USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 516 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.55 K(o=-1.6,f=0.078) USER MOD Single : A 65 LYS NZ :NH3+ -121:sc= 1.17 (180deg=-1.23) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -70:sc= 1.13 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 76:sc= 0.448 USER MOD Single : A 95 LYS NZ :NH3+ -160:sc= -0.0198 (180deg=-0.252) USER MOD Single : A 99 SER OG : rot -79:sc= -0.0761 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -143:sc= 1.1 (180deg=0.304) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.398 -14.222 -5.646 1.00 0.00 N ATOM 88 CA GLU A 53 -2.457 -13.349 -5.168 1.00 0.00 C ATOM 89 C GLU A 53 -2.130 -12.838 -3.764 1.00 0.00 C ATOM 90 O GLU A 53 -2.524 -13.448 -2.771 1.00 0.00 O ATOM 91 CB GLU A 53 -3.810 -14.063 -5.191 1.00 0.00 C ATOM 92 CG GLU A 53 -4.303 -14.259 -6.626 1.00 0.00 C ATOM 93 CD GLU A 53 -5.739 -14.787 -6.647 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.051 -15.616 -5.766 1.00 0.00 O ATOM 95 OE2 GLU A 53 -6.491 -14.347 -7.543 1.00 0.00 O ATOM 0 HA GLU A 53 -2.525 -12.492 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.723 -15.031 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.541 -13.483 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.252 -13.312 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.648 -14.957 -7.147 1.00 0.00 H new ATOM 102 N PHE A 54 -1.415 -11.724 -3.725 1.00 0.00 N ATOM 103 CA PHE A 54 -1.046 -11.115 -2.458 1.00 0.00 C ATOM 104 C PHE A 54 -1.692 -9.737 -2.305 1.00 0.00 C ATOM 105 O PHE A 54 -1.899 -9.031 -3.289 1.00 0.00 O ATOM 106 CB PHE A 54 0.475 -10.955 -2.465 1.00 0.00 C ATOM 107 CG PHE A 54 1.240 -12.274 -2.597 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.547 -12.762 -3.829 1.00 0.00 C ATOM 109 CD2 PHE A 54 1.613 -12.958 -1.482 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.257 -13.985 -3.952 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.323 -14.182 -1.604 1.00 0.00 C ATOM 112 CZ PHE A 54 2.629 -14.670 -2.837 1.00 0.00 C ATOM 0 H PHE A 54 -1.081 -11.227 -4.550 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.385 -11.739 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.757 -10.299 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.782 -10.460 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.250 -12.219 -4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.369 -12.570 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.502 -14.372 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.620 -14.725 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.167 -15.602 -2.930 1.00 0.00 H new ATOM 122 N ASP A 55 -1.994 -9.396 -1.060 1.00 0.00 N ATOM 123 CA ASP A 55 -2.610 -8.115 -0.764 1.00 0.00 C ATOM 124 C ASP A 55 -1.584 -7.203 -0.089 1.00 0.00 C ATOM 125 O ASP A 55 -0.762 -7.665 0.701 1.00 0.00 O ATOM 126 CB ASP A 55 -3.795 -8.279 0.190 1.00 0.00 C ATOM 127 CG ASP A 55 -4.951 -9.121 -0.353 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.650 -10.147 -1.004 1.00 0.00 O ATOM 129 OD2 ASP A 55 -6.110 -8.721 -0.109 1.00 0.00 O ATOM 0 H ASP A 55 -1.823 -9.985 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.960 -7.686 -1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.438 -8.733 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.175 -7.290 0.447 1.00 0.00 H new ATOM 134 N VAL A 56 -1.663 -5.924 -0.425 1.00 0.00 N ATOM 135 CA VAL A 56 -0.747 -4.944 0.136 1.00 0.00 C ATOM 136 C VAL A 56 -1.524 -3.986 1.041 1.00 0.00 C ATOM 137 O VAL A 56 -2.343 -3.202 0.564 1.00 0.00 O ATOM 138 CB VAL A 56 0.003 -4.227 -0.990 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.989 -3.202 -0.424 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.716 -5.230 -1.899 1.00 0.00 C ATOM 0 H VAL A 56 -2.347 -5.543 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 56 0.007 -5.433 0.752 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.729 -3.691 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.509 -2.706 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.446 -2.461 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.715 -3.708 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.241 -4.695 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.433 -5.806 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.017 -5.905 -2.342 1.00 0.00 H new ATOM 150 N ILE A 57 -1.239 -4.082 2.331 1.00 0.00 N ATOM 151 CA ILE A 57 -1.895 -3.228 3.307 1.00 0.00 C ATOM 152 C ILE A 57 -0.893 -2.202 3.838 1.00 0.00 C ATOM 153 O ILE A 57 0.301 -2.484 3.929 1.00 0.00 O ATOM 154 CB ILE A 57 -2.548 -4.073 4.404 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.883 -4.649 3.931 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.695 -3.272 5.699 1.00 0.00 C ATOM 157 CD1 ILE A 57 -4.047 -6.100 4.388 1.00 0.00 C ATOM 0 H ILE A 57 -0.563 -4.738 2.723 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.706 -2.669 2.839 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.893 -4.917 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.702 -4.046 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.940 -4.598 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.162 -3.896 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.711 -2.953 6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.317 -2.396 5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.005 -6.486 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.240 -6.705 3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.014 -6.145 5.477 1.00 0.00 H new ATOM 169 N LEU A 58 -1.414 -1.031 4.172 1.00 0.00 N ATOM 170 CA LEU A 58 -0.590 0.021 4.742 1.00 0.00 C ATOM 171 C LEU A 58 -0.907 0.160 6.233 1.00 0.00 C ATOM 172 O LEU A 58 -2.030 0.491 6.604 1.00 0.00 O ATOM 173 CB LEU A 58 -0.760 1.322 3.954 1.00 0.00 C ATOM 174 CG LEU A 58 -0.529 2.615 4.738 1.00 0.00 C ATOM 175 CD1 LEU A 58 0.946 2.772 5.113 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.055 3.826 3.964 1.00 0.00 C ATOM 0 H LEU A 58 -2.398 -0.787 4.059 1.00 0.00 H new ATOM 0 HA LEU A 58 0.466 -0.237 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.071 1.305 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.769 1.345 3.542 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.094 2.557 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.083 3.699 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.256 1.929 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.551 2.800 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.879 4.732 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.537 3.900 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.125 3.710 3.789 1.00 0.00 H new ATOM 188 N LYS A 59 0.106 -0.103 7.047 1.00 0.00 N ATOM 189 CA LYS A 59 -0.075 -0.103 8.488 1.00 0.00 C ATOM 190 C LYS A 59 0.398 1.237 9.057 1.00 0.00 C ATOM 191 O LYS A 59 -0.304 1.858 9.853 1.00 0.00 O ATOM 192 CB LYS A 59 0.618 -1.315 9.114 1.00 0.00 C ATOM 193 CG LYS A 59 -0.267 -2.560 9.023 1.00 0.00 C ATOM 194 CD LYS A 59 -0.905 -2.878 10.376 1.00 0.00 C ATOM 195 CE LYS A 59 -1.769 -4.139 10.291 1.00 0.00 C ATOM 196 NZ LYS A 59 -2.446 -4.391 11.582 1.00 0.00 N ATOM 0 H LYS A 59 1.053 -0.317 6.736 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.131 -0.202 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.565 -1.500 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.852 -1.106 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.046 -2.403 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.328 -3.410 8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.126 -3.016 11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.515 -2.036 10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.511 -4.026 9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.148 -4.995 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.028 -5.250 11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.733 -4.520 12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.053 -3.581 11.819 1.00 0.00 H new ATOM 210 N ALA A 60 1.582 1.642 8.626 1.00 0.00 N ATOM 211 CA ALA A 60 2.169 2.882 9.103 1.00 0.00 C ATOM 212 C ALA A 60 2.720 3.672 7.915 1.00 0.00 C ATOM 213 O ALA A 60 3.468 3.133 7.100 1.00 0.00 O ATOM 214 CB ALA A 60 3.245 2.570 10.146 1.00 0.00 C ATOM 0 H ALA A 60 2.152 1.133 7.951 1.00 0.00 H new ATOM 0 HA ALA A 60 1.415 3.501 9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.685 3.501 10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.796 2.035 10.983 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.021 1.951 9.695 1.00 0.00 H new ATOM 220 N ALA A 61 2.331 4.937 7.853 1.00 0.00 N ATOM 221 CA ALA A 61 2.790 5.810 6.787 1.00 0.00 C ATOM 222 C ALA A 61 4.248 6.196 7.042 1.00 0.00 C ATOM 223 O ALA A 61 5.008 6.422 6.101 1.00 0.00 O ATOM 224 CB ALA A 61 1.872 7.031 6.695 1.00 0.00 C ATOM 0 H ALA A 61 1.703 5.378 8.524 1.00 0.00 H new ATOM 0 HA ALA A 61 2.747 5.297 5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.217 7.686 5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.853 6.705 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.891 7.573 7.641 1.00 0.00 H new ATOM 230 N GLY A 62 4.596 6.259 8.318 1.00 0.00 N ATOM 231 CA GLY A 62 5.941 6.645 8.708 1.00 0.00 C ATOM 232 C GLY A 62 6.109 8.166 8.670 1.00 0.00 C ATOM 233 O GLY A 62 5.125 8.900 8.596 1.00 0.00 O ATOM 0 H GLY A 62 3.970 6.049 9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.152 6.277 9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.665 6.179 8.040 1.00 0.00 H new ATOM 237 N ALA A 63 7.363 8.592 8.720 1.00 0.00 N ATOM 238 CA ALA A 63 7.668 10.012 8.749 1.00 0.00 C ATOM 239 C ALA A 63 7.800 10.531 7.316 1.00 0.00 C ATOM 240 O ALA A 63 8.644 11.380 7.034 1.00 0.00 O ATOM 241 CB ALA A 63 8.937 10.245 9.571 1.00 0.00 C ATOM 0 H ALA A 63 8.178 7.979 8.741 1.00 0.00 H new ATOM 0 HA ALA A 63 6.862 10.567 9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.166 11.310 9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.782 9.886 10.589 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.768 9.705 9.118 1.00 0.00 H new ATOM 247 N ASN A 64 6.953 9.997 6.447 1.00 0.00 N ATOM 248 CA ASN A 64 6.971 10.387 5.047 1.00 0.00 C ATOM 249 C ASN A 64 5.582 10.169 4.443 1.00 0.00 C ATOM 250 O ASN A 64 5.438 9.463 3.447 1.00 0.00 O ATOM 251 CB ASN A 64 7.971 9.543 4.253 1.00 0.00 C ATOM 252 CG ASN A 64 8.666 10.382 3.180 1.00 0.00 C ATOM 253 OD1 ASN A 64 9.832 10.200 2.873 1.00 0.00 O ATOM 254 ND2 ASN A 64 7.889 11.310 2.630 1.00 0.00 N ATOM 0 H ASN A 64 6.250 9.298 6.686 1.00 0.00 H new ATOM 0 HA ASN A 64 7.262 11.436 4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.715 9.122 4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.455 8.704 3.786 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.262 11.923 1.904 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.920 11.409 2.933 1.00 0.00 H new ATOM 261 N LYS A 65 4.595 10.788 5.074 1.00 0.00 N ATOM 262 CA LYS A 65 3.216 10.628 4.644 1.00 0.00 C ATOM 263 C LYS A 65 3.052 11.217 3.241 1.00 0.00 C ATOM 264 O LYS A 65 2.227 10.746 2.459 1.00 0.00 O ATOM 265 CB LYS A 65 2.259 11.225 5.677 1.00 0.00 C ATOM 266 CG LYS A 65 0.966 10.413 5.762 1.00 0.00 C ATOM 267 CD LYS A 65 0.439 10.367 7.198 1.00 0.00 C ATOM 268 CE LYS A 65 -0.215 11.695 7.584 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.544 11.822 6.944 1.00 0.00 N ATOM 0 H LYS A 65 4.723 11.401 5.879 1.00 0.00 H new ATOM 0 HA LYS A 65 2.958 9.571 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.742 11.249 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.028 12.256 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.213 10.853 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.145 9.399 5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.285 9.558 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.258 10.148 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.319 11.755 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.423 12.524 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.561 12.672 6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.729 10.983 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.277 11.901 7.678 1.00 0.00 H new ATOM 283 N VAL A 66 3.852 12.236 2.965 1.00 0.00 N ATOM 284 CA VAL A 66 3.783 12.914 1.681 1.00 0.00 C ATOM 285 C VAL A 66 3.981 11.894 0.559 1.00 0.00 C ATOM 286 O VAL A 66 3.185 11.832 -0.376 1.00 0.00 O ATOM 287 CB VAL A 66 4.800 14.056 1.639 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.745 14.790 0.297 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.587 15.025 2.803 1.00 0.00 C ATOM 0 H VAL A 66 4.551 12.609 3.608 1.00 0.00 H new ATOM 0 HA VAL A 66 2.801 13.365 1.539 1.00 0.00 H new ATOM 0 HB VAL A 66 5.794 13.622 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.478 15.597 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.970 14.092 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.748 15.205 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.323 15.827 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.584 15.449 2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.701 14.491 3.746 1.00 0.00 H new ATOM 299 N ALA A 67 5.049 11.120 0.688 1.00 0.00 N ATOM 300 CA ALA A 67 5.402 10.154 -0.338 1.00 0.00 C ATOM 301 C ALA A 67 4.346 9.046 -0.374 1.00 0.00 C ATOM 302 O ALA A 67 4.022 8.529 -1.441 1.00 0.00 O ATOM 303 CB ALA A 67 6.806 9.613 -0.070 1.00 0.00 C ATOM 0 H ALA A 67 5.681 11.143 1.488 1.00 0.00 H new ATOM 0 HA ALA A 67 5.418 10.626 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.070 8.888 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.522 10.435 -0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.829 9.129 0.906 1.00 0.00 H new ATOM 309 N VAL A 68 3.841 8.715 0.806 1.00 0.00 N ATOM 310 CA VAL A 68 2.836 7.673 0.924 1.00 0.00 C ATOM 311 C VAL A 68 1.616 8.052 0.081 1.00 0.00 C ATOM 312 O VAL A 68 1.252 7.332 -0.847 1.00 0.00 O ATOM 313 CB VAL A 68 2.497 7.438 2.397 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.230 6.590 2.539 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.672 6.796 3.134 1.00 0.00 C ATOM 0 H VAL A 68 4.110 9.150 1.688 1.00 0.00 H new ATOM 0 HA VAL A 68 3.217 6.727 0.538 1.00 0.00 H new ATOM 0 HB VAL A 68 2.304 8.408 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.011 6.437 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.393 7.104 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.383 5.624 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.404 6.640 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.910 5.837 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.540 7.452 3.076 1.00 0.00 H new ATOM 325 N ILE A 69 1.018 9.178 0.436 1.00 0.00 N ATOM 326 CA ILE A 69 -0.176 9.641 -0.251 1.00 0.00 C ATOM 327 C ILE A 69 0.062 9.602 -1.761 1.00 0.00 C ATOM 328 O ILE A 69 -0.847 9.287 -2.528 1.00 0.00 O ATOM 329 CB ILE A 69 -0.595 11.017 0.271 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.161 10.918 1.689 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.574 11.693 -0.692 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.996 