USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=9 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+ 167:sc= -0.0234 (180deg=-0.108) USER MOD Single : A 64 ASN : amide:sc= 0.00693 K(o=0.0069,f=-4.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -156:sc=-0.00809 (180deg=-0.232) USER MOD Single : A 76 THR OG1 : rot -74:sc= 0.961 USER MOD Single : A 81 LYS NZ :NH3+ 128:sc= -0.149 (180deg=-1.05) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0279) USER MOD Single : A 89 SER OG : rot -44:sc= 1.24 USER MOD Single : A 95 LYS NZ :NH3+ -154:sc= -0.0423 (180deg=-0.354) USER MOD Single : A 99 SER OG : rot -80:sc= 0.105 USER MOD Single : A 100 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.232) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -1.685 -14.621 -5.505 1.00 0.00 N ATOM 88 CA GLU A 53 -2.610 -13.585 -5.075 1.00 0.00 C ATOM 89 C GLU A 53 -2.203 -13.048 -3.701 1.00 0.00 C ATOM 90 O GLU A 53 -2.550 -13.630 -2.676 1.00 0.00 O ATOM 91 CB GLU A 53 -4.048 -14.109 -5.055 1.00 0.00 C ATOM 92 CG GLU A 53 -4.621 -14.193 -6.472 1.00 0.00 C ATOM 93 CD GLU A 53 -5.377 -15.506 -6.680 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.563 -15.546 -6.286 1.00 0.00 O ATOM 95 OE2 GLU A 53 -4.753 -16.440 -7.228 1.00 0.00 O ATOM 0 HA GLU A 53 -2.567 -12.765 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.073 -15.094 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.670 -13.453 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.291 -13.352 -6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.814 -14.115 -7.200 1.00 0.00 H new ATOM 102 N PHE A 54 -1.475 -11.942 -3.727 1.00 0.00 N ATOM 103 CA PHE A 54 -1.023 -11.314 -2.497 1.00 0.00 C ATOM 104 C PHE A 54 -1.707 -9.962 -2.288 1.00 0.00 C ATOM 105 O PHE A 54 -1.995 -9.252 -3.250 1.00 0.00 O ATOM 106 CB PHE A 54 0.486 -11.094 -2.635 1.00 0.00 C ATOM 107 CG PHE A 54 1.281 -12.375 -2.891 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.443 -12.832 -4.161 1.00 0.00 C ATOM 109 CD2 PHE A 54 1.827 -13.056 -1.848 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.180 -14.022 -4.399 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.566 -14.246 -2.086 1.00 0.00 C ATOM 112 CZ PHE A 54 2.727 -14.703 -3.357 1.00 0.00 C ATOM 0 H PHE A 54 -1.187 -11.464 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.265 -11.949 -1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.668 -10.396 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.859 -10.623 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.011 -12.290 -4.989 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.699 -12.692 -0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.306 -14.386 -5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.000 -14.787 -1.258 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.289 -15.607 -3.539 1.00 0.00 H new ATOM 122 N ASP A 55 -1.947 -9.646 -1.024 1.00 0.00 N ATOM 123 CA ASP A 55 -2.594 -8.392 -0.676 1.00 0.00 C ATOM 124 C ASP A 55 -1.573 -7.465 -0.012 1.00 0.00 C ATOM 125 O ASP A 55 -0.732 -7.917 0.763 1.00 0.00 O ATOM 126 CB ASP A 55 -3.739 -8.619 0.312 1.00 0.00 C ATOM 127 CG ASP A 55 -4.828 -9.580 -0.170 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.557 -10.293 -1.161 1.00 0.00 O ATOM 129 OD2 ASP A 55 -5.906 -9.581 0.463 1.00 0.00 O ATOM 0 H ASP A 55 -1.705 -10.236 -0.228 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.990 -7.951 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.324 -9.002 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.199 -7.657 0.539 1.00 0.00 H new ATOM 134 N VAL A 56 -1.684 -6.185 -0.338 1.00 0.00 N ATOM 135 CA VAL A 56 -0.781 -5.192 0.215 1.00 0.00 C ATOM 136 C VAL A 56 -1.572 -4.222 1.094 1.00 0.00 C ATOM 137 O VAL A 56 -2.406 -3.467 0.597 1.00 0.00 O ATOM 138 CB VAL A 56 -0.019 -4.490 -0.913 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.989 -3.486 -0.352 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.669 -5.508 -1.824 1.00 0.00 C ATOM 0 H VAL A 56 -2.386 -5.814 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.032 -5.668 0.848 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.742 -3.937 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.516 -3.002 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.464 -2.733 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.706 -4.007 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.203 -4.984 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.374 -6.100 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.080 -6.166 -2.265 1.00 0.00 H new ATOM 150 N ILE A 57 -1.283 -4.273 2.386 1.00 0.00 N ATOM 151 CA ILE A 57 -1.960 -3.412 3.340 1.00 0.00 C ATOM 152 C ILE A 57 -0.993 -2.325 3.816 1.00 0.00 C ATOM 153 O ILE A 57 0.207 -2.566 3.933 1.00 0.00 O ATOM 154 CB ILE A 57 -2.562 -4.241 4.477 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.161 -5.546 3.948 1.00 0.00 C ATOM 156 CG2 ILE A 57 -3.583 -3.422 5.271 1.00 0.00 C ATOM 157 CD1 ILE A 57 -4.347 -5.269 3.023 1.00 0.00 C ATOM 0 H ILE A 57 -0.588 -4.898 2.795 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.801 -2.906 2.866 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.760 -4.511 5.164 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.398 -6.108 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.484 -6.167 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.996 -4.034 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.094 -2.546 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.387 -3.102 4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.754 -6.213 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.118 -4.728 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.015 -4.668 2.176 1.00 0.00 H new ATOM 169 N LEU A 58 -1.553 -1.153 4.078 1.00 0.00 N ATOM 170 CA LEU A 58 -0.769 -0.050 4.605 1.00 0.00 C ATOM 171 C LEU A 58 -1.024 0.079 6.108 1.00 0.00 C ATOM 172 O LEU A 58 -2.138 0.385 6.528 1.00 0.00 O ATOM 173 CB LEU A 58 -1.053 1.232 3.821 1.00 0.00 C ATOM 174 CG LEU A 58 -0.721 2.544 4.537 1.00 0.00 C ATOM 175 CD1 LEU A 58 0.779 2.654 4.814 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.249 3.746 3.751 1.00 0.00 C ATOM 0 H LEU A 58 -2.541 -0.944 3.935 1.00 0.00 H new ATOM 0 HA LEU A 58 0.296 -0.245 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.489 1.197 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.110 1.244 3.554 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.227 2.543 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.987 3.595 5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.094 1.823 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.326 2.623 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.000 4.665 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.792 3.763 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.331 3.667 3.650 1.00 0.00 H new ATOM 188 N LYS A 59 0.028 -0.161 6.877 1.00 0.00 N ATOM 189 CA LYS A 59 -0.086 -0.151 8.325 1.00 0.00 C ATOM 190 C LYS A 59 0.232 1.251 8.848 1.00 0.00 C ATOM 191 O LYS A 59 -0.599 1.877 9.506 1.00 0.00 O ATOM 192 CB LYS A 59 0.784 -1.249 8.939 1.00 0.00 C ATOM 193 CG LYS A 59 0.013 -2.568 9.040 1.00 0.00 C ATOM 194 CD LYS A 59 0.187 -3.199 10.422 1.00 0.00 C ATOM 195 CE LYS A 59 1.260 -4.287 10.399 1.00 0.00 C ATOM 196 NZ LYS A 59 2.602 -3.687 10.219 1.00 0.00 N ATOM 0 H LYS A 59 0.963 -0.364 6.524 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.108 -0.380 8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.678 -1.392 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.118 -0.942 