USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 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 19 SER OG : rot 44:sc= 1.23 USER MOD Set 1.2: A 57 THR OG1 : rot -120:sc= 1.35 USER MOD Set 2.1: A 10 CYS SG : rot 153:sc= -1.37 USER MOD Set 2.2: A 13 CYS SG : rot 118:sc= 0.0185 USER MOD Set 2.3: A 56 CYS SG : rot 110:sc= 0.17! USER MOD Set 2.4: A 58 SER OG : rot 180:sc= 1.1 USER MOD Set 2.5: A 59 CYS SG : rot 96:sc= 1.72 USER MOD Single : A 1 GLN : amide:sc= 0.147 K(o=0.15,f=-4.3!) USER MOD Single : A 1 GLN N :NH3+ 171:sc= 0.499 (180deg=0.0719) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00188) USER MOD Single : A 21 ASN : amide:sc= -0.0631 K(o=-0.063,f=-1.8!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.00452 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -2.33! (180deg=-4.51!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.245 X(o=-0.25,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.891 K(o=-0.89,f=-0.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -134:sc= -0.849 (180deg=-2.63!) USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= -0.043 (180deg=-0.335) USER MOD Single : A 62 SER OG : rot -90:sc= 1.08 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc=-0.00172 (180deg=-0.124) USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= -1.25 (180deg=-2.91!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -29.217 11.414 -10.668 1.00 0.00 N ATOM 2 CA GLN A 1 -28.318 12.501 -11.123 1.00 0.00 C ATOM 3 C GLN A 1 -26.947 11.959 -11.520 1.00 0.00 C ATOM 4 O GLN A 1 -25.967 12.703 -11.560 1.00 0.00 O ATOM 5 CB GLN A 1 -28.179 13.577 -10.034 1.00 0.00 C ATOM 6 CG GLN A 1 -28.200 13.044 -8.606 1.00 0.00 C ATOM 7 CD GLN A 1 -27.144 11.989 -8.342 1.00 0.00 C ATOM 8 OE1 GLN A 1 -27.386 10.799 -8.535 1.00 0.00 O ATOM 9 NE2 GLN A 1 -25.975 12.418 -7.903 1.00 0.00 N ATOM 0 H1 GLN A 1 -30.082 11.826 -10.263 1.00 0.00 H new ATOM 0 H2 GLN A 1 -29.467 10.809 -11.476 1.00 0.00 H new ATOM 0 H3 GLN A 1 -28.734 10.844 -9.945 1.00 0.00 H new ATOM 0 HA GLN A 1 -28.765 12.956 -12.007 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -27.245 14.116 -10.192 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -28.988 14.299 -10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -28.055 13.874 -7.914 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -29.184 12.623 -8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -25.820 13.416 -7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -25.227 11.752 -7.709 1.00 0.00 H new ATOM 20 N GLY A 2 -26.883 10.669 -11.840 1.00 0.00 N ATOM 21 CA GLY A 2 -25.619 10.062 -12.205 1.00 0.00 C ATOM 22 C GLY A 2 -25.619 8.559 -11.996 1.00 0.00 C ATOM 23 O GLY A 2 -26.064 8.071 -10.958 1.00 0.00 O ATOM 0 H GLY A 2 -27.683 10.036 -11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -25.402 10.281 -13.251 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -24.820 10.509 -11.613 1.00 0.00 H new ATOM 27 N HIS A 3 -25.141 7.825 -12.994 1.00 0.00 N ATOM 28 CA HIS A 3 -25.072 6.366 -12.909 1.00 0.00 C ATOM 29 C HIS A 3 -23.775 5.913 -12.252 1.00 0.00 C ATOM 30 O HIS A 3 -23.731 4.879 -11.586 1.00 0.00 O ATOM 31 CB HIS A 3 -25.192 5.742 -14.303 1.00 0.00 C ATOM 32 CG HIS A 3 -26.567 5.824 -14.878 1.00 0.00 C ATOM 33 ND1 HIS A 3 -27.008 6.895 -15.624 1.00 0.00 N ATOM 34 CD2 HIS A 3 -27.600 4.958 -14.819 1.00 0.00 C ATOM 35 CE1 HIS A 3 -28.255 6.683 -15.996 1.00 0.00 C ATOM 36 NE2 HIS A 3 -28.638 5.514 -15.522 1.00 0.00 N ATOM 0 H HIS A 3 -24.795 8.213 -13.872 1.00 0.00 H new ATOM 0 HA HIS A 3 -25.906 6.030 -12.293 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -24.495 6.241 -14.976 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -24.891 4.696 -14.251 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -27.608 4.004 -14.312 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -28.860 7.353 -16.588 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -29.557 5.092 -15.656 1.00 0.00 H new ATOM 45 N MET A 4 -22.724 6.697 -12.433 1.00 0.00 N ATOM 46 CA MET A 4 -21.418 6.353 -11.894 1.00 0.00 C ATOM 47 C MET A 4 -21.326 6.797 -10.441 1.00 0.00 C ATOM 48 O MET A 4 -21.029 7.955 -10.153 1.00 0.00 O ATOM 49 CB MET A 4 -20.309 7.010 -12.727 1.00 0.00 C ATOM 50 CG MET A 4 -18.946 6.328 -12.618 1.00 0.00 C ATOM 51 SD MET A 4 -18.216 6.413 -10.969 1.00 0.00 S ATOM 52 CE MET A 4 -16.661 5.565 -11.245 1.00 0.00 C ATOM 0 H MET A 4 -22.750 7.576 -12.949 1.00 0.00 H new ATOM 0 HA MET A 4 -21.288 5.272 -11.941 1.00 0.00 H new ATOM 0 HB2 MET A 4 -20.614 7.018 -13.773 1.00 0.00 H new ATOM 0 HB3 MET A 4 -20.207 8.050 -12.417 1.00 0.00 H new ATOM 0 HG2 MET A 4 -19.050 5.282 -12.905 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.262 6.788 -13.332 1.00 0.00 H new ATOM 0 HE1 MET A 4 -16.093 5.535 -10.315 1.00 0.00 H new ATOM 0 HE2 MET A 4 -16.857 4.548 -11.584 1.00 0.00 H new ATOM 0 HE3 MET A 4 -16.087 6.096 -12.004 1.00 0.00 H new ATOM 62 N ILE A 5 -21.616 5.880 -9.531 1.00 0.00 N ATOM 63 CA ILE A 5 -21.576 6.178 -8.110 1.00 0.00 C ATOM 64 C ILE A 5 -21.146 4.952 -7.307 1.00 0.00 C ATOM 65 O ILE A 5 -21.746 3.880 -7.420 1.00 0.00 O ATOM 66 CB ILE A 5 -22.946 6.702 -7.600 1.00 0.00 C ATOM 67 CG1 ILE A 5 -22.913 6.921 -6.084 1.00 0.00 C ATOM 68 CG2 ILE A 5 -24.067 5.747 -7.988 1.00 0.00 C ATOM 69 CD1 ILE A 5 -24.208 7.467 -5.513 1.00 0.00 C ATOM 0 H ILE A 5 -21.882 4.921 -9.753 1.00 0.00 H new ATOM 0 HA ILE A 5 -20.837 6.966 -7.964 1.00 0.00 H new ATOM 0 HB ILE A 5 -23.142 7.663 -8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -22.682 5.974 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -22.103 7.609 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.018 6.134 -7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.108 5.655 -9.073 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -23.879 4.768 -7.548 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -24.105 7.595 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -24.431 8.430 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -25.020 6.769 -5.720 1.00 0.00 H new ATOM 81 N MET A 6 -20.082 5.128 -6.524 1.00 0.00 N ATOM 82 CA MET A 6 -19.534 4.076 -5.665 1.00 0.00 C ATOM 83 C MET A 6 -19.193 2.826 -6.476 1.00 0.00 C ATOM 84 O MET A 6 -19.996 1.896 -6.595 1.00 0.00 O ATOM 85 CB MET A 6 -20.506 3.726 -4.534 1.00 0.00 C ATOM 86 CG MET A 6 -19.819 3.294 -3.242 1.00 0.00 C ATOM 87 SD MET A 6 -18.691 1.898 -3.460 1.00 0.00 S ATOM 88 CE MET A 6 -18.043 1.735 -1.798 1.00 0.00 C ATOM 0 H MET A 6 -19.572 6.010 -6.467 1.00 0.00 H new ATOM 0 HA MET A 6 -18.615 4.460 -5.222 1.00 0.00 H new ATOM 0 HB2 MET A 6 -21.135 4.592 -4.328 1.00 0.00 H new ATOM 0 HB3 MET A 6 -21.165 2.925 -4.869 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.265 4.139 -2.834 1.00 0.00 H new ATOM 0 HG3 MET A 6 -20.578 3.026 -2.507 1.00 0.00 H new ATOM 0 HE1 MET A 6 -17.329 0.912 -1.765 1.00 0.00 H new ATOM 0 HE2 MET A 6 -17.544 2.660 -1.510 1.00 0.00 H new ATOM 0 HE3 MET A 6 -18.861 1.533 -1.107 1.00 0.00 H new ATOM 98 N ALA A 7 -17.997 2.811 -7.040 1.00 0.00 N ATOM 99 CA ALA A 7 -17.549 1.691 -7.853 1.00 0.00 C ATOM 100 C ALA A 7 -16.445 0.921 -7.141 1.00 0.00 C ATOM 101 O ALA A 7 -15.642 0.245 -7.782 1.00 0.00 O ATOM 102 CB ALA A 7 -17.067 2.187 -9.208 1.00 0.00 C ATOM 0 H ALA A 7 -17.316 3.565 -6.950 1.00 0.00 H new ATOM 0 HA ALA A 7 -18.390 1.015 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -16.734 1.340 -9.808 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -17.883 2.696 -9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -16.238 2.881 -9.068 1.00 0.00 H new ATOM 108 N LYS A 8 -16.437 1.012 -5.809 1.00 0.00 N ATOM 109 CA LYS A 8 -15.379 0.423 -4.987 1.00 0.00 C ATOM 110 C LYS A 8 -14.025 0.985 -5.403 1.00 0.00 C ATOM 111 O LYS A 8 -13.248 0.354 -6.117 1.00 0.00 O ATOM 112 CB LYS A 8 -15.412 -1.109 -5.057 1.00 0.00 C ATOM 113 CG LYS A 8 -16.725 -1.686 -4.542 1.00 0.00 C ATOM 114 CD LYS A 8 -16.760 -3.204 -4.601 1.00 0.00 C ATOM 115 CE LYS A 8 -18.120 -3.725 -4.159 1.00 0.00 C ATOM 116 NZ LYS A 8 -18.193 -5.211 -4.161 1.00 0.00 N ATOM 0 H LYS A 8 -17.159 1.493 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.550 0.692 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.259 -1.426 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.586 -1.515 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.881 -1.363 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.550 -1.284 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.548 -3.539 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.981 -3.616 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.338 -3.356 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.890 -3.326 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.139 -5.513 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.013 -5.566 -5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.478 -5.595 -3.510 1.00 0.00 H new ATOM 130 N ARG A 9 -13.782 2.206 -4.958 1.00 0.00 N ATOM 131 CA ARG A 9 -12.629 2.982 -5.383 1.00 0.00 C ATOM 132 C ARG A 9 -11.495 2.884 -4.370 1.00 0.00 C ATOM 133 O ARG A 9 -11.603 2.186 -3.365 1.00 0.00 O ATOM 134 CB ARG A 9 -13.044 4.447 -5.510 1.00 0.00 C ATOM 135 CG ARG A 9 -13.514 5.030 -4.183 1.00 0.00 C ATOM 136 CD ARG A 9 -13.808 6.516 -4.265 1.00 0.00 C ATOM 137 NE ARG A 9 -14.020 7.087 -2.936 1.00 0.00 N ATOM 138 CZ ARG