12.241 2.438 1.00 0.00 C ATOM 0 H ILE A 69 1.338 9.785 1.191 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.016 8.978 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 69 0.293 11.647 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.217 10.650 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.652 10.122 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.856 12.669 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.099 11.818 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.465 11.074 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.406 12.144 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.062 12.494 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.526 13.030 1.904 1.00 0.00 H new ATOM 344 N LYS A 70 1.288 9.924 -2.144 1.00 0.00 N ATOM 345 CA LYS A 70 1.657 9.930 -3.549 1.00 0.00 C ATOM 346 C LYS A 70 1.577 8.503 -4.098 1.00 0.00 C ATOM 347 O LYS A 70 0.922 8.260 -5.109 1.00 0.00 O ATOM 348 CB LYS A 70 3.025 10.588 -3.742 1.00 0.00 C ATOM 349 CG LYS A 70 2.899 12.111 -3.793 1.00 0.00 C ATOM 350 CD LYS A 70 4.272 12.771 -3.933 1.00 0.00 C ATOM 351 CE LYS A 70 4.734 12.772 -5.392 1.00 0.00 C ATOM 352 NZ LYS A 70 4.526 14.106 -6.000 1.00 0.00 N ATOM 0 H LYS A 70 2.040 10.183 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 70 0.956 10.534 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.688 10.302 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.480 10.226 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.266 12.399 -4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.410 12.469 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.227 13.795 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.999 12.240 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.789 12.501 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.182 12.019 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.845 14.090 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.516 14.350 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.072 14.817 -5.472 1.00 0.00 H new ATOM 366 N ALA A 71 2.254 7.599 -3.407 1.00 0.00 N ATOM 367 CA ALA A 71 2.276 6.206 -3.818 1.00 0.00 C ATOM 368 C ALA A 71 0.841 5.693 -3.943 1.00 0.00 C ATOM 369 O ALA A 71 0.516 4.966 -4.881 1.00 0.00 O ATOM 370 CB ALA A 71 3.101 5.392 -2.820 1.00 0.00 C ATOM 0 H ALA A 71 2.792 7.804 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 71 2.750 6.102 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.117 4.347 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.120 5.778 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.654 5.471 -1.829 1.00 0.00 H new ATOM 376 N VAL A 72 0.019 6.090 -2.983 1.00 0.00 N ATOM 377 CA VAL A 72 -1.372 5.669 -2.966 1.00 0.00 C ATOM 378 C VAL A 72 -2.069 6.172 -4.231 1.00 0.00 C ATOM 379 O VAL A 72 -2.433 5.382 -5.101 1.00 0.00 O ATOM 380 CB VAL A 72 -2.049 6.148 -1.679 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.546 5.835 -1.699 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.376 5.540 -0.447 1.00 0.00 C ATOM 0 H VAL A 72 0.289 6.699 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.441 4.581 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.935 7.230 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.003 6.185 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.012 6.338 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.691 4.759 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.876 5.896 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.444 4.453 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.327 5.837 -0.422 1.00 0.00 H new ATOM 392 N ARG A 73 -2.233 7.487 -4.296 1.00 0.00 N ATOM 393 CA ARG A 73 -2.900 8.103 -5.429 1.00 0.00 C ATOM 394 C ARG A 73 -2.333 7.555 -6.741 1.00 0.00 C ATOM 395 O ARG A 73 -3.056 7.420 -7.726 1.00 0.00 O ATOM 396 CB ARG A 73 -2.734 9.623 -5.406 1.00 0.00 C ATOM 397 CG ARG A 73 -4.093 10.322 -5.341 1.00 0.00 C ATOM 398 CD ARG A 73 -3.968 11.801 -5.711 1.00 0.00 C ATOM 399 NE ARG A 73 -4.540 12.035 -7.056 1.00 0.00 N ATOM 400 CZ ARG A 73 -4.561 13.228 -7.666 1.00 0.00 C ATOM 401 NH1 ARG A 73 -4.011 14.295 -7.071 1.00 0.00 N ATOM 402 NH2 ARG A 73 -5.134 13.355 -8.871 1.00 0.00 N ATOM 0 H ARG A 73 -1.915 8.141 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.961 7.864 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.130 9.913 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.197 9.947 -6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.791 9.832 -6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.506 10.229 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.487 12.414 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.920 12.101 -5.695 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.943 11.239 -7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.576 14.199 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.027 15.203 -7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.554 12.543 -9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.150 14.263 -9.335 1.00 0.00 H new ATOM 416 N GLY A 74 -1.042 7.252 -6.710 1.00 0.00 N ATOM 417 CA GLY A 74 -0.356 6.784 -7.902 1.00 0.00 C ATOM 418 C GLY A 74 -0.775 5.355 -8.251 1.00 0.00 C ATOM 419 O GLY A 74 -0.798 4.980 -9.422 1.00 0.00 O ATOM 0 H GLY A 74 -0.455 7.322 -5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.579 7.447 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.722 6.822 -7.744 1.00 0.00 H new ATOM 423 N ALA A 75 -1.096 4.597 -7.213 1.00 0.00 N ATOM 424 CA ALA A 75 -1.451 3.199 -7.389 1.00 0.00 C ATOM 425 C ALA A 75 -2.953 3.088 -7.658 1.00 0.00 C ATOM 426 O ALA A 75 -3.414 2.104 -8.235 1.00 0.00 O ATOM 427 CB ALA A 75 -1.020 2.402 -6.157 1.00 0.00 C ATOM 0 H ALA A 75 -1.118 4.924 -6.247 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.930 2.777 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.287 1.354 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.059 2.488 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.524 2.795 -5.274 1.00 0.00 H new ATOM 433 N THR A 76 -3.676 4.112 -7.226 1.00 0.00 N ATOM 434 CA THR A 76 -5.121 4.122 -7.374 1.00 0.00 C ATOM 435 C THR A 76 -5.565 5.328 -8.204 1.00 0.00 C ATOM 436 O THR A 76 -5.926 5.182 -9.372 1.00 0.00 O ATOM 437 CB THR A 76 -5.739 4.089 -5.974 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.244 5.269 -5.348 1.00 0.00 O ATOM 439 CG2 THR A 76 -5.184 2.951 -5.116 1.00 0.00 C ATOM 0 H THR A 76 -3.288 4.940 -6.774 1.00 0.00 H new ATOM 0 HA THR A 76 -5.468 3.245 -7.921 1.00 0.00 H new ATOM 0 HB THR A 76 -6.821 3.986 -6.057 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.286 5.168 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.655 2.973 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.394 1.996 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.106 3.072 -5.004 1.00 0.00 H new ATOM 447 N GLY A 77 -5.522 6.491 -7.572 1.00 0.00 N ATOM 448 CA GLY A 77 -5.960 7.713 -8.223 1.00 0.00 C ATOM 449 C GLY A 77 -7.163 8.320 -7.497 1.00 0.00 C ATOM 450 O GLY A 77 -7.920 9.091 -8.083 1.00 0.00 O ATOM 0 H GLY A 77 -5.190 6.613 -6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.141 8.432 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.224 7.503 -9.259 1.00 0.00 H new ATOM 454 N LEU A 78 -7.301 7.947 -6.234 1.00 0.00 N ATOM 455 CA LEU A 78 -8.388 8.458 -5.416 1.00 0.00 C ATOM 456 C LEU A 78 -8.151 9.942 -5.132 1.00 0.00 C ATOM 457 O LEU A 78 -7.012 10.406 -5.134 1.00 0.00 O ATOM 458 CB LEU A 78 -8.556 7.609 -4.155 1.00 0.00 C ATOM 459 CG LEU A 78 -9.121 6.203 -4.363 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.877 5.326 -3.134 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.603 6.259 -4.742 1.00 0.00 C ATOM 0 H LEU A 78 -6.678 7.296 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.335 8.382 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.585 7.520 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.210 8.143 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.592 5.742 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.289 4.332 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.806 5.248 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.363 5.772 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.981 5.246 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.164 6.747 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.721 6.824 -5.667 1.00 0.00 H new ATOM 473 N GLY A 79 -9.248 10.649 -4.892 1.00 0.00 N ATOM 474 CA GLY A 79 -9.174 12.069 -4.593 1.00 0.00 C ATOM 475 C GLY A 79 -8.205 12.336 -3.439 1.00 0.00 C ATOM 476 O GLY A 79 -8.116 11.543 -2.503 1.00 0.00 O ATOM 0 H GLY A 79 -10.192 10.264 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.849 12.615 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.165 12.442 -4.334 1.00 0.00 H new ATOM 480 N LEU A 80 -7.504 13.455 -3.545 1.00 0.00 N ATOM 481 CA LEU A 80 -6.543 13.835 -2.523 1.00 0.00 C ATOM 482 C LEU A 80 -7.124 13.524 -1.142 1.00 0.00 C ATOM 483 O LEU A 80 -6.451 12.929 -0.302 1.00 0.00 O ATOM 484 CB LEU A 80 -6.124 15.296 -2.699 1.00 0.00 C ATOM 485 CG LEU A 80 -4.715 15.652 -2.221 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.514 15.254 -0.758 1.00 0.00 C ATOM 487 CD2 LEU A 80 -3.654 15.033 -3.134 1.00 0.00 C ATOM 0 H LEU A 80 -7.582 14.111 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.628 13.251 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.203 15.551 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.837 15.925 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.599 16.734 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.504 15.518 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.237 15.781 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.657 14.179 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.661 15.301 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.760 13.948 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.784 15.408 -4.149 1.00 0.00 H new ATOM 499 N LYS A 81 -8.367 13.941 -0.950 1.00 0.00 N ATOM 500 CA LYS A 81 -9.042 13.724 0.318 1.00 0.00 C ATOM 501 C LYS A 81 -9.110 12.223 0.605 1.00 0.00 C ATOM 502 O LYS A 81 -8.490 11.739 1.552 1.00 0.00 O ATOM 503 CB LYS A 81 -10.408 14.414 0.323 1.00 0.00 C ATOM 504 CG LYS A 81 -11.108 14.231 1.670 1.00 0.00 C ATOM 505 CD LYS A 81 -12.540 14.774 1.623 1.00 0.00 C ATOM 506 CE LYS A 81 -13.438 13.873 0.773 1.00 0.00 C ATOM 507 NZ LYS A 81 -14.755 13.690 1.426 1.00 0.00 N ATOM 0 H LYS A 81 -8.924 14.428 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.478 14.179 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.284 15.477 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.030 14.004 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.125 13.174 1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.546 14.746 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.940 14.843 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.537 15.783 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.573 14.312 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.959 12.904 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.353 13.076 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.622 13.251 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.217 14.615 1.542 1.00 0.00 H new ATOM 521 N GLU A 82 -9.867 11.527 -0.230 1.00 0.00 N ATOM 522 CA GLU A 82 -10.055 10.097 -0.054 1.00 0.00 C ATOM 523 C GLU A 82 -8.738 9.434 0.351 1.00 0.00 C ATOM 524 O GLU A 82 -8.701 8.644 1.294 1.00 0.00 O ATOM 525 CB GLU A 82 -10.624 9.459 -1.323 1.00 0.00 C ATOM 526 CG GLU A 82 -12.101 9.819 -1.505 1.00 0.00 C ATOM 527 CD GLU A 82 -12.633 9.297 -2.840 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.130 9.778 -3.878 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.531 8.428 -2.794 1.00 0.00 O ATOM 0 H GLU A 82 -10.357 11.927 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.778 9.941 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.055 9.795 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.514 8.376 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.685 9.397 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.223 10.901 -1.459 1.00 0.00 H new ATOM 536 N ALA A 83 -7.690 9.776 -0.383 1.00 0.00 N ATOM 537 CA ALA A 83 -6.383 9.188 -0.143 1.00 0.00 C ATOM 538 C ALA A 83 -5.920 9.545 1.271 1.00 0.00 C ATOM 539 O ALA A 83 -5.458 8.680 2.013 1.00 0.00 O ATOM 540 CB ALA A 83 -5.403 9.666 -1.216 1.00 0.00 C ATOM 0 H ALA A 83 -7.719 10.453 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.433 8.101 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.423 9.225 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.763 9.362 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.324 10.753 -1.179 1.00 0.00 H new ATOM 546 N LYS A 84 -6.060 10.821 1.600 1.00 0.00 N ATOM 547 CA LYS A 84 -5.654 11.305 2.908 1.00 0.00 C ATOM 548 C LYS A 84 -6.380 10.505 3.991 1.00 0.00 C ATOM 549 O LYS A 84 -5.745 9.925 4.871 1.00 0.00 O ATOM 550 CB LYS A 84 -5.869 12.816 3.012 1.00 0.00 C ATOM 551 CG LYS A 84 -5.158 13.389 4.239 1.00 0.00 C ATOM 552 CD LYS A 84 -5.728 14.758 4.614 1.00 0.00 C ATOM 553 CE LYS A 84 -6.809 14.627 5.688 1.00 0.00 C ATOM 554 NZ LYS A 84 -7.013 15.920 6.379 1.00 0.00 N ATOM 0 H LYS A 84 -6.449 11.534 0.983 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.586 11.148 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.496 13.303 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.936 13.032 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.266 12.703 5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.091 13.479 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.927 15.402 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.146 15.237 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.744 14.300 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.521 13.863 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.750 15.813 7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.124 16.217 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.309 16.640 5.689 1.00 0.00 H new ATOM 568 N ASP A 85 -7.700 10.499 3.892 1.00 0.00 N ATOM 569 CA ASP A 85 -8.522 9.819 4.878 1.00 0.00 C ATOM 570 C ASP A 85 -8.085 8.355 4.977 1.00 0.00 C ATOM 571 O ASP A 85 -7.897 7.833 6.075 1.00 0.00 O ATOM 572 CB ASP A 85 -9.999 9.844 4.477 1.00 0.00 C ATOM 573 CG ASP A 85 -10.638 11.235 4.451 1.00 0.00 C ATOM 574 OD1 ASP A 85 -9.906 12.188 4.108 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.842 11.312 4.774 1.00 0.00 O ATOM 0 H ASP A 85 -8.222 10.955 3.143 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.398 10.332 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.099 9.396 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.559 9.216 5.170 1.00 0.00 H new ATOM 580 N LEU A 86 -7.936 7.736 3.817 1.00 0.00 N ATOM 581 CA LEU A 86 -7.536 6.340 3.759 1.00 0.00 C ATOM 582 C LEU A 86 -6.317 6.125 4.657 1.00 0.00 C ATOM 583 O LEU A 86 -6.364 5.330 5.594 1.00 0.00 O ATOM 584 CB LEU A 86 -7.316 5.905 2.308 1.00 0.00 C ATOM 585 CG LEU A 86 -6.871 4.456 2.104 