USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 455 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 8 CYS SG : rot -78:sc= -5.64! USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.856 F(o=-4.5!,f=-0.86) USER MOD Single : A 20 SER OG : rot 1:sc= 0.234 USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0267 (180deg=-0.207) USER MOD Single : A 35 LYS NZ :NH3+ -106:sc=-0.00334 (180deg=-1.66!) USER MOD Single : A 38 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 39 MET CE :methyl 152:sc= 0 (180deg=-0.00243) USER MOD Single : A 46 THR OG1 : rot -80:sc= 1.5 USER MOD Single : A 48 SER OG : rot 146:sc= 1.62 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 1 (180deg=0.888) USER MOD Single : A 66 THR OG1 : rot -24:sc= 0.545 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= 0.5! (180deg=0.172!) USER MOD ----------------------------------------------------------------- ATOM 50 N GLU A 4 -7.323 -13.882 -1.600 1.00 0.00 N ATOM 51 CA GLU A 4 -7.500 -12.855 -0.582 1.00 0.00 C ATOM 52 C GLU A 4 -6.181 -12.213 -0.198 1.00 0.00 C ATOM 53 O GLU A 4 -5.310 -12.851 0.399 1.00 0.00 O ATOM 54 CB GLU A 4 -8.147 -13.450 0.659 1.00 0.00 C ATOM 55 CG GLU A 4 -9.521 -14.022 0.403 1.00 0.00 C ATOM 56 CD GLU A 4 -9.986 -14.910 1.537 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.306 -14.372 2.618 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.007 -16.146 1.365 1.00 0.00 O ATOM 0 HA GLU A 4 -8.147 -12.086 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.503 -14.235 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.219 -12.680 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.233 -13.208 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.508 -14.595 -0.524 1.00 0.00 H new ATOM 65 N VAL A 5 -6.051 -10.952 -0.546 1.00 0.00 N ATOM 66 CA VAL A 5 -4.882 -10.172 -0.180 1.00 0.00 C ATOM 67 C VAL A 5 -5.244 -9.227 0.954 1.00 0.00 C ATOM 68 O VAL A 5 -6.212 -8.472 0.850 1.00 0.00 O ATOM 69 CB VAL A 5 -4.343 -9.339 -1.362 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.933 -8.853 -1.070 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.383 -10.129 -2.660 1.00 0.00 C ATOM 0 H VAL A 5 -6.746 -10.438 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.104 -10.872 0.125 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.991 -8.471 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.568 -8.267 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.940 -8.233 -0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.278 -9.710 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.997 -9.514 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.770 -11.025 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.411 -10.416 -2.880 1.00 0.00 H new ATOM 81 N ARG A 6 -4.489 -9.277 2.040 1.00 0.00 N ATOM 82 CA ARG A 6 -4.748 -8.410 3.183 1.00 0.00 C ATOM 83 C ARG A 6 -3.464 -7.712 3.597 1.00 0.00 C ATOM 84 O ARG A 6 -2.376 -8.141 3.220 1.00 0.00 O ATOM 85 CB ARG A 6 -5.310 -9.194 4.379 1.00 0.00 C ATOM 86 CG ARG A 6 -6.386 -10.208 4.026 1.00 0.00 C ATOM 87 CD ARG A 6 -5.803 -11.610 3.926 1.00 0.00 C ATOM 88 NE ARG A 6 -6.841 -12.633 3.823 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.598 -13.943 3.810 1.00 0.00 C ATOM 90 NH1 ARG A 6 -5.357 -14.392 3.944 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.603 -14.800 3.687 1.00 0.00 N ATOM 0 H ARG A 6 -3.694 -9.906 2.156 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.495 -7.676 2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.489 -9.713 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.720 -8.486 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.170 -10.190 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.851 -9.935 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.150 -11.669 3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.185 -11.808 4.802 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.811 -12.325 3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.586 -13.734 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.174 -15.395 3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.559 -14.456 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.419 -15.803 3.677 1.00 0.00 H new ATOM 105 N ASP A 7 -3.591 -6.653 4.383 1.00 0.00 N ATOM 106 CA ASP A 7 -2.431 -5.900 4.850 1.00 0.00 C ATOM 107 C ASP A 7 -1.780 -6.614 6.030 1.00 0.00 C ATOM 108 O ASP A 7 -2.070 -7.784 6.299 1.00 0.00 O ATOM 109 CB ASP A 7 -2.843 -4.471 5.243 1.00 0.00 C ATOM 110 CG ASP A 7 -3.737 -4.409 6.473 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.354 -5.435 6.832 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.811 -3.332 7.097 1.00 0.00 O ATOM 0 H ASP A 7 -4.487 -6.293 4.713 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.705 -5.837 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.945 -3.881 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.362 -4.008 4.404 1.00 0.00 H new ATOM 117 N CYS A 8 -0.917 -5.909 6.746 1.00 0.00 N ATOM 118 CA CYS A 8 -0.207 -6.497 7.876 1.00 0.00 C ATOM 119 C CYS A 8 -1.137 -6.648 9.076 1.00 0.00 C ATOM 120 O CYS A 8 -0.784 -7.260 10.085 1.00 0.00 O ATOM 121 CB CYS A 8 0.985 -5.620 8.248 1.00 0.00 C ATOM 122 SG CYS A 8 0.527 -3.913 8.626 1.00 0.00 S ATOM 0 H CYS A 8 -0.691 -4.931 6.567 1.00 0.00 H new ATOM 0 HA CYS A 8 0.148 -7.487 7.588 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.490 -6.053 9.111 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.700 -5.623 7.425 1.00 0.00 H new ATOM 0 HG CYS A 8 0.321 -3.264 7.519 1.00 0.00 H new ATOM 128 N ASN A 9 -2.324 -6.077 8.953 1.00 0.00 N ATOM 129 CA ASN A 9 -3.319 -6.119 10.010 1.00 0.00 C ATOM 130 C ASN A 9 -4.222 -7.318 9.813 1.00 0.00 C ATOM 131 O ASN A 9 -4.529 -8.053 10.752 1.00 0.00 O ATOM 132 CB ASN A 9 -4.164 -4.850 9.970 1.00 0.00 C ATOM 133 CG ASN A 9 -4.808 -4.529 11.303 1.00 0.00 C ATOM 134 OD1 ASN A 9 -4.202 -3.894 12.163 1.00 0.00 O ATOM 135 ND2 ASN A 9 -6.057 -4.930 11.467 1.00 0.00 N ATOM 0 H ASN A 9 -2.624 -5.572 8.119 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.813 -6.194 10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.538 -4.012 9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.941 -4.961 9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.553 -4.714 12.332 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.525 -5.455 10.729 1.00 0.00 H new ATOM 142 N GLY A 10 -4.635 -7.507 8.574 1.00 0.00 N ATOM 143 CA GLY A 10 -5.563 -8.558 8.252 1.00 0.00 C ATOM 144 C GLY A 10 -6.777 -8.017 7.531 1.00 0.00 C ATOM 145 O GLY A 10 -7.790 -8.704 7.397 1.00 0.00 O ATOM 0 H GLY A 10 -4.338 -6.942 7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.069 -9.304 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.875 -9.063 9.166 1.00 0.00 H new ATOM 149 N ALA A 11 -6.679 -6.773 7.076 1.00 0.00 N ATOM 150 CA ALA A 11 -7.762 -6.140 6.341 1.00 0.00 C ATOM 151 C ALA A 11 -7.572 -6.346 4.846 1.00 0.00 C ATOM 152 O ALA A 11 -6.489 -6.111 4.312 1.00 0.00 O ATOM 153 CB ALA A 11 -7.832 -4.658 6.676 1.00 0.00 C ATOM 0 H ALA A 11 -5.857 -6.183 7.205 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.705 -6.602 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.647 -4.197 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.008 -4.534 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.891 -4.179 6.405 1.00 0.00 H new ATOM 159 N LEU A 12 -8.627 -6.789 4.181 1.00 0.00 N ATOM 160 CA LEU A 12 -8.568 -7.112 2.761 1.00 0.00 C ATOM 161 C LEU A 12 -8.334 -5.878 1.898 1.00 0.00 C ATOM 162 O LEU A 12 -8.839 -4.790 2.187 1.00 0.00 O ATOM 163 CB LEU A 12 -9.854 -7.813 2.326 1.00 0.00 C ATOM 164 CG LEU A 12 -9.905 -9.309 2.624 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.334 -9.818 2.537 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.022 -10.066 1.645 1.00 0.00 C ATOM 0 H LEU A 12 -9.543 -6.935 4.605 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.718 -7.780 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.698 -7.330 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.985 -7.667 1.254 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.537 -9.475 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.353 -10.886 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.953 -9.290 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.722 -9.643 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.065 -11.133 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.373 -9.892 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.993 -9.717 1.738 1.00 0.00 H new ATOM 178 N LEU A 13 -7.563 -6.072 0.840 1.00 0.00 N ATOM 179 CA LEU A 13 -7.267 -5.020 -0.117 1.00 0.00 C ATOM 180 C LEU A 13 -7.964 -5.302 -1.441 1.00 0.00 C ATOM 181 O LEU A 13 -8.487 -6.399 -1.660 1.00 0.00 O ATOM 182 CB LEU A 13 -5.756 -4.923 -0.343 1.00 0.00 C ATOM 183 CG LEU A 13 -4.942 -4.477 0.871 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.456 -4.622 0.593 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.273 -3.038 1.228 1.00 0.00 C ATOM 0 H LEU A 13 -7.124 -6.966 0.621 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.631 -4.074 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.390 -5.897 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.571 -4.225 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.201 -5.114 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.889 -4.300 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.227 -5.665 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.184 -4.005 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.686 -2.734 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.037 -2.390 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.334 -2.956 1.462 1.00 0.00 H new ATOM 197 N ALA A 14 -7.957 -4.313 -2.318 1.00 0.00 N ATOM 198 CA ALA A 14 -8.549 -4.442 -3.639 1.00 0.00 C ATOM 199 C ALA A 14 -7.984 -3.376 -4.565 1.00 0.00 C ATOM 200 O ALA A 14 -7.167 -2.558 -4.142 1.00 0.00 O ATOM 201 CB ALA A 14 -10.063 -4.323 -3.552 1.00 0.00 C ATOM 0 H ALA A 14 -7.542 -3.399 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.304 -5.424 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.494 -4.421 -4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.454 -5.111 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.328 -3.351 -3.137 1.00 0.00 H new ATOM 207 N ASP A 15 -8.400 -3.393 -5.823 1.00 0.00 N ATOM 208 CA ASP A 15 -8.011 -2.342 -6.760 1.00 0.00 C ATOM 209 C ASP A 15 -8.642 -1.019 -6.339 1.00 0.00 C ATOM 210 O ASP A 15 -9.862 -0.922 -6.196 1.00 0.00 O ATOM 211 CB ASP A 15 -8.440 -2.690 -8.192 1.00 0.00 C ATOM 212 CG ASP A 15 -7.907 -1.702 -9.220 1.00 0.00 C ATOM 213 OD1 ASP A 15 -8.379 -0.545 -9.251 1.00 0.00 O ATOM 214 OD2 ASP A 15 -7.011 -2.080 -10.007 1.00 0.00 O ATOM 0 H ASP A 15 -9.002 -4.115 -6.219 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.925 -2.253 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.088 -3.691 -8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.528 -2.713 -8.246 1.00 0.00 H new ATOM 219 N GLY A 16 -7.808 -0.014 -6.119 1.00 0.00 N ATOM 220 CA GLY A 16 -8.298 1.283 -5.696 1.00 0.00 C ATOM 221 C GLY A 16 -8.206 1.455 -4.195 1.00 0.00 C ATOM 222 O GLY A 16 -8.815 2.361 -3.618 1.00 0.00 O ATOM 0 H GLY A 16 -6.795 -0.073 -6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.723 2.067 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.334 1.401 -6.013 1.00 0.00 H new ATOM 226 N ASP A 17 -7.444 0.577 -3.559 1.00 0.00 N ATOM 227 CA ASP A 17 -7.259 0.622 -2.116 1.00 0.00 C ATOM 228 C ASP A 17 -6.044 1.473 -1.772 1.00 0.00 C ATOM 229 O ASP A 17 -5.236 1.795 -2.645 1.00 0.00 O ATOM 230 CB ASP A 17 -7.070 -0.791 -1.561 1.00 0.00 C ATOM 231 CG ASP A 17 -7.865 -1.035 -0.298 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.511 -0.478 0.761 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.851 -1.791 -0.353 1.00 0.00 O ATOM 0 H ASP A 17 -6.941 -0.179 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.147 1.065 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.367 -1.517 -2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.012 -0.958 -1.357 1.00 0.00 H new ATOM 238 N ASN A 18 -5.924 1.859 -0.512 1.00 0.00 N ATOM 239 CA ASN A 18 -4.771 2.631 -0.058 1.00 0.00 C ATOM 240 C ASN A 18 -4.012 1.841 0.990 1.00 0.00 C ATOM 241 O ASN A 18 -4.613 1.108 1.776 1.00 0.00 O ATOM 242 CB ASN A 18 -5.170 3.961 0.590 1.00 0.00 C ATOM 243 CG ASN A 18 -5.913 4.948 -0.305 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.627 4.468 -1.305 1.00 0.00 O flip ATOM 245 ND2 ASN A 18 -5.831 6.154 -0.092 1.00 0.00 N flip ATOM 0 H ASN A 18 -6.608 1.652 0.216 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.166 2.831 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.795 3.746 1.457 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.267 4.446 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.272 6.497 0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.322 6.813 -0.696 1.00 0.00 H new ATOM 252 N VAL A 19 -2.709 2.027 1.022 1.00 0.00 N ATOM 253 CA VAL A 19 -1.858 1.404 2.030 1.00 0.00 C ATOM 254 C VAL A 19 -0.734 2.353 2.426 1.00 0.00 C ATOM 255 O VAL A 19 -0.567 3.414 1.821 1.00 0.00 O ATOM 256 CB VAL A 19 -1.247 0.056 1.568 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.327 -0.998 1.375 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.435 0.231 0.293 1.00 0.00 C ATOM 0 H VAL A 19 -2.205 2.611 0.355 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.501 1.192 2.884 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.575 -0.288 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.869 -1.933 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.852 -1.158 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.035 -0.659 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.018 -0.730 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.080 0.611 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.375 0.938 0.472 1.00 0.00 H new ATOM 268 N SER A 20 0.012 1.996 3.457 1.00 0.00 N ATOM 269 CA SER A 20 1.141 2.800 3.899 1.00 0.00 C ATOM 270 C SER A 20 2.204 1.935 4.577 1.00 0.00 C ATOM 271 O SER A 20 1.915 0.834 5.044 1.00 0.00 O ATOM 272 CB SER A 20 0.663 3.909 4.839 1.00 0.00 C ATOM 273 OG SER A 20 -0.201 4.806 4.164 1.00 0.00 O ATOM 0 H SER A 20 -0.144 1.151 4.007 1.00 0.00 H new ATOM 0 HA SER A 20 1.598 3.258 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.144 3.470 5.691 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.522 4.452 5.233 1.00 0.00 H new ATOM 0 HG SER A 20 -0.314 4.515 3.235 1.00 0.00 H new ATOM 279 N LEU A 21 3.433 2.440 4.601 1.00 0.00 N ATOM 280 CA LEU A 21 4.574 1.737 5.183 1.00 0.00 C ATOM 281 C LEU A 21 4.465 1.649 6.704 1.00 0.00 C ATOM 282 O LEU A 21 4.358 2.671 7.386 1.00 0.00 O ATOM 283 CB LEU A 21 5.872 2.460 4.805 1.00 0.00 C ATOM 284 CG LEU A 21 6.513 2.045 3.476 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.104 0.656 3.597 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.512 2.098 2.332 1.00 0.00 C ATOM 0 H LEU A 21 3.668 3.354 4.215 1.00 0.00 H new ATOM 0 HA LEU A 21 4.580 0.722 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.670 3.531 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.599 2.299 5.601 1.00 0.00 H new ATOM 0 HG LEU A 21 7.309 2.755 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.557 0.369 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.864 0.651 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.317 -0.053 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.002 1.797 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.684 1.420 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.132 3.114 2.228 1.00 0.00 H new ATOM 298 N ILE A 22 4.521 0.427 7.227 1.00 0.00 N ATOM 299 CA ILE A 22 4.443 0.204 8.673 1.00 0.00 C ATOM 300 C ILE A 22 5.835 0.180 9.286 1.00 0.00 C ATOM 301 O ILE A 22 5.997 0.235 10.502 1.00 0.00 O ATOM 302 CB ILE A 22 3.742 -1.126 9.016 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.584 -2.310 8.531 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.359 -1.158 8.397 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.073 -3.661 8.975 1.00 0.00 C ATOM 0 H ILE A 22 4.620 -0.425 6.674 1.00 0.00 H new ATOM 0 HA ILE A 22 3.860 1.028 9.083 1.00 0.00 H new ATOM 0 HB ILE A 22 3.637 -1.204 10.098 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.624 -2.290 7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.606 -2.185 8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.871 -2.101 8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.767 -0.330 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.443 -1.066 7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.727 -4.442 8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.060 -3.705 10.064 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.063 -3.811 8.593 1.00 0.00 H new ATOM 317 N LYS A 23 6.830 0.093 8.425 1.00 0.00 N ATOM 318 CA LYS A 23 8.215 -0.005 8.844 1.00 0.00 C ATOM 319 C LYS A 23 9.105 0.611 7.779 1.00 0.00 C ATOM 320 O LYS A 23 8.621 1.000 6.715 1.00 0.00 O ATOM 321 CB LYS A 23 8.605 -1.474 9.081 1.00 0.00 C ATOM 322 CG LYS A 23 8.048 -2.425 8.031 1.00 0.00 C ATOM 323 CD LYS A 23 8.992 -3.585 7.736 1.00 0.00 C ATOM 324 CE LYS A 23 9.129 -4.541 8.906 1.00 0.00 C ATOM 325 NZ LYS A 23 7.837 -5.196 9.241 1.00 0.00 N ATOM 0 H LYS A 23 6.701 0.088 7.413 1.00 0.00 H new ATOM 0 HA LYS A 23 8.344 0.535 9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.692 -1.556 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.250 -1.782 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.090 -2.818 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.856 -1.873 7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.628 -4.132 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.975 -3.191 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.871 -5.303 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.498 -3.999 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.009 -5.993 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.207 -4.507 9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.390 -5.547 8.370 1.00 0.00 H new ATOM 339 N ASP A 24 10.387 0.718 8.069 1.00 0.00 N ATOM 340 CA ASP A 24 11.343 1.230 7.097 1.00 0.00 C ATOM 341 C ASP A 24 11.883 0.077 6.258 1.00 0.00 C ATOM 342 O ASP A 24 12.426 -0.888 6.798 1.00 0.00 O ATOM 343 CB ASP A 24 12.507 1.945 7.792 1.00 0.00 C ATOM 344 CG ASP A 24 12.068 2.775 8.980 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.350 3.776 8.791 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.450 2.434 10.119 1.00 0.00 O ATOM 0 H ASP A 24 10.794 0.459 8.968 1.00 0.00 H new ATOM 0 HA ASP A 24 10.831 1.949 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.235 1.205 8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.012 2.589 7.072 1.00 0.00 H new ATOM 351 N LEU A 25 11.722 0.170 4.949 1.00 0.00 N ATOM 352 CA LEU A 25 12.158 -0.890 4.050 1.00 0.00 C ATOM 353 C LEU A 25 13.235 -0.384 3.105 1.00 0.00 C ATOM 354 O LEU A 25 12.993 0.503 2.287 1.00 0.00 O ATOM 355 CB LEU A 25 10.985 -1.448 3.227 1.00 0.00 C ATOM 356 CG LEU A 25 10.015 -2.380 3.966 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.750 -3.519 4.659 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.184 -1.613 4.964 1.00 0.00 C ATOM 0 H LEU A 25 11.292 0.969 4.483 1.00 0.00 H new ATOM 0 HA LEU A 25 12.563 -1.690 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.416 -0.607 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.393 -1.988 2.373 1.00 0.00 H new ATOM 0 HG LEU A 25 9.351 -2.813 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.031 -4.158 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.293 -4.106 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.453 -3.110 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.505 -2.297 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.839 -1.139 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.606 -0.848 4.445 1.00 0.00 H new ATOM 511 N LYS A 35 11.223 4.806 4.303 1.00 0.00 N ATOM 512 CA LYS A 35 10.957 4.952 5.720 1.00 0.00 C ATOM 513 C LYS A 35 9.492 4.698 6.038 1.00 0.00 C ATOM 514 O LYS A 35 8.632 4.688 5.152 1.00 0.00 O ATOM 515 CB LYS A 35 11.376 6.342 6.205 1.00 0.00 C ATOM 516 CG LYS A 35 12.884 6.518 6.338 1.00 0.00 C ATOM 517 CD LYS A 35 13.433 5.791 7.559 1.00 0.00 C ATOM 518 CE