9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.045 -2.391 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.365 -3.259 8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.460 -2.430 11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.760 -3.625 10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.231 -4.855 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.057 -4.989 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.331 -4.400 10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.706 -3.357 9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.713 -2.882 10.869 1.00 0.00 H new ATOM 210 N ALA A 60 1.439 1.703 8.537 1.00 0.00 N ATOM 211 CA ALA A 60 1.898 2.997 9.014 1.00 0.00 C ATOM 212 C ALA A 60 2.552 3.759 7.859 1.00 0.00 C ATOM 213 O ALA A 60 3.427 3.228 7.176 1.00 0.00 O ATOM 214 CB ALA A 60 2.852 2.796 10.194 1.00 0.00 C ATOM 0 H ALA A 60 2.112 1.197 7.961 1.00 0.00 H new ATOM 0 HA ALA A 60 1.059 3.595 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.197 3.766 10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.331 2.276 10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.708 2.203 9.873 1.00 0.00 H new ATOM 220 N ALA A 61 2.101 4.991 7.676 1.00 0.00 N ATOM 221 CA ALA A 61 2.669 5.850 6.650 1.00 0.00 C ATOM 222 C ALA A 61 4.114 6.190 7.018 1.00 0.00 C ATOM 223 O ALA A 61 4.939 6.444 6.141 1.00 0.00 O ATOM 224 CB ALA A 61 1.800 7.098 6.490 1.00 0.00 C ATOM 0 H ALA A 61 1.350 5.415 8.220 1.00 0.00 H new ATOM 0 HA ALA A 61 2.685 5.338 5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.226 7.742 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.791 6.804 6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.762 7.639 7.436 1.00 0.00 H new ATOM 230 N GLY A 62 4.377 6.185 8.317 1.00 0.00 N ATOM 231 CA GLY A 62 5.702 6.518 8.814 1.00 0.00 C ATOM 232 C GLY A 62 5.923 8.032 8.812 1.00 0.00 C ATOM 233 O GLY A 62 4.964 8.804 8.847 1.00 0.00 O ATOM 0 H GLY A 62 3.695 5.956 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.823 6.130 9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.458 6.035 8.195 1.00 0.00 H new ATOM 237 N ALA A 63 7.192 8.414 8.771 1.00 0.00 N ATOM 238 CA ALA A 63 7.551 9.820 8.818 1.00 0.00 C ATOM 239 C ALA A 63 7.647 10.365 7.392 1.00 0.00 C ATOM 240 O ALA A 63 8.513 11.186 7.094 1.00 0.00 O ATOM 241 CB ALA A 63 8.860 9.986 9.594 1.00 0.00 C ATOM 0 H ALA A 63 7.983 7.774 8.706 1.00 0.00 H new ATOM 0 HA ALA A 63 6.786 10.395 9.340 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.130 11.041 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.732 9.610 10.609 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.651 9.425 9.097 1.00 0.00 H new ATOM 247 N ASN A 64 6.743 9.885 6.548 1.00 0.00 N ATOM 248 CA ASN A 64 6.722 10.306 5.158 1.00 0.00 C ATOM 249 C ASN A 64 5.306 10.139 4.601 1.00 0.00 C ATOM 250 O ASN A 64 5.098 9.408 3.634 1.00 0.00 O ATOM 251 CB ASN A 64 7.667 9.453 4.310 1.00 0.00 C ATOM 252 CG ASN A 64 8.184 10.242 3.103 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.523 11.122 2.575 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.397 9.878 2.698 1.00 0.00 N ATOM 0 H ASN A 64 6.021 9.210 6.801 1.00 0.00 H new ATOM 0 HA ASN A 64 7.041 11.347 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.508 9.120 4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.147 8.558 3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.829 10.343 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.895 9.133 3.185 1.00 0.00 H new ATOM 261 N LYS A 65 4.371 10.828 5.236 1.00 0.00 N ATOM 262 CA LYS A 65 2.977 10.747 4.830 1.00 0.00 C ATOM 263 C LYS A 65 2.829 11.312 3.416 1.00 0.00 C ATOM 264 O LYS A 65 1.932 10.912 2.674 1.00 0.00 O ATOM 265 CB LYS A 65 2.078 11.430 5.863 1.00 0.00 C ATOM 266 CG LYS A 65 0.774 10.653 6.055 1.00 0.00 C ATOM 267 CD LYS A 65 -0.270 11.504 6.779 1.00 0.00 C ATOM 268 CE LYS A 65 0.095 11.680 8.256 1.00 0.00 C ATOM 269 NZ LYS A 65 0.660 13.028 8.492 1.00 0.00 N ATOM 0 H LYS A 65 4.550 11.445 6.028 1.00 0.00 H new ATOM 0 HA LYS A 65 2.650 9.708 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.604 11.505 6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.855 12.447 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.386 10.342 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.968 9.745 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.344 12.480 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.249 11.033 6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.790 11.537 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.817 10.919 8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.902 13.132 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.516 13.151 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.041 13.749 8.229 1.00 0.00 H new ATOM 283 N VAL A 66 3.720 12.234 3.084 1.00 0.00 N ATOM 284 CA VAL A 66 3.673 12.891 1.789 1.00 0.00 C ATOM 285 C VAL A 66 3.922 11.858 0.689 1.00 0.00 C ATOM 286 O VAL A 66 3.048 11.606 -0.141 1.00 0.00 O ATOM 287 CB VAL A 66 4.667 14.053 1.754 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.756 14.657 0.351 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.303 15.120 2.789 1.00 0.00 C ATOM 0 H VAL A 66 4.480 12.542 3.690 1.00 0.00 H new ATOM 0 HA VAL A 66 2.686 13.321 1.615 1.00 0.00 H new ATOM 0 HB VAL A 66 5.650 13.659 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.470 15.481 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.086 13.894 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.776 15.027 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.026 15.934 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.306 15.507 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.317 14.680 3.786 1.00 0.00 H new ATOM 299 N ALA A 67 5.115 11.285 0.718 1.00 0.00 N ATOM 300 CA ALA A 67 5.510 10.322 -0.296 1.00 0.00 C ATOM 301 C ALA A 67 4.477 9.194 -0.349 1.00 0.00 C ATOM 302 O ALA A 67 4.170 8.678 -1.423 1.00 0.00 O ATOM 303 CB ALA A 67 6.918 9.809 0.006 1.00 0.00 C ATOM 0 H ALA A 67 5.823 11.469 1.429 1.00 0.00 H new ATOM 0 HA ALA A 67 5.539 10.790 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.213 9.087 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.618 10.645 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.928 9.329 0.985 1.00 0.00 H new ATOM 309 N VAL A 68 3.967 8.845 0.823 1.00 0.00 N ATOM 310 CA VAL A 68 2.982 7.782 0.925 1.00 0.00 C ATOM 311 C VAL A 68 1.747 8.156 0.105 1.00 0.00 C ATOM 312 O VAL A 68 1.359 7.431 -0.809 1.00 0.00 O ATOM 313 CB VAL A 68 2.664 7.503 2.395 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.334 6.759 2.536 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.799 6.727 3.064 1.00 0.00 C ATOM 0 H VAL A 68 4.218 9.280 1.711 1.00 0.00 H new ATOM 0 HA VAL A 68 3.377 6.854 0.511 1.00 0.00 H new ATOM 0 HB VAL A 68 2.568 8.462 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.131 6.573 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.532 7.364 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.390 5.809 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.547 6.542 4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.941 5.776 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.719 7.309 3.010 1.00 0.00 H new ATOM 325 N ILE A 69 1.161 9.290 0.462 1.00 0.00 N ATOM 326 CA ILE A 69 -0.045 9.753 -0.203 1.00 0.00 C ATOM 327 C ILE A 69 0.174 9.734 -1.718 1.00 0.00 C ATOM 328 O ILE A 69 -0.746 9.436 -2.477 1.00 0.00 O ATOM 329 CB ILE A 69 -0.468 11.119 0.340 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.031 10.996 1.757 