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.533 3.849 0.865 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.345 4.354 2.046 1.00 0.00 C ATOM 0 H LEU A 86 -8.085 8.175 2.908 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.331 5.700 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.244 6.060 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.568 6.560 1.862 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.200 3.873 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.200 2.818 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.616 3.868 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.255 4.427 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.055 3.313 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.971 4.954 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.920 4.722 2.980 1.00 0.00 H new ATOM 599 N VAL A 87 -5.254 6.848 4.339 1.00 0.00 N ATOM 600 CA VAL A 87 -4.004 6.700 5.066 1.00 0.00 C ATOM 601 C VAL A 87 -4.241 6.994 6.547 1.00 0.00 C ATOM 602 O VAL A 87 -3.687 6.321 7.414 1.00 0.00 O ATOM 603 CB VAL A 87 -2.927 7.592 4.443 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.660 7.600 5.298 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.619 7.161 3.009 1.00 0.00 C ATOM 0 H VAL A 87 -5.232 7.538 3.588 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.640 5.675 4.994 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.314 8.610 4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.911 8.241 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.895 7.979 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.269 6.586 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.851 7.811 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.263 6.131 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.524 7.233 2.405 1.00 0.00 H new ATOM 615 N GLU A 88 -5.067 8.000 6.793 1.00 0.00 N ATOM 616 CA GLU A 88 -5.335 8.434 8.154 1.00 0.00 C ATOM 617 C GLU A 88 -6.196 7.399 8.880 1.00 0.00 C ATOM 618 O GLU A 88 -6.307 7.426 10.105 1.00 0.00 O ATOM 619 CB GLU A 88 -6.002 9.811 8.169 1.00 0.00 C ATOM 620 CG GLU A 88 -5.047 10.888 7.650 1.00 0.00 C ATOM 621 CD GLU A 88 -4.540 11.767 8.796 1.00 0.00 C ATOM 622 OE1 GLU A 88 -5.381 12.143 9.640 1.00 0.00 O ATOM 623 OE2 GLU A 88 -3.320 12.045 8.799 1.00 0.00 O ATOM 0 H GLU A 88 -5.560 8.528 6.073 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.385 8.522 8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.901 9.790 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.316 10.056 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.203 10.418 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.557 11.506 6.911 1.00 0.00 H new ATOM 630 N SER A 89 -6.786 6.510 8.094 1.00 0.00 N ATOM 631 CA SER A 89 -7.668 5.494 8.642 1.00 0.00 C ATOM 632 C SER A 89 -6.959 4.139 8.664 1.00 0.00 C ATOM 633 O SER A 89 -7.606 3.096 8.726 1.00 0.00 O ATOM 634 CB SER A 89 -8.968 5.401 7.838 1.00 0.00 C ATOM 635 OG SER A 89 -9.747 6.588 7.944 1.00 0.00 O ATOM 0 H SER A 89 -6.670 6.473 7.081 1.00 0.00 H new ATOM 0 HA SER A 89 -7.923 5.778 9.663 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.734 5.214 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.552 4.551 8.191 1.00 0.00 H new ATOM 0 HG SER A 89 -9.348 7.292 7.391 1.00 0.00 H new ATOM 641 N ALA A 90 -5.636 4.200 8.608 1.00 0.00 N ATOM 642 CA ALA A 90 -4.829 2.991 8.641 1.00 0.00 C ATOM 643 C ALA A 90 -5.274 2.118 9.815 1.00 0.00 C ATOM 644 O ALA A 90 -5.751 2.629 10.828 1.00 0.00 O ATOM 645 CB ALA A 90 -3.349 3.367 8.721 1.00 0.00 C ATOM 0 H ALA A 90 -5.103 5.067 8.540 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.968 2.411 7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.744 2.461 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.077 3.961 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.170 3.948 9.626 1.00 0.00 H new ATOM 651 N PRO A 91 -5.096 0.781 9.638 1.00 0.00 N ATOM 652 CA PRO A 91 -4.528 0.259 8.408 1.00 0.00 C ATOM 653 C PRO A 91 -5.547 0.309 7.268 1.00 0.00 C ATOM 654 O PRO A 91 -6.751 0.358 7.509 1.00 0.00 O ATOM 655 CB PRO A 91 -4.087 -1.155 8.747 1.00 0.00 C ATOM 656 CG PRO A 91 -4.842 -1.535 10.012 1.00 0.00 C ATOM 657 CD PRO A 91 -5.432 -0.264 10.600 1.00 0.00 C ATOM 0 HA PRO A 91 -3.685 0.851 8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.318 -1.842 7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.010 -1.201 8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.630 -2.253 9.785 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.173 -2.012 10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.511 -0.351 10.729 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.010 -0.049 11.582 1.00 0.00 H new ATOM 665 N ALA A 92 -5.026 0.298 6.049 1.00 0.00 N ATOM 666 CA ALA A 92 -5.874 0.361 4.871 1.00 0.00 C ATOM 667 C ALA A 92 -5.342 -0.607 3.813 1.00 0.00 C ATOM 668 O ALA A 92 -4.174 -0.991 3.850 1.00 0.00 O ATOM 669 CB ALA A 92 -5.937 1.802 4.364 1.00 0.00 C ATOM 0 H ALA A 92 -4.026 0.246 5.852 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.892 0.057 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.573 1.849 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.349 2.444 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.934 2.142 4.107 1.00 0.00 H new ATOM 675 N ALA A 93 -6.225 -0.974 2.895 1.00 0.00 N ATOM 676 CA ALA A 93 -5.850 -1.868 1.813 1.00 0.00 C ATOM 677 C ALA A 93 -5.438 -1.042 0.593 1.00 0.00 C ATOM 678 O ALA A 93 -6.257 -0.327 0.018 1.00 0.00 O ATOM 679 CB ALA A 93 -7.012 -2.816 1.509 1.00 0.00 C ATOM 0 H ALA A 93 -7.198 -0.669 2.879 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.995 -2.480 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.731 -3.487 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.247 -3.401 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.887 -2.236 1.214 1.00 0.00 H new ATOM 685 N LEU A 94 -4.169 -1.166 0.234 1.00 0.00 N ATOM 686 CA LEU A 94 -3.645 -0.457 -0.921 1.00 0.00 C ATOM 687 C LEU A 94 -3.931 -1.270 -2.184 1.00 0.00 C ATOM 688 O LEU A 94 -4.360 -0.718 -3.197 1.00 0.00 O ATOM 689 CB LEU A 94 -2.163 -0.130 -0.722 1.00 0.00 C ATOM 690 CG LEU A 94 -1.836 0.836 0.418 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.333 1.118 0.484 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.656 2.122 0.297 1.00 0.00 C ATOM 0 H LEU A 94 -3.488 -1.747 0.723 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.146 0.504 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.626 -1.062 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.776 0.291 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.116 0.362 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.128 1.807 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.205 0.185 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.005 1.563 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.405 2.792 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.430 2.610 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.718 1.881 0.336 1.00 0.00 H new ATOM 704 N LYS A 95 -3.683 -2.567 -2.086 1.00 0.00 N ATOM 705 CA LYS A 95 -3.887 -3.458 -3.214 1.00 0.00 C ATOM 706 C LYS A 95 -4.555 -4.746 -2.728 1.00 0.00 C ATOM 707 O LYS A 95 -4.423 -5.116 -1.564 1.00 0.00 O ATOM 708 CB LYS A 95 -2.571 -3.691 -3.959 1.00 0.00 C ATOM 709 CG LYS A 95 -1.699 -2.434 -3.937 1.00 0.00 C ATOM 710 CD LYS A 95 -2.149 -1.437 -5.007 1.00 0.00 C ATOM 711 CE LYS A 95 -1.469 -1.728 -6.347 1.00 0.00 C ATOM 712 NZ LYS A 95 -0.039 -1.349 -6.297 1.00 0.00 N ATOM 0 H LYS A 