USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -0.774 K(o=-13,f=-16!) USER MOD Set 1.2: A 26 GLN : amide:sc= -8.87! C(o=-13!,f=-29!) USER MOD Set 1.3: A 55 GLN : amide:sc= -3.63! C(o=-13!,f=-20!) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -1.35 F(o=-5.3,f=-4.7) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.36 K(o=-4.7,f=-5.3!) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0111 (180deg=-0.225) USER MOD Single : A 6 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.063) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= -1.41 (180deg=-1.67) USER MOD Single : A 17 MET CE :methyl 175:sc= -10.5! (180deg=-11.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.256 K(o=0.26,f=-3.6!) USER MOD Single : A 33 SER OG : rot 69:sc= 0.81 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0896 X(o=-0.09,f=-0.21) USER MOD Single : A 41 SER OG : rot 100:sc= -1.41 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -134:sc= -3.21! (180deg=-4.24!) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0.742 (180deg=0.674) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 0.549 -12.295 9.696 1.00 0.00 N ATOM 46 CA LYS A 4 0.913 -12.326 8.275 1.00 0.00 C ATOM 47 C LYS A 4 0.480 -11.042 7.612 1.00 0.00 C ATOM 48 O LYS A 4 1.189 -10.490 6.771 1.00 0.00 O ATOM 49 CB LYS A 4 0.223 -13.480 7.557 1.00 0.00 C ATOM 50 CG LYS A 4 0.552 -14.811 8.250 1.00 0.00 C ATOM 51 CD LYS A 4 -0.041 -15.973 7.441 1.00 0.00 C ATOM 52 CE LYS A 4 0.190 -17.296 8.182 1.00 0.00 C ATOM 53 NZ LYS A 4 1.651 -17.594 8.228 1.00 0.00 N ATOM 0 HA LYS A 4 1.994 -12.452 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.855 -13.321 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.545 -13.515 6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.632 -14.930 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.147 -14.815 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.108 -15.814 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.420 -16.013 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.211 -17.233 9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.341 -18.104 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.795 -18.584 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.067 -17.439 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.112 -16.967 8.918 1.00 0.00 H new ATOM 67 N PHE A 5 -0.693 -10.575 8.012 1.00 0.00 N ATOM 68 CA PHE A 5 -1.237 -9.350 7.473 1.00 0.00 C ATOM 69 C PHE A 5 -0.312 -8.204 7.763 1.00 0.00 C ATOM 70 O PHE A 5 0.128 -7.511 6.861 1.00 0.00 O ATOM 71 CB PHE A 5 -2.553 -9.030 8.158 1.00 0.00 C ATOM 72 CG PHE A 5 -3.700 -9.715 7.472 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.605 -11.067 7.104 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.869 -8.989 7.212 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.692 -11.682 6.469 1.00 0.00 C ATOM 76 CE2 PHE A 5 -5.946 -9.603 6.580 1.00 0.00 C ATOM 77 CZ PHE A 5 -5.862 -10.945 6.208 1.00 0.00 C ATOM 0 H PHE A 5 -1.283 -11.030 8.709 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.370 -9.483 6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.509 -9.344 9.201 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.715 -7.952 8.156 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.704 -11.626 7.308 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.935 -7.951 7.502 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.632 -12.721 6.180 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.846 -9.041 6.378 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.699 -11.420 5.718 1.00 0.00 H new ATOM 87 N ASN A 6 -0.029 -8.025 9.046 1.00 0.00 N ATOM 88 CA ASN A 6 0.836 -6.956 9.482 1.00 0.00 C ATOM 89 C ASN A 6 2.193 -7.078 8.828 1.00 0.00 C ATOM 90 O ASN A 6 2.709 -6.105 8.311 1.00 0.00 O ATOM 91 CB ASN A 6 1.008 -7.018 10.992 1.00 0.00 C ATOM 92 CG ASN A 6 -0.344 -6.922 11.694 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.656 -7.745 12.554 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.170 -5.962 11.378 1.00 0.00 N ATOM 0 H ASN A 6 -0.390 -8.611 9.798 1.00 0.00 H new ATOM 0 HA ASN A 6 0.383 -6.006 9.198 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.502 -7.950 11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.654 -6.205 11.323 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.075 -5.894 11.844 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.911 -5.280 10.665 1.00 0.00 H new ATOM 101 N LYS A 7 2.749 -8.288 8.841 1.00 0.00 N ATOM 102 CA LYS A 7 4.049 -8.532 8.246 1.00 0.00 C ATOM 103 C LYS A 7 4.031 -8.179 6.772 1.00 0.00 C ATOM 104 O LYS A 7 4.944 -7.520 6.279 1.00 0.00 O ATOM 105 CB LYS A 7 4.436 -10.000 8.439 1.00 0.00 C ATOM 106 CG LYS A 7 5.868 -10.263 7.933 1.00 0.00 C ATOM 107 CD LYS A 7 6.901 -9.857 9.001 1.00 0.00 C ATOM 108 CE LYS A 7 7.214 -8.355 8.905 1.00 0.00 C ATOM 109 NZ LYS A 7 6.796 -7.676 10.164 1.00 0.00 N ATOM 0 H LYS A 7 2.315 -9.111 9.259 1.00 0.00 H new ATOM 0 HA LYS A 7 4.789 -7.902 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.365 -10.263 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.734 -10.639 7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.985 -11.319 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.045 -9.701 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.517 -10.092 9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.816 -10.434 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.280 -8.206 8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.692 -7.918 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.186 -6.712 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.758 -7.630 10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.152 -8.211 10.982 1.00 0.00 H new ATOM 123 N GLU A 8 2.977 -8.599 6.077 1.00 0.00 N ATOM 124 CA GLU A 8 2.856 -8.297 4.659 1.00 0.00 C ATOM 125 C GLU A 8 2.576 -6.807 4.476 1.00 0.00 C ATOM 126 O GLU A 8 3.047 -6.177 3.529 1.00 0.00 O ATOM 127 CB GLU A 8 1.724 -9.150 4.076 1.00 0.00 C ATOM 128 CG GLU A 8 1.638 -8.962 2.561 1.00 0.00 C ATOM 129 CD GLU A 8 2.999 -9.203 1.901 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.409 -10.351 1.832 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.611 -8.236 1.475 1.00 0.00 O ATOM 0 H GLU A 8 2.207 -9.141 6.468 1.00 0.00 H new ATOM 0 HA GLU A 8 3.783 -8.531 4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.896 -10.201 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.776 -8.872 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.902 -9.651 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.294 -7.953 2.335 1.00 0.00 H new ATOM 138 N ARG A 9 1.810 -6.271 5.415 1.00 0.00 N ATOM 139 CA ARG A 9 1.437 -4.876 5.433 1.00 0.00 C ATOM 140 C ARG A 9 2.607 -3.975 5.776 1.00 0.00 C ATOM 141 O ARG A 9 2.660 -2.877 5.289 1.00 0.00 O ATOM 142 CB ARG A 9 0.290 -4.645 6.424 1.00 0.00 C ATOM 143 CG ARG A 9 -1.022 -5.116 5.787 1.00 0.00 C ATOM 144 CD ARG A 9 -2.137 -5.199 6.834 1.00 0.00 C ATOM 145 NE ARG A 9 -2.355 -3.895 7.465 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.913 -2.885 6.806 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.229 -2.236 5.910 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.140 -2.537 7.062 1.00 0.00 N ATOM 0 H ARG A 9 1.428 -6.806 6.195 1.00 0.00 H new ATOM 0 HA ARG A 9 1.107 -4.617 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.476 -5.190 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.224 -3.589 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.313 -4.428 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.877 -6.093 5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.059 -5.539 6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.875 -5.936 7.593 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.071 -3.759 8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.264 -2.502 5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.657 -1.461 5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.676 -3.040 7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.566 -1.761 6.555 1.00 0.00 H new ATOM 162 N VAL A 10 3.529 -4.436 6.622 1.00 0.00 N ATOM 163 CA VAL A 10 4.680 -3.605 7.012 1.00 0.00 C ATOM 164 C VAL A 10 5.471 -3.289 5.776 1.00 0.00 C ATOM 165 O VAL A 10 5.861 -2.151 5.507 1.00 0.00 O ATOM 166 CB VAL A 10 5.656 -4.324 7.966 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.741 -3.327 8.421 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.941 -4.899 9.190 1.00 0.00 C ATOM 0 H VAL A 10 3.508 -5.363 7.047 1.00 0.00 H new ATOM 0 HA VAL A 10 4.275 -2.727 7.515 1.00 0.00 H new ATOM 0 HB VAL A 10 6.105 -5.158 7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.435 -3.828 9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.284 -2.958 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.272 -2.490 8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.666 -5.396 9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.458 -4.092 9.742 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.189 -5.619 8.867 1.00 0.00 H new ATOM 178 N ILE A 11 5.706 -4.351 5.049 1.00 0.00 N ATOM 179 CA ILE A 11 6.453 -4.297 3.835 1.00 0.00 C ATOM 180 C ILE A 11 5.746 -3.402 2.835 1.00 0.00 C ATOM 181 O ILE A 11 6.348 -2.526 2.229 1.00 0.00 O ATOM 182 CB ILE A 11 6.528 -5.722 3.287 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.216 -6.641 4.316 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.293 -5.743 1.966 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.987 -8.105 3.920 1.00 0.00 C ATOM 0 H ILE A 11 5.377 -5.285 5.293 1.00 0.00 H new ATOM 0 HA ILE A 11 7.450 -3.894 4.012 1.00 0.00 H new ATOM 0 HB ILE A 11 5.516 -6.085 3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.284 -6.426 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.815 -6.455 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.338 -6.764 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.783 -5.110 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.305 -5.370 2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.472 -8.758 4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.917 -8.314 3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.409 -8.285 2.931 1.00 0.00 H new ATOM 197 N ALA A 12 4.462 -3.668 2.680 1.00 0.00 N ATOM 198 CA ALA A 12 3.618 -2.951 1.742 1.00 0.00 C ATOM 199 C ALA A 12 3.291 -1.528 2.173 1.00 0.00 C ATOM 200 O ALA A 12 3.417 -0.600 1.379 1.00 0.00 O ATOM 201 CB ALA A 12 2.340 -3.732 1.622 1.00 0.00 C ATOM 0 H ALA A 12 3.972 -4.393 3.205 1.00 0.00 H new ATOM 0 HA ALA A 12 4.156 -2.863 0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.671 -3.229 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.560 -4.735 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.862 -3.799 2.599 1.00 0.00 H new ATOM 207 N ILE A 13 2.878 -1.355 3.425 1.00 0.00 N ATOM 208 CA ILE A 13 2.558 -0.038 3.930 1.00 0.00 C ATOM 209 C ILE A 13 3.805 0.808 3.843 1.00 0.00 C ATOM 210 O ILE A 13 3.758 1.978 3.512 1.00 0.00 O ATOM 211 CB ILE A 13 2.077 -0.110 5.393 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.454 1.245 5.776 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.260 -0.445 6.333 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.818 1.630 7.208 1.00 0.00 C ATOM 0 H ILE A 13 2.760 -2.110 4.100 1.00 0.00 H new ATOM 0 HA ILE A 13 1.753 0.396 3.337 1.00 0.00 H new ATOM 0 HB ILE A 13 1.331 -0.898 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.802 2.016 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.370 1.193 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.905 -0.492 7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.687 -1.408 6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.023 0.329 6.248 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.365 2.591 7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.448 0.869 7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.901 1.705 7.300 1.00 0.00 H new ATOM 226 N GLY A 14 4.925 0.165 4.132 1.00 0.00 N ATOM 227 CA GLY A 14 6.200 0.814 4.087 1.00 0.00 C ATOM 228 C GLY A 14 6.508 1.202 2.651 1.00 0.00 C ATOM 229 O GLY A 14 7.035 2.288 2.400 1.00 0.00 O ATOM 0 H GLY A 14 4.963 -0.818 4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.194 1.699 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.974 0.150 4.472 1.00 0.00 H new ATOM 233 N GLU A 15 6.146 0.319 1.700 1.00 0.00 N ATOM 234 CA GLU A 15 6.375 0.614 0.298 1.00 0.00 C ATOM 235 C GLU A 15 5.468 1.750 -0.154 1.00 0.00 C ATOM 236 O GLU A 15 5.888 2.671 -0.852 1.00 0.00 O ATOM 237 CB GLU A 15 6.022 -0.611 -0.551 1.00 0.00 C ATOM 238 CG GLU A 15 6.999 -1.765 -0.298 1.00 0.00 C ATOM 239 CD GLU A 15 7.868 -2.009 -1.532 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.638 -1.123 -1.876 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.748 -3.069 -2.122 1.00 0.00 O ATOM 0 H GLU A 15 5.704 -0.582 