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.449 11.807 -0.611 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.895 12.315 2.519 1.00 0.00 C ATOM 0 H ILE A 69 1.500 9.902 1.204 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.877 9.082 0.008 1.00 0.00 H new ATOM 0 HB ILE A 69 0.417 11.752 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.081 10.705 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.505 10.206 2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.734 12.776 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.975 11.949 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.338 11.187 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.303 12.199 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.158 12.590 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.442 13.097 1.993 1.00 0.00 H new ATOM 344 N LYS A 70 1.398 10.055 -2.110 1.00 0.00 N ATOM 345 CA LYS A 70 1.751 10.073 -3.520 1.00 0.00 C ATOM 346 C LYS A 70 1.684 8.650 -4.076 1.00 0.00 C ATOM 347 O LYS A 70 1.038 8.408 -5.094 1.00 0.00 O ATOM 348 CB LYS A 70 3.108 10.750 -3.723 1.00 0.00 C ATOM 349 CG LYS A 70 3.001 12.263 -3.536 1.00 0.00 C ATOM 350 CD LYS A 70 4.381 12.922 -3.579 1.00 0.00 C ATOM 351 CE LYS A 70 4.746 13.335 -5.006 1.00 0.00 C ATOM 352 NZ LYS A 70 5.549 12.279 -5.661 1.00 0.00 N ATOM 0 H LYS A 70 2.158 10.305 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 70 1.035 10.670 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.830 10.343 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.482 10.529 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.368 12.685 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.520 12.482 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.391 13.797 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.130 12.231 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.839 13.520 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.308 14.269 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.118 12.699 -6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.179 11.838 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.915 11.557 -6.059 1.00 0.00 H new ATOM 366 N ALA A 71 2.360 7.745 -3.384 1.00 0.00 N ATOM 367 CA ALA A 71 2.388 6.353 -3.800 1.00 0.00 C ATOM 368 C ALA A 71 0.956 5.826 -3.899 1.00 0.00 C ATOM 369 O ALA A 71 0.620 5.102 -4.836 1.00 0.00 O ATOM 370 CB ALA A 71 3.239 5.545 -2.817 1.00 0.00 C ATOM 0 H ALA A 71 2.892 7.948 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 71 2.844 6.256 -4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.261 4.500 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.254 5.941 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.808 5.617 -1.818 1.00 0.00 H new ATOM 376 N VAL A 72 0.147 6.208 -2.921 1.00 0.00 N ATOM 377 CA VAL A 72 -1.228 5.747 -2.863 1.00 0.00 C ATOM 378 C VAL A 72 -1.959 6.172 -4.138 1.00 0.00 C ATOM 379 O VAL A 72 -2.221 5.347 -5.012 1.00 0.00 O ATOM 380 CB VAL A 72 -1.900 6.261 -1.589 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.392 5.924 -1.580 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.206 5.711 -0.341 1.00 0.00 C ATOM 0 H VAL A 72 0.419 6.833 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.263 4.659 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.802 7.347 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.845 6.301 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.875 6.388 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.521 4.843 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.704 6.092 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.256 4.622 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.163 6.026 -0.336 1.00 0.00 H new ATOM 392 N ARG A 73 -2.269 7.458 -4.204 1.00 0.00 N ATOM 393 CA ARG A 73 -3.002 7.996 -5.338 1.00 0.00 C ATOM 394 C ARG A 73 -2.339 7.567 -6.649 1.00 0.00 C ATOM 395 O ARG A 73 -3.017 7.380 -7.658 1.00 0.00 O ATOM 396 CB ARG A 73 -3.063 9.523 -5.280 1.00 0.00 C ATOM 397 CG ARG A 73 -1.688 10.138 -5.553 1.00 0.00 C ATOM 398 CD ARG A 73 -1.697 11.644 -5.283 1.00 0.00 C ATOM 399 NE ARG A 73 -0.543 12.284 -5.952 1.00 0.00 N ATOM 400 CZ ARG A 73 -0.484 12.540 -7.266 1.00 0.00 C ATOM 401 NH1 ARG A 73 -1.510 12.204 -8.061 1.00 0.00 N ATOM 402 NH2 ARG A 73 0.600 13.132 -7.787 1.00 0.00 N ATOM 0 H ARG A 73 -2.026 8.144 -3.490 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.017 7.602 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.781 9.890 -6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.419 9.839 -4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.939 9.657 -4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.402 9.952 -6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.627 12.081 -5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.655 11.830 -4.210 1.00 0.00 H new ATOM 0 HE ARG A 73 0.258 12.547 -5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.335 11.754 -7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.465 12.399 -9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.381 13.388 -7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.644 13.326 -8.787 1.00 0.00 H new ATOM 416 N GLY A 74 -1.023 7.424 -6.590 1.00 0.00 N ATOM 417 CA GLY A 74 -0.255 7.079 -7.774 1.00 0.00 C ATOM 418 C GLY A 74 -0.488 5.619 -8.172 1.00 0.00 C ATOM 419 O GLY A 74 -0.404 5.272 -9.349 1.00 0.00 O ATOM 0 H GLY A 74 -0.470 7.541 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.537 7.734 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.806 7.243 -7.585 1.00 0.00 H new ATOM 423 N ALA A 75 -0.778 4.805 -7.168 1.00 0.00 N ATOM 424 CA ALA A 75 -0.974 3.382 -7.392 1.00 0.00 C ATOM 425 C ALA A 75 -2.448 3.119 -7.709 1.00 0.00 C ATOM 426 O ALA A 75 -2.782 2.111 -8.331 1.00 0.00 O ATOM 427 CB ALA A 75 -0.493 2.601 -6.167 1.00 0.00 C ATOM 0 H ALA A 75 -0.882 5.103 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.387 3.043 -8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.640 1.534 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.566 2.800 -6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.062 2.912 -5.291 1.00 0.00 H new ATOM 433 N THR A 76 -3.290 4.043 -7.268 1.00 0.00 N ATOM 434 CA THR A 76 -4.723 3.898 -7.451 1.00 0.00 C ATOM 435 C THR A 76 -5.265 5.015 -8.344 1.00 0.00 C ATOM 436 O THR A 76 -5.613 4.778 -9.499 1.00 0.00 O ATOM 437 CB THR A 76 -5.374 3.856 -6.067 1.00 0.00 C ATOM 438 OG1 THR A 76 -4.991 5.090 -5.466 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.755 2.791 -5.160 1.00 0.00 C ATOM 0 H THR A 76 -3.006 4.895 -6.784 1.00 0.00 H new ATOM 0 HA THR A 76 -4.963 2.969 -7.968 1.00 0.00 H new ATOM 0 HB THR A 76 -6.442 3.664 -6.174 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.046 5.049 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.254 2.804 -4.191 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.876 1.809 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.694 3.000 -5.025 1.00 0.00 H new ATOM 447 N GLY A 77 -5.317 6.210 -7.774 1.00 0.00 N ATOM 448 CA GLY A 77 -5.840 7.360 -8.492 1.00 0.00 C ATOM 449 C GLY A 77 -7.043 7.961 -7.762 1.00 0.00 C ATOM 450 O GLY A 77 -7.802 8.735 -8.342 1.00 0.00 O ATOM 0 H GLY A 77 -5.005 6.407 -6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.060 8.114 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.133 7.062 -9.499 1.00 0.00 H new ATOM 454 N LEU A 78 -7.177 7.583 -6.499 1.00 0.00 N ATOM 455 CA LEU A 78 -8.258 8.097 -5.674 1.00 0.00 C ATOM 456 C LEU A 78 -7.998 9.574 -5.366 1.00 0.00 C ATOM 457 O LEU A 78 -6.851 10.017 -5.351 1.00 0.00 O ATOM 458 