95 -3.342 -3.023 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.561 -3.004 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.032 -4.520 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.778 -3.976 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.753 -1.967 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.657 -2.707 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.231 -1.489 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.911 -0.422 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.562 -2.787 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.970 -1.176 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.322 -1.227 -7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.065 -0.456 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.502 -2.097 -5.817 1.00 0.00 H new ATOM 726 N GLU A 96 -5.259 -5.391 -3.647 1.00 0.00 N ATOM 727 CA GLU A 96 -5.957 -6.625 -3.324 1.00 0.00 C ATOM 728 C GLU A 96 -5.666 -7.691 -4.383 1.00 0.00 C ATOM 729 O GLU A 96 -5.894 -7.470 -5.571 1.00 0.00 O ATOM 730 CB GLU A 96 -7.462 -6.384 -3.189 1.00 0.00 C ATOM 731 CG GLU A 96 -7.757 -5.375 -2.079 1.00 0.00 C ATOM 732 CD GLU A 96 -9.247 -5.365 -1.728 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.039 -5.009 -2.628 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.560 -5.714 -0.569 1.00 0.00 O ATOM 0 H GLU A 96 -5.361 -5.083 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.592 -6.986 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.862 -6.017 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.967 -7.326 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.173 -5.623 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.448 -4.379 -2.396 1.00 0.00 H new ATOM 741 N GLY A 97 -5.164 -8.823 -3.912 1.00 0.00 N ATOM 742 CA GLY A 97 -4.856 -9.932 -4.799 1.00 0.00 C ATOM 743 C GLY A 97 -4.142 -9.440 -6.062 1.00 0.00 C ATOM 744 O GLY A 97 -4.718 -9.450 -7.148 1.00 0.00 O ATOM 0 H GLY A 97 -4.963 -8.996 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.227 -10.655 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.775 -10.449 -5.074 1.00 0.00 H new ATOM 748 N VAL A 98 -2.898 -9.022 -5.875 1.00 0.00 N ATOM 749 CA VAL A 98 -2.091 -8.560 -6.989 1.00 0.00 C ATOM 750 C VAL A 98 -0.867 -9.467 -7.137 1.00 0.00 C ATOM 751 O VAL A 98 -0.514 -10.195 -6.210 1.00 0.00 O ATOM 752 CB VAL A 98 -1.721 -7.089 -6.795 1.00 0.00 C ATOM 753 CG1 VAL A 98 -2.944 -6.188 -6.985 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.082 -6.861 -5.423 1.00 0.00 C ATOM 0 H VAL A 98 -2.431 -8.994 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.657 -8.619 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.986 -6.824 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.655 -5.147 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.340 -6.319 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.710 -6.455 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.828 -5.807 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.785 -7.151 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.177 -7.463 -5.338 1.00 0.00 H new ATOM 764 N SER A 99 -0.254 -9.397 -8.310 1.00 0.00 N ATOM 765 CA SER A 99 0.924 -10.198 -8.589 1.00 0.00 C ATOM 766 C SER A 99 2.021 -9.890 -7.567 1.00 0.00 C ATOM 767 O SER A 99 2.181 -8.744 -7.150 1.00 0.00 O ATOM 768 CB SER A 99 1.438 -9.950 -10.009 1.00 0.00 C ATOM 769 OG SER A 99 1.788 -8.585 -10.219 1.00 0.00 O ATOM 0 H SER A 99 -0.552 -8.797 -9.079 1.00 0.00 H new ATOM 0 HA SER A 99 0.647 -11.249 -8.511 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.308 -10.580 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.673 -10.243 -10.728 1.00 0.00 H new ATOM 0 HG SER A 99 0.976 -8.059 -10.372 1.00 0.00 H new ATOM 775 N LYS A 100 2.749 -10.933 -7.193 1.00 0.00 N ATOM 776 CA LYS A 100 3.817 -10.790 -6.219 1.00 0.00 C ATOM 777 C LYS A 100 4.720 -9.624 -6.627 1.00 0.00 C ATOM 778 O LYS A 100 5.050 -8.771 -5.804 1.00 0.00 O ATOM 779 CB LYS A 100 4.563 -12.114 -6.044 1.00 0.00 C ATOM 780 CG LYS A 100 5.318 -12.145 -4.713 1.00 0.00 C ATOM 781 CD LYS A 100 6.719 -11.550 -4.866 1.00 0.00 C ATOM 782 CE LYS A 100 7.723 -12.615 -5.312 1.00 0.00 C ATOM 783 NZ LYS A 100 9.050 -12.009 -5.557 1.00 0.00 N ATOM 0 H LYS A 100 2.619 -11.881 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 100 3.408 -10.549 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.856 -12.942 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.264 -12.253 -6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.761 -11.586 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.392 -13.172 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.696 -10.740 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.040 -11.118 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.806 -13.388 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.366 -13.102 -6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.718 -12.747 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.970 -11.288 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.396 -11.565 -4.682 1.00 0.00 H new ATOM 797 N ASP A 101 5.096 -9.625 -7.898 1.00 0.00 N ATOM 798 CA ASP A 101 6.025 -8.629 -8.403 1.00 0.00 C ATOM 799 C ASP A 101 5.487 -7.232 -8.093 1.00 0.00 C ATOM 800 O ASP A 101 6.243 -6.346 -7.696 1.00 0.00 O ATOM 801 CB ASP A 101 6.187 -8.748 -9.920 1.00 0.00 C ATOM 802 CG ASP A 101 7.069 -9.907 -10.389 1.00 0.00 C ATOM 803 OD1 ASP A 101 7.773 -10.470 -9.523 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.017 -10.206 -11.602 1.00 0.00 O ATOM 0 H ASP A 101 4.774 -10.299 -8.592 1.00 0.00 H new ATOM 0 HA ASP A 101 6.990 -8.793 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.199 -8.859 -10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.606 -7.816 -10.299 1.00 0.00 H new ATOM 809 N ASP A 102 4.186 -7.076 -8.286 1.00 0.00 N ATOM 810 CA ASP A 102 3.546 -5.790 -8.074 1.00 0.00 C ATOM 811 C ASP A 102 3.542 -5.467 -6.578 1.00 0.00 C ATOM 812 O ASP A 102 3.664 -4.306 -6.190 1.00 0.00 O ATOM 813 CB ASP A 102 2.094 -5.811 -8.557 1.00 0.00 C ATOM 814 CG ASP A 102 1.914 -5.706 -10.072 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.893 -5.294 -10.731 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.803 -6.037 -10.536 1.00 0.00 O ATOM 0 H ASP A 102 3.557 -7.820 -8.587 1.00 0.00 H new ATOM 0 HA ASP A 102 4.102 -5.040 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.626 -6.734 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.558 -4.988 -8.085 1.00 0.00 H new ATOM 821 N ALA A 103 3.401 -6.514 -5.780 1.00 0.00 N ATOM 822 CA ALA A 103 3.372 -6.355 -4.336 1.00 0.00 C ATOM 823 C ALA A 103 4.735 -5.854 -3.854 1.00 0.00 C ATOM 824 O ALA A 103 4.812 -4.898 -3.085 1.00 0.00 O ATOM 825 CB ALA A 103 2.974 -7.682 -3.684 1.00 0.00 C ATOM 0 H ALA A 103 3.306 -7.476 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 103 2.628 -5.613 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.952 -7.563 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.986 -7.979 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.700 -8.450 -3.950 1.00 0.00 H new ATOM 831 N GLU A 104 5.776 -6.524 -4.327 1.00 0.00 N ATOM 832 CA GLU A 104 7.128 -6.198 -3.907 1.00 0.00 C ATOM 833 C GLU A 104 7.545 -4.838 -4.471 1.00 0.00 C ATOM 834 O GLU A 104 8.371 -4.144 -3.880 1.00 0.00 O ATOM 835 CB GLU A 104 8.112 -7.292 -4.328 1.00 0.00 C ATOM 836 CG GLU A 104 8.998 -7.716 -3.155 1.00 0.00 C ATOM 837 CD GLU A 104 10.233 -6.817 -3.048 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.928 -6.685 -4.078 