1.884 1.00 0.00 H new ATOM 0 HA GLU A 15 7.423 0.888 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.007 -0.935 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.040 -0.342 -1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.631 -1.533 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.445 -2.671 -0.051 1.00 0.00 H new ATOM 248 N ILE A 16 4.205 1.629 0.235 1.00 0.00 N ATOM 249 CA ILE A 16 3.172 2.586 -0.124 1.00 0.00 C ATOM 250 C ILE A 16 3.315 3.936 0.581 1.00 0.00 C ATOM 251 O ILE A 16 3.121 4.987 -0.031 1.00 0.00 O ATOM 252 CB ILE A 16 1.816 1.903 0.098 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.737 0.828 -0.992 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.631 2.883 -0.006 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.515 -0.068 -0.849 1.00 0.00 C ATOM 0 H ILE A 16 3.869 0.858 0.812 1.00 0.00 H new ATOM 0 HA ILE A 16 3.270 2.859 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 16 1.747 1.489 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.717 1.309 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.638 0.215 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.302 2.345 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.738 3.664 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.618 3.334 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.512 -0.810 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.546 -0.574 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.389 0.537 -0.912 1.00 0.00 H new ATOM 267 N MET A 17 3.661 3.903 1.856 1.00 0.00 N ATOM 268 CA MET A 17 3.840 5.129 2.629 1.00 0.00 C ATOM 269 C MET A 17 5.031 5.929 2.091 1.00 0.00 C ATOM 270 O MET A 17 5.097 7.149 2.259 1.00 0.00 O ATOM 271 CB MET A 17 4.031 4.788 4.115 1.00 0.00 C ATOM 272 CG MET A 17 2.688 4.344 4.714 1.00 0.00 C ATOM 273 SD MET A 17 1.541 5.738 4.822 1.00 0.00 S ATOM 274 CE MET A 17 0.011 4.763 4.745 1.00 0.00 C ATOM 0 H MET A 17 3.824 3.044 2.381 1.00 0.00 H new ATOM 0 HA MET A 17 2.948 5.747 2.530 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.771 3.995 4.225 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.412 5.656 4.653 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.253 3.556 4.099 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.849 3.922 5.706 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.847 5.421 4.886 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.061 4.275 3.773 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.021 4.007 5.530 1.00 0.00 H new ATOM 284 N ARG A 18 5.958 5.227 1.430 1.00 0.00 N ATOM 285 CA ARG A 18 7.140 5.849 0.845 1.00 0.00 C ATOM 286 C ARG A 18 6.749 6.719 -0.350 1.00 0.00 C ATOM 287 O ARG A 18 7.371 7.749 -0.613 1.00 0.00 O ATOM 288 CB ARG A 18 8.088 4.734 0.393 1.00 0.00 C ATOM 289 CG ARG A 18 9.369 5.310 -0.219 1.00 0.00 C ATOM 290 CD ARG A 18 10.165 4.172 -0.861 1.00 0.00 C ATOM 291 NE ARG A 18 10.587 3.202 0.151 1.00 0.00 N ATOM 292 CZ ARG A 18 10.022 2.000 0.239 1.00 0.00 C ATOM 293 NH1 ARG A 18 9.979 1.217 -0.802 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.511 1.603 1.369 1.00 0.00 N ATOM 0 H ARG A 18 5.906 4.218 1.289 1.00 0.00 H new ATOM 0 HA ARG A 18 7.628 6.487 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.341 4.101 1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.586 4.100 -0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.124 6.066 -0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.966 5.801 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.555 3.676 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.039 4.576 -1.372 1.00 0.00 H new ATOM 0 HE ARG A 18 11.330 3.453 0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.379 1.525 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.545 0.297 -0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.544 2.213 2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.078 0.682 1.437 1.00 0.00 H new ATOM 308 N LEU A 19 5.729 6.259 -1.074 1.00 0.00 N ATOM 309 CA LEU A 19 5.237 6.933 -2.273 1.00 0.00 C ATOM 310 C LEU A 19 4.945 8.423 -2.048 1.00 0.00 C ATOM 311 O LEU A 19 3.942 8.775 -1.423 1.00 0.00 O ATOM 312 CB LEU A 19 3.957 6.239 -2.732 1.00 0.00 C ATOM 313 CG LEU A 19 4.179 4.723 -2.802 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.888 4.026 -3.218 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.290 4.405 -3.803 1.00 0.00 C ATOM 0 H LEU A 19 5.220 5.406 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 19 6.021 6.871 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.144 6.464 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.659 6.617 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 19 4.475 4.362 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.054 2.950 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.107 4.241 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.578 4.389 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.442 3.327 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.007 4.772 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.214 4.889 -3.487 1.00 0.00 H new ATOM 327 N PRO A 20 5.785 9.301 -2.565 1.00 0.00 N ATOM 328 CA PRO A 20 5.594 10.776 -2.440 1.00 0.00 C ATOM 329 C PRO A 20 4.616 11.311 -3.489 1.00 0.00 C ATOM 330 O PRO A 20 4.292 12.501 -3.491 1.00 0.00 O ATOM 331 CB PRO A 20 6.998 11.360 -2.698 1.00 0.00 C ATOM 332 CG PRO A 20 7.904 10.201 -2.991 1.00 0.00 C ATOM 333 CD PRO A 20 7.013 9.008 -3.316 1.00 0.00 C ATOM 0 HA PRO A 20 5.180 11.046 -1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.979 12.057 -3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.351 11.916 -1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.563 10.429 -3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.541 9.984 -2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.822 8.926 -4.386 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.465 8.068 -3.000 1.00 0.00 H new ATOM 341 N ASN A 21 4.188 10.434 -4.406 1.00 0.00 N ATOM 342 CA ASN A 21 3.291 10.839 -5.491 1.00 0.00 C ATOM 343 C ASN A 21 1.835 10.445 -5.233 1.00 0.00 C ATOM 344 O ASN A 21 1.034 10.316 -6.164 1.00 0.00 O ATOM 345 CB ASN A 21 3.793 10.234 -6.799 1.00 0.00 C ATOM 346 CG ASN A 21 5.107 10.896 -7.210 1.00 0.00 C ATOM 347 OD1 ASN A 21 6.059 10.173 -7.717 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.268 12.108 -7.065 1.00 0.00 N flip ATOM 0 H ASN A 21 4.447 9.447 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 