CB LEU A 78 -8.440 7.231 -4.427 1.00 0.00 C ATOM 459 CG LEU A 78 -9.009 5.830 -4.661 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.643 4.890 -3.512 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.520 5.886 -4.899 1.00 0.00 C ATOM 0 H LEU A 78 -6.555 6.927 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.206 8.044 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.473 7.131 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.098 7.758 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.555 5.423 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.060 3.901 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.558 4.817 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.050 5.280 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.900 4.878 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.010 6.321 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.728 6.499 -5.776 1.00 0.00 H new ATOM 473 N GLY A 79 -9.084 10.295 -5.125 1.00 0.00 N ATOM 474 CA GLY A 79 -8.988 11.709 -4.809 1.00 0.00 C ATOM 475 C GLY A 79 -8.027 11.946 -3.642 1.00 0.00 C ATOM 476 O GLY A 79 -7.999 11.169 -2.689 1.00 0.00 O ATOM 0 H GLY A 79 -10.035 9.925 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.644 12.259 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.975 12.097 -4.557 1.00 0.00 H new ATOM 480 N LEU A 80 -7.263 13.022 -3.756 1.00 0.00 N ATOM 481 CA LEU A 80 -6.295 13.364 -2.728 1.00 0.00 C ATOM 482 C LEU A 80 -6.954 13.242 -1.352 1.00 0.00 C ATOM 483 O LEU A 80 -6.367 12.680 -0.428 1.00 0.00 O ATOM 484 CB LEU A 80 -5.690 14.744 -3.000 1.00 0.00 C ATOM 485 CG LEU A 80 -4.241 14.940 -2.553 1.00 0.00 C ATOM 486 CD1 LEU A 80 -3.580 16.086 -3.321 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.155 15.140 -1.039 1.00 0.00 C ATOM 0 H LEU A 80 -7.295 13.668 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.459 12.665 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.749 14.940 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.307 15.493 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.686 14.032 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.550 16.204 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.589 15.862 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.129 17.010 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.113 15.277 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.730 16.022 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.561 14.264 -0.533 1.00 0.00 H new ATOM 499 N LYS A 81 -8.162 13.776 -1.261 1.00 0.00 N ATOM 500 CA LYS A 81 -8.888 13.771 -0.002 1.00 0.00 C ATOM 501 C LYS A 81 -9.118 12.325 0.443 1.00 0.00 C ATOM 502 O LYS A 81 -8.970 12.004 1.621 1.00 0.00 O ATOM 503 CB LYS A 81 -10.177 14.588 -0.124 1.00 0.00 C ATOM 504 CG LYS A 81 -10.906 14.664 1.219 1.00 0.00 C ATOM 505 CD LYS A 81 -12.032 13.631 1.291 1.00 0.00 C ATOM 506 CE LYS A 81 -13.297 14.151 0.607 1.00 0.00 C ATOM 507 NZ LYS A 81 -13.389 13.633 -0.777 1.00 0.00 N ATOM 0 H LYS A 81 -8.657 14.215 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.301 14.256 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.943 15.594 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.829 14.136 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.199 14.494 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.316 15.664 1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.711 12.704 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.248 13.395 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.176 13.846 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.288 15.241 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.321 13.195 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.266 14.416 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.645 12.923 -0.932 1.00 0.00 H new ATOM 521 N GLU A 82 -9.474 11.491 -0.524 1.00 0.00 N ATOM 522 CA GLU A 82 -9.754 10.094 -0.241 1.00 0.00 C ATOM 523 C GLU A 82 -8.486 9.387 0.243 1.00 0.00 C ATOM 524 O GLU A 82 -8.533 8.594 1.182 1.00 0.00 O ATOM 525 CB GLU A 82 -10.339 9.392 -1.468 1.00 0.00 C ATOM 526 CG GLU A 82 -11.694 9.991 -1.849 1.00 0.00 C ATOM 527 CD GLU A 82 -12.823 8.985 -1.617 1.00 0.00 C ATOM 528 OE1 GLU A 82 -13.104 8.712 -0.430 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.378 8.511 -2.632 1.00 0.00 O ATOM 0 H GLU A 82 -9.575 11.756 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.499 10.046 0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.649 9.483 -2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.453 8.328 -1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.877 10.890 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.681 10.293 -2.896 1.00 0.00 H new ATOM 536 N ALA A 83 -7.383 9.698 -0.422 1.00 0.00 N ATOM 537 CA ALA A 83 -6.105 9.102 -0.071 1.00 0.00 C ATOM 538 C ALA A 83 -5.720 9.529 1.348 1.00 0.00 C ATOM 539 O ALA A 83 -5.242 8.716 2.136 1.00 0.00 O ATOM 540 CB ALA A 83 -5.052 9.506 -1.106 1.00 0.00 C ATOM 0 H ALA A 83 -7.348 10.355 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.173 8.014 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.093 9.059 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.358 9.155 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.954 10.592 -1.121 1.00 0.00 H new ATOM 546 N LYS A 84 -5.945 10.805 1.629 1.00 0.00 N ATOM 547 CA LYS A 84 -5.621 11.351 2.936 1.00 0.00 C ATOM 548 C LYS A 84 -6.384 10.575 4.012 1.00 0.00 C ATOM 549 O LYS A 84 -5.784 10.054 4.949 1.00 0.00 O ATOM 550 CB LYS A 84 -5.878 12.860 2.965 1.00 0.00 C ATOM 551 CG LYS A 84 -5.453 13.463 4.304 1.00 0.00 C ATOM 552 CD LYS A 84 -3.962 13.807 4.302 1.00 0.00 C ATOM 553 CE LYS A 84 -3.728 15.224 3.773 1.00 0.00 C ATOM 554 NZ LYS A 84 -2.281 15.530 3.731 1.00 0.00 N ATOM 0 H LYS A 84 -6.347 11.476 0.974 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.559 11.228 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.330 13.341 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.937 13.055 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.037 14.361 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.666 12.759 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.564 13.722 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.420 13.090 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.155 15.321 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.240 15.945 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.146 16.545 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.847 15.279 4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.832 14.981 2.971 1.00 0.00 H new ATOM 568 N ASP A 85 -7.697 10.524 3.839 1.00 0.00 N ATOM 569 CA ASP A 85 -8.550 9.837 4.794 1.00 0.00 C ATOM 570 C ASP A 85 -8.088 8.386 4.933 1.00 0.00 C ATOM 571 O ASP A 85 -7.906 7.894 6.046 1.00 0.00 O ATOM 572 CB ASP A 85 -10.007 9.826 4.322 1.00 0.00 C ATOM 573 CG ASP A 85 -10.698 11.190 4.328 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.118 12.119 4.931 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.792 11.275 3.730 1.00 0.00 O ATOM 0 H ASP A 85 -8.190 10.947 3.053 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.482 10.363 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.042 9.422 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.574 9.145 4.957 1.00 0.00 H new ATOM 580 N LEU A 86 -7.911 7.741 3.789 1.00 0.00 N ATOM 581 CA LEU A 86 -7.488 6.351 3.771 1.00 0.00 C ATOM 582 C LEU A 86 -6.292 6.173 4.708 1.00 0.00 C ATOM 583 O LEU A 86 -6.351 5.387 5.651 1.00 0.00 O ATOM 584 CB LEU A 86 -7.218 5.893 2.336 1.00 