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.453 -6.286 -1.939 1.00 0.00 O ATOM 0 H GLU A 104 5.710 -7.291 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 104 7.146 -6.139 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.562 -8.155 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.735 -6.930 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.427 -7.668 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.308 -8.753 -3.285 1.00 0.00 H new ATOM 846 N ALA A 105 6.957 -4.499 -5.608 1.00 0.00 N ATOM 847 CA ALA A 105 7.264 -3.240 -6.264 1.00 0.00 C ATOM 848 C ALA A 105 6.721 -2.084 -5.420 1.00 0.00 C ATOM 849 O ALA A 105 7.449 -1.142 -5.109 1.00 0.00 O ATOM 850 CB ALA A 105 6.687 -3.247 -7.681 1.00 0.00 C ATOM 0 H ALA A 105 6.269 -5.075 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 105 8.342 -3.107 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.918 -2.302 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.126 -4.068 -8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.606 -3.376 -7.633 1.00 0.00 H new ATOM 856 N LEU A 106 5.447 -2.195 -5.072 1.00 0.00 N ATOM 857 CA LEU A 106 4.792 -1.161 -4.288 1.00 0.00 C ATOM 858 C LEU A 106 5.443 -1.089 -2.905 1.00 0.00 C ATOM 859 O LEU A 106 5.732 -0.002 -2.408 1.00 0.00 O ATOM 860 CB LEU A 106 3.281 -1.397 -4.248 1.00 0.00 C ATOM 861 CG LEU A 106 2.469 -0.397 -3.421 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.737 -0.574 -1.925 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.732 1.038 -3.886 1.00 0.00 C ATOM 0 H LEU A 106 4.851 -2.985 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 106 4.925 -0.185 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.904 -1.384 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.099 -2.397 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 106 1.410 -0.600 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.147 0.149 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.459 -1.584 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.796 -0.414 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.144 1.729 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.791 1.269 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.449 1.139 -4.934 1.00 0.00 H new ATOM 875 N LYS A 107 5.653 -2.261 -2.322 1.00 0.00 N ATOM 876 CA LYS A 107 6.259 -2.343 -1.005 1.00 0.00 C ATOM 877 C LYS A 107 7.593 -1.592 -1.014 1.00 0.00 C ATOM 878 O LYS A 107 7.861 -0.786 -0.127 1.00 0.00 O ATOM 879 CB LYS A 107 6.378 -3.801 -0.560 1.00 0.00 C ATOM 880 CG LYS A 107 7.216 -3.920 0.714 1.00 0.00 C ATOM 881 CD LYS A 107 7.195 -5.351 1.253 1.00 0.00 C ATOM 882 CE LYS A 107 8.270 -6.206 0.580 1.00 0.00 C ATOM 883 NZ LYS A 107 9.591 -5.960 1.200 1.00 0.00 N ATOM 0 H LYS A 107 5.414 -3.161 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 107 5.624 -1.858 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.384 -4.214 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.833 -4.391 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.243 -3.621 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.832 -3.237 1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.356 -5.340 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.214 -5.793 1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.011 -7.261 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.313 -5.976 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.329 -5.985 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.591 -5.027 1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.783 -6.695 1.910 1.00 0.00 H new ATOM 897 N LYS A 108 8.394 -1.885 -2.029 1.00 0.00 N ATOM 898 CA LYS A 108 9.701 -1.265 -2.154 1.00 0.00 C ATOM 899 C LYS A 108 9.545 0.256 -2.115 1.00 0.00 C ATOM 900 O LYS A 108 10.335 0.949 -1.476 1.00 0.00 O ATOM 901 CB LYS A 108 10.420 -1.777 -3.403 1.00 0.00 C ATOM 902 CG LYS A 108 11.269 -3.009 -3.081 1.00 0.00 C ATOM 903 CD LYS A 108 12.011 -3.503 -4.325 1.00 0.00 C ATOM 904 CE LYS A 108 13.220 -4.358 -3.938 1.00 0.00 C ATOM 905 NZ LYS A 108 14.107 -4.560 -5.105 1.00 0.00 N ATOM 0 H LYS A 108 8.162 -2.544 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 108 10.336 -1.543 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.688 -2.026 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.055 -0.990 -3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.987 -2.766 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.631 -3.804 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.334 -4.086 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.339 -2.651 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.773 -3.873 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.884 -5.323 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.922 -5.142 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.581 -5.042 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.442 -3.638 -5.450 1.00 0.00 H new ATOM 919 N ALA A 109 8.520 0.732 -2.806 1.00 0.00 N ATOM 920 CA ALA A 109 8.271 2.162 -2.889 1.00 0.00 C ATOM 921 C ALA A 109 8.006 2.710 -1.487 1.00 0.00 C ATOM 922 O ALA A 109 8.537 3.755 -1.114 1.00 0.00 O ATOM 923 CB ALA A 109 7.108 2.424 -3.847 1.00 0.00 C ATOM 0 H ALA A 109 7.852 0.153 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 109 9.143 2.681 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.922 3.496 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.359 2.042 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.214 1.921 -3.479 1.00 0.00 H new ATOM 929 N LEU A 110 7.183 1.981 -0.745 1.00 0.00 N ATOM 930 CA LEU A 110 6.845 2.379 0.610 1.00 0.00 C ATOM 931 C LEU A 110 8.117 2.425 1.457 1.00 0.00 C ATOM 932 O LEU A 110 8.321 3.358 2.231 1.00 0.00 O ATOM 933 CB LEU A 110 5.759 1.465 1.181 1.00 0.00 C ATOM 934 CG LEU A 110 4.315 1.860 0.862 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.740 2.766 1.952 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.214 2.496 -0.526 1.00 0.00 C ATOM 0 H LEU A 110 6.741 1.117 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 110 6.421 3.383 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.929 0.455 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.874 1.429 2.264 1.00 0.00 H new ATOM 0 HG LEU A 110 3.709 0.954 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.713 3.032 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.755 2.241 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.341 3.672 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.178 2.767 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.837 3.390 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.556 1.785 -1.278 1.00 0.00 H new ATOM 948 N GLU A 111 8.944 1.403 1.281 1.00 0.00 N ATOM 949 CA GLU A 111 10.161 1.281 2.065 1.00 0.00 C ATOM 950 C GLU A 111 11.143 2.396 1.698 1.00 0.00 C ATOM 951 O GLU A 111 11.847 2.917 2.563 1.00 0.00 O ATOM 952 CB GLU A 111 10.799 -0.096 1.876 1.00 0.00 C ATOM 953 CG GLU A 111 10.198 -1.117 2.844 1.00 0.00 C ATOM 954 CD GLU A 111 10.675 -2.532 2.513 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.891 -2.678 2.266 1.00 0.00 O ATOM 956 OE2 GLU A 111 9.813 -3.437 2.516 1.00 0.00 O ATOM 0 H GLU A 111 8.794 0.652 0.607 1.00 0.00 H new ATOM 0 HA GLU A 111 9.903 1.384 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.651 -0.432 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.875 -0.027 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.480 -0.864 3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.110 -1.075 2.793 1.00 0.00 H new ATOM 963 N GLU A 112 11.159 