A 9 -13.722 8.338 -2.597 1.00 0.00 C ATOM 139 NH1 ARG A 9 -13.279 9.194 -3.511 1.00 0.00 N ATOM 140 NH2 ARG A 9 -13.892 8.735 -1.344 1.00 0.00 N ATOM 0 H ARG A 9 -14.381 2.689 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.279 2.588 -6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.202 5.030 -5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.843 4.534 -6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.412 4.504 -3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.751 4.857 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.979 7.027 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.693 6.681 -4.880 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.424 6.484 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.166 8.893 -4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.052 10.152 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.249 8.082 -0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.665 9.693 -1.077 1.00 0.00 H new ATOM 154 N CYS A 10 -10.411 3.596 -4.648 1.00 0.00 N ATOM 155 CA CYS A 10 -9.367 3.806 -3.659 1.00 0.00 C ATOM 156 C CYS A 10 -9.922 4.680 -2.541 1.00 0.00 C ATOM 157 O CYS A 10 -10.353 5.803 -2.793 1.00 0.00 O ATOM 158 CB CYS A 10 -8.156 4.489 -4.306 1.00 0.00 C ATOM 159 SG CYS A 10 -6.786 4.835 -3.173 1.00 0.00 S ATOM 0 H CYS A 10 -10.233 4.037 -5.550 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.046 2.846 -3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.789 3.857 -5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.483 5.426 -4.756 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.670 4.865 -3.838 1.00 0.00 H new ATOM 165 N GLU A 11 -9.913 4.170 -1.316 1.00 0.00 N ATOM 166 CA GLU A 11 -10.498 4.889 -0.186 1.00 0.00 C ATOM 167 C GLU A 11 -9.638 6.091 0.205 1.00 0.00 C ATOM 168 O GLU A 11 -10.059 6.944 0.987 1.00 0.00 O ATOM 169 CB GLU A 11 -10.685 3.950 1.010 1.00 0.00 C ATOM 170 CG GLU A 11 -11.647 2.803 0.728 1.00 0.00 C ATOM 171 CD GLU A 11 -11.941 1.952 1.948 1.00 0.00 C ATOM 172 OE1 GLU A 11 -12.776 2.363 2.780 1.00 0.00 O ATOM 173 OE2 GLU A 11 -11.356 0.855 2.066 1.00 0.00 O ATOM 0 H GLU A 11 -9.509 3.264 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.476 5.260 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.716 3.541 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.054 4.524 1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.582 3.209 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.228 2.171 -0.055 1.00 0.00 H new ATOM 180 N VAL A 12 -8.435 6.158 -0.360 1.00 0.00 N ATOM 181 CA VAL A 12 -7.532 7.273 -0.109 1.00 0.00 C ATOM 182 C VAL A 12 -7.884 8.467 -0.989 1.00 0.00 C ATOM 183 O VAL A 12 -8.403 9.472 -0.506 1.00 0.00 O ATOM 184 CB VAL A 12 -6.060 6.887 -0.356 1.00 0.00 C ATOM 185 CG1 VAL A 12 -5.133 8.063 -0.079 1.00 0.00 C ATOM 186 CG2 VAL A 12 -5.676 5.699 0.505 1.00 0.00 C ATOM 0 H VAL A 12 -8.065 5.451 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.652 7.541 0.941 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.953 6.611 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.101 7.763 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.391 8.893 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.242 8.376 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.634 5.437 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.805 5.955 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.313 4.850 0.258 1.00 0.00 H new ATOM 196 N CYS A 13 -7.614 8.352 -2.286 1.00 0.00 N ATOM 197 CA CYS A 13 -7.855 9.456 -3.210 1.00 0.00 C ATOM 198 C CYS A 13 -9.191 9.289 -3.925 1.00 0.00 C ATOM 199 O CYS A 13 -9.989 10.223 -4.008 1.00 0.00 O ATOM 200 CB CYS A 13 -6.712 9.556 -4.226 1.00 0.00 C ATOM 201 SG CYS A 13 -5.082 9.810 -3.480 1.00 0.00 S ATOM 0 H CYS A 13 -7.231 7.512 -2.719 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.895 10.380 -2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.689 8.644 -4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.919 10.379 -4.910 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.308 8.808 -3.776 1.00 0.00 H new ATOM 207 N GLY A 14 -9.436 8.089 -4.422 1.00 0.00 N ATOM 208 CA GLY A 14 -10.678 7.818 -5.110 1.00 0.00 C ATOM 209 C GLY A 14 -10.477 7.372 -6.544 1.00 0.00 C ATOM 210 O GLY A 14 -11.391 7.478 -7.359 1.00 0.00 O ATOM 0 H GLY A 14 -8.796 7.297 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.225 7.046 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.297 8.715 -5.098 1.00 0.00 H new ATOM 214 N LYS A 15 -9.287 6.872 -6.856 1.00 0.00 N ATOM 215 CA LYS A 15 -8.990 6.399 -8.202 1.00 0.00 C ATOM 216 C LYS A 15 -9.536 4.989 -8.431 1.00 0.00 C ATOM 217 O LYS A 15 -10.091 4.372 -7.519 1.00 0.00 O ATOM 218 CB LYS A 15 -7.483 6.463 -8.468 1.00 0.00 C ATOM 219 CG LYS A 15 -6.955 7.890 -8.558 1.00 0.00 C ATOM 220 CD LYS A 15 -5.466 7.932 -8.867 1.00 0.00 C ATOM 221 CE LYS A 15 -5.000 9.345 -9.186 1.00 0.00 C ATOM 222 NZ LYS A 15 -5.177 10.276 -8.042 1.00 0.00 N ATOM 0 H LYS A 15 -8.514 6.784 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.491 7.057 -8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.956 5.936 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.261 5.940 -9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.501 8.430 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.144 8.406 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.906 7.547 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.250 7.278 -9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.948 9.321 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.555 9.721 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.829 11.220 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.186 10.335 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.640 9.925 -7.223 1.00 0.00 H new ATOM 236 N ALA A 16 -9.356 4.493 -9.651 1.00 0.00 N ATOM 237 CA ALA A 16 -9.989 3.254 -10.106 1.00 0.00 C ATOM 238 C ALA A 16 -8.985 2.114 -10.299 1.00 0.00 C ATOM 239 O ALA A 16 -8.362 2.002 -11.357 1.00 0.00 O ATOM 240 CB ALA A 16 -10.765 3.500 -11.391 1.00 0.00 C ATOM 0 H ALA A 16 -8.767 4.937 -10.355 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.677 2.940 -9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.231 2.570 -11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.536 4.249 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.085 3.857 -12.164 1.00 0.00 H new ATOM 246 N PRO A 17 -8.756 1.299 -9.258 1.00 0.00 N ATOM 247 CA PRO A 17 -7.866 0.133 -9.345 1.00 0.00 C ATOM 248 C PRO A 17 -8.380 -0.910 -10.338 1.00 0.00 C ATOM 249 O PRO A 17 -9.589 -1.077 -10.501 1.00 0.00 O ATOM 250 CB PRO A 17 -7.890 -0.443 -7.926 1.00 0.00 C ATOM 251 CG PRO A 17 -9.160 0.062 -7.332 1.00 0.00 C ATOM 252 CD PRO A 17 -9.372 1.422 -7.924 1.00 0.00 C ATOM 0 HA PRO A 17 -6.871 0.408 -9.694 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.866 -1.533 -7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.025 -0.113 -7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.993 -0.601 -7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.090 0.114 -6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.430 1.674 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.895 2.201 -7.329 1.00 0.00 H new ATOM 260 N ARG A 18 -7.464 -1.608 -11.005 1.00 0.00 N ATOM 261 CA ARG A 18 -7.844 -2.650 -11.952 1.00 0.00 C ATOM 262 C ARG A 18 -6.780 -3.749 -12.006 1.00 0.00 C ATOM 263 O ARG A 18 -6.789 -4.597 -12.898 1.00 0.00 O ATOM 264 CB ARG A 18 -8.082 -2.062 -13.355 1.00 0.00 C ATOM 265 CG ARG A 18 -6.825 -1.612 -14.099 1.00 0.00 C ATOM 266 CD ARG A 18 -6.159 -0.405 -13.455 1.00 0.00 C ATOM 267 NE ARG A 18 -5.091 0.136 -14.295 1.00 0.00 N ATOM 268 CZ ARG A 18 -3.871 0.444 -13.854 1.00 0.00 C ATOM 269 NH1 ARG A 18 -3.532 0.204 -12.593 1.00 0.00 N ATOM 270 NH2 ARG A 18 -2.984 0.977 -14.684 1.00 0.00 N ATOM 0 H ARG A 18 -6.458 -1.471 -10.907 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.778 -3.091 -11.605 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.595 -2.809 -13.961 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.755 -1.209 -13.264 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.114 -2.438 -14.134 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.085 -1.371 -15.130 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.905 0.368 -13.272 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.751 -0.689 -12.485 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.293 0.288 -15.283 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.207 -0.218 -11.955 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.597 0.442 -12.262 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.236 1.150 -15.657 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.050 1.214 -14.349 1.00 0.00 H new ATOM 284 N SER A 19 -5.883 -3.742 -11.031 1.00 0.00 N ATOM 285 CA SER A 19 -4.787 -4.700 -10.992 1.00 0.00 C ATOM 286 C SER A 19 -5.191 -5.945 -10.212 1.00 0.00 C ATOM 287 O SER A 19 -5.466 -5.871 -9.015 1.00 0.00 O ATOM 288 CB SER A 19 -3.565 -4.041 -10.356 1.00 0.00 C ATOM 289 OG SER A 19 -3.922 -3.373 -9.154 1.00 0.00 O ATOM 0 H SER A 19 -5.893 -3.081 -10.254 1.00 0.00 H new ATOM 0 HA SER A 19 -4.542 -5.007 -12.009 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.807 -4.795 -10.147 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.124 -3.331 -11.055 1.00 0.00 H new ATOM 0 HG SER A 19 -4.520 -3.944 -8.628 1.00 0.00 H new ATOM 295 N GLY A 20 -5.240 -7.079 -10.893 1.00 0.00 N ATOM 296 CA GLY A 20 -5.649 -8.312 -10.249 1.00 0.00 C ATOM 297 C GLY A 20 -4.922 -9.529 -10.784 1.00 0.00 C ATOM 298 O GLY A 20 -5.022 -10.616 -10.215 1.00 0.00 O ATOM 0 H GLY A 20 -5.004 -7.169 -11.881 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.471 -8.232 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.722 -8.448 -10.385 1.00 0.00 H new ATOM 302 N ASN A 21 -4.188 -9.350 -11.872 1.00 0.00 N ATOM 303 CA ASN A 21 -3.467 -10.451 -12.493 1.00 0.00 C ATOM 304 C ASN A 21 -2.197 -10.760 -11.720 1.00 0.00 C ATOM 305 O ASN A 21 -1.181 -10.077 -11.867 1.00 0.00 O ATOM 306 CB ASN A 21 -3.126 -10.130 -13.951 1.00 0.00 C ATOM 307 CG ASN A 21 -4.346 -10.081 -14.850 1.00 0.00 C ATOM 308 OD1 ASN A 21 -5.446 -9.735 -14.422 1.00 0.00 O ATOM 309 ND2 ASN A 21 -4.156 -10.421 -16.114 1.00 0.00 N ATOM 0 H ASN A 21 -4.076 -8.452 -12.343 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.115 -11.328 -12.474 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.611 -9.170 -13.995 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.433 -10.881 -14.330 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.937 -10.401 -16.770 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.229 -10.703 -16.433 1.00 0.00 H new ATOM 316 N THR A 22 -2.275 -11.779 -10.880 1.00 0.00 N ATOM 317 CA THR A 22 -1.153 -12.200 -10.060 1.00 0.00 C ATOM 318 C THR A 22 -1.482 -13.524 -9.378 1.00 0.00 C ATOM 319 O THR A 22 -2.663 -13.861 -9.230 1.00 0.00 O ATOM 320 CB THR A 22 -0.802 -11.124 -9.002 1.00 0.00 C ATOM 321 OG1 THR A 22 0.418 -11.460 -8.328 1.00 0.00 O ATOM 322 CG2 THR A 22 -1.920 -10.957 -7.982 1.00 0.00 C ATOM 0 H THR A 22 -3.118 -12.337 -10.748 1.00 0.00 H new ATOM 0 HA THR A 22 -0.284 -12.333 -10.705 1.00 0.00 H new ATOM 0 HB THR A 22 -0.675 -10.179 -9.530 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.626 -10.769 -7.665 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.639 -10.194 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.835 -10.654 -8.491 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.088 -11.903 -7.468 1.00 0.00 H new ATOM 330 N VAL A 23 -0.432 -14.261 -8.995 1.00 0.00 N ATOM 331 CA VAL A 23 -0.536 -15.561 -8.315 1.00 0.00 C ATOM 332 C VAL A 23 -1.597 -16.479 -8.931 1.00 0.00 C ATOM 333 O VAL A 23 -2.747 -16.523 -8.496 1.00 0.00 O ATOM 334 CB VAL A 23 -0.732 -15.436 -6.773 1.00 0.00 C ATOM 335 CG1 VAL A 23 0.509 -14.841 -6.127 1.00 0.00 C ATOM 336 CG2 VAL A 23 -1.962 -14.611 -6.397 1.00 0.00 C ATOM 0 H VAL A 23 0.532 -13.966 -9.151 1.00 0.00 H new ATOM 0 HA VAL A 23 0.433 -16.034 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.895 -16.446 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.356 -14.760 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.366 -15.485 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.696 -13.851 -6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.047 -14.559 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.862 -13.604 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.855 -15.081 -6.809 1.00 0.00 H new ATOM 346 N SER A 24 -1.198 -17.211 -9.962 1.00 0.00 N ATOM 347 CA SER A 24 -2.092 -18.155 -10.619 1.00 0.00 C ATOM 348 C SER A 24 -2.458 -19.286 -9.658 1.00 0.00 C ATOM 349 O SER A 24 -3.621 -19.658 -9.533 1.00 0.00 O ATOM 350 CB SER A 24 -1.430 -18.718 -11.876 1.00 0.00 C ATOM 351 OG SER A 24 -0.915 -17.674 -12.683 1.00 0.00 O ATOM 0 H SER A 24 -0.261 -17.169 -10.362 1.00 0.00 H new ATOM 0 HA SER A 24 -3.005 -17.635 -10.910 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.625 -19.398 -11.596 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.155 -19.300 -12.445 1.00 0.00 H new ATOM 0 HG SER A 24 -0.494 -18.055 -13.482 1.00 0.00 H new ATOM 357 N HIS A 25 -1.446 -19.827 -8.984 1.00 0.00 N ATOM 358 CA HIS A 25 -1.643 -20.849 -7.957 1.00 0.00 C ATOM 359 C HIS A 25 -0.414 -20.903 -7.057 1.00 0.00 C ATOM 360 O HIS A 25 -0.082 -21.942 -6.488 1.00 0.00 O ATOM 361 CB HIS A 25 -1.933 -22.235 -8.575 1.00 0.00 C ATOM 362 CG HIS A 25 -0.920 -22.718 -9.575 1.00 0.00 C ATOM 363 ND1 HIS A 25 -1.264 -23.127 -10.845 1.00 0.00 N ATOM 364 CD2 HIS A 25 0.422 -22.880 -9.484 1.00 0.00 C ATOM 365 CE1 HIS A 25 -0.181 -23.518 -11.490 1.00 0.00 C ATOM 366 NE2 HIS A 25 0.858 -23.377 -10.686 1.00 0.00 N ATOM 0 H HIS A 25 -0.470 -19.571 -9.133 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.516 -20.578 -7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.001 -22.966 -7.770 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.909 -22.202 -9.059 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.036 -22.659 -8.623 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.149 -23.890 -12.503 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.825 -23.601 -10.920 1.00 0.00 H new ATOM 375 N SER A 26 0.248 -19.763 -6.941 1.00 0.00 N ATOM 376 CA SER A 26 1.464 -19.645 -6.160 1.00 0.00 C ATOM 377 C SER A 26 1.147 -19.729 -4.668 1.00 0.00 C ATOM 378 O SER A 26 0.577 -18.794 -4.099 1.00 0.00 O ATOM 379 CB SER A 26 2.133 -18.314 -6.498 1.00 0.00 C ATOM 380 OG SER A 26 1.989 -18.038 -7.883 1.00 0.00 O ATOM 0 H SER A 26 -0.045 -18.894 -7.387 1.00 0.00 H new ATOM 0 HA SER A 26 2.142 -20.464 -6.402 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.685 -17.513 -5.910 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.190 -18.351 -6.234 1.00 0.00 H new ATOM 0 HG SER A 26 2.419 -17.182 -8.092 1.00 0.00 H new ATOM 386 N ASP A 27 1.510 -20.863 -4.058 1.00 0.00 N ATOM 387 CA ASP A 27 1.180 -21.170 -2.659 1.00 0.00 C ATOM 388 C ASP A 27 -0.323 -21.408 -2.515 1.00 0.00 C ATOM 389 O ASP A 27 -1.143 -20.658 -3.049 1.00 0.00 O ATOM 390 CB ASP A 27 1.640 -20.053 -1.710 1.00 0.00 C ATOM 391 CG ASP A 27 1.712 -20.495 -0.255 1.00 0.00 C ATOM 392 OD1 ASP A 27 0.806 -21.216 0.209 1.00 0.00 O ATOM 393 OD2 ASP A 27 2.690 -20.130 0.433 1.00 0.00 O ATOM 0 H ASP A 27 2.044 -21.598 -4.522 1.00 0.00 H new ATOM 0 HA ASP A 27 1.715 -22.078 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.622 -19.699 -2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.955 -19.209 -1.793 1.00 0.00 H new ATOM 398 N LYS A 28 -0.689 -22.460 -1.803 1.00 0.00 N ATOM 399 CA LYS A 28 -2.091 -22.823 -1.670 1.00 0.00 C ATOM 400 C LYS A 28 -2.747 -22.074 -0.513 1.00 0.00 C ATOM 401 O LYS A 28 -3.968 -22.117 -0.347 1.00 0.00 O ATOM 402 CB LYS A 28 -2.243 -24.334 -1.481 1.00 0.00 C ATOM 403 CG LYS A 28 -1.511 -24.889 -0.273 1.00 0.00 C ATOM 404 CD LYS A 28 -1.683 -26.394 -0.177 1.00 0.00 C ATOM 405 CE LYS A 28 -0.943 -26.963 1.021 1.00 0.00 C ATOM 406 NZ LYS A 28 -1.045 -28.439 1.082 1.00 0.00 N ATOM 0 H LYS A 28 -0.041 -23.075 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.598 -22.535 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.303 -24.572 -1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.878 -24.839 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.451 -24.644 -0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.889 -24.418 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.743 -26.636 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.315 -26.862 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.107 -26.673 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.349 -26.533 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.527 -28.789 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.045 -28.715 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.635 -28.851 0.220 1.00 0.00 H new ATOM 420 N LYS A 29 -1.937 -21.388 0.281 1.00 0.00 N ATOM 421 CA LYS A 29 -2.448 -20.621 1.405 1.00 0.00 C ATOM 422 C LYS A 29 -2.383 -19.127 1.129 1.00 0.00 C ATOM 423 O LYS A 29 -1.377 -18.471 1.417 1.00 0.00 O ATOM 424 CB LYS A 29 -1.670 -20.935 2.685 1.00 0.00 C ATOM 425 CG LYS A 29 -1.913 -22.328 3.240 1.00 0.00 C ATOM 426 CD LYS A 29 -1.105 -22.584 4.508 1.00 0.00 C ATOM 427 CE LYS A 29 -1.667 -21.846 5.726 1.00 0.00 C ATOM 428 NZ LYS A 29 -1.576 -20.362 5.608 1.00 0.00 N ATOM 0 H LYS A 29 -0.924 -21.348 0.167 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.490 -20.909 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.605 -20.817 2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.936 -20.202 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.974 -22.453 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.650 -23.070 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.088 -23.654 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.073 -22.274 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.710 -22.130 5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.128 -22.167 6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.457 -19.945 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.761 -20.110 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.447 -19.994 5.175 1.00 0.00 H new ATOM 442 N SER A 30 -3.449 -18.593 0.555 1.00 0.00 N ATOM 443 CA SER A 30 -3.581 -17.157 0.398 1.00 0.00 C ATOM 444 C SER A 30 -4.062 -16.567 1.721 1.00 0.00 C ATOM 445 O SER A 30 -5.231 -16.213 1.863 1.00 0.00 O ATOM 446 CB SER A 30 -4.561 -16.833 -0.736 1.00 0.00 C ATOM 447 OG SER A 30 -4.217 -17.528 -1.928 1.00 0.00 O ATOM 0 H SER A 30 -4.234 -19.133 0.191 1.00 0.00 H new ATOM 0 HA SER A 30 -2.618 -16.719 