LYS A 35 12.864 6.350 8.858 1.00 0.00 C ATOM 519 NZ LYS A 35 13.298 5.560 10.042 1.00 0.00 N ATOM 0 HA LYS A 35 11.548 4.204 6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.992 7.090 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.910 6.535 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.374 6.142 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.121 7.579 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.196 4.730 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.520 5.875 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.182 7.386 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.775 6.355 8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.502 4.986 10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.085 4.935 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.611 6.206 10.795 1.00 0.00 H new ATOM 533 N ARG A 36 9.231 4.477 7.313 1.00 0.00 N ATOM 534 CA ARG A 36 7.886 4.272 7.823 1.00 0.00 C ATOM 535 C ARG A 36 7.015 5.499 7.559 1.00 0.00 C ATOM 536 O ARG A 36 7.514 6.624 7.502 1.00 0.00 O ATOM 537 CB ARG A 36 7.970 3.996 9.324 1.00 0.00 C ATOM 538 CG ARG A 36 6.660 3.565 9.954 1.00 0.00 C ATOM 539 CD ARG A 36 6.852 3.196 11.413 1.00 0.00 C ATOM 540 NE ARG A 36 5.590 2.817 12.045 1.00 0.00 N ATOM 541 CZ ARG A 36 5.317 2.993 13.337 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.235 3.489 14.157 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.129 2.649 13.809 1.00 0.00 N ATOM 0 H ARG A 36 9.953 4.434 8.032 1.00 0.00 H new ATOM 0 HA ARG A 36 7.430 3.423 7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.716 3.220 9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.323 4.896 9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.931 4.371 9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.254 2.712 9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.560 2.371 11.490 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.288 4.040 11.948 1.00 0.00 H new ATOM 0 HE ARG A 36 4.872 2.390 11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.157 3.738 13.799 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.018 3.621 15.145 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.428 2.251 13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.915 2.782 14.797 1.00 0.00 H new ATOM 557 N GLY A 37 5.720 5.279 7.372 1.00 0.00 N ATOM 558 CA GLY A 37 4.800 6.386 7.190 1.00 0.00 C ATOM 559 C GLY A 37 4.612 6.763 5.735 1.00 0.00 C ATOM 560 O GLY A 37 3.828 7.658 5.420 1.00 0.00 O ATOM 0 H GLY A 37 5.290 4.355 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.833 6.123 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.168 7.252 7.740 1.00 0.00 H new ATOM 564 N THR A 38 5.340 6.094 4.851 1.00 0.00 N ATOM 565 CA THR A 38 5.214 6.333 3.421 1.00 0.00 C ATOM 566 C THR A 38 3.853 5.861 2.918 1.00 0.00 C ATOM 567 O THR A 38 3.496 4.695 3.072 1.00 0.00 O ATOM 568 CB THR A 38 6.330 5.608 2.642 1.00 0.00 C ATOM 569 OG1 THR A 38 7.610 6.040 3.122 1.00 0.00 O ATOM 570 CG2 THR A 38 6.226 5.882 1.148 1.00 0.00 C ATOM 0 H THR A 38 6.025 5.380 5.100 1.00 0.00 H new ATOM 0 HA THR A 38 5.307 7.406 3.253 1.00 0.00 H new ATOM 0 HB THR A 38 6.216 4.536 2.801 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.746 5.709 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.026 5.358 0.625 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.262 5.532 0.780 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.316 6.953 0.967 1.00 0.00 H new ATOM 578 N MET A 39 3.092 6.771 2.331 1.00 0.00 N ATOM 579 CA MET A 39 1.768 6.448 1.839 1.00 0.00 C ATOM 580 C MET A 39 1.824 5.927 0.413 1.00 0.00 C ATOM 581 O MET A 39 2.457 6.520 -0.462 1.00 0.00 O ATOM 582 CB MET A 39 0.837 7.663 1.930 1.00 0.00 C ATOM 583 CG MET A 39 -0.326 7.618 0.946 1.00 0.00 C ATOM 584 SD MET A 39 -1.792 8.476 1.540 1.00 0.00 S ATOM 585 CE MET A 39 -2.452 7.243 2.654 1.00 0.00 C ATOM 0 H MET A 39 3.372 7.741 2.185 1.00 0.00 H new ATOM 0 HA MET A 39 1.365 5.658 2.473 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.442 7.732 2.943 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.417 8.568 1.752 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.011 8.061 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.580 6.578 0.741 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.020 7.734 3.445 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.106 6.568 2.103 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.633 6.675 3.095 1.00 0.00 H new ATOM 595 N ILE A 40 1.184 4.796 0.209 1.00 0.00 N ATOM 596 CA ILE A 40 1.002 4.236 -1.119 1.00 0.00 C ATOM 597 C ILE A 40 -0.489 4.066 -1.385 1.00 0.00 C ATOM 598 O ILE A 40 -1.089 3.061 -1.007 1.00 0.00 O ATOM 599 CB ILE A 40 1.717 2.875 -1.271 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.207 3.017 -0.947 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.524 2.318 -2.679 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.991 1.731 -1.096 1.00 0.00 C ATOM 0 H ILE A 40 0.774 4.236 0.957 1.00 0.00 H new ATOM 0 HA ILE A 40 1.443 4.921 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 40 1.274 2.173 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.641 3.774 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.314 3.380 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.036 1.359 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.460 2.180 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.938 3.016 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.037 1.912 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.585 0.977 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.917 1.377 -2.124 1.00 0.00 H new ATOM 614 N ARG A 41 -1.102 5.069 -1.987 1.00 0.00 N ATOM 615 CA ARG A 41 -2.532 5.020 -2.248 1.00 0.00 C ATOM 616 C ARG A 41 -2.809 4.797 -3.726 1.00 0.00 C ATOM 617 O ARG A 41 -2.176 5.405 -4.589 1.00 0.00 O ATOM 618 CB ARG A 41 -3.239 6.284 -1.747 1.00 0.00 C ATOM 619 CG ARG A 41 -2.567 7.587 -2.142 1.00 0.00 C ATOM 620 CD ARG A 41 -3.500 8.773 -1.938 1.00 0.00 C ATOM 621 NE ARG A 41 -3.992 8.861 -0.563 1.00 0.00 N ATOM 622 CZ ARG A 41 -5.152 9.424 -0.218 1.00 0.00 C ATOM 623 NH1 ARG A 41 -5.918 10.000 -1.135 1.00 0.00 N ATOM 624 NH2 ARG A 41 -5.540 9.427 1.050 1.00 0.00 N ATOM 0 H ARG A 41 -0.638 5.921 -2.303 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.936 4.173 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.260 6.288 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.305 6.240 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.663 7.727 -1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.260 7.538 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.975 9.694 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.346 8.689 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.412 