2.729 0.416 1.00 0.00 N ATOM 964 CA GLU A 112 12.032 3.781 -0.074 1.00 0.00 C ATOM 965 C GLU A 112 11.756 5.088 0.671 1.00 0.00 C ATOM 966 O GLU A 112 12.681 5.843 0.970 1.00 0.00 O ATOM 967 CB GLU A 112 11.873 3.968 -1.583 1.00 0.00 C ATOM 968 CG GLU A 112 12.543 2.827 -2.351 1.00 0.00 C ATOM 969 CD GLU A 112 13.886 3.273 -2.934 1.00 0.00 C ATOM 970 OE1 GLU A 112 13.869 4.251 -3.713 1.00 0.00 O ATOM 971 OE2 GLU A 112 14.899 2.626 -2.591 1.00 0.00 O ATOM 0 H GLU A 112 10.580 2.288 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 112 13.064 3.487 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.814 4.010 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.311 4.920 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.695 1.977 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.888 2.490 -3.154 1.00 0.00 H new ATOM 978 N ALA A 113 10.482 5.315 0.951 1.00 0.00 N ATOM 979 CA ALA A 113 10.071 6.525 1.646 1.00 0.00 C ATOM 980 C ALA A 113 10.275 6.338 3.151 1.00 0.00 C ATOM 981 O ALA A 113 10.547 7.300 3.868 1.00 0.00 O ATOM 982 CB ALA A 113 8.619 6.851 1.290 1.00 0.00 C ATOM 0 H ALA A 113 9.719 4.682 0.710 1.00 0.00 H new ATOM 0 HA ALA A 113 10.681 7.373 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.311 7.758 1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.534 7.004 0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.976 6.024 1.591 1.00 0.00 H new ATOM 988 N GLY A 114 10.135 5.094 3.584 1.00 0.00 N ATOM 989 CA GLY A 114 10.306 4.768 4.991 1.00 0.00 C ATOM 990 C GLY A 114 8.953 4.576 5.676 1.00 0.00 C ATOM 991 O GLY A 114 8.626 5.288 6.624 1.00 0.00 O ATOM 0 H GLY A 114 9.905 4.300 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.899 3.859 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.860 5.564 5.488 1.00 0.00 H new ATOM 995 N ALA A 115 8.201 3.608 5.170 1.00 0.00 N ATOM 996 CA ALA A 115 6.883 3.324 5.709 1.00 0.00 C ATOM 997 C ALA A 115 6.778 1.834 6.035 1.00 0.00 C ATOM 998 O ALA A 115 7.622 1.043 5.615 1.00 0.00 O ATOM 999 CB ALA A 115 5.815 3.778 4.712 1.00 0.00 C ATOM 0 H ALA A 115 8.481 3.011 4.392 1.00 0.00 H new ATOM 0 HA ALA A 115 6.722 3.876 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.826 3.565 5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.912 4.849 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.945 3.244 3.771 1.00 0.00 H new ATOM 1005 N GLU A 116 5.739 1.494 6.782 1.00 0.00 N ATOM 1006 CA GLU A 116 5.521 0.115 7.181 1.00 0.00 C ATOM 1007 C GLU A 116 4.399 -0.508 6.349 1.00 0.00 C ATOM 1008 O GLU A 116 3.267 -0.026 6.365 1.00 0.00 O ATOM 1009 CB GLU A 116 5.214 0.018 8.677 1.00 0.00 C ATOM 1010 CG GLU A 116 5.316 -1.429 9.167 1.00 0.00 C ATOM 1011 CD GLU A 116 5.403 -1.487 10.693 1.00 0.00 C ATOM 1012 OE1 GLU A 116 4.325 -1.449 11.324 1.00 0.00 O ATOM 1013 OE2 GLU A 116 6.546 -1.566 11.194 1.00 0.00 O ATOM 0 H GLU A 116 5.037 2.152 7.122 1.00 0.00 H new ATOM 0 HA GLU A 116 6.438 -0.445 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.909 0.644 9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.212 0.402 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.448 -1.994 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.195 -1.903 8.731 1.00 0.00 H new ATOM 1020 N VAL A 117 4.750 -1.573 5.642 1.00 0.00 N ATOM 1021 CA VAL A 117 3.800 -2.236 4.767 1.00 0.00 C ATOM 1022 C VAL A 117 3.402 -3.581 5.380 1.00 0.00 C ATOM 1023 O VAL A 117 4.066 -4.073 6.291 1.00 0.00 O ATOM 1024 CB VAL A 117 4.388 -2.371 3.361 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.331 -2.858 2.368 1.00 0.00 C ATOM 1026 CG2 VAL A 117 5.007 -1.051 2.898 1.00 0.00 C ATOM 0 H VAL A 117 5.680 -1.992 5.658 1.00 0.00 H new ATOM 0 HA VAL A 117 2.892 -1.641 4.669 1.00 0.00 H new ATOM 0 HB VAL A 117 5.180 -3.119 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.776 -2.945 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.956 -3.831 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.507 -2.145 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.418 -1.174 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.241 -0.275 2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.803 -0.762 3.584 1.00 0.00 H new ATOM 1036 N GLU A 118 2.320 -4.139 4.855 1.00 0.00 N ATOM 1037 CA GLU A 118 1.873 -5.452 5.282 1.00 0.00 C ATOM 1038 C GLU A 118 1.518 -6.313 4.067 1.00 0.00 C ATOM 1039 O GLU A 118 0.784 -5.874 3.184 1.00 0.00 O ATOM 1040 CB GLU A 118 0.686 -5.343 6.241 1.00 0.00 C ATOM 1041 CG GLU A 118 0.070 -6.717 6.510 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.521 -6.787 7.920 1.00 0.00 C ATOM 1043 OE1 GLU A 118 0.276 -6.671 8.876 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -1.756 -6.953 8.009 1.00 0.00 O ATOM 0 H GLU A 118 1.740 -3.704 4.137 1.00 0.00 H new ATOM 0 HA GLU A 118 2.689 -5.934 5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.013 -4.897 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.068 -4.679 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.709 -6.920 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.830 -7.490 6.392 1.00 0.00 H new ATOM 1051 N VAL A 119 2.056 -7.525 4.063 1.00 0.00 N ATOM 1052 CA VAL A 119 1.792 -8.457 2.981 1.00 0.00 C ATOM 1053 C VAL A 119 0.851 -9.556 3.479 1.00 0.00 C ATOM 1054 O VAL A 119 1.158 -10.247 4.449 1.00 0.00 O ATOM 1055 CB VAL A 119 3.108 -9.003 2.425 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.854 -10.043 1.334 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.997 -7.869 1.908 1.00 0.00 C ATOM 0 H VAL A 119 2.673 -7.882 4.792 1.00 0.00 H new ATOM 0 HA VAL A 119 1.293 -7.951 2.155 1.00 0.00 H new ATOM 0 HB VAL A 119 3.636 -9.498 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.807 -10.414 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.280 -10.872 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.294 -9.585 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.926 -8.284 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.478 -7.333 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.221 -7.181 2.724 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.275 -9.684 2.793 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.270 -10.673 3.166 1.00 0.00 C ATOM 1069 C LYS A 120 -1.618 -11.526 1.943 1.00 0.00 C ATOM 1070 O LYS A 120 -1.081 -11.308 0.857 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.483 -10.000 3.810 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.634 -10.424 5.272 1.00 0.00 C ATOM 1073 CD LYS A 120 -3.977 -9.961 5.841 1.00 0.00 C ATOM 1074 CE LYS A 120 -4.221 -10.562 7.226 1.00 0.00 C ATOM 1075 NZ LYS A 120 -4.923 -9.593 8.096 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.490 -12.453 2.153 1.00 0.00 O ATOM 0 H LYS A 120 -0.520 -9.118 1.980 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.870 -11.347 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.376 -8.917 3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.385 -10.262 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.556 -11.508 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.820 -10.003 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -3.994 -8.873 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -4.782 -10.253 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -4.813 -11.473 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -3.271 -10.844 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.080 -10.018 9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -4.344 -8.735 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -5.839 -9.344 7.670 1.00 0.00 H new