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.573 -17.103 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.560 -15.759 -0.925 1.00 0.00 H new ATOM 0 HG SER A 30 -4.859 -17.304 -2.634 1.00 0.00 H new ATOM 453 N GLU A 31 -3.139 -16.494 2.686 1.00 0.00 N ATOM 454 CA GLU A 31 -3.456 -16.167 4.081 1.00 0.00 C ATOM 455 C GLU A 31 -4.425 -14.988 4.185 1.00 0.00 C ATOM 456 O GLU A 31 -5.548 -15.139 4.655 1.00 0.00 O ATOM 457 CB GLU A 31 -2.166 -15.854 4.847 1.00 0.00 C ATOM 458 CG GLU A 31 -2.316 -15.905 6.360 1.00 0.00 C ATOM 459 CD GLU A 31 -2.616 -17.302 6.866 1.00 0.00 C ATOM 460 OE1 GLU A 31 -3.787 -17.721 6.800 1.00 0.00 O ATOM 461 OE2 GLU A 31 -1.678 -17.992 7.322 1.00 0.00 O ATOM 0 H GLU A 31 -2.146 -16.661 2.521 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.946 -17.035 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.395 -16.563 4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.817 -14.862 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.399 -15.542 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.117 -15.231 6.666 1.00 0.00 H new ATOM 468 N ARG A 32 -3.988 -13.824 3.744 1.00 0.00 N ATOM 469 CA ARG A 32 -4.846 -12.647 3.720 1.00 0.00 C ATOM 470 C ARG A 32 -4.704 -11.947 2.380 1.00 0.00 C ATOM 471 O ARG A 32 -4.861 -10.731 2.264 1.00 0.00 O ATOM 472 CB ARG A 32 -4.507 -11.713 4.887 1.00 0.00 C ATOM 473 CG ARG A 32 -4.964 -12.266 6.227 1.00 0.00 C ATOM 474 CD ARG A 32 -4.544 -11.389 7.394 1.00 0.00 C ATOM 475 NE ARG A 32 -5.085 -11.896 8.656 1.00 0.00 N ATOM 476 CZ ARG A 32 -4.349 -12.201 9.727 1.00 0.00 C ATOM 477 NH1 ARG A 32 -3.044 -11.982 9.729 1.00 0.00 N ATOM 478 NH2 ARG A 32 -4.933 -12.724 10.797 1.00 0.00 N ATOM 0 H ARG A 32 -3.043 -13.664 3.396 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.886 -12.949 3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.430 -11.547 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.975 -10.743 4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.049 -12.365 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.553 -13.266 6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.456 -11.350 7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.891 -10.369 7.230 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.095 -12.025 8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.594 -11.577 8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.489 -12.218 10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.939 -12.891 10.798 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.376 -12.959 11.618 1.00 0.00 H new ATOM 492 N TRP A 33 -4.428 -12.746 1.361 1.00 0.00 N ATOM 493 CA TRP A 33 -4.234 -12.239 0.016 1.00 0.00 C ATOM 494 C TRP A 33 -5.486 -12.503 -0.821 1.00 0.00 C ATOM 495 O TRP A 33 -5.539 -13.459 -1.594 1.00 0.00 O ATOM 496 CB TRP A 33 -3.002 -12.904 -0.619 1.00 0.00 C ATOM 497 CG TRP A 33 -2.547 -12.277 -1.907 1.00 0.00 C ATOM 498 CD1 TRP A 33 -3.022 -12.535 -3.162 1.00 0.00 C ATOM 499 CD2 TRP A 33 -1.506 -11.303 -2.064 1.00 0.00 C ATOM 500 NE1 TRP A 33 -2.351 -11.772 -4.086 1.00 0.00 N ATOM 501 CE2 TRP A 33 -1.416 -11.008 -3.438 1.00 0.00 C ATOM 502 CE3 TRP A 33 -0.651 -10.644 -1.178 1.00 0.00 C ATOM 503 CZ2 TRP A 33 -0.500 -10.092 -3.945 1.00 0.00 C ATOM 504 CZ3 TRP A 33 0.259 -9.734 -1.684 1.00 0.00 C ATOM 505 CH2 TRP A 33 0.324 -9.461 -3.056 1.00 0.00 C ATOM 0 H TRP A 33 -4.333 -13.758 1.444 1.00 0.00 H new ATOM 0 HA TRP A 33 -4.064 -11.163 0.053 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.180 -12.872 0.096 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -3.226 -13.955 -0.801 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.810 -13.236 -3.393 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.521 -11.774 -5.092 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.700 -10.841 -0.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -0.442 -9.887 -5.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.931 -9.225 -1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.039 -8.738 -3.419 1.00 0.00 H new ATOM 516 N PHE A 34 -6.511 -11.681 -0.624 1.00 0.00 N ATOM 517 CA PHE A 34 -7.749 -11.813 -1.380 1.00 0.00 C ATOM 518 C PHE A 34 -8.543 -10.513 -1.336 1.00 0.00 C ATOM 519 O PHE A 34 -9.217 -10.220 -0.348 1.00 0.00 O ATOM 520 CB PHE A 34 -8.598 -12.966 -0.830 1.00 0.00 C ATOM 521 CG PHE A 34 -9.831 -13.248 -1.641 1.00 0.00 C ATOM 522 CD1 PHE A 34 -9.743 -13.939 -2.839 1.00 0.00 C ATOM 523 CD2 PHE A 34 -11.079 -12.832 -1.202 1.00 0.00 C ATOM 524 CE1 PHE A 34 -10.874 -14.206 -3.587 1.00 0.00 C ATOM 525 CE2 PHE A 34 -12.213 -13.094 -1.945 1.00 0.00 C ATOM 526 CZ PHE A 34 -12.112 -13.785 -3.138 1.00 0.00 C ATOM 0 H PHE A 34 -6.508 -10.917 0.052 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.492 -12.032 -2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.987 -13.868 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.892 -12.733 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.779 -14.273 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.165 -12.297 -0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.791 -14.743 -4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.178 -12.759 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.998 -13.996 -3.718 1.00 0.00 H new ATOM 536 N ARG A 35 -8.417 -9.714 -2.390 1.00 0.00 N ATOM 537 CA ARG A 35 -9.177 -8.472 -2.524 1.00 0.00 C ATOM 538 C ARG A 35 -9.483 -8.225 -3.996 1.00 0.00 C ATOM 539 O ARG A 35 -8.661 -8.541 -4.860 1.00 0.00 O ATOM 540 CB ARG A 35 -8.397 -7.274 -1.954 1.00 0.00 C ATOM 541 CG ARG A 35 -7.983 -7.436 -0.498 1.00 0.00 C ATOM 542 CD ARG A 35 -6.474 -7.349 -0.340 1.00 0.00 C ATOM 543 NE ARG A 35 -5.776 -8.195 -1.308 1.00 0.00 N ATOM 544 CZ ARG A 35 -4.477 -8.473 -1.264 1.00 0.00 C ATOM 545 NH1 ARG A 35 -3.725 -8.038 -0.257 1.00 0.00 N ATOM 546 NH2 ARG A 35 -3.932 -9.200 -2.229 1.00 0.00 N ATOM 0 H ARG A 35 -7.790 -9.905 -3.172 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.103 -8.574 -1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.504 -7.115 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.010 -6.377 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.459 -6.663 0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.335 -8.397 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.155 -6.314 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.197 -7.648 0.671 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.323 -8.599 -2.068 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.144 -7.486 0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.729 -8.257 -0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.509 -9.542 -2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.936 -9.418 -2.203 1.00 0.00 H new ATOM 560 N PRO A 36 -10.663 -7.662 -4.302 1.00 0.00 N ATOM 561 CA PRO A 36 -11.086 -7.405 -5.681 1.00 0.00 C ATOM 562 C PRO A 36 -10.301 -6.271 -6.337 1.00 0.00 C ATOM 563 O PRO A 36 -10.734 -5.117 -6.326 1.00 0.00 O ATOM 564 CB PRO A 36 -12.571 -7.021 -5.552 1.00 0.00 C ATOM 565 CG PRO A 36 -12.950 -7.346 -4.143 1.00 0.00 C ATOM 566 CD PRO A 36 -11.688 -7.247 -3.337 1.00 0.00 C ATOM 0 HA PRO A 36 -10.913 -8.275 -6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.722 -5.963 -5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.183 -7.579 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.704 -6.652 -3.773 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.378 -8.346 -4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.517 -6.234 -2.973 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.712 -7.899 -2.464 1.00 0.00 H new ATOM 574 N ASN A 37 -9.120 -6.611 -6.863 1.00 0.00 N ATOM 575 CA ASN A 37 -8.265 -5.664 -7.599 1.00 0.00 C ATOM 576 C ASN A 37 -7.797 -4.511 -6.706 1.00 0.00 C ATOM 577 O ASN A 37 -7.265 -3.509 -7.193 1.00 0.00 O ATOM 578 CB ASN A 37 -9.001 -5.108 -8.830 1.00 0.00 C ATOM 579 CG ASN A 37 -9.421 -6.196 -9.804 1.00 0.00 C ATOM 580 OD1 ASN A 37 -10.516 -6.747 -9.700 1.00 0.00 O ATOM 581 ND2 ASN A 37 -8.558 -6.512 -10.756 1.00 0.00 N ATOM 0 H ASN A 37 -8.727 -7.549 -6.793 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.384 -6.215 -7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.884 -4.559 -8.503 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.355 -4.396 -9.344 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.791 -7.235 -11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.659 -6.032 -10.809 1.00 0.00 H new ATOM 588 N LEU A 38 -7.970 -4.677 -5.403 1.00 0.00 N ATOM 589 CA LEU A 38 -7.638 -3.646 -4.425 1.00 0.00 C ATOM 590 C LEU A 38 -6.545 -4.119 -3.480 1.00 0.00 C ATOM 591 O LEU A 38 -6.401 -5.317 -3.235 1.00 0.00 O ATOM 592 CB LEU A 38 -8.883 -3.280 -3.614 1.00 0.00 C ATOM 593 CG LEU A 38 -9.857 -2.332 -4.310 1.00 0.00 C ATOM 594 CD1 LEU A 38 -11.255 -2.501 -3.744 1.00 0.00 C ATOM 595 CD2 LEU A 38 -9.396 -0.891 -4.144 1.00 0.00 C ATOM 0 H LEU A 38 -8.345 -5.531 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.276 -2.772 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.414 -4.197 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.565 -2.824 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.879 -2.575 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.938 -1.818 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.588 -3.527 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.245 -2.279 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.098 -0.224 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.353 -0.643 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.406 -0.773 -4.585 1.00 0.00 H new ATOM 607 N GLN A 39 -5.776 -3.177 -2.960 1.00 0.00 N ATOM 608 CA GLN A 39 -4.776 -3.474 -1.944 1.00 0.00 C ATOM 609 C GLN A 39 -5.102 -2.715 -0.670 1.00 0.00 C ATOM 610 O GLN A 39 -4.807 -1.529 -0.558 1.00 0.00 O ATOM 611 CB GLN A 39 -3.375 -3.095 -2.428 1.00 0.00 C ATOM 612 CG GLN A 39 -2.869 -3.944 -3.584 1.00 0.00 C ATOM 613 CD GLN A 39 -2.678 -5.395 -3.204 1.00 0.00 C ATOM 614 OE1 GLN A 39 -1.616 -5.799 -2.734 1.00 0.00 O ATOM 615 NE2 GLN A 39 -3.712 -6.190 -3.399 1.00 0.00 N ATOM 0 H GLN A 39 -5.825 -2.193 -3.226 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.792 -4.546 -1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.378 -2.049 -2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.678 -3.182 -1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.575 -3.880 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.922 -3.538 -3.940 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.576 -5.816 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.648 -7.179 -3.157 1.00 0.00 H new ATOM 624 N LYS A 40 -5.746 -3.385 0.274 1.00 0.00 N ATOM 625 CA LYS A 40 -6.072 -2.751 1.541 1.00 0.00 C ATOM 626 C LYS A 40 -4.864 -2.775 2.468 1.00 0.00 C ATOM 627 O LYS A 40 -4.412 -3.836 2.901 1.00 0.00 O ATOM 628 CB LYS A 40 -7.299 -3.403 2.198 1.00 0.00 C ATOM 629 CG LYS A 40 -7.173 -4.895 2.459 1.00 0.00 C ATOM 630 CD LYS A 40 -8.409 -5.427 3.168 1.00 0.00 C ATOM 631 CE LYS A 40 -8.287 -6.906 3.495 1.00 0.00 C ATOM 632 NZ LYS A 40 -9.505 -7.414 4.178 1.00 0.00 N ATOM 0 H LYS A 40 -6.050 -4.355 0.189 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.332 -1.711 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.496 -2.900 3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.167 -3.233 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.034 -5.423 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.289 -5.089 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.569 -4.865 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.285 -5.266 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.121 -7.470 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.417 -7.069 4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.389 -8.426 4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.649 -6.891 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.331 -7.281 3.560 1.00 0.00 H new ATOM 646 N VAL A 41 -4.328 -1.596 2.738 1.00 0.00 N ATOM 647 CA VAL A 41 -3.126 -1.460 3.546 1.00 0.00 C ATOM 648 C VAL A 41 -3.345 -0.465 4.681 1.00 0.00 C ATOM 649 O VAL A 41 -4.352 0.247 4.719 1.00 0.00 O ATOM 650 CB VAL A 41 -1.911 -1.010 2.701 1.00 0.00 C ATOM 651 CG1 VAL A 41 -1.569 -2.050 1.646 1.00 0.00 C ATOM 652 CG2 VAL A 41 -2.174 0.335 2.042 1.00 0.00 C ATOM 0 H VAL A 41 -4.711 -0.711 2.406 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.912 -2.445 3.961 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.061 -0.905 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.712 -1.711 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.327 -2.995 2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.423 -2.191 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.304 0.628 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.044 0.257 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.363 1.086 2.810 1.00 0.00 H new ATOM 662 N ARG A 42 -2.406 -0.443 5.613 1.00 0.00 N ATOM 663 CA ARG A 42 -2.461 0.475 6.735 1.00 0.00 C ATOM 664 C ARG A 42 -2.013 1.864 6.322 1.00 0.00 C ATOM 665 O ARG A 42 -1.012 2.022 5.622 1.00 0.00 O ATOM 666 CB ARG A 42 -1.552 0.004 7.872 1.00 0.00 C ATOM 667 CG ARG A 42 -2.027 -1.229 8.613 1.00 0.00 C ATOM 668 CD ARG A 42 -0.990 -1.659 9.641 1.00 0.00 C ATOM 669 NE ARG A 42 -1.515 -2.637 10.589 1.00 0.00 N ATOM 670 CZ ARG A 42 -0.760 -3.501 11.267 1.00 0.00 C ATOM 671 NH1 ARG A 42 0.551 -3.566 11.064 1.00 0.00 N ATOM 672 NH2 ARG A 42 -1.320 -4.309 12.153 1.00 0.00 N ATOM 0 H ARG A 42 -1.591 -1.056 5.612 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.497 0.503 7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.562 -0.197 7.464 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.442 0.818 8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.976 -1.021 9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.207 -2.039 7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.127 -2.083 9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.638 -0.783 10.185 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.523 -2.661 10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.993 -2.950 10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.116 -4.232 11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.326 -4.269 12.315 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.745 -4.972 12.674 1.00 0.00 H new ATOM 686 N VAL A 43 -2.758 2.858 6.758 1.00 0.00 N ATOM 687 CA VAL A 43 -2.323 4.239 6.662 1.00 0.00 C ATOM 688 C VAL A 43 -2.393 4.874 8.043 1.00 0.00 C ATOM 689 O VAL A 43 -3.285 4.561 8.837 1.00 0.00 O ATOM 690 CB VAL A 43 -3.171 5.063 5.662 1.00 0.00 C ATOM 691 CG1 VAL A 43 -2.992 4.539 4.244 1.00 0.00 C ATOM 692 CG2 VAL A 43 -4.641 5.055 6.056 1.00 0.00 C ATOM 0 H VAL A 43 -3.676 2.735 7.186 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.300 4.242 6.286 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.819 6.094 5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.597 5.132 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.942 4.612 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.309 3.497 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.214 5.641 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.010 4.029 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.754 5.489 7.050 1.00 0.00 H new ATOM 702 N VAL A 44 -1.449 5.745 8.340 1.00 0.00 N ATOM 703 CA VAL A 44 -1.412 6.382 9.645 1.00 0.00 C ATOM 704 C VAL A 44 -1.796 7.855 9.542 1.00 0.00 C ATOM 705 O VAL A 44 -1.375 8.567 8.625 1.00 0.00 O ATOM 706 CB VAL A 44 -0.026 6.223 10.324 1.00 0.00 C ATOM 707 CG1 VAL A 44 1.073 6.863 9.497 1.00 0.00 C ATOM 708 CG2 VAL A 44 -0.034 6.799 11.734 1.00 0.00 C ATOM 0 H VAL A 44 -0.703 6.027 7.704 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.145 5.877 10.274 1.00 0.00 H new ATOM 0 HB VAL A 44 0.180 5.155 10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.030 6.733 10.002 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.113 6.390 8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.867 7.927 9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.951 6.673 12.184 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.281 7.860 11.692 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.778 6.277 12.336 1.00 0.00 H new ATOM 718 N LEU A 45 -2.625 8.290 10.473 1.00 0.00 N ATOM 719 CA LEU A 45 -3.099 9.660 10.509 1.00 0.00 C ATOM 720 C LEU A 45 -2.289 10.478 11.505 1.00 0.00 C ATOM 721 O LEU A 45 -1.933 9.982 12.576 1.00 0.00 O ATOM 722 CB LEU A 45 -4.576 9.671 10.903 1.00 0.00 C ATOM 723 CG LEU A 45 -5.524 9.006 9.902 1.00 0.00 C ATOM 724 CD1 LEU A 45 -6.936 8.959 10.457 1.00 0.00 C ATOM 725 CD2 LEU A 45 -5.497 9.739 8.570 1.00 0.00 C ATOM 0 H LEU A 45 -2.988 7.704 11.225 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.980 10.105 9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.682 9.172 11.866 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.890 10.705 11.044 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.185 7.983 9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.596 8.483 9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.943 8.387 11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.284 9.973 10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.177 9.251 7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.809 10.773 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.486 9.719 8.164 1.00 0.00 H new ATOM 737 N PRO A 46 -2.017 11.755 11.184 1.00 0.00 N ATOM 738 CA PRO A 46 -1.229 12.644 12.049 1.00 0.00 C ATOM 739 C PRO A 46 -1.944 12.961 13.359 1.00 0.00 C ATOM 740 O PRO A 46 -1.332 13.426 14.324 1.00 0.00 O ATOM 741 CB PRO A 46 -1.060 13.913 11.206 1.00 0.00 C ATOM 742 CG PRO A 46 -2.193 13.884 10.240 1.00 0.00 C ATOM 743 CD PRO A 46 -2.446 12.433 9.945 1.00 0.00 C ATOM 0 HA PRO A 46 -0.284 12.189 12.345 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.093 14.808 11.828 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.100 13.919 10.689 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.079 14.357 10.663 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.944 14.430 9.330 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.497 12.244 9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.875 12.092 9.081 1.00 0.00 H new ATOM 751 N ASP A 47 -3.241 12.685 13.389 1.00 0.00 N ATOM 752 CA ASP A 47 -4.047 12.907 14.581 1.00 0.00 C ATOM 753 C ASP A 47 -3.772 11.823 15.620 1.00 0.00 C ATOM 754 O ASP A 47 -4.082 11.978 16.803 1.00 0.00 O ATOM 755 CB ASP A 47 -5.530 12.921 14.204 1.00 0.00 C ATOM 756 CG ASP A 47 -6.437 13.252 15.371 1.00 0.00 C ATOM 757 OD1 ASP A 47 -6.331 14.376 15.910 1.00 0.00 O ATOM 758 OD2 ASP A 47 -7.279 12.406 