8.468 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.622 10.015 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.803 10.428 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.952 8.998 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.427 9.858 1.311 1.00 0.00 H new ATOM 638 N GLY A 42 -3.755 3.915 -4.007 1.00 0.00 N ATOM 639 CA GLY A 42 -4.042 3.544 -5.373 1.00 0.00 C ATOM 640 C GLY A 42 -3.388 2.228 -5.724 1.00 0.00 C ATOM 641 O GLY A 42 -2.662 2.126 -6.712 1.00 0.00 O ATOM 0 H GLY A 42 -4.332 3.448 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.120 3.468 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.686 4.323 -6.048 1.00 0.00 H new ATOM 645 N ILE A 43 -3.631 1.223 -4.894 1.00 0.00 N ATOM 646 CA ILE A 43 -3.034 -0.084 -5.082 1.00 0.00 C ATOM 647 C ILE A 43 -4.069 -1.052 -5.637 1.00 0.00 C ATOM 648 O ILE A 43 -5.267 -0.773 -5.602 1.00 0.00 O ATOM 649 CB ILE A 43 -2.431 -0.633 -3.757 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.519 -1.057 -2.758 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.535 0.419 -3.120 1.00 0.00 C ATOM 652 CD1 ILE A 43 -3.881 -2.527 -2.818 1.00 0.00 C ATOM 0 H ILE A 43 -4.242 1.293 -4.080 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.217 0.017 -5.797 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.847 -1.519 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.182 -0.818 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.416 -0.466 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.117 0.027 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.726 0.671 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.120 1.313 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.655 -2.741 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.251 -2.770 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.998 -3.128 -2.602 1.00 0.00 H new ATOM 664 N ARG A 44 -3.605 -2.172 -6.158 1.00 0.00 N ATOM 665 CA ARG A 44 -4.484 -3.202 -6.683 1.00 0.00 C ATOM 666 C ARG A 44 -3.913 -4.578 -6.392 1.00 0.00 C ATOM 667 O ARG A 44 -2.737 -4.708 -6.047 1.00 0.00 O ATOM 668 CB ARG A 44 -4.670 -3.030 -8.185 1.00 0.00 C ATOM 669 CG ARG A 44 -3.363 -2.980 -8.946 1.00 0.00 C ATOM 670 CD ARG A 44 -3.593 -2.984 -10.442 1.00 0.00 C ATOM 671 NE ARG A 44 -4.373 -1.830 -10.885 1.00 0.00 N ATOM 672 CZ ARG A 44 -3.852 -0.786 -11.526 1.00 0.00 C ATOM 673 NH1 ARG A 44 -2.539 -0.698 -11.706 1.00 0.00 N ATOM 674 NH2 ARG A 44 -4.636 0.186 -11.971 1.00 0.00 N ATOM 0 H ARG A 44 -2.612 -2.394 -6.230 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.454 -3.107 -6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.274 -3.854 -8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.228 -2.112 -8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.810 -2.084 -8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.746 -3.835 -8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.632 -2.989 -10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.111 -3.900 -10.726 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.375 -1.824 -10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.925 -1.432 -11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.144 0.104 -12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.644 0.136 -11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.231 0.984 -12.461 1.00 0.00 H new ATOM 688 N LEU A 45 -4.742 -5.598 -6.544 1.00 0.00 N ATOM 689 CA LEU A 45 -4.321 -6.968 -6.297 1.00 0.00 C ATOM 690 C LEU A 45 -3.561 -7.506 -7.502 1.00 0.00 C ATOM 691 O LEU A 45 -3.797 -7.079 -8.632 1.00 0.00 O ATOM 692 CB LEU A 45 -5.535 -7.854 -6.002 1.00 0.00 C ATOM 693 CG LEU A 45 -6.458 -7.355 -4.887 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.510 -8.401 -4.555 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.661 -6.977 -3.649 1.00 0.00 C ATOM 0 H LEU A 45 -5.714 -5.503 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.662 -6.980 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.120 -7.955 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.181 -8.850 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.967 -6.460 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.156 -8.028 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.109 -8.609 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.021 -9.317 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.340 -6.626 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.116 -7.849 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.955 -6.185 -3.899 1.00 0.00 H new ATOM 707 N THR A 46 -2.642 -8.426 -7.258 1.00 0.00 N ATOM 708 CA THR A 46 -1.860 -9.024 -8.327 1.00 0.00 C ATOM 709 C THR A 46 -2.236 -10.495 -8.490 1.00 0.00 C ATOM 710 O THR A 46 -3.344 -10.898 -8.134 1.00 0.00 O ATOM 711 CB THR A 46 -0.348 -8.903 -8.040 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.020 -9.573 -6.815 1.00 0.00 O ATOM 713 CG2 THR A 46 0.073 -7.445 -7.950 1.00 0.00 C ATOM 0 H THR A 46 -2.419 -8.776 -6.326 1.00 0.00 H new ATOM 0 HA THR A 46 -2.081 -8.488 -9.250 1.00 0.00 H new ATOM 0 HB THR A 46 0.189 -9.372 -8.865 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.254 -9.000 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.142 -7.387 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.145 -6.944 -8.893 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.476 -6.957 -7.145 1.00 0.00 H new ATOM 721 N ASP A 47 -1.328 -11.290 -9.040 1.00 0.00 N ATOM 722 CA ASP A 47 -1.532 -12.731 -9.114 1.00 0.00 C ATOM 723 C ASP A 47 -1.207 -13.366 -7.769 1.00 0.00 C ATOM 724 O ASP A 47 -1.463 -14.551 -7.546 1.00 0.00 O ATOM 725 CB ASP A 47 -0.661 -13.355 -10.209 1.00 0.00 C ATOM 726 CG ASP A 47 -1.040 -12.878 -11.595 1.00 0.00 C ATOM 727 OD1 ASP A 47 -2.067 -13.343 -12.132 1.00 0.00 O ATOM 728 OD2 ASP A 47 -0.316 -12.033 -12.158 1.00 0.00 O ATOM 0 H ASP A 47 -0.448 -10.964 -9.439 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.577 -12.917 -9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.385 -13.113 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.750 -14.440 -10.165 1.00 0.00 H new ATOM 733 N SER A 48 -0.650 -12.554 -6.881 1.00 0.00 N ATOM 734 CA SER A 48 -0.252 -13.001 -5.558 1.00 0.00 C ATOM 735 C SER A 48 -1.352 -12.717 -4.539 1.00 0.00 C ATOM 736 O SER A 48 -2.236 -11.894 -4.780 1.00 0.00 O ATOM 737 CB SER A 48 1.037 -12.289 -5.145 1.00 0.00 C ATOM 738 OG SER A 48 1.449 -12.667 -3.842 1.00 0.00 O ATOM 0 H SER A 48 -0.462 -11.567 -7.060 1.00 0.00 H new ATOM 0 HA SER A 48 -0.081 -14.077 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.827 -12.523 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.885 -11.210 -5.180 1.00 0.00 H new ATOM 0 HG SER A 48 2.428 -12.681 -3.800 1.00 0.00 H new ATOM 744 N GLU A 49 -1.280 -13.395 -3.402 1.00 0.00 N ATOM 745 