21 3.303 11.927 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.939 9.160 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.047 10.370 -7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.521 12.678 -6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.148 12.542 -7.343 1.00 0.00 H new ATOM 355 N LEU A 22 1.508 10.276 -3.964 1.00 0.00 N ATOM 356 CA LEU A 22 0.160 9.922 -3.539 1.00 0.00 C ATOM 357 C LEU A 22 -0.273 10.813 -2.399 1.00 0.00 C ATOM 358 O LEU A 22 0.554 11.228 -1.582 1.00 0.00 O ATOM 359 CB LEU A 22 0.124 8.474 -3.052 1.00 0.00 C ATOM 360 CG LEU A 22 0.330 7.525 -4.225 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.694 6.145 -3.698 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.966 7.427 -5.015 1.00 0.00 C ATOM 0 H LEU A 22 2.170 10.380 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.509 10.047 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.900 8.314 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.831 8.267 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 22 1.130 7.898 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.842 5.463 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.613 6.209 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.112 5.773 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.828 6.749 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.758 7.047 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.242 8.414 -5.385 1.00 0.00 H new ATOM 374 N ASN A 23 -1.575 11.042 -2.296 1.00 0.00 N ATOM 375 CA ASN A 23 -2.094 11.819 -1.183 1.00 0.00 C ATOM 376 C ASN A 23 -2.330 10.835 -0.063 1.00 0.00 C ATOM 377 O ASN A 23 -2.406 9.628 -0.312 1.00 0.00 O ATOM 378 CB ASN A 23 -3.385 12.573 -1.546 1.00 0.00 C ATOM 379 CG ASN A 23 -4.081 11.930 -2.737 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.973 11.103 -2.563 1.00 0.00 O ATOM 381 ND2 ASN A 23 -3.721 12.266 -3.947 1.00 0.00 N ATOM 0 H ASN A 23 -2.278 10.708 -2.956 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.384 12.594 -0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.058 12.581 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.150 13.612 -1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.181 11.841 -4.752 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.980 12.953 -4.086 1.00 0.00 H new ATOM 388 N SER A 24 -2.412 11.321 1.160 1.00 0.00 N ATOM 389 CA SER A 24 -2.593 10.424 2.286 1.00 0.00 C ATOM 390 C SER A 24 -3.744 9.466 2.052 1.00 0.00 C ATOM 391 O SER A 24 -3.677 8.328 2.455 1.00 0.00 O ATOM 392 CB SER A 24 -2.848 11.199 3.562 1.00 0.00 C ATOM 393 OG SER A 24 -3.992 12.029 3.400 1.00 0.00 O ATOM 0 H SER A 24 -2.358 12.311 1.398 1.00 0.00 H new ATOM 0 HA SER A 24 -1.671 9.852 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.002 10.510 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.978 11.807 3.809 1.00 0.00 H new ATOM 0 HG SER A 24 -4.155 12.527 4.228 1.00 0.00 H new ATOM 399 N LEU A 25 -4.792 9.927 1.394 1.00 0.00 N ATOM 400 CA LEU A 25 -5.940 9.075 1.138 1.00 0.00 C ATOM 401 C LEU A 25 -5.562 7.899 0.289 1.00 0.00 C ATOM 402 O LEU A 25 -5.890 6.782 0.632 1.00 0.00 O ATOM 403 CB LEU A 25 -7.009 9.852 0.402 1.00 0.00 C ATOM 404 CG LEU A 25 -7.386 11.125 1.167 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.432 12.277 0.819 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.792 11.517 0.748 1.00 0.00 C ATOM 0 H LEU A 25 -4.873 10.876 1.030 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.310 8.728 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.653 10.114 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.892 9.227 0.270 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.323 10.935 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.721 13.169 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.412 11.998 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.485 12.483 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.090 12.422 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.814 11.700 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.483 10.710 0.992 1.00 0.00 H new ATOM 418 N GLN A 26 -4.858 8.153 -0.806 1.00 0.00 N ATOM 419 CA GLN A 26 -4.426 7.081 -1.672 1.00 0.00 C ATOM 420 C GLN A 26 -3.443 6.215 -0.940 1.00 0.00 C ATOM 421 O GLN A 26 -3.522 4.996 -0.965 1.00 0.00 O ATOM 422 CB GLN A 26 -3.768 7.650 -2.895 1.00 0.00 C ATOM 423 CG GLN A 26 -4.845 8.188 -3.829 1.00 0.00 C ATOM 424 CD GLN A 26 -4.203 8.773 -5.063 1.00 0.00 C ATOM 425 OE1 GLN A 26 -4.160 9.988 -5.229 1.00 0.00 O ATOM 426 NE2 GLN A 26 -3.687 7.964 -5.942 1.00 0.00 N ATOM 0 H GLN A 26 -4.579 9.086 -1.108 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.291 6.488 -1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.078 8.447 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.181 6.882 -3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.530 7.388 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.435 8.949 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.729 6.956 -5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.241 8.338 -6.780 1.00 0.00 H new ATOM 435 N VAL A 27 -2.544 6.887 -0.247 1.00 0.00 N ATOM 436 CA VAL A 27 -1.539 6.226 0.543 1.00 0.00 C ATOM 437 C VAL A 27 -2.242 5.324 1.546 1.00 0.00 C ATOM 438 O VAL A 27 -1.875 4.166 1.741 1.00 0.00 O ATOM 439 CB VAL A 27 -0.730 7.324 1.262 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.049 6.775 2.448 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.255 7.972 0.282 1.00 0.00 C ATOM 0 H VAL A 27 -2.495 7.905 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.870 5.617 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.443 8.061 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.604 7.583 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.644 6.337 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.745 6.011 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.823 8.747 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.939 7.214 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.296 8.416 -0.547 1.00 0.00 H new ATOM 451 N VAL A 28 -3.278 5.884 2.143 1.00 0.00 N ATOM 452 CA VAL A 28 -4.101 5.171 3.109 1.00 0.00 C ATOM 453 C VAL A 28 -4.986 4.145 2.436 1.00 0.00 C ATOM 454 O VAL A 28 -5.260 3.078 2.983 1.00 0.00 O ATOM 455 CB VAL A 28 -4.892 6.131 3.974 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.679 5.323 5.009 