0.00 C ATOM 585 CG LEU A 86 -6.715 4.457 2.174 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.879 3.491 1.944 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.666 4.365 1.065 1.00 0.00 C ATOM 0 H LEU A 86 -8.053 8.156 2.868 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.284 5.706 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.138 6.002 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.484 6.566 1.893 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.228 4.159 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.494 2.477 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.557 3.529 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.416 3.777 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.325 3.334 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.105 4.690 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.819 5.006 1.311 1.00 0.00 H new ATOM 599 N VAL A 87 -5.236 6.918 4.416 1.00 0.00 N ATOM 600 CA VAL A 87 -4.001 6.796 5.172 1.00 0.00 C ATOM 601 C VAL A 87 -4.280 7.093 6.646 1.00 0.00 C ATOM 602 O VAL A 87 -3.743 6.426 7.530 1.00 0.00 O ATOM 603 CB VAL A 87 -2.927 7.703 4.571 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.693 7.765 5.474 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.551 7.250 3.160 1.00 0.00 C ATOM 0 H VAL A 87 -5.210 7.609 3.666 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.616 5.778 5.113 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.341 8.709 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.945 8.417 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.976 8.158 6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.278 6.764 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.785 7.913 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.166 6.231 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.433 7.283 2.520 1.00 0.00 H new ATOM 615 N GLU A 88 -5.119 8.094 6.867 1.00 0.00 N ATOM 616 CA GLU A 88 -5.419 8.536 8.218 1.00 0.00 C ATOM 617 C GLU A 88 -6.287 7.498 8.936 1.00 0.00 C ATOM 618 O GLU A 88 -6.423 7.536 10.156 1.00 0.00 O ATOM 619 CB GLU A 88 -6.100 9.906 8.208 1.00 0.00 C ATOM 620 CG GLU A 88 -5.090 11.018 7.919 1.00 0.00 C ATOM 621 CD GLU A 88 -5.370 12.252 8.779 1.00 0.00 C ATOM 622 OE1 GLU A 88 -6.566 12.585 8.920 1.00 0.00 O ATOM 623 OE2 GLU A 88 -4.381 12.833 9.277 1.00 0.00 O ATOM 0 H GLU A 88 -5.601 8.612 6.132 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.481 8.637 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.887 9.919 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.578 10.085 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.080 10.656 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.134 11.288 6.864 1.00 0.00 H new ATOM 630 N SER A 89 -6.849 6.597 8.145 1.00 0.00 N ATOM 631 CA SER A 89 -7.734 5.578 8.684 1.00 0.00 C ATOM 632 C SER A 89 -7.026 4.221 8.693 1.00 0.00 C ATOM 633 O SER A 89 -7.676 3.179 8.759 1.00 0.00 O ATOM 634 CB SER A 89 -9.033 5.494 7.878 1.00 0.00 C ATOM 635 OG SER A 89 -8.847 4.821 6.636 1.00 0.00 O ATOM 0 H SER A 89 -6.709 6.551 7.136 1.00 0.00 H new ATOM 0 HA SER A 89 -7.990 5.854 9.707 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.790 4.972 8.463 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.411 6.500 7.693 1.00 0.00 H new ATOM 0 HG SER A 89 -8.020 5.135 6.215 1.00 0.00 H new ATOM 641 N ALA A 90 -5.704 4.279 8.623 1.00 0.00 N ATOM 642 CA ALA A 90 -4.900 3.069 8.654 1.00 0.00 C ATOM 643 C ALA A 90 -5.349 2.193 9.824 1.00 0.00 C ATOM 644 O ALA A 90 -5.841 2.700 10.831 1.00 0.00 O ATOM 645 CB ALA A 90 -3.419 3.443 8.739 1.00 0.00 C ATOM 0 H ALA A 90 -5.170 5.144 8.545 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.039 2.492 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.815 2.536 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.144 4.040 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.241 4.021 9.646 1.00 0.00 H new ATOM 651 N PRO A 91 -5.158 0.858 9.650 1.00 0.00 N ATOM 652 CA PRO A 91 -4.583 0.338 8.420 1.00 0.00 C ATOM 653 C PRO A 91 -5.602 0.376 7.280 1.00 0.00 C ATOM 654 O PRO A 91 -6.807 0.420 7.522 1.00 0.00 O ATOM 655 CB PRO A 91 -4.129 -1.071 8.764 1.00 0.00 C ATOM 656 CG PRO A 91 -4.878 -1.455 10.028 1.00 0.00 C ATOM 657 CD PRO A 91 -5.481 -0.190 10.614 1.00 0.00 C ATOM 0 HA PRO A 91 -3.745 0.936 8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.354 -1.763 7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.051 -1.106 8.923 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.659 -2.182 9.803 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.203 -1.924 10.744 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.559 -0.289 10.744 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.060 0.031 11.595 1.00 0.00 H new ATOM 665 N ALA A 92 -5.082 0.359 6.062 1.00 0.00 N ATOM 666 CA ALA A 92 -5.929 0.431 4.883 1.00 0.00 C ATOM 667 C ALA A 92 -5.440 -0.584 3.848 1.00 0.00 C ATOM 668 O ALA A 92 -4.276 -0.980 3.862 1.00 0.00 O ATOM 669 CB ALA A 92 -5.932 1.862 4.344 1.00 0.00 C ATOM 0 H ALA A 92 -4.083 0.296 5.865 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.959 0.176 5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.567 1.916 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.315 2.538 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.916 2.153 4.079 1.00 0.00 H new ATOM 675 N ALA A 93 -6.355 -0.972 2.972 1.00 0.00 N ATOM 676 CA ALA A 93 -6.025 -1.907 1.910 1.00 0.00 C ATOM 677 C ALA A 93 -5.600 -1.128 0.664 1.00 0.00 C ATOM 678 O ALA A 93 -6.412 -0.434 0.054 1.00 0.00 O ATOM 679 CB ALA A 93 -7.221 -2.824 1.645 1.00 0.00 C ATOM 0 H ALA A 93 -7.325 -0.656 2.976 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.188 -2.541 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.972 -3.525 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.463 -3.377 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.080 -2.224 1.345 1.00 0.00 H new ATOM 685 N LEU A 94 -4.328 -1.269 0.321 1.00 0.00 N ATOM 686 CA LEU A 94 -3.787 -0.594 -0.848 1.00 0.00 C ATOM 687 C LEU A 94 -4.117 -1.408 -2.100 1.00 0.00 C ATOM 688 O LEU A 94 -4.571 -0.858 -3.101 1.00 0.00 O ATOM 689 CB LEU A 94 -2.293 -0.322 -0.665 1.00 0.00 C ATOM 690 CG LEU A 94 -1.924 1.065 -0.137 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.450 1.121 0.271 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.278 2.152 -1.154 1.00 0.00 C ATOM 0 H LEU A 94 -3.656 -1.841 0.832 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.252 0.384 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.889 -1.069 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.797 -0.467 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.515 1.258 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.213 2.118 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.261 0.387 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.176 0.898 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.005 3.128 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.732 1.975 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.349 2.128 -1.354 1.00 0.00 H new ATOM 704 N LYS A 95 -3.875 -2.708 -2.002 1.00 0.00 N ATOM 705 CA LYS A 95 -4.128 -3.601 -3.120 1.00 0.00 C ATOM 706 C LYS A 95 -4.603 -4.953 -2.587 1.00 0.00 C ATOM 707 O LYS A 95 -4.209 -5.371 -1.501 1.00 0.00 O ATOM 708 CB LYS A 95 -2.893 -3.695 -4.019 1.00 0.00 C ATOM 709 CG LYS A 95 -1.992 -2.470 -3.844 1.00 0.00 C ATOM 710 CD LYS A 95 -0.744 -2.579 -4.723 1.00 0.00 C ATOM 711 CE LYS A 95 -1.001 -1.992 -6.113 1.00 0.00 C ATOM 712 NZ LYS A 95 -1.191 -3.075 -7.104 1.00 0.00 N ATOM 0 H LYS A 95 -3.507 -3.163 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.925 -3.207 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.333 -4.599 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.203 -3.777 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.545 -1.567 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.698 -2.376 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.086 -2.054 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.449 -3.624 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.885 -1.355 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.162 -1.362 -6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.929 -2.730 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.590 -3.886 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.188 -3.371 -7.108 1.00 0.00 H new ATOM 726 N GLU A 96 -5.448 -5.600 -3.378 1.00 0.00 N ATOM 727 CA GLU A 96 -5.990 -6.893 -2.997 1.00 0.00 C ATOM 728 C GLU A 96 -5.711 -7.929 -4.088 1.00 0.00 C ATOM 729 O GLU A 96 -6.003 -7.694 -5.259 1.00 0.00 O ATOM 730 CB GLU A 96 -7.488 -6.796 -2.704 1.00 0.00 C ATOM 731 CG GLU A 96 -7.761 -5.804 -1.572 1.00 0.00 C ATOM 732 CD GLU A 96 -9.200 -5.929 -1.068 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.110 -5.590 -1.856 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.360 -6.362 0.095 1.00 0.00 O ATOM 0 H GLU A 96 -5.770 -5.252 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.495 -7.216 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.019 -6.483 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.874 -7.779 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.067 -5.984 -0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.582 -4.788 -1.923 1.00 0.00 H new ATOM 741 N GLY A 97 -5.150 -9.053 -3.665 1.00 0.00 N ATOM 742 CA GLY A 97 -4.842 -10.129 -4.589 1.00 0.00 C ATOM 743 C GLY A 97 -4.259 -9.583 -5.894 1.00 0.00 C ATOM 744 O GLY A 97 -4.956 -9.508 -6.905 1.00 0.00 O ATOM 0 H GLY A 97 -4.901 -9.241 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.132 -10.816 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.746 -10.700 -4.801 1.00 0.00 H new ATOM 748 N VAL A 98 -2.988 -9.216 -5.829 1.00 0.00 N ATOM 749 CA VAL A 98 -2.296 -8.703 -6.998 1.00 0.00 C ATOM 750 C VAL A 98 -1.033 -9.530 -7.243 1.00 0.00 C ATOM 751 O VAL A 98 -0.630 -10.320 -6.391 1.00 0.00 O ATOM 752 CB VAL A 98 -2.008 -7.209 -6.824 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.281 -6.380 -7.012 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.369 -6.930 -5.463 1.00 0.00 C ATOM 0 H VAL A 98 -2.419 -9.264 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.924 -8.798 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.298 -6.912 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.049 -5.323 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.678 -6.545 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.024 -6.681 -6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.174 -5.862 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.046 -7.250 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.431 -7.479 -5.382 1.00 0.00 H new ATOM 764 N SER A 99 -0.442 -9.318 -8.409 1.00 0.00 N ATOM 765 CA SER A 99 0.769 -10.035 -8.776 1.00 0.00 C ATOM 766 C SER A 99 1.878 -9.738 -7.766 1.00 0.00 C ATOM 767 O SER A 99 2.024 -8.605 -7.314 1.00 0.00 O ATOM 768 CB SER A 99 1.223 -9.662 -10.189 1.00 0.00 C ATOM 769 OG SER A 99 1.535 -8.276 -10.300 1.00 0.00 O ATOM 0 H SER A 99 -0.778 -8.660 -9.112 1.00 0.00 H new ATOM 0 HA SER A 99 0.552 -11.103 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.099 -10.253 -10.457 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.438 -9.915 -10.901 1.00 0.00 H new ATOM 0 HG SER A 99 0.707 -7.761 -10.399 1.00 0.00 H new ATOM 775 N LYS A 100 2.633 -10.778 -7.442 1.00 0.00 N ATOM 776 CA LYS A 100 3.715 -10.648 -6.481 1.00 0.00 C ATOM 777 C LYS A 100 4.622 -9.487 -6.894 1.00 0.00 C ATOM 778 O LYS A 100 5.013 -8.673 -6.060 1.00 0.00 O ATOM 779 CB LYS A 100 4.453 -11.977 -6.321 1.00 0.00 C ATOM 780 CG LYS A 100 5.317 -11.977 -5.057 1.00 0.00 C ATOM 781 CD LYS A 100 6.736 -11.493 -5.364 1.00 0.00 C ATOM 782 CE LYS A 100 7.708 -11.916 -4.260 1.00 0.00 C ATOM 783 NZ LYS A 100 9.107 -11.796 -4.730 1.00 0.00 N ATOM 0 H LYS A 100 2.516 -11.715 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 100 3.320 -10.409 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.732 -12.794 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.080 -12.156 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.864 -11.333 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.354 -12.982 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.065 -11.901 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.741 -10.407 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.559 -11.293 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.505 -12.945 -3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.750 -11.803 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.333 -12.596 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.222 -10.905 -5.254 1.00 0.00 H new ATOM 797 N ASP A 101 4.927 -9.446 -8.183 1.00 0.00 N ATOM 798 CA ASP A 101 5.838 -8.442 -8.706 1.00 0.00 C ATOM 799 C ASP A 101 5.321 -7.051 -8.336 1.00 0.00 C ATOM 800 O ASP A 101 6.099 -6.179 -7.951 1.00 0.00 O ATOM 801 CB ASP A 101 5.929 -8.522 -10.231 1.00 0.00 C ATOM 802 CG ASP A 101 6.711 -9.723 -10.769 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.439 -10.842 -10.282 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.561 -9.494 -11.657 1.00 0.00 O ATOM 0 H ASP A 101 4.559 -10.092 -8.881 1.00 0.00 H new ATOM 0 HA ASP A 101 6.823 -8.623 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.919 -8.552 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.395 -7.609 -10.601 1.00 0.00 H new ATOM 809 N ASP A 102 4.013 -6.886 -8.464 1.00 0.00 N ATOM 810 CA ASP A 102 3.391 -5.600 -8.198 1.00 0.00 C ATOM 811 C ASP A 102 3.457 -5.306 -6.699 1.00 0.00 C ATOM 812 O ASP A 102 3.639 -4.159 -6.296 1.00 0.00 O ATOM 813 CB ASP A 102 1.919 -5.604 -8.615 1.00 0.00 C ATOM 814 CG ASP A 102 1.669 -5.417 -10.113 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.580 -4.876 -10.777 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.575 -5.819 -10.562 1.00 0.00 O ATOM 0 H ASP A 102 3.366 -7.622 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 102 3.926 -4.842 -8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.471 -6.547 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.402 -4.811 -8.074 1.00 0.00 H new ATOM 821 N ALA A 103 3.304 -6.362 -5.915 1.00 0.00 N ATOM 822 CA ALA A 103 3.321 -6.228 -4.467 1.00 0.00 C ATOM 823 C ALA A 103 4.695 -5.720 -4.023 1.00 0.00 C ATOM 824 O ALA A 103 4.789 -4.775 -3.244 1.00 0.00 O ATOM 825 CB ALA A 103 2.961 -7.570 -3.826 1.00 0.00 C ATOM 0 H ALA A 103 3.168 -7.314 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 103 2.578 -5.500 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.974 -7.470 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.966 -7.873 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.687 -8.324 -4.129 1.00 0.00 H new ATOM 831 N GLU A 104 5.727 -6.373 -4.538 1.00 0.00 N ATOM 832 CA GLU A 104 7.089 -6.035 -4.165 1.00 0.00 C ATOM 833 C GLU A 104 7.468 -4.663 -4.725 1.00 0.00 C ATOM 834 O GLU A 104 8.364 -4.001 -4.204 1.00 0.00 O ATOM 835 CB GLU A 104 8.070 -7.110 -4.637 1.00 0.00 C ATOM 836 CG GLU A 104 8.078 -8.304 -3.679 1.00 0.00 C ATOM 837 CD GLU A 104 8.859 -7.978 -2.404 