CA GLU A 49 -2.223 -13.178 -2.314 1.00 0.00 C ATOM 746 C GLU A 49 -1.584 -12.305 -1.246 1.00 0.00 C ATOM 747 O GLU A 49 -2.226 -11.932 -0.263 1.00 0.00 O ATOM 748 CB GLU A 49 -2.633 -14.506 -1.683 1.00 0.00 C ATOM 749 CG GLU A 49 -3.114 -15.541 -2.679 1.00 0.00 C ATOM 750 CD GLU A 49 -3.456 -16.862 -2.022 1.00 0.00 C ATOM 751 OE1 GLU A 49 -4.377 -16.892 -1.181 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.815 -17.881 -2.349 1.00 0.00 O ATOM 0 H GLU A 49 -0.573 -14.105 -3.209 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.106 -12.686 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.784 -14.913 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.424 -14.322 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.992 -15.159 -3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.343 -15.702 -3.432 1.00 0.00 H new ATOM 759 N ASP A 50 -0.307 -12.006 -1.432 1.00 0.00 N ATOM 760 CA ASP A 50 0.452 -11.250 -0.445 1.00 0.00 C ATOM 761 C ASP A 50 1.221 -10.108 -1.095 1.00 0.00 C ATOM 762 O ASP A 50 1.932 -9.362 -0.423 1.00 0.00 O ATOM 763 CB ASP A 50 1.409 -12.179 0.303 1.00 0.00 C ATOM 764 CG ASP A 50 0.691 -13.103 1.265 1.00 0.00 C ATOM 765 OD1 ASP A 50 0.229 -14.180 0.829 1.00 0.00 O ATOM 766 OD2 ASP A 50 0.575 -12.754 2.460 1.00 0.00 O ATOM 0 H ASP A 50 0.227 -12.275 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.252 -10.816 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.969 -12.775 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.135 -11.580 0.853 1.00 0.00 H new ATOM 771 N GLU A 51 1.073 -9.970 -2.403 1.00 0.00 N ATOM 772 CA GLU A 51 1.692 -8.871 -3.131 1.00 0.00 C ATOM 773 C GLU A 51 0.630 -8.037 -3.822 1.00 0.00 C ATOM 774 O GLU A 51 -0.365 -8.562 -4.323 1.00 0.00 O ATOM 775 CB GLU A 51 2.695 -9.356 -4.183 1.00 0.00 C ATOM 776 CG GLU A 51 4.067 -9.758 -3.646 1.00 0.00 C ATOM 777 CD GLU A 51 4.071 -11.069 -2.888 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.981 -12.139 -3.533 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.191 -11.044 -1.649 1.00 0.00 O ATOM 0 H GLU A 51 0.528 -10.607 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 51 2.231 -8.274 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.264 -10.210 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.830 -8.566 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.765 -9.830 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.434 -8.969 -2.989 1.00 0.00 H new ATOM 786 N ILE A 52 0.857 -6.744 -3.854 1.00 0.00 N ATOM 787 CA ILE A 52 -0.033 -5.819 -4.522 1.00 0.00 C ATOM 788 C ILE A 52 0.772 -4.861 -5.389 1.00 0.00 C ATOM 789 O ILE A 52 1.986 -4.768 -5.255 1.00 0.00 O ATOM 790 CB ILE A 52 -0.895 -5.020 -3.511 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.019 -4.373 -2.430 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.947 -5.915 -2.878 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.501 -2.997 -2.795 1.00 0.00 C ATOM 0 H ILE A 52 1.666 -6.302 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.709 -6.401 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.401 -4.224 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.595 -4.299 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.828 -5.027 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.541 -5.335 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.597 -6.317 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.458 -6.736 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.111 -2.610 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.106 -3.065 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.339 -2.325 -2.970 1.00 0.00 H new ATOM 805 N GLU A 53 0.100 -4.164 -6.278 1.00 0.00 N ATOM 806 CA GLU A 53 0.751 -3.203 -7.145 1.00 0.00 C ATOM 807 C GLU A 53 0.072 -1.855 -6.998 1.00 0.00 C ATOM 808 O GLU A 53 -1.142 -1.753 -7.138 1.00 0.00 O ATOM 809 CB GLU A 53 0.678 -3.711 -8.580 1.00 0.00 C ATOM 810 CG GLU A 53 1.377 -2.837 -9.614 1.00 0.00 C ATOM 811 CD GLU A 53 0.434 -1.885 -10.332 1.00 0.00 C ATOM 812 OE1 GLU A 53 -0.512 -2.363 -10.996 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.655 -0.658 -10.270 1.00 0.00 O ATOM 0 H GLU A 53 -0.907 -4.245 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 53 1.799 -3.083 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.114 -4.709 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.371 -3.810 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.160 -2.260 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.866 -3.476 -10.349 1.00 0.00 H new ATOM 820 N GLY A 54 0.842 -0.829 -6.691 1.00 0.00 N ATOM 821 CA GLY A 54 0.255 0.468 -6.447 1.00 0.00 C ATOM 822 C GLY A 54 1.194 1.602 -6.774 1.00 0.00 C ATOM 823 O GLY A 54 2.223 1.400 -7.412 1.00 0.00 O ATOM 0 H GLY A 54 1.858 -0.869 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.652 0.570 -7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.041 0.537 -5.400 1.00 0.00 H new ATOM 827 N ARG A 55 0.844 2.796 -6.331 1.00 0.00 N ATOM 828 CA ARG A 55 1.640 3.973 -6.614 1.00 0.00 C ATOM 829 C ARG A 55 1.829 4.806 -5.356 1.00 0.00 C ATOM 830 O ARG A 55 0.945 4.873 -4.503 1.00 0.00 O ATOM 831 CB ARG A 55 0.975 4.814 -7.700 1.00 0.00 C ATOM 832 CG ARG A 55 -0.347 5.426 -7.282 1.00 0.00 C ATOM 833 CD ARG A 55 -0.956 6.236 -8.411 1.00 0.00 C ATOM 834 NE ARG A 55 -2.221 6.861 -8.032 1.00 0.00 N ATOM 835 CZ ARG A 55 -2.801 7.837 -8.727 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.180 8.363 -9.777 1.00 0.00 N ATOM 837 NH2 ARG A 55 -3.986 8.302 -8.353 1.00 0.00 N ATOM 0 H ARG A 55 0.010 2.975 -5.772 1.00 0.00 H new ATOM 0 HA ARG A 55 2.618 3.647 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.656 5.612 -7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.813 4.191 -8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.038 4.638 -6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.196 6.065 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.252 7.008 -8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.118 5.588 -9.272 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.686 6.531 -7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.259 8.019 -10.050 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.624 9.111 -10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.452 7.912 -7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.431 9.050 -8.885 1.00 0.00 H new ATOM 918 N LYS A 60 5.192 5.310 -9.168 1.00 0.00 N ATOM 919 CA LYS A 60 3.840 4.913 -9.515 1.00 0.00 C ATOM 920 C LYS A 60 3.851 3.599 -10.293 1.00 0.00 C ATOM 921 O LYS A 60 4.474 3.497 -11.350 1.00 0.00 O ATOM 922 CB LYS A 60 3.143 5.998 -10.339 1.00 0.00 C ATOM 923 CG LYS A 60 3.913 6.393 -11.587 1.00 0.00 C ATOM 924 CD LYS A 60 2.984 6.771 -12.730 1.00 0.00 C ATOM 925 CE LYS A 60 2.123 5.590 -13.161 1.00 0.00 C ATOM 926 NZ LYS A 60 2.945 4.409 -13.550 1.00 0.00 N ATOM 0 HA LYS A 60 3.285 4.773 -8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.153 5.645 -10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.998 6.880 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.568 7.234 -11.359 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.552 5.566 -11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.343 7.597 -12.422 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.572 7.123 -13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.454 5.313 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.496 5.887 -14.