15.736 1.00 0.00 O ATOM 0 H ASP A 47 -3.759 12.305 12.597 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.781 13.871 15.015 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.690 13.650 13.409 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.806 11.946 13.802 1.00 0.00 H new ATOM 763 N GLY A 48 -3.156 10.734 15.171 1.00 0.00 N ATOM 764 CA GLY A 48 -2.852 9.632 16.061 1.00 0.00 C ATOM 765 C GLY A 48 -3.788 8.464 15.861 1.00 0.00 C ATOM 766 O GLY A 48 -4.399 7.977 16.811 1.00 0.00 O ATOM 0 H GLY A 48 -2.862 10.596 14.204 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.825 9.306 15.895 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.915 9.973 17.094 1.00 0.00 H new ATOM 770 N THR A 49 -3.921 8.016 14.624 1.00 0.00 N ATOM 771 CA THR A 49 -4.792 6.891 14.320 1.00 0.00 C ATOM 772 C THR A 49 -4.214 6.059 13.182 1.00 0.00 C ATOM 773 O THR A 49 -3.446 6.565 12.362 1.00 0.00 O ATOM 774 CB THR A 49 -6.205 7.364 13.928 1.00 0.00 C ATOM 775 OG1 THR A 49 -6.573 8.509 14.706 1.00 0.00 O ATOM 776 CG2 THR A 49 -7.232 6.260 14.146 1.00 0.00 C ATOM 0 H THR A 49 -3.440 8.411 13.816 1.00 0.00 H new ATOM 0 HA THR A 49 -4.861 6.283 15.222 1.00 0.00 H new ATOM 0 HB THR A 49 -6.189 7.625 12.870 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.472 8.804 14.449 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.220 6.621 13.861 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.972 5.395 13.535 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.240 5.973 15.197 1.00 0.00 H new ATOM 784 N ILE A 50 -4.574 4.790 13.142 1.00 0.00 N ATOM 785 CA ILE A 50 -4.138 3.897 12.081 1.00 0.00 C ATOM 786 C ILE A 50 -5.348 3.197 11.484 1.00 0.00 C ATOM 787 O ILE A 50 -6.049 2.460 12.179 1.00 0.00 O ATOM 788 CB ILE A 50 -3.133 2.837 12.594 1.00 0.00 C ATOM 789 CG1 ILE A 50 -1.917 3.518 13.236 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.691 1.919 11.458 1.00 0.00 C ATOM 791 CD1 ILE A 50 -0.933 2.554 13.868 1.00 0.00 C ATOM 0 H ILE A 50 -5.174 4.349 13.839 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.633 4.498 11.325 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.631 2.231 13.350 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.399 4.104 12.477 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.265 4.217 13.997 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.985 1.182 11.840 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.560 1.409 11.044 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.211 2.510 10.678 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.102 3.113 14.300 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.433 1.985 14.651 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.554 1.870 13.108 1.00 0.00 H new ATOM 803 N LYS A 51 -5.598 3.438 10.213 1.00 0.00 N ATOM 804 CA LYS A 51 -6.764 2.876 9.552 1.00 0.00 C ATOM 805 C LYS A 51 -6.337 2.017 8.374 1.00 0.00 C ATOM 806 O LYS A 51 -5.371 2.332 7.678 1.00 0.00 O ATOM 807 CB LYS A 51 -7.705 3.997 9.090 1.00 0.00 C ATOM 808 CG LYS A 51 -9.036 3.505 8.527 1.00 0.00 C ATOM 809 CD LYS A 51 -9.955 4.660 8.169 1.00 0.00 C ATOM 810 CE LYS A 51 -11.282 4.164 7.616 1.00 0.00 C ATOM 811 NZ LYS A 51 -12.200 5.284 7.272 1.00 0.00 N ATOM 0 H LYS A 51 -5.011 4.019 9.615 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.301 2.246 10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.903 4.660 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.199 4.590 8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.854 2.897 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.526 2.863 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.134 5.272 9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.468 5.299 7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.100 3.559 6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.761 3.516 8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.092 4.900 6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.395 5.847 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.755 5.889 6.552 1.00 0.00 H new ATOM 825 N ARG A 52 -7.044 0.923 8.168 1.00 0.00 N ATOM 826 CA ARG A 52 -6.766 0.034 7.053 1.00 0.00 C ATOM 827 C ARG A 52 -7.778 0.280 5.951 1.00 0.00 C ATOM 828 O ARG A 52 -8.980 0.114 6.153 1.00 0.00 O ATOM 829 CB ARG A 52 -6.830 -1.421 7.506 1.00 0.00 C ATOM 830 CG ARG A 52 -6.010 -1.693 8.748 1.00 0.00 C ATOM 831 CD ARG A 52 -6.222 -3.107 9.246 1.00 0.00 C ATOM 832 NE ARG A 52 -5.758 -3.257 10.623 1.00 0.00 N ATOM 833 CZ ARG A 52 -5.744 -4.409 11.292 1.00 0.00 C ATOM 834 NH1 ARG A 52 -6.185 -5.526 10.723 1.00 0.00 N ATOM 835 NH2 ARG A 52 -5.296 -4.441 12.539 1.00 0.00 N ATOM 0 H ARG A 52 -7.819 0.626 8.761 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.763 0.234 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.869 -1.690 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.478 -2.063 6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.953 -1.536 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.284 -0.985 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.280 -3.362 9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.689 -3.806 8.602 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.422 -2.423 11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.538 -5.506 9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.170 -6.403 11.243 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.963 -3.585 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.284 -5.321 13.054 1.00 0.00 H new ATOM 849 N MET A 53 -7.301 0.681 4.793 1.00 0.00 N ATOM 850 CA MET A 53 -8.199 1.060 3.705 1.00 0.00 C ATOM 851 C MET A 53 -7.776 0.445 2.384 1.00 0.00 C ATOM 852 O MET A 53 -6.608 0.108 2.184 1.00 0.00 O ATOM 853 CB MET A 53 -8.282 2.585 3.558 1.00 0.00 C ATOM 854 CG MET A 53 -8.921 3.280 4.750 1.00 0.00 C ATOM 855 SD MET A 53 -9.267 5.027 4.444 1.00 0.00 S ATOM 856 CE MET A 53 -7.635 5.628 4.012 1.00 0.00 C ATOM 0 H MET A 53 -6.308 0.755 4.574 1.00 0.00 H new ATOM 0 HA MET A 53 -9.184 0.674 3.965 1.00 0.00 H new ATOM 0 HB2 MET A 53 -7.277 2.982 3.413 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.852 2.824 2.660 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.850 2.770 5.006 1.00 0.00 H new ATOM 0 HG3 MET A 53 -8.261 3.191 5.613 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.436 6.557 4.546 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.888 4.884 4.289 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.586 5.809 2.938 1.00 0.00 H new ATOM 866 N ARG A 54 -8.744 0.299 1.490 1.00 0.00 N ATOM 867 CA ARG A 54 -8.507 -0.239 0.160 1.00 0.00 C ATOM 868 C ARG A 54 -7.844 0.810 -0.721 1.00 0.00 C ATOM 869 O ARG A 54 -8.420 1.865 -0.992 1.00 0.00 O ATOM 870 CB ARG A 54 -9.833 -0.694 -0.450 1.00 0.00 C ATOM 871 CG ARG A 54 -10.434 -1.904 0.249 1.00 0.00 C ATOM 872 CD ARG A 54 -11.912 -2.064 -0.070 1.00 0.00 C ATOM 873 NE ARG A 54 -12.722 -1.013 0.545 1.00 0.00 N ATOM 874 CZ ARG A 54 -14.050 -1.058 0.647 1.00 0.00 C ATOM 875 NH1 ARG A 54 -14.720 -2.102 0.171 1.00 0.00 N ATOM 876 NH2 ARG A 54 -14.708 -0.059 1.222 1.00 0.00 N ATOM 0 H ARG A 54 -9.716 0.551 1.668 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.838 -1.096 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.545 0.130 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.678 -0.931 -1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.897 -2.803 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.304 -1.803 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.054 -2.045 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.255 -3.038 0.280 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.241 -0.195 0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.218 -2.871 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.736 -2.135 0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.197 0.745 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.724 -0.095 1.299 1.00 0.00 H new ATOM 890 N VAL A 55 -6.627 0.523 -1.149 1.00 0.00 N ATOM 891 CA VAL A 55 -5.857 1.457 -1.955 1.00 0.00 C ATOM 892 C VAL A 55 -5.567 0.844 -3.322 1.00 0.00 C ATOM 893 O VAL A 55 -5.448 -0.376 -3.452 1.00 0.00 O ATOM 894 CB VAL A 55 -4.523 1.833 -1.261 1.00 0.00 C ATOM 895 CG1 VAL A 55 -3.806 2.950 -2.006 1.00 0.00 C ATOM 896 CG2 VAL A 55 -4.756 2.229 0.191 1.00 0.00 C ATOM 0 H VAL A 55 -6.147 -0.355 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.448 2.365 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.885 0.949 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.874 3.190 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.587 2.627 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.442 3.835 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.804 2.488 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.425 3.089 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.206 1.394 0.728 1.00 0.00 H new ATOM 906 N CYS A 56 -5.481 1.684 -4.340 1.00 0.00 N ATOM 907 CA CYS A 56 -5.175 1.220 -5.681 1.00 0.00 C ATOM 908 C CYS A 56 -3.672 1.248 -5.928 1.00 0.00 C ATOM 909 O CYS A 56 -2.944 2.008 -5.288 1.00 0.00 O ATOM 910 CB CYS A 56 -5.906 2.079 -6.714 1.00 0.00 C ATOM 911 SG CYS A 56 -5.649 3.852 -6.515 1.00 0.00 S ATOM 0 H CYS A 56 -5.619 2.692 -4.262 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.516 0.190 -5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.579 