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.085 -7.770 -2.527 1.00 0.00 O ATOM 839 OE2 GLU A 104 8.212 -7.947 -1.335 1.00 0.00 O ATOM 0 H GLU A 104 5.646 -7.135 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 104 7.146 -5.990 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.795 -7.444 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.072 -6.688 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.054 -8.576 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.524 -9.168 -4.172 1.00 0.00 H new ATOM 846 N ALA A 105 6.766 -4.277 -5.781 1.00 0.00 N ATOM 847 CA ALA A 105 7.028 -3.002 -6.427 1.00 0.00 C ATOM 848 C ALA A 105 6.524 -1.867 -5.532 1.00 0.00 C ATOM 849 O ALA A 105 7.263 -0.930 -5.236 1.00 0.00 O ATOM 850 CB ALA A 105 6.376 -2.987 -7.810 1.00 0.00 C ATOM 0 H ALA A 105 6.017 -4.824 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 105 8.099 -2.858 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.573 -2.031 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.790 -3.793 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.300 -3.127 -7.707 1.00 0.00 H new ATOM 856 N LEU A 106 5.269 -1.991 -5.126 1.00 0.00 N ATOM 857 CA LEU A 106 4.649 -0.977 -4.289 1.00 0.00 C ATOM 858 C LEU A 106 5.349 -0.949 -2.929 1.00 0.00 C ATOM 859 O LEU A 106 5.655 0.123 -2.407 1.00 0.00 O ATOM 860 CB LEU A 106 3.140 -1.207 -4.199 1.00 0.00 C ATOM 861 CG LEU A 106 2.375 -0.279 -3.252 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.689 -0.609 -1.790 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.654 1.190 -3.580 1.00 0.00 C ATOM 0 H LEU A 106 4.664 -2.778 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 106 4.771 0.011 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.717 -1.103 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.968 -2.236 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 106 1.308 -0.445 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.133 0.064 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.400 -1.639 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.757 -0.488 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.099 1.828 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.721 1.389 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.342 1.400 -4.603 1.00 0.00 H new ATOM 875 N LYS A 107 5.583 -2.138 -2.395 1.00 0.00 N ATOM 876 CA LYS A 107 6.223 -2.261 -1.096 1.00 0.00 C ATOM 877 C LYS A 107 7.556 -1.512 -1.114 1.00 0.00 C ATOM 878 O LYS A 107 7.833 -0.709 -0.225 1.00 0.00 O ATOM 879 CB LYS A 107 6.351 -3.734 -0.699 1.00 0.00 C ATOM 880 CG LYS A 107 7.134 -3.884 0.607 1.00 0.00 C ATOM 881 CD LYS A 107 7.110 -5.334 1.097 1.00 0.00 C ATOM 882 CE LYS A 107 7.903 -5.487 2.396 1.00 0.00 C ATOM 883 NZ LYS A 107 7.482 -6.707 3.120 1.00 0.00 N ATOM 0 H LYS A 107 5.341 -3.025 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 107 5.608 -1.798 -0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.359 -4.171 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.853 -4.286 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.165 -3.564 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.706 -3.232 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.079 -5.651 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.529 -5.987 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.969 -5.538 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.751 -4.612 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.030 -6.795 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.469 -6.643 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.650 -7.541 2.522 1.00 0.00 H new ATOM 897 N LYS A 108 8.346 -1.800 -2.138 1.00 0.00 N ATOM 898 CA LYS A 108 9.648 -1.174 -2.276 1.00 0.00 C ATOM 899 C LYS A 108 9.491 0.345 -2.193 1.00 0.00 C ATOM 900 O LYS A 108 10.308 1.024 -1.575 1.00 0.00 O ATOM 901 CB LYS A 108 10.339 -1.650 -3.557 1.00 0.00 C ATOM 902 CG LYS A 108 11.042 -2.992 -3.335 1.00 0.00 C ATOM 903 CD LYS A 108 11.496 -3.599 -4.664 1.00 0.00 C ATOM 904 CE LYS A 108 11.898 -5.064 -4.488 1.00 0.00 C ATOM 905 NZ LYS A 108 13.185 -5.165 -3.767 1.00 0.00 N ATOM 0 H LYS A 108 8.109 -2.459 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 108 10.302 -1.473 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.604 -1.748 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.065 -0.904 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.903 -2.852 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.366 -3.681 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.692 -3.524 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.339 -3.032 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.123 -5.596 -3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.982 -5.544 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.443 -6.166 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.925 -4.674 -4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.093 -4.725 -2.829 1.00 0.00 H new ATOM 919 N ALA A 109 8.433 0.835 -2.823 1.00 0.00 N ATOM 920 CA ALA A 109 8.191 2.267 -2.879 1.00 0.00 C ATOM 921 C ALA A 109 7.900 2.785 -1.469 1.00 0.00 C ATOM 922 O ALA A 109 8.361 3.860 -1.093 1.00 0.00 O ATOM 923 CB ALA A 109 7.046 2.553 -3.854 1.00 0.00 C ATOM 0 H ALA A 109 7.733 0.266 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 109 9.072 2.792 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.864 3.627 -3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.314 2.191 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.143 2.045 -3.514 1.00 0.00 H new ATOM 929 N LEU A 110 7.136 1.995 -0.729 1.00 0.00 N ATOM 930 CA LEU A 110 6.791 2.352 0.636 1.00 0.00 C ATOM 931 C LEU A 110 8.067 2.426 1.477 1.00 0.00 C ATOM 932 O LEU A 110 8.270 3.383 2.222 1.00 0.00 O ATOM 933 CB LEU A 110 5.741 1.390 1.194 1.00 0.00 C ATOM 934 CG LEU A 110 4.282 1.741 0.895 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.677 2.576 2.026 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.153 2.435 -0.463 1.00 0.00 C ATOM 0 H LEU A 110 6.746 1.109 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 110 6.331 3.340 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.943 0.395 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.866 1.335 2.275 1.00 0.00 H new ATOM 0 HG LEU A 110 3.711 0.814 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.640 2.812 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.717 2.011 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.243 3.501 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.106 2.674 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.740 3.354 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.521 1.773 -1.247 1.00 0.00 H new ATOM 948 N GLU A 111 8.895 1.401 1.329 1.00 0.00 N ATOM 949 CA GLU A 111 10.104 1.296 2.129 1.00 0.00 C ATOM 950 C GLU A 111 11.096 2.395 1.738 1.00 0.00 C ATOM 951 O GLU A 111 11.805 2.926 2.589 1.00 0.00 O ATOM 952 CB GLU A 111 10.737 -0.090 1.983 1.00 0.00 C ATOM 953 CG GLU A 111 9.803 -1.177 2.520 1.00 0.00 C ATOM 954 CD GLU A 111 10.578 -2.200 3.355 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.052 -1.804 4.442 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.676 -3.356 2.889 1.00 0.00 O ATOM 0 H GLU A 111 8.752 0.637 0.668 1.00 0.00 H new ATOM 0 HA GLU A 111 9.837 1.430 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.961 -0.283 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.684 -0.120 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.021 -0.722 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.308 -1.680 1.689 1.00 0.00 H new