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.324 3.659 -13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.624 4.686 -14.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.461 4.056 -12.719 1.00 0.00 H new ATOM 940 N GLY A 61 3.169 2.599 -9.766 1.00 0.00 N ATOM 941 CA GLY A 61 3.071 1.331 -10.457 1.00 0.00 C ATOM 942 C GLY A 61 4.189 0.380 -10.093 1.00 0.00 C ATOM 943 O GLY A 61 4.887 -0.131 -10.968 1.00 0.00 O ATOM 0 H GLY A 61 2.680 2.640 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.113 0.867 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.084 1.506 -11.533 1.00 0.00 H new ATOM 947 N LEU A 62 4.380 0.162 -8.801 1.00 0.00 N ATOM 948 CA LEU A 62 5.368 -0.794 -8.340 1.00 0.00 C ATOM 949 C LEU A 62 4.683 -1.938 -7.602 1.00 0.00 C ATOM 950 O LEU A 62 3.715 -1.728 -6.867 1.00 0.00 O ATOM 951 CB LEU A 62 6.436 -0.126 -7.455 1.00 0.00 C ATOM 952 CG LEU A 62 6.041 0.219 -6.012 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.274 0.639 -5.229 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.002 1.332 -5.963 1.00 0.00 C ATOM 0 H LEU A 62 3.865 0.633 -8.058 1.00 0.00 H new ATOM 0 HA LEU A 62 5.882 -1.197 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.304 -0.785 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.754 0.793 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 62 5.601 -0.672 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.989 0.883 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.995 -0.178 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.723 1.514 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.748 1.547 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.407 2.229 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.106 1.017 -6.498 1.00 0.00 H new ATOM 966 N VAL A 63 5.175 -3.146 -7.819 1.00 0.00 N ATOM 967 CA VAL A 63 4.605 -4.330 -7.196 1.00 0.00 C ATOM 968 C VAL A 63 5.344 -4.648 -5.905 1.00 0.00 C ATOM 969 O VAL A 63 6.539 -4.955 -5.925 1.00 0.00 O ATOM 970 CB VAL A 63 4.672 -5.557 -8.132 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.964 -6.752 -7.510 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.081 -5.231 -9.496 1.00 0.00 C ATOM 0 H VAL A 63 5.973 -3.334 -8.426 1.00 0.00 H new ATOM 0 HA VAL A 63 3.558 -4.115 -6.985 1.00 0.00 H new ATOM 0 HB VAL A 63 5.721 -5.818 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.024 -7.604 -8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.442 -7.006 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.918 -6.503 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.139 -6.110 -10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.038 -4.935 -9.380 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.641 -4.413 -9.949 1.00 0.00 H new ATOM 982 N LEU A 64 4.634 -4.579 -4.793 1.00 0.00 N ATOM 983 CA LEU A 64 5.244 -4.810 -3.486 1.00 0.00 C ATOM 984 C LEU A 64 4.454 -5.803 -2.659 1.00 0.00 C ATOM 985 O LEU A 64 3.246 -5.949 -2.822 1.00 0.00 O ATOM 986 CB LEU A 64 5.386 -3.504 -2.700 1.00 0.00 C ATOM 987 CG LEU A 64 6.581 -2.643 -3.097 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.493 -1.276 -2.439 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.875 -3.348 -2.711 1.00 0.00 C ATOM 0 H LEU A 64 3.637 -4.366 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 64 6.233 -5.226 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.476 -2.918 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.464 -3.742 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 64 6.572 -2.497 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.353 -0.675 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.577 -0.778 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.486 -1.394 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.726 -2.729 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.892 -3.513 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.935 -4.307 -3.226 1.00 0.00 H new ATOM 1001 N ARG A 65 5.156 -6.486 -1.770 1.00 0.00 N ATOM 1002 CA ARG A 65 4.520 -7.371 -0.815 1.00 0.00 C ATOM 1003 C ARG A 65 3.810 -6.548 0.242 1.00 0.00 C ATOM 1004 O ARG A 65 4.385 -5.628 0.821 1.00 0.00 O ATOM 1005 CB ARG A 65 5.548 -8.297 -0.165 1.00 0.00 C ATOM 1006 CG ARG A 65 6.927 -7.677 -0.032 1.00 0.00 C ATOM 1007 CD ARG A 65 7.883 -8.588 0.725 1.00 0.00 C ATOM 1008 NE ARG A 65 9.278 -8.176 0.572 1.00 0.00 N ATOM 1009 CZ ARG A 65 10.229 -8.378 1.487 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.936 -8.942 2.655 1.00 0.00 N ATOM 1011 NH2 ARG A 65 11.479 -8.014 1.230 1.00 0.00 N ATOM 0 H ARG A 65 6.172 -6.442 -1.692 1.00 0.00 H new ATOM 0 HA ARG A 65 3.792 -7.991 -1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.191 -8.585 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.625 -9.211 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.330 -7.470 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.848 -6.721 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.620 -8.589 1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.767 -9.611 0.367 1.00 0.00 H new ATOM 0 HE ARG A 65 9.542 -7.702 -0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.977 -9.225 2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.670 -9.092 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.711 -7.581 0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.208 -8.167 1.927 1.00 0.00 H new ATOM 1025 N THR A 66 2.568 -6.891 0.497 1.00 0.00 N ATOM 1026 CA THR A 66 1.745 -6.139 1.418 1.00 0.00 C ATOM 1027 C THR A 66 1.970 -6.615 2.856 1.00 0.00 C ATOM 1028 O THR A 66 1.122 -6.434 3.730 1.00 0.00 O ATOM 1029 CB THR A 66 0.252 -6.250 1.030 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.552 -5.429 1.884 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.230 -7.692 1.102 1.00 0.00 C ATOM 0 H THR A 66 2.102 -7.694 0.075 1.00 0.00 H new ATOM 0 HA THR A 66 2.035 -5.090 1.358 1.00 0.00 H new ATOM 0 HB THR A 66 0.152 -5.903 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.081 -5.277 2.730 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.283 -7.738 0.824 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.354 -8.305 