1.785 -7.711 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.974 1.869 -6.654 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.924 4.298 -7.497 1.00 0.00 H new ATOM 917 N THR A 57 -3.218 0.426 -6.863 1.00 0.00 N ATOM 918 CA THR A 57 -1.806 0.321 -7.193 1.00 0.00 C ATOM 919 C THR A 57 -1.236 1.642 -7.705 1.00 0.00 C ATOM 920 O THR A 57 -0.043 1.911 -7.557 1.00 0.00 O ATOM 921 CB THR A 57 -1.598 -0.782 -8.238 1.00 0.00 C ATOM 922 OG1 THR A 57 -2.791 -0.923 -9.024 1.00 0.00 O ATOM 923 CG2 THR A 57 -1.253 -2.109 -7.573 1.00 0.00 C ATOM 0 H THR A 57 -3.819 -0.187 -7.414 1.00 0.00 H new ATOM 0 HA THR A 57 -1.270 0.068 -6.278 1.00 0.00 H new ATOM 0 HB THR A 57 -0.764 -0.501 -8.881 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.142 -1.833 -8.926 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.111 -2.873 -8.337 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.335 -1.999 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.066 -2.406 -6.910 1.00 0.00 H new ATOM 931 N SER A 58 -2.090 2.471 -8.287 1.00 0.00 N ATOM 932 CA SER A 58 -1.674 3.779 -8.764 1.00 0.00 C ATOM 933 C SER A 58 -1.232 4.669 -7.598 1.00 0.00 C ATOM 934 O SER A 58 -0.225 5.370 -7.689 1.00 0.00 O ATOM 935 CB SER A 58 -2.813 4.425 -9.557 1.00 0.00 C ATOM 936 OG SER A 58 -4.077 4.096 -8.995 1.00 0.00 O ATOM 0 H SER A 58 -3.076 2.260 -8.440 1.00 0.00 H new ATOM 0 HA SER A 58 -0.816 3.660 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.686 5.508 -9.566 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.774 4.091 -10.594 1.00 0.00 H new ATOM 0 HG SER A 58 -4.788 4.522 -9.518 1.00 0.00 H new ATOM 942 N CYS A 59 -1.972 4.613 -6.496 1.00 0.00 N ATOM 943 CA CYS A 59 -1.619 5.359 -5.302 1.00 0.00 C ATOM 944 C CYS A 59 -0.447 4.696 -4.584 1.00 0.00 C ATOM 945 O CYS A 59 0.397 5.375 -3.994 1.00 0.00 O ATOM 946 CB CYS A 59 -2.827 5.459 -4.371 1.00 0.00 C ATOM 947 SG CYS A 59 -4.195 6.443 -5.032 1.00 0.00 S ATOM 0 H CYS A 59 -2.822 4.056 -6.409 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.317 6.364 -5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.189 4.454 -4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.507 5.893 -3.424 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.060 5.657 -5.601 1.00 0.00 H new ATOM 953 N LEU A 60 -0.405 3.366 -4.641 1.00 0.00 N ATOM 954 CA LEU A 60 0.678 2.597 -4.033 1.00 0.00 C ATOM 955 C LEU A 60 2.032 2.986 -4.622 1.00 0.00 C ATOM 956 O LEU A 60 2.972 3.305 -3.893 1.00 0.00 O ATOM 957 CB LEU A 60 0.453 1.096 -4.239 1.00 0.00 C ATOM 958 CG LEU A 60 -0.742 0.488 -3.500 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.891 -0.978 -3.864 1.00 0.00 C ATOM 960 CD2 LEU A 60 -0.585 0.639 -1.995 1.00 0.00 C ATOM 0 H LEU A 60 -1.113 2.797 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 60 0.680 2.823 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.327 0.911 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.354 0.568 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.640 1.025 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.744 -1.400 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.050 -1.072 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.014 -1.516 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.447 0.199 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.323 0.130 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.518 1.697 -1.740 1.00 0.00 H new ATOM 972 N LYS A 61 2.122 2.966 -5.945 1.00 0.00 N ATOM 973 CA LYS A 61 3.383 3.215 -6.634 1.00 0.00 C ATOM 974 C LYS A 61 3.799 4.683 -6.574 1.00 0.00 C ATOM 975 O LYS A 61 4.991 4.987 -6.509 1.00 0.00 O ATOM 976 CB LYS A 61 3.301 2.751 -8.088 1.00 0.00 C ATOM 977 CG LYS A 61 3.428 1.245 -8.249 1.00 0.00 C ATOM 978 CD LYS A 61 3.265 0.827 -9.699 1.00 0.00 C ATOM 979 CE LYS A 61 3.665 -0.626 -9.915 1.00 0.00 C ATOM 980 NZ LYS A 61 5.119 -0.845 -9.673 1.00 0.00 N ATOM 0 H LYS A 61 1.334 2.779 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 61 4.148 2.638 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.351 3.075 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.089 3.238 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.401 0.919 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.674 0.748 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.228 0.968 -10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.874 1.470 -10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.086 -1.265 -9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.418 -0.923 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.417 -1.732 -10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.661 -0.053 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.296 -0.903 -8.650 1.00 0.00 H new ATOM 994 N SER A 62 2.830 5.590 -6.594 1.00 0.00 N ATOM 995 CA SER A 62 3.141 7.013 -6.559 1.00 0.00 C ATOM 996 C SER A 62 3.583 7.444 -5.163 1.00 0.00 C ATOM 997 O SER A 62 4.306 8.429 -5.009 1.00 0.00 O ATOM 998 CB SER A 62 1.941 7.843 -7.024 1.00 0.00 C ATOM 999 OG SER A 62 0.748 7.451 -6.365 1.00 0.00 O ATOM 0 H SER A 62 1.835 5.370 -6.634 1.00 0.00 H new ATOM 0 HA SER A 62 3.969 7.191 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.133 8.899 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.816 7.731 -8.101 1.00 0.00 H new ATOM 0 HG SER A 62 0.306 6.745 -6.881 1.00 0.00 H new ATOM 1005 N GLY A 63 3.154 6.696 -4.151 1.00 0.00 N ATOM 1006 CA GLY A 63 3.548 6.993 -2.787 1.00 0.00 C ATOM 1007 C GLY A 63 2.814 8.191 -2.226 1.00 0.00 C ATOM 1008 O GLY A 63 3.413 9.054 -1.583 1.00 0.00 O ATOM 0 H GLY A 63 2.539 5.888 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.355 6.124 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.622 7.179 -2.753 1.00 0.00 H new ATOM 1012 N LYS A 64 1.513 8.244 -2.468 1.00 0.00 N ATOM 1013 CA LYS A 64 0.689 9.350 -1.992 1.00 0.00 C ATOM 1014 C LYS A 64 0.032 8.976 -0.659 1.00 0.00 C ATOM 1015 O LYS A 64 -0.861 9.665 -0.168 1.00 0.00 O ATOM 1016 CB LYS A 64 -0.372 9.695 -3.048 1.00 0.00 C ATOM 1017 CG LYS A 64 -0.596 11.192 -3.249 1.00 0.00 C ATOM 1018 CD LYS A 64 -1.281 11.828 -2.052 1.00 0.00 C ATOM 1019 CE LYS A 64 -1.443 13.326 -2.220 1.00 0.00 C ATOM 1020 NZ LYS A 64 -2.262 13.675 -3.408 1.00 0.00 N ATOM 0 H LYS A 64 1.002 7.534 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 64 1.315 10.227 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.078 9.253 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.317 9.234 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.362 11.682 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.202 11.352 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.260 11.371 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.701 11.625 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.908 13.741 -1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.460 13.787 -2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.473 14.693 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.736 13.439 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.152 13.137 -3.386 1.00 0.00 H new ATOM 1034 N VAL A 65 0.493 7.885 -0.069 1.00 0.00 N ATOM 1035 CA VAL A 65 -0.064 7.403 1.184 1.00 0.00 C ATOM 1036 C VAL A 65 1.008 7.339 2.267 1.00 0.00 C ATOM 1037 O VAL A 65 2.148 6.948 2.007 1.00 0.00 O ATOM 1038 CB VAL A 65 -0.719 6.012 1.022 1.00 0.00 C ATOM 1039 CG1 VAL A 65 -1.920 6.085 0.094 1.00 0.00 C ATOM 1040 CG2 VAL A 65 0.287 4.992 0.510 1.00 0.00 C ATOM 0 H VAL A 65 1.254 7.315 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.835 8.113 1.483 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.063 5.689 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.364 5.095 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.657 6.774 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.601 6.439 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.199 4.022 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.670 5.313 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.113 4.909 1.217 1.00 0.00 H new ATOM 1050 N LYS A 66 0.648 7.754 3.474 1.00 0.00 N ATOM 1051 CA LYS A 66 1.537 7.617 4.618 1.00 0.00 C ATOM 1052 C LYS A 66 1.344 6.230 5.224 1.00 0.00 C ATOM 1053 O LYS A 66 0.405 5.989 5.985 1.00 0.00 O ATOM 1054 CB LYS A 66 1.276 8.726 5.645 1.00 0.00 C ATOM 1055 CG LYS A 66 2.255 8.721 6.805 1.00 0.00 C ATOM 1056 CD LYS A 66 2.110 9.954 7.690 1.00 0.00 C ATOM 1057 CE LYS A 66 2.841 11.168 7.120 1.00 0.00 C ATOM 1058 NZ LYS A 66 2.169 11.743 5.923 1.00 0.00 N ATOM 0 H LYS A 66 -0.251 8.187 3.685 1.00 0.00 H new ATOM 0 HA LYS A 66 2.574 7.722 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.324 9.693 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.264 8.619 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.099 7.825 7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.273 8.672 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.053 10.192 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.499 9.733 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.916 11.935 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.859 10.881 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.339 12.768 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.552 11.300 5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.146 11.563 5.979 1.00 0.00 H new ATOM 1072 N