ATOM 963 N GLU A 112 11.112 2.701 0.449 1.00 0.00 N ATOM 964 CA GLU A 112 11.990 3.740 -0.062 1.00 0.00 C ATOM 965 C GLU A 112 11.710 5.067 0.646 1.00 0.00 C ATOM 966 O GLU A 112 12.633 5.827 0.936 1.00 0.00 O ATOM 967 CB GLU A 112 11.843 3.886 -1.578 1.00 0.00 C ATOM 968 CG GLU A 112 12.781 2.926 -2.313 1.00 0.00 C ATOM 969 CD GLU A 112 12.621 3.060 -3.830 1.00 0.00 C ATOM 970 OE1 GLU A 112 11.500 2.789 -4.309 1.00 0.00 O ATOM 971 OE2 GLU A 112 13.627 3.429 -4.475 1.00 0.00 O ATOM 0 H GLU A 112 10.531 2.248 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 112 13.021 3.451 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.812 3.686 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.064 4.912 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.814 3.134 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.569 1.901 -2.010 1.00 0.00 H new ATOM 978 N ALA A 113 10.432 5.306 0.902 1.00 0.00 N ATOM 979 CA ALA A 113 10.017 6.538 1.552 1.00 0.00 C ATOM 980 C ALA A 113 10.177 6.390 3.067 1.00 0.00 C ATOM 981 O ALA A 113 10.435 7.368 3.766 1.00 0.00 O ATOM 982 CB ALA A 113 8.581 6.871 1.147 1.00 0.00 C ATOM 0 H ALA A 113 9.671 4.668 0.671 1.00 0.00 H new ATOM 0 HA ALA A 113 10.646 7.370 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.270 7.795 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.528 6.996 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.920 6.060 1.452 1.00 0.00 H new ATOM 988 N GLY A 114 10.016 5.159 3.529 1.00 0.00 N ATOM 989 CA GLY A 114 10.152 4.868 4.945 1.00 0.00 C ATOM 990 C GLY A 114 8.783 4.685 5.603 1.00 0.00 C ATOM 991 O GLY A 114 8.430 5.421 6.523 1.00 0.00 O ATOM 0 H GLY A 114 9.793 4.352 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.747 3.964 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.690 5.679 5.436 1.00 0.00 H new ATOM 995 N ALA A 115 8.050 3.701 5.104 1.00 0.00 N ATOM 996 CA ALA A 115 6.725 3.416 5.629 1.00 0.00 C ATOM 997 C ALA A 115 6.625 1.926 5.966 1.00 0.00 C ATOM 998 O ALA A 115 7.431 1.125 5.499 1.00 0.00 O ATOM 999 CB ALA A 115 5.669 3.856 4.612 1.00 0.00 C ATOM 0 H ALA A 115 8.348 3.091 4.342 1.00 0.00 H new ATOM 0 HA ALA A 115 6.547 3.975 6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.675 3.643 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.765 4.926 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.815 3.313 3.678 1.00 0.00 H new ATOM 1005 N GLU A 116 5.626 1.602 6.774 1.00 0.00 N ATOM 1006 CA GLU A 116 5.422 0.227 7.197 1.00 0.00 C ATOM 1007 C GLU A 116 4.331 -0.432 6.353 1.00 0.00 C ATOM 1008 O GLU A 116 3.193 0.033 6.329 1.00 0.00 O ATOM 1009 CB GLU A 116 5.081 0.156 8.687 1.00 0.00 C ATOM 1010 CG GLU A 116 5.003 -1.295 9.163 1.00 0.00 C ATOM 1011 CD GLU A 116 5.751 -1.479 10.485 1.00 0.00 C ATOM 1012 OE1 GLU A 116 5.303 -0.869 11.481 1.00 0.00 O ATOM 1013 OE2 GLU A 116 6.755 -2.223 10.471 1.00 0.00 O ATOM 0 H GLU A 116 4.949 2.268 7.147 1.00 0.00 H new ATOM 0 HA GLU A 116 6.352 -0.321 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.836 0.691 9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.129 0.654 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.960 -1.585 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.428 -1.953 8.406 1.00 0.00 H new ATOM 1020 N VAL A 117 4.717 -1.506 5.677 1.00 0.00 N ATOM 1021 CA VAL A 117 3.789 -2.224 4.821 1.00 0.00 C ATOM 1022 C VAL A 117 3.489 -3.592 5.439 1.00 0.00 C ATOM 1023 O VAL A 117 4.192 -4.038 6.344 1.00 0.00 O ATOM 1024 CB VAL A 117 4.352 -2.320 3.402 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.311 -2.887 2.436 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.861 -0.959 2.923 1.00 0.00 C ATOM 0 H VAL A 117 5.659 -1.895 5.706 1.00 0.00 H new ATOM 0 HA VAL A 117 2.844 -1.686 4.745 1.00 0.00 H new ATOM 0 HB VAL A 117 5.198 -3.007 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.737 -2.945 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.016 -3.884 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.436 -2.237 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.256 -1.054 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.040 -0.242 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.650 -0.610 3.590 1.00 0.00 H new ATOM 1036 N GLU A 118 2.442 -4.221 4.923 1.00 0.00 N ATOM 1037 CA GLU A 118 2.072 -5.551 5.373 1.00 0.00 C ATOM 1038 C GLU A 118 1.630 -6.410 4.187 1.00 0.00 C ATOM 1039 O GLU A 118 0.820 -5.977 3.369 1.00 0.00 O ATOM 1040 CB GLU A 118 0.977 -5.486 6.439 1.00 0.00 C ATOM 1041 CG GLU A 118 0.517 -6.888 6.843 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.829 -7.230 6.202 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -0.820 -7.532 4.989 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -1.837 -7.181 6.939 1.00 0.00 O ATOM 0 H GLU A 118 1.839 -3.833 4.198 1.00 0.00 H new ATOM 0 HA GLU A 118 2.948 -6.015 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.350 -4.956 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.129 -4.917 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.265 -7.621 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.433 -6.948 7.928 1.00 0.00 H new ATOM 1051 N VAL A 119 2.181 -7.615 4.131 1.00 0.00 N ATOM 1052 CA VAL A 119 1.842 -8.544 3.066 1.00 0.00 C ATOM 1053 C VAL A 119 1.099 -9.742 3.660 1.00 0.00 C ATOM 1054 O VAL A 119 1.632 -10.446 4.514 1.00 0.00 O ATOM 1055 CB VAL A 119 3.104 -8.943 2.298 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.755 -9.804 1.081 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.909 -7.709 1.885 1.00 0.00 C ATOM 0 H VAL A 119 2.859 -7.969 4.806 1.00 0.00 H new ATOM 0 HA VAL A 119 1.175 -8.072 2.344 1.00 0.00 H new ATOM 0 HB VAL A 119 3.727 -9.540 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.669 -10.074 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.245 -10.709 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.102 -9.242 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.800 -8.021 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.297 -7.073 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.203 -7.152 2.775 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.121 -9.937 3.181 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.941 -11.041 3.650 1.00 0.00 C ATOM 1069 C LYS A 120 -1.769 -11.586 2.484 1.00 0.00 C ATOM 1070 O LYS A 120 -1.869 -10.948 1.438 1.00 0.00 O ATOM 1071 CB LYS A 120 -1.782 -10.611 4.854 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.881 -9.634 4.433 1.00 0.00 C ATOM 1073 CD LYS A 120 -4.239 -10.335 4.360 1.00 0.00 C ATOM 1074 CE LYS A 120 -5.315 -9.391 3.817 1.00 0.00 C ATOM 1075 NZ LYS A 120 -5.791 -8.480 4.882 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.329 -12.728 2.700 1.00 0.00 O ATOM 0 H LYS A 120 -0.561 -9.349 2.473 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.313 -11.858 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.230 -11.488 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -1.141 -10.143 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.931 -8.809 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.637 -9.203 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -4.165 -11.214 3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -4.525 -10.686 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -4.913 -8.811 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.151 -9.970 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.520 -7.847 4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -6.194 -9.038 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.994 -7.914 5.237 1.00 0.00 H new