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.106 -8.067 2.118 1.00 0.00 H new ATOM 1039 N GLU A 67 3.153 -7.171 3.110 1.00 0.00 N ATOM 1040 CA GLU A 67 3.472 -7.697 4.427 1.00 0.00 C ATOM 1041 C GLU A 67 3.947 -6.571 5.325 1.00 0.00 C ATOM 1042 O GLU A 67 3.943 -6.678 6.552 1.00 0.00 O ATOM 1043 CB GLU A 67 4.557 -8.761 4.328 1.00 0.00 C ATOM 1044 CG GLU A 67 5.819 -8.266 3.645 1.00 0.00 C ATOM 1045 CD GLU A 67 7.071 -8.869 4.235 1.00 0.00 C ATOM 1046 OE1 GLU A 67 7.525 -8.381 5.290 1.00 0.00 O ATOM 1047 OE2 GLU A 67 7.612 -9.821 3.633 1.00 0.00 O ATOM 0 H GLU A 67 3.900 -7.267 2.422 1.00 0.00 H new ATOM 0 HA GLU A 67 2.574 -8.149 4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.807 -9.110 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.167 -9.618 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.771 -8.505 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.870 -7.180 3.726 1.00 0.00 H new ATOM 1054 N PHE A 68 4.369 -5.493 4.693 1.00 0.00 N ATOM 1055 CA PHE A 68 4.877 -4.345 5.407 1.00 0.00 C ATOM 1056 C PHE A 68 4.009 -3.131 5.126 1.00 0.00 C ATOM 1057 O PHE A 68 4.401 -1.990 5.382 1.00 0.00 O ATOM 1058 CB PHE A 68 6.339 -4.096 5.021 1.00 0.00 C ATOM 1059 CG PHE A 68 6.590 -3.867 3.551 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.307 -2.647 2.959 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.134 -4.872 2.768 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.560 -2.434 1.618 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.386 -4.664 1.425 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.099 -3.445 0.850 1.00 0.00 C ATOM 0 H PHE A 68 4.368 -5.391 3.678 1.00 0.00 H new ATOM 0 HA PHE A 68 4.842 -4.537 6.479 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.700 -3.229 5.573 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.933 -4.950 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.883 -1.852 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.364 -5.829 3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.336 -1.477 1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.808 -5.457 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.296 -3.282 -0.199 1.00 0.00 H new ATOM 1074 N LEU A 69 2.808 -3.392 4.624 1.00 0.00 N ATOM 1075 CA LEU A 69 1.889 -2.327 4.275 1.00 0.00 C ATOM 1076 C LEU A 69 0.666 -2.366 5.174 1.00 0.00 C ATOM 1077 O LEU A 69 0.258 -3.425 5.652 1.00 0.00 O ATOM 1078 CB LEU A 69 1.465 -2.428 2.808 1.00 0.00 C ATOM 1079 CG LEU A 69 2.606 -2.373 1.786 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.080 -2.657 0.388 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.295 -1.017 1.822 1.00 0.00 C ATOM 0 H LEU A 69 2.452 -4.332 4.451 1.00 0.00 H new ATOM 0 HA LEU A 69 2.404 -1.377 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.921 -3.362 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.768 -1.618 2.593 1.00 0.00 H new ATOM 0 HG LEU A 69 3.336 -3.139 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.903 -2.614 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.629 -3.649 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.330 -1.911 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.102 -0.999 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.573 -0.236 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.705 -0.843 2.817 1.00 0.00 H new ATOM 1093 N LYS A 70 0.111 -1.201 5.415 1.00 0.00 N ATOM 1094 CA LYS A 70 -1.063 -1.063 6.251 1.00 0.00 C ATOM 1095 C LYS A 70 -2.199 -0.456 5.442 1.00 0.00 C ATOM 1096 O LYS A 70 -2.012 0.572 4.798 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.742 -0.159 7.439 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.290 -0.663 8.762 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.764 -1.010 8.662 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.389 -1.230 10.027 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.861 -1.411 9.938 1.00 0.00 N ATOM 0 H LYS A 70 0.460 -0.320 5.037 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.364 -2.046 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.340 -0.054 7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.145 0.835 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.729 -1.543 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.146 0.098 9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.291 -0.207 8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.885 -1.910 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.943 -2.108 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.166 -0.379 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.251 -1.559 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.290 -0.563 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.074 -2.238 9.345 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.364 -1.088 5.475 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.521 -0.580 4.755 1.00 0.00 C ATOM 1117 C LYS A 71 -4.905 0.796 5.295 1.00 0.00 C ATOM 1118 O LYS A 71 -5.296 0.932 6.454 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.705 -1.538 4.889 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.883 -1.176 3.999 1.00 0.00 C ATOM 1121 CD LYS A 71 -8.162 -1.844 4.480 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.355 -1.488 3.606 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.277 -2.121 2.264 1.00 0.00 N ATOM 0 H LYS A 71 -3.532 -1.951 5.992 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.261 -0.496 3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.374 -2.548 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.035 -1.551 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.016 -0.094 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.674 -1.480 2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.026 -2.926 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.363 -1.543 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.273 -1.803 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.410 -0.405 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.237 -2.251 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.732 -1.510 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.808 -3.046 2.343 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.809 1.807 4.446 1.00 0.00 N ATOM 1138 CA ALA A 72 -5.031 3.189 4.860 1.00 0.00 C ATOM 1139 C ALA A 72 -6.505 3.570 4.761 1.00 0.00 C ATOM 1140 O ALA A 72 -6.845 4.725 4.507 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.175 4.128 4.019 1.00 0.00 C ATOM 0 H ALA A 72 -4.577 1.698 3.459 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.738 3.283 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.347 5.157 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.122 3.878 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.443 4.021 2.968 1.00 0.00 H new