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.884 7.027 4.697 1.00 0.00 C ATOM 0 H VAL A 28 -3.574 6.845 1.974 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.433 4.622 3.772 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.582 6.727 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.254 6.001 5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.357 4.640 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.987 4.752 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.416 7.735 5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.226 6.412 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.291 7.573 3.963 1.00 0.00 H new ATOM 467 N ALA A 29 -5.435 4.499 1.245 1.00 0.00 N ATOM 468 CA ALA A 29 -6.297 3.651 0.456 1.00 0.00 C ATOM 469 C ALA A 29 -5.633 2.326 0.310 1.00 0.00 C ATOM 470 O ALA A 29 -6.263 1.271 0.376 1.00 0.00 O ATOM 471 CB ALA A 29 -6.435 4.251 -0.926 1.00 0.00 C ATOM 0 H ALA A 29 -5.208 5.388 0.800 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.272 3.554 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.084 3.620 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.868 5.248 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.453 4.317 -1.394 1.00 0.00 H new ATOM 477 N PHE A 30 -4.333 2.407 0.135 1.00 0.00 N ATOM 478 CA PHE A 30 -3.546 1.256 0.011 1.00 0.00 C ATOM 479 C PHE A 30 -3.469 0.556 1.320 1.00 0.00 C ATOM 480 O PHE A 30 -3.588 -0.656 1.341 1.00 0.00 O ATOM 481 CB PHE A 30 -2.182 1.646 -0.464 1.00 0.00 C ATOM 482 CG PHE A 30 -2.285 1.894 -1.932 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.621 0.840 -2.778 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.081 3.170 -2.443 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.762 1.067 -4.134 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.220 3.398 -3.795 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.568 2.348 -4.653 1.00 0.00 C ATOM 0 H PHE A 30 -3.816 3.284 0.078 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.992 0.575 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.834 2.539 0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.461 0.856 -0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.771 -0.151 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.814 3.981 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.023 0.252 -4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.060 4.389 -4.194 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.686 2.528 -5.711 1.00 0.00 H new ATOM 497 N ILE A 31 -3.326 1.317 2.425 1.00 0.00 N ATOM 498 CA ILE A 31 -3.278 0.659 3.730 1.00 0.00 C ATOM 499 C ILE A 31 -4.533 -0.182 3.855 1.00 0.00 C ATOM 500 O ILE A 31 -4.516 -1.303 4.372 1.00 0.00 O ATOM 501 CB ILE A 31 -3.331 1.645 4.910 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.186 2.645 4.873 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.251 0.863 6.235 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.418 3.683 5.983 1.00 0.00 C ATOM 0 H ILE A 31 -3.246 2.334 2.437 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.344 0.100 3.775 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.270 2.194 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.233 2.137 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.139 3.133 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.288 1.560 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.091 0.172 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.317 0.303 6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.607 4.412 5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.366 4.193 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.445 3.181 6.950 1.00 0.00 H new ATOM 516 N ASN A 32 -5.623 0.408 3.373 1.00 0.00 N ATOM 517 CA ASN A 32 -6.921 -0.228 3.418 1.00 0.00 C ATOM 518 C ASN A 32 -6.993 -1.449 2.519 1.00 0.00 C ATOM 519 O ASN A 32 -7.540 -2.473 2.912 1.00 0.00 O ATOM 520 CB ASN A 32 -7.980 0.799 3.007 1.00 0.00 C ATOM 521 CG ASN A 32 -8.374 1.666 4.198 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.561 1.863 4.459 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.444 2.205 4.939 1.00 0.00 N ATOM 0 H ASN A 32 -5.625 1.334 2.945 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.102 -0.577 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.594 1.427 2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.859 0.287 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.701 2.790 5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.461 2.042 4.722 1.00 0.00 H new ATOM 530 N SER A 33 -6.447 -1.345 1.317 1.00 0.00 N ATOM 531 CA SER A 33 -6.479 -2.459 0.397 1.00 0.00 C ATOM 532 C SER A 33 -5.670 -3.641 0.935 1.00 0.00 C ATOM 533 O SER A 33 -6.033 -4.796 0.713 1.00 0.00 O ATOM 534 CB SER A 33 -5.943 -2.017 -0.951 1.00 0.00 C ATOM 535 OG SER A 33 -6.576 -0.805 -1.341 1.00 0.00 O ATOM 0 H SER A 33 -5.983 -0.508 0.963 1.00 0.00 H new ATOM 0 HA SER A 33 -7.511 -2.790 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.864 -1.874 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.124 -2.790 -1.697 1.00 0.00 H new ATOM 0 HG SER A 33 -6.282 -0.078 -0.753 1.00 0.00 H new ATOM 541 N LEU A 34 -4.564 -3.344 1.628 1.00 0.00 N ATOM 542 CA LEU A 34 -3.702 -4.418 2.176 1.00 0.00 C ATOM 543 C LEU A 34 -4.504 -5.345 3.090 1.00 0.00 C ATOM 544 O LEU A 34 -4.396 -6.559 2.999 1.00 0.00 O ATOM 545 CB LEU A 34 -2.524 -3.895 3.027 1.00 0.00 C ATOM 546 CG LEU A 34 -1.883 -2.621 2.466 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.543 -2.352 3.156 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.633 -2.742 0.966 1.00 0.00 C ATOM 0 H LEU A 34 -4.244 -2.396 1.824 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.315 -4.934 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.876 -3.699 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.764 -4.673 3.099 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.576 -1.801 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.099 -1.444 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.704 -2.227 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.129 -3.193 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.178 -1.823 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.963 -3.580 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.579 -2.910 0.452 1.00 0.00 H new ATOM 560 N ARG A 35 -5.298 -4.758 3.983 1.00 0.00 N ATOM 561 CA ARG A 35 -6.105 -5.553 4.913 1.00 0.00 C