LYS A 67 2.245 5.328 4.869 1.00 0.00 N ATOM 1073 CA LYS A 67 2.060 3.900 5.106 1.00 0.00 C ATOM 1074 C LYS A 67 2.711 3.448 6.417 1.00 0.00 C ATOM 1075 O LYS A 67 3.160 2.305 6.534 1.00 0.00 O ATOM 1076 CB LYS A 67 2.657 3.134 3.922 1.00 0.00 C ATOM 1077 CG LYS A 67 2.088 1.741 3.717 1.00 0.00 C ATOM 1078 CD LYS A 67 2.777 1.038 2.561 1.00 0.00 C ATOM 1079 CE LYS A 67 2.142 -0.307 2.255 1.00 0.00 C ATOM 1080 NZ LYS A 67 2.873 -1.025 1.177 1.00 0.00 N ATOM 0 H LYS A 67 3.125 5.562 4.409 1.00 0.00 H new ATOM 0 HA LYS A 67 0.994 3.692 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.497 3.714 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.735 3.054 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.211 1.156 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.018 1.806 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.733 1.670 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.831 0.896 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.131 -0.918 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.104 -0.160 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.412 -1.939 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.862 -0.452 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.857 -1.187 1.473 1.00 0.00 H new ATOM 1094 N TYR A 68 2.757 4.354 7.397 1.00 0.00 N ATOM 1095 CA TYR A 68 3.295 4.049 8.730 1.00 0.00 C ATOM 1096 C TYR A 68 4.804 3.772 8.670 1.00 0.00 C ATOM 1097 O TYR A 68 5.404 3.326 9.649 1.00 0.00 O ATOM 1098 CB TYR A 68 2.532 2.855 9.344 1.00 0.00 C ATOM 1099 CG TYR A 68 2.803 2.602 10.812 1.00 0.00 C ATOM 1100 CD1 TYR A 68 2.422 3.526 11.778 1.00 0.00 C ATOM 1101 CD2 TYR A 68 3.433 1.436 11.231 1.00 0.00 C ATOM 1102 CE1 TYR A 68 2.657 3.292 13.119 1.00 0.00 C ATOM 1103 CE2 TYR A 68 3.667 1.194 12.569 1.00 0.00 C ATOM 1104 CZ TYR A 68 3.283 2.126 13.508 1.00 0.00 C ATOM 1105 OH TYR A 68 3.511 1.883 14.844 1.00 0.00 O ATOM 0 H TYR A 68 2.426 5.313 7.293 1.00 0.00 H new ATOM 0 HA TYR A 68 3.152 4.920 9.370 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.463 3.021 9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.786 1.955 8.784 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.935 4.441 11.475 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.744 0.707 10.497 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.352 4.018 13.859 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.149 0.278 12.879 1.00 0.00 H new ATOM 0 HH TYR A 68 3.960 1.018 14.947 1.00 0.00 H new ATOM 1115 N VAL A 69 5.410 4.091 7.528 1.00 0.00 N ATOM 1116 CA VAL A 69 6.834 3.855 7.287 1.00 0.00 C ATOM 1117 C VAL A 69 7.167 2.361 7.309 1.00 0.00 C ATOM 1118 O VAL A 69 7.287 1.753 8.374 1.00 0.00 O ATOM 1119 CB VAL A 69 7.732 4.599 8.306 1.00 0.00 C ATOM 1120 CG1 VAL A 69 9.203 4.358 8.004 1.00 0.00 C ATOM 1121 CG2 VAL A 69 7.429 6.089 8.308 1.00 0.00 C ATOM 0 H VAL A 69 4.926 4.522 6.740 1.00 0.00 H new ATOM 0 HA VAL A 69 7.043 4.252 6.293 1.00 0.00 H new ATOM 0 HB VAL A 69 7.514 4.203 9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.816 4.890 8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.416 3.291 8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.433 4.721 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.072 6.590 9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.612 6.499 7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.385 6.248 8.579 1.00 0.00 H new ATOM 1131 N GLY A 70 7.304 1.775 6.127 1.00 0.00 N ATOM 1132 CA GLY A 70 7.650 0.371 6.034 1.00 0.00 C ATOM 1133 C GLY A 70 7.662 -0.134 4.607 1.00 0.00 C ATOM 1134 O GLY A 70 6.614 -0.226 3.965 1.00 0.00 O ATOM 0 H GLY A 70 7.182 2.247 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.632 0.213 6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.938 -0.214 6.616 1.00 0.00 H new ATOM 1138 N GLN A 71 8.845 -0.446 4.102 1.00 0.00 N ATOM 1139 CA GLN A 71 8.982 -1.008 2.767 1.00 0.00 C ATOM 1140 C GLN A 71 9.072 -2.527 2.850 1.00 0.00 C ATOM 1141 O GLN A 71 10.097 -3.077 3.258 1.00 0.00 O ATOM 1142 CB GLN A 71 10.217 -0.447 2.059 1.00 0.00 C ATOM 1143 CG GLN A 71 10.185 1.061 1.870 1.00 0.00 C ATOM 1144 CD GLN A 71 11.390 1.575 1.104 1.00 0.00 C ATOM 1145 OE1 GLN A 71 11.365 1.677 -0.125 1.00 0.00 O ATOM 1146 NE2 GLN A 71 12.455 1.888 1.822 1.00 0.00 N ATOM 0 H GLN A 71 9.727 -0.319 4.598 1.00 0.00 H new ATOM 0 HA GLN A 71 8.102 -0.730 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.105 -0.713 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.313 -0.924 1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.275 1.338 1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.144 1.546 2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.433 1.789 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.299 2.229 1.361 1.00 0.00 H new ATOM 1155 N VAL A 72 7.993 -3.198 2.479 1.00 0.00 N ATOM 1156 CA VAL A 72 7.928 -4.649 2.562 1.00 0.00 C ATOM 1157 C VAL A 72 8.532 -5.297 1.319 1.00 0.00 C ATOM 1158 O VAL A 72 8.049 -5.097 0.203 1.00 0.00 O ATOM 1159 CB VAL A 72 6.473 -5.140 2.735 1.00 0.00 C ATOM 1160 CG1 VAL A 72 6.421 -6.658 2.854 1.00 0.00 C ATOM 1161 CG2 VAL A 72 5.829 -4.486 3.949 1.00 0.00 C ATOM 0 H VAL A 72 7.147 -2.759 2.116 1.00 0.00 H new ATOM 0 HA VAL A 72 8.506 -4.943 3.438 1.00 0.00 H new ATOM 0 HB VAL A 72 5.910 -4.851 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.386 -6.978 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.837 -7.108 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.002 -6.975 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.805 -4.844 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.397 -4.741 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.824 -3.404 3.819 1.00 0.00 H new ATOM 1171 N SER A 73 9.598 -6.052 1.521 1.00 0.00 N ATOM 1172 CA SER A 73 10.205 -6.825 0.456 1.00 0.00 C ATOM 1173 C SER A 73 10.778 -8.110 1.042 1.00 0.00 C ATOM 1174 O SER A 73 11.523 -8.067 2.023 1.00 0.00 O ATOM 1175 CB SER A 73 11.306 -6.013 -0.234 1.00 0.00 C ATOM 1176 OG SER A 73 11.769 -6.658 -1.414 1.00 0.00 O ATOM 0 H SER A 73 10.064 -6.145 2.424 1.00 0.00 H new ATOM 0 HA SER A 73 9.450 -7.071 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.926 -5.023 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.139 -5.870 0.454 1.00 0.00 H new ATOM 0 HG SER A 73 12.469 -6.114 -1.831 1.00 0.00 H new ATOM 1182 N GLU A 74 10.421 -9.244 0.461 1.00 0.00 N ATOM 1183 CA GLU A 74 10.854 -10.530 0.990 1.00 0.00 C ATOM 1184 C GLU A 74 12.151 -10.970 0.324 1.00 0.00 C ATOM 1185 O GLU A 74 12.276 -10.941 -0.905 1.00 0.00 O ATOM 1186 CB GLU A 74 9.765 -11.591 0.789 1.00 0.00 C ATOM 1187 CG GLU A 74 10.041 -12.898 1.525 1.00 0.00 C ATOM 1188 CD GLU A 74 8.932 -13.922 1.356 1.00 0.00 C ATOM 1189 OE1 GLU A 74 7.842 -13.733 1.943 1.00 0.00 O ATOM 1190 OE2 GLU A 74 9.145 -14.927 0.647 1.00 0.00 O ATOM 0 H GLU A 74 9.836 -9.302 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 74 11.033 -10.418 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.810 -11.188 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.664 -11.798 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.977 -13.322 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.176 -12.689 2.586 1.00 0.00 H new ATOM 1197 N VAL A 75 13.119 -11.369 1.140 1.00 0.00 N ATOM 1198 CA VAL A 75 14.413 -11.817 0.638 1.00 0.00 C ATOM 1199 C VAL A 75 14.288 -13.182 -0.034 1.00 0.00 C ATOM 1200 O VAL A 75 15.016 -13.494 -0.980 1.00 0.00 O ATOM 1201 CB VAL A 75 15.451 -11.899 1.780 1.00 0.00 C ATOM 1202 CG1 VAL A 75 16.839 -12.206 1.238 1.00 0.00 C ATOM 1203 CG2 VAL A 75 15.463 -10.610 2.587 1.00 0.00 C ATOM 0 H VAL A 75 13.032 -11.392 2.156 1.00 0.00 H new ATOM 0 HA VAL A 75 14.753 -11.086 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 75 15.160 -12.716 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 75 17.549 -12.258 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.822 -13.162 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.142 -11.419 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 75 16.200 -10.688 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 75 15.721 -9.775 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.476 -10.442 3.019 1.00 0.00 H new ATOM 1213 N GLY A 76 13.348 -13.982 0.459 1.00 0.00 N ATOM 1214 CA GLY A 76 13.130 -15.306 -0.085 1.00 0.00 C ATOM 1215 C GLY A 76 12.674 -15.265 -1.529 1.00 0.00 C ATOM 1216 O GLY A 76 11.888 -14.401 -1.918 1.00 0.00 O ATOM 0 H GLY A 76 12.730 -13.733 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.052 -15.882 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.383 -15.825 0.515 1.00 0.00 H new ATOM 1220 N SER A 77 13.172 -16.194 -2.323 1.00 0.00 N ATOM 1221 CA SER A 77 12.829 -16.266 -3.728 1.00 0.00 C ATOM 1222 C SER A 77 12.797 -17.726 -4.165 1.00 0.00 C ATOM 1223 O SER A 77 13.860 -18.259 -4.546 1.00 0.00 O ATOM 1224 CB SER A 77 13.842 -15.467 -4.558 1.00 0.00 C ATOM 1225 OG SER A 77 13.466 -15.410 -5.926 1.00 0.00 O ATOM 1226 OXT SER A 77 11.717 -18.345 -4.081 1.00 0.00 O ATOM 0 H SER A 77 13.822 -16.916 -2.013 1.00 0.00 H new ATOM 0 HA SER A 77 11.843 -15.830 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.923 -14.456 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.827 -15.924 -4.469 1.00 0.00 H new ATOM 0 HG SER A 77 14.131 -14.893 -6.427 1.00 0.00 H new TER 1232 SER A 77