA SER A 90 15.126 11.511 -6.972 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.432 9.929 -8.675 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.216 10.850 -9.943 1.00 0.00 H new ATOM 0 HG SER A 90 16.492 9.039 -9.257 1.00 0.00 H new ATOM 1363 N GLY A 91 16.826 13.447 -7.166 1.00 0.00 N ATOM 1364 CA GLY A 91 18.043 14.238 -7.191 1.00 0.00 C ATOM 1365 C GLY A 91 19.238 13.480 -6.647 1.00 0.00 C ATOM 1366 O GLY A 91 19.261 12.249 -6.624 1.00 0.00 O ATOM 0 H GLY A 91 16.227 13.608 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 91 18.249 14.549 -8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.895 15.146 -6.606 1.00 0.00 H new ATOM 1370 N PRO A 92 20.261 14.223 -6.199 1.00 0.00 N ATOM 1371 CA PRO A 92 21.484 13.634 -5.646 1.00 0.00 C ATOM 1372 C PRO A 92 21.248 12.968 -4.295 1.00 0.00 C ATOM 1373 O PRO A 92 22.181 12.467 -3.667 1.00 0.00 O ATOM 1374 CB PRO A 92 22.419 14.837 -5.493 1.00 0.00 C ATOM 1375 CG PRO A 92 21.509 16.009 -5.357 1.00 0.00 C ATOM 1376 CD PRO A 92 20.301 15.695 -6.196 1.00 0.00 C ATOM 0 HA PRO A 92 21.882 12.846 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 92 23.061 14.731 -4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 92 23.074 14.942 -6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 92 21.230 16.168 -4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 92 21.995 16.922 -5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.393 16.121 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.397 16.096 -7.205 1.00 0.00 H new ATOM 1384 N SER A 93 19.994 12.966 -3.853 1.00 0.00 N ATOM 1385 CA SER A 93 19.636 12.363 -2.574 1.00 0.00 C ATOM 1386 C SER A 93 20.270 10.983 -2.427 1.00 0.00 C ATOM 1387 O SER A 93 19.870 10.030 -3.096 1.00 0.00 O ATOM 1388 CB SER A 93 18.115 12.255 -2.445 1.00 0.00 C ATOM 1389 OG SER A 93 17.752 11.497 -1.305 1.00 0.00 O ATOM 0 H SER A 93 19.210 13.375 -4.361 1.00 0.00 H new ATOM 0 HA SER A 93 20.016 13.004 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 93 17.681 13.253 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 93 17.703 11.790 -3.341 1.00 0.00 H new ATOM 0 HG SER A 93 16.775 11.444 -1.245 1.00 0.00 H new ATOM 1395 N SER A 94 21.260 10.885 -1.546 1.00 0.00 N ATOM 1396 CA SER A 94 21.953 9.623 -1.312 1.00 0.00 C ATOM 1397 C SER A 94 22.556 9.586 0.089 1.00 0.00 C ATOM 1398 O SER A 94 22.646 10.609 0.766 1.00 0.00 O ATOM 1399 CB SER A 94 23.050 9.419 -2.358 1.00 0.00 C ATOM 1400 OG SER A 94 23.983 10.485 -2.334 1.00 0.00 O ATOM 0 H SER A 94 21.600 11.664 -0.982 1.00 0.00 H new ATOM 0 HA SER A 94 21.226 8.816 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.565 8.477 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 94 22.602 9.346 -3.349 1.00 0.00 H new ATOM 0 HG SER A 94 23.582 11.280 -2.745 1.00 0.00 H new ATOM 1406 N GLY A 95 22.968 8.397 0.517 1.00 0.00 N ATOM 1407 CA GLY A 95 23.557 8.246 1.835 1.00 0.00 C ATOM 1408 C GLY A 95 25.040 7.937 1.775 1.00 0.00 C ATOM 1409 O GLY A 95 25.771 8.186 2.734 1.00 0.00 O ATOM 0 H GLY A 95 22.905 7.535 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 95 23.403 9.162 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 95 23.044 7.447 2.370 1.00 0.00 H new TER 1413 GLY A 95