ATOM 562 C ARG A 35 -7.247 -6.219 4.163 1.00 0.00 C ATOM 563 O ARG A 35 -7.632 -7.350 4.468 1.00 0.00 O ATOM 564 CB ARG A 35 -6.610 -4.668 6.064 1.00 0.00 C ATOM 565 CG ARG A 35 -7.950 -4.002 5.724 1.00 0.00 C ATOM 566 CD ARG A 35 -8.196 -2.827 6.675 1.00 0.00 C ATOM 567 NE ARG A 35 -9.550 -2.313 6.492 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.789 -1.241 5.748 1.00 0.00 C ATOM 569 NH1 ARG A 35 -9.834 -1.343 4.452 1.00 0.00 N ATOM 570 NH2 ARG A 35 -9.982 -0.087 6.320 1.00 0.00 N ATOM 0 H ARG A 35 -5.401 -3.748 4.084 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.492 -6.340 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.722 -5.272 6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.868 -3.901 6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.942 -3.652 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.760 -4.727 5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.056 -3.148 7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.469 -2.037 6.486 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.330 -2.789 6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.685 -2.248 4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.018 -0.518 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.949 -0.010 7.337 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.166 0.740 5.751 1.00 0.00 H new ATOM 584 N ASP A 36 -7.751 -5.511 3.156 1.00 0.00 N ATOM 585 CA ASP A 36 -8.816 -6.022 2.320 1.00 0.00 C ATOM 586 C ASP A 36 -8.274 -7.192 1.507 1.00 0.00 C ATOM 587 O ASP A 36 -9.031 -8.035 1.021 1.00 0.00 O ATOM 588 CB ASP A 36 -9.321 -4.903 1.390 1.00 0.00 C ATOM 589 CG ASP A 36 -9.961 -3.756 2.190 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.337 -3.970 3.335 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.057 -2.670 1.642 1.00 0.00 O ATOM 0 H ASP A 36 -7.431 -4.576 2.904 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.651 -6.363 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.491 -4.517 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.050 -5.311 0.689 1.00 0.00 H new ATOM 596 N ASP A 37 -6.941 -7.221 1.378 1.00 0.00 N ATOM 597 CA ASP A 37 -6.259 -8.273 0.631 1.00 0.00 C ATOM 598 C ASP A 37 -4.733 -8.178 0.829 1.00 0.00 C ATOM 599 O ASP A 37 -4.047 -7.476 0.080 1.00 0.00 O ATOM 600 CB ASP A 37 -6.600 -8.144 -0.859 1.00 0.00 C ATOM 601 CG ASP A 37 -6.315 -9.460 -1.594 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.281 -10.061 -1.333 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.134 -9.847 -2.410 1.00 0.00 O ATOM 0 H ASP A 37 -6.317 -6.524 1.784 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.595 -9.242 1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.650 -7.876 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.015 -7.339 -1.303 1.00 0.00 H new ATOM 608 N PRO A 38 -4.192 -8.867 1.817 1.00 0.00 N ATOM 609 CA PRO A 38 -2.724 -8.847 2.097 1.00 0.00 C ATOM 610 C PRO A 38 -1.937 -9.551 0.998 1.00 0.00 C ATOM 611 O PRO A 38 -0.817 -9.159 0.675 1.00 0.00 O ATOM 612 CB PRO A 38 -2.556 -9.573 3.435 1.00 0.00 C ATOM 613 CG PRO A 38 -3.919 -9.977 3.893 1.00 0.00 C ATOM 614 CD PRO A 38 -4.912 -9.731 2.757 1.00 0.00 C ATOM 0 HA PRO A 38 -2.341 -7.827 2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.914 -10.446 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.081 -8.922 4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.925 -11.029 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.206 -9.405 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.214 -10.666 2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.820 -9.250 3.121 1.00 0.00 H new ATOM 622 N SER A 39 -2.549 -10.579 0.408 1.00 0.00 N ATOM 623 CA SER A 39 -1.916 -11.318 -0.675 1.00 0.00 C ATOM 624 C SER A 39 -1.688 -10.375 -1.841 1.00 0.00 C ATOM 625 O SER A 39 -0.732 -10.524 -2.606 1.00 0.00 O ATOM 626 CB SER A 39 -2.805 -12.486 -1.112 1.00 0.00 C ATOM 627 OG SER A 39 -2.099 -13.291 -2.049 1.00 0.00 O ATOM 0 H SER A 39 -3.478 -10.914 0.663 1.00 0.00 H new ATOM 0 HA SER A 39 -0.963 -11.722 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.092 -13.083 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.725 -12.110 -1.559 1.00 0.00 H new ATOM 0 HG SER A 39 -2.665 -14.040 -2.329 1.00 0.00 H new ATOM 633 N GLN A 40 -2.580 -9.390 -1.947 1.00 0.00 N ATOM 634 CA GLN A 40 -2.496 -8.394 -2.996 1.00 0.00 C ATOM 635 C GLN A 40 -1.841 -7.121 -2.481 1.00 0.00 C ATOM 636 O GLN A 40 -1.850 -6.109 -3.171 1.00 0.00 O ATOM 637 CB GLN A 40 -3.893 -8.081 -3.546 1.00 0.00 C ATOM 638 CG GLN A 40 -4.438 -9.304 -4.291 1.00 0.00 C ATOM 639 CD GLN A 40 -3.737 -9.454 -5.639 1.00 0.00 C ATOM 640 OE1 GLN A 40 -2.789 -10.229 -5.766 1.00 0.00 O ATOM 641 NE2 GLN A 40 -4.144 -8.747 -6.658 1.00 0.00 N ATOM 0 H GLN A 40 -3.369 -9.267 -1.313 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.881 -8.798 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.564 -7.811 -2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.847 -7.224 -4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.286 -10.202 -3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.512 -9.199 -4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.930 -8.105 -6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.677 -8.837 -7.560 1.00 0.00 H new ATOM 650 N SER A 41 -1.241 -7.176 -1.284 1.00 0.00 N ATOM 651 CA SER A 41 -0.567 -6.001 -0.735 1.00 0.00 C ATOM 652 C SER A 41 0.430 -5.532 -1.774 1.00 0.00 C ATOM 653 O SER A 41 0.530 -4.355 -2.064 1.00 0.00 O ATOM 654 CB SER A 41 0.166 -6.349 0.576 1.00 0.00 C ATOM 655 OG SER A 41 1.293 -7.159 0.270 1.00 0.00 O ATOM 0 H SER A 41 -1.210 -8.005 -0.691 1.00 0.00 H new ATOM 0 HA SER A 41 -1.295 -5.222 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.483 -5.438 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.504 -6.876 1.255 1.00 0.00 H new ATOM 0 HG SER A 41 2.102 -6.606 0.266 1.00 0.00 H new ATOM 661 N ALA A 42 1.124 -6.506 -2.351 1.00 0.00 N ATOM 662 CA ALA A 42 2.100 -6.271 -3.392 1.00 0.00 C ATOM 663 C ALA A 42 1.464 -5.671 -4.642 1.00 0.00 C ATOM 664 O ALA A 42 2.063 -4.827 -5.290 1.00 0.00 O ATOM 665 CB ALA A 42 2.755 -7.594 -3.765 1.00 0.00 C ATOM 0 H ALA A 42 1.019 -7.490 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 42 2.835 -5.563 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.493 -7.426 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.247 -8.016 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.995 -8.288 -4.124 1.00 0.00 H new ATOM 671 N ASN A 43 0.247 -6.116 -4.962 1.00 0.00 N ATOM 672 CA ASN A 43 -0.482 -5.626 -6.130 1.00 0.00 C ATOM 673 C ASN A 43 -0.930 -4.208 -5.882 1.00 0.00 C ATOM 674 O ASN A 43 -0.990 -3.371 -6.776 1.00 0.00 O ATOM 675 CB ASN A 43 -1.719 -6.478 -6.325 1.00 0.00 C ATOM 676 CG ASN A 43 -2.359 -6.198 -7.682 1.00 0.00 C ATOM 677 OD1 ASN A 43 -3.378 -5.513 -7.759 1.00 0.00 O ATOM 678 ND2 ASN A 43 -1.820 -6.690 -8.761 1.00 0.00 N ATOM 0 H ASN A 43 -0.256 -6.820 -4.423 1.00 0.00 H new ATOM 0 HA ASN A 43 0.164 -5.671 -7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.455 -7.533 -6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.436 -6.274 -5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.243 -6.507 -9.671 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.975 -7.258 -8.696 1.00 0.00 H new ATOM 685 N LEU A 44 -1.273 -3.991 -4.639 1.00 0.00 N ATOM 686 CA LEU A 44 -1.746 -2.712 -4.168 1.00 0.00 C ATOM 687 C LEU A 44 -0.614 -1.746 -4.112 1.00 0.00 C ATOM 688 O LEU A 44 -0.691 -0.641 -4.614 1.00 0.00 O ATOM 689 CB LEU A 44 -2.340 -2.938 -2.801 1.00 0.00 C ATOM 690 CG LEU A 44 -3.582 -3.783 -3.002 1.00 0.00 C ATOM 691 CD1 LEU A 44 -4.040 -4.421 -1.690 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.640 -2.875 -3.584 1.00 0.00 C ATOM 0 H LEU A 44 -1.232 -4.707 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.497 -2.292 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.629 -3.444 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.590 -1.989 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.380 -4.613 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.933 -5.020 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.247 -5.059 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.267 -3.639 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.557 -3.442 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.838 -2.056 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.290 -2.471 -4.534 1.00 0.00 H new ATOM 704 N LEU A 45 0.456 -2.218 -3.540 1.00 0.00 N ATOM 705 CA LEU A 45 1.660 -1.449 -3.453 1.00 0.00 C ATOM 706 C LEU A 45 2.185 -1.278 -4.873 1.00 0.00 C ATOM 707 O LEU A 45 2.721 -0.233 -5.235 1.00 0.00 O ATOM 708 CB LEU A 45 2.609 -2.153 -2.471 1.00 0.00 C ATOM 709 CG LEU A 45 3.834 -2.701 -3.149 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.758 -1.530 -3.472 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.505 -3.686 -2.183 1.00 0.00 C ATOM 0 H LEU A 45 0.517 -3.146 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 45 1.522 -0.445 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.911 -1.450 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.077 -2.965 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 45 3.591 -3.223 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.656 -1.901 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.243 -0.832 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.035 -1.020 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.399 -4.101 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.782 -3.165 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.812 -4.493 -1.946 1.00 0.00 H new ATOM 723 N ALA A 46 1.939 -2.304 -5.687 1.00 0.00 N ATOM 724 CA ALA A 46 2.300 -2.261 -7.102 1.00 0.00 C ATOM 725 C ALA A 46 1.468 -1.187 -7.758 1.00 0.00 C ATOM 726 O ALA A 46 1.966 -0.383 -8.546 1.00 0.00 O ATOM 727 CB ALA A 46 1.975 -3.579 -7.798 1.00 0.00 C ATOM 0 H ALA A 46 1.493 -3.172 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 46 3.370 -2.069 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.256 -3.514 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.531 -4.388 -7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.906 -3.778 -7.719 1.00 0.00 H new ATOM 733 N GLU A 47 0.183 -1.176 -7.388 1.00 0.00 N ATOM 734 CA GLU A 47 -0.738 -0.199 -7.901 1.00 0.00 C ATOM 735 C GLU A 47 -0.322 1.154 -7.407 1.00 0.00 C ATOM 736 O GLU A 47 -0.330 2.120 -8.132 1.00 0.00 O ATOM 737 CB GLU A 47 -2.133 -0.502 -7.367 1.00 0.00 C ATOM 738 CG GLU A 47 -3.005 -1.171 -8.435 1.00 0.00 C ATOM 739 CD GLU A 47 -2.912 -0.447 -9.784 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.104 0.758 -9.811 1.00 0.00 O ATOM 741 OE2 GLU A 47 -2.650 -1.113 -10.772 1.00 0.00 O ATOM 0 H GLU A 47 -0.228 -1.841 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.741 -0.224 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.058 -1.153 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.606 0.422 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.696 -2.209 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.042 -1.184 -8.101 1.00 0.00 H new ATOM 748 N ALA A 48 0.042 1.178 -6.147 1.00 0.00 N ATOM 749 CA ALA A 48 0.474 2.387 -5.491 1.00 0.00 C ATOM 750 C ALA A 48 1.662 2.980 -6.216 1.00 0.00 C ATOM 751 O ALA A 48 1.694 4.174 -6.490 1.00 0.00 O ATOM 752 CB ALA A 48 0.846 2.063 -4.065 1.00 0.00 C ATOM 0 H ALA A 48 0.046 0.354 -5.546 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.335 3.118 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.174 2.971 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.021 1.653 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.654 1.331 -4.057 1.00 0.00 H new ATOM 758 N LYS A 49 2.615 2.126 -6.566 1.00 0.00 N ATOM 759 CA LYS A 49 3.776 2.577 -7.319 1.00 0.00 C ATOM 760 C LYS A 49 3.307 3.048 -8.687 1.00 0.00 C ATOM 761 O LYS A 49 3.822 4.024 -9.234 1.00 0.00 O ATOM 762 CB LYS A 49 4.806 1.450 -7.457 1.00 0.00 C ATOM 763 CG LYS A 49 5.500 1.238 -6.107 1.00 0.00 C ATOM 764 CD LYS A 49 6.576 0.153 -6.232 1.00 0.00 C ATOM 765 CE LYS A 49 7.259 -0.041 -4.874 1.00 0.00 C ATOM 766 NZ LYS A 49 7.702 -1.458 -4.731 1.00 0.00 N ATOM 0 H LYS A 49 2.608 1.130 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 49 4.261 3.398 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.317 0.530 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.540 1.703 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.951 2.172 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.767 0.949 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.128 -0.784 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.311 0.439 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.115 0.628 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.570 0.218 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.433 -1.813 -3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.247 -2.040 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.735 -1.511 -4.839 1.00 0.00 H new ATOM 780 N LYS A 50 2.286 2.357 -9.212 1.00 0.00 N ATOM 781 CA LYS A 50 1.698 2.708 -10.488 1.00 0.00 C ATOM 782 C LYS A 50 0.942 4.023 -10.339 1.00 0.00 C ATOM 783 O LYS A 50 0.938 4.853 -11.235 1.00 0.00 O ATOM 784 CB LYS A 50 0.754 1.581 -10.913 1.00 0.00 C ATOM 785 CG LYS A 50 0.465 1.650 -12.412 1.00 0.00 C ATOM 786 CD LYS A 50 -0.656 0.660 -12.738 1.00 0.00 C ATOM 787 CE LYS A 50 -0.135 -0.783 -12.644 1.00 0.00 C ATOM 788 NZ LYS A 50 -1.184 -1.720 -13.134 1.00 0.00 N ATOM 0 H LYS A 50 1.856 1.549 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 50 2.467 2.834 -11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.199 0.616 -10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.179 1.653 -10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.171 2.661 -12.695 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.362 1.407 -12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.487 0.800 -12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.040 0.851 -13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.773 -0.893 -13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.127 -1.020 -11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.776 -2.670 -13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.964 -1.759 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.546 -1.387 -14.050 1.00 0.00 H new ATOM 802 N LEU A 51 0.323 4.185 -9.166 1.00 0.00 N ATOM 803 CA LEU A 51 -0.439 5.374 -8.814 1.00 0.00 C ATOM 804 C LEU A 51 0.504 6.548 -8.665 1.00 0.00 C ATOM 805 O LEU A 51 0.257 7.645 -9.164 1.00 0.00 O ATOM 806 CB LEU A 51 -1.100 5.144 -7.453 1.00 0.00 C ATOM 807 CG LEU A 51 -2.562 4.698 -7.550 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.432 5.876 -8.023 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.704 3.461 -8.474 1.00 0.00 C ATOM 0 H LEU A 51 0.341 3.481 -8.428 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.181 5.573 -9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.534 4.390 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.047 6.065 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.912 4.394 -6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.472 5.556 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.351 6.697 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.090 6.210 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.751 3.164 -8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.347 3.710 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.113 2.638 -8.073 1.00 0.00 H new ATOM 821 N ASN A 52 1.595 6.275 -7.956 1.00 0.00 N ATOM 822 CA ASN A 52 2.618 7.246 -7.696 1.00 0.00 C ATOM 823 C ASN A 52 3.196 7.724 -9.013 1.00 0.00 C ATOM 824 O ASN A 52 3.337 8.921 -9.261 1.00 0.00 O ATOM 825 CB ASN A 52 3.676 6.548 -6.824 1.00 0.00 C ATOM 826 CG ASN A 52 5.098 6.982 -7.162 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.650 6.597 -8.192 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.730 7.741 -6.334 1.00 0.00 N ATOM 0 H ASN A 52 1.783 5.359 -7.547 1.00 0.00 H new ATOM 0 HA ASN A 52 2.235 8.124 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.475 6.763 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.590 5.469 -6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.690 8.024 -6.532 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.270 8.059 -5.481 1.00 0.00 H new ATOM 835 N ASP A 53 3.513 6.762 -9.855 1.00 0.00 N ATOM 836 CA ASP A 53 4.064 7.052 -11.147 1.00 0.00 C ATOM 837 C ASP A 53 3.016 7.697 -12.051 1.00 0.00 C ATOM 838 O ASP A 53 3.340 8.516 -12.913 1.00 0.00 O ATOM 839 CB ASP A 53 4.562 5.756 -11.794 1.00 0.00 C ATOM 840 CG ASP A 53 5.325 6.066 -13.082 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.507 6.361 -12.991 1.00 0.00 O ATOM 842 OD2 ASP A 53 4.717 6.008 -14.138 1.00 0.00 O ATOM 0 H ASP A 53 3.394 5.768 -9.658 1.00 0.00 H new ATOM 0 HA ASP A 53 4.893 7.748 -11.021 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.209 5.220 -11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.717 5.102 -12.012 1.00 0.00 H new ATOM 847 N ALA A 54 1.765 7.268 -11.874 1.00 0.00 N ATOM 848 CA ALA A 54 0.663 7.750 -12.709 1.00 0.00 C ATOM 849 C ALA A 54 0.218 9.166 -12.405 1.00 0.00 C ATOM 850 O ALA A 54 -0.104 9.925 -13.324 1.00 0.00 O ATOM 851 CB ALA A 54 -0.536 6.857 -12.474 1.00 0.00 C ATOM 0 H ALA A 54 1.490 6.590 -11.163 1.00 0.00 H new ATOM 0 HA ALA A 54 1.032 7.733 -13.734 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.370 7.199 -13.087 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.284 5.831 -12.743 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.819 6.897 -11.422 1.00 0.00 H new ATOM 857 N GLN A 55 0.152 9.513 -11.127 1.00 0.00 N ATOM 858 CA GLN A 55 -0.315 10.831 -10.752 1.00 0.00 C ATOM 859 C GLN A 55 0.791 11.842 -10.764 1.00 0.00 C ATOM 860 O GLN A 55 0.621 12.944 -11.292 1.00 0.00 O ATOM 861 CB GLN A 55 -0.901 10.784 -9.354 1.00 0.00 C ATOM 862 CG GLN A 55 -2.221 10.027 -9.383 1.00 0.00 C ATOM 863 CD GLN A 55 -2.828 10.009 -7.994 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.004 9.687 -7.849 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.095 10.344 -6.957 1.00 0.00 N ATOM 0 H GLN A 55 0.412 8.909 -10.348 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.067 11.129 -11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.204 10.296 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.058 11.796 -8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.908 10.500 -10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.059 9.008 -9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.119 10.610 -7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.502 10.338 -6.022 1.00 0.00 H new ATOM 874 N ALA A 56 1.902 11.468 -10.136 1.00 0.00 N ATOM 875 CA ALA A 56 3.042 12.381 -10.019 1.00 0.00 C ATOM 876 C ALA A 56 2.496 13.784 -9.674 1.00 0.00 C ATOM 877 O ALA A 56 2.611 14.718 -10.471 1.00 0.00 O ATOM 878 CB ALA A 56 3.826 12.396 -11.336 1.00 0.00 C ATOM 0 H ALA A 56 2.040 10.554 -9.705 1.00 0.00 H new ATOM 0 HA ALA A 56 3.723 12.057 -9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.674 13.076 -11.247 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.188 11.392 -11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.175 12.732 -12.143 1.00 0.00 H new