USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 16 TYR OH : rot 21:sc= 0.00122 USER MOD Set 1.2: A 80 THR OG1 : rot 58:sc= 1.18 USER MOD Single : A 9 MET CE :methyl -173:sc= -3.36 (180deg=-3.7) USER MOD Single : A 20 ASN : amide:sc= -2.61! C(o=-2.6!,f=-7.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 29 CYS SG : rot 128:sc= -2.72! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -102:sc= -0.011 (180deg=-0.683) USER MOD Single : A 36 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.186 F(o=-1.7,f=-0.19) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0755) USER MOD Single : A 49 MET CE :methyl -136:sc= -4.95! (180deg=-11.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -46:sc= 0.0306 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.596 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS :FLIP no HE2:sc= -1.52 F(o=-3.3!,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= -0.229 (180deg=-1.29) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -3.88 K(o=-3.9,f=-9!) USER MOD Single : A 75 SER OG : rot 33:sc= 0.604 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 6.117 -5.185 17.171 1.00 0.00 N ATOM 67 CA ARG A 8 7.294 -4.789 16.407 1.00 0.00 C ATOM 68 C ARG A 8 6.894 -4.197 15.059 1.00 0.00 C ATOM 69 O ARG A 8 5.969 -4.682 14.408 1.00 0.00 O ATOM 70 CB ARG A 8 8.219 -5.989 16.195 1.00 0.00 C ATOM 71 CG ARG A 8 7.593 -7.102 15.371 1.00 0.00 C ATOM 72 CD ARG A 8 8.493 -8.326 15.312 1.00 0.00 C ATOM 73 NE ARG A 8 7.731 -9.558 15.125 1.00 0.00 N ATOM 74 CZ ARG A 8 8.282 -10.767 15.106 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.591 -10.905 15.262 1.00 0.00 N ATOM 76 NH2 ARG A 8 7.522 -11.840 14.931 1.00 0.00 N ATOM 0 HA ARG A 8 7.825 -4.026 16.976 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.131 -5.652 15.702 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.511 -6.388 17.166 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.630 -7.377 15.802 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.399 -6.743 14.360 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.205 -8.213 14.495 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.072 -8.394 16.233 1.00 0.00 H new ATOM 0 HE ARG A 8 6.721 -9.486 15.002 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.178 -10.082 15.397 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.011 -11.834 15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.514 -11.737 14.811 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.945 -12.768 14.916 1.00 0.00 H new ATOM 90 N MET A 9 7.597 -3.148 14.647 1.00 0.00 N ATOM 91 CA MET A 9 7.315 -2.491 13.376 1.00 0.00 C ATOM 92 C MET A 9 7.917 -3.274 12.214 1.00 0.00 C ATOM 93 O MET A 9 8.922 -3.968 12.374 1.00 0.00 O ATOM 94 CB MET A 9 7.865 -1.063 13.383 1.00 0.00 C ATOM 95 CG MET A 9 7.449 -0.258 14.603 1.00 0.00 C ATOM 96 SD MET A 9 5.806 -0.699 15.200 1.00 0.00 S ATOM 97 CE MET A 9 4.807 0.551 14.396 1.00 0.00 C ATOM 0 H MET A 9 8.366 -2.734 15.174 1.00 0.00 H new ATOM 0 HA MET A 9 6.233 -2.456 13.246 1.00 0.00 H new ATOM 0 HB2 MET A 9 8.953 -1.101 13.337 1.00 0.00 H new ATOM 0 HB3 MET A 9 7.526 -0.547 12.485 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.175 -0.414 15.401 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.469 0.804 14.357 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.783 0.490 14.763 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.213 1.538 14.616 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.817 0.387 13.318 1.00 0.00 H new ATOM 107 N LEU A 10 7.297 -3.159 11.045 1.00 0.00 N ATOM 108 CA LEU A 10 7.772 -3.857 9.855 1.00 0.00 C ATOM 109 C LEU A 10 8.012 -2.879 8.709 1.00 0.00 C ATOM 110 O LEU A 10 7.165 -2.037 8.411 1.00 0.00 O ATOM 111 CB LEU A 10 6.761 -4.923 9.427 1.00 0.00 C ATOM 112 CG LEU A 10 6.328 -5.911 10.511 1.00 0.00 C ATOM 113 CD1 LEU A 10 5.124 -6.717 10.049 1.00 0.00 C ATOM 114 CD2 LEU A 10 7.480 -6.834 10.881 1.00 0.00 C ATOM 0 H LEU A 10 6.464 -2.589 10.895 1.00 0.00 H new ATOM 0 HA LEU A 10 8.718 -4.340 10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.872 -4.420 9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.188 -5.488 8.598 1.00 0.00 H new ATOM 0 HG LEU A 10 6.042 -5.346 11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.830 -7.415 10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.295 -6.042 9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.382 -7.273 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.154 -7.531 11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.797 -7.392 10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.315 -6.242 11.255 1.00 0.00 H new ATOM 126 N ASP A 11 9.170 -2.999 8.070 1.00 0.00 N ATOM 127 CA ASP A 11 9.521 -2.127 6.954 1.00 0.00 C ATOM 128 C ASP A 11 8.995 -2.692 5.638 1.00 0.00 C ATOM 129 O ASP A 11 9.589 -3.602 5.060 1.00 0.00 O ATOM 130 CB ASP A 11 11.038 -1.948 6.877 1.00 0.00 C ATOM 131 CG ASP A 11 11.459 -1.071 5.714 1.00 0.00 C ATOM 132 OD1 ASP A 11 10.910 -1.251 4.607 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.337 -0.205 5.911 1.00 0.00 O ATOM 0 H ASP A 11 9.882 -3.691 8.305 1.00 0.00 H new ATOM 0 HA ASP A 11 9.057 -1.155 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.397 -1.509 7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.512 -2.925 6.782 1.00 0.00 H new ATOM 138 N PHE A 12 7.878 -2.146 5.170 1.00 0.00 N ATOM 139 CA PHE A 12 7.271 -2.596 3.923 1.00 0.00 C ATOM 140 C PHE A 12 7.706 -1.713 2.757 1.00 0.00 C ATOM 141 O PHE A 12 7.407 -0.520 2.722 1.00 0.00 O ATOM 142 CB PHE A 12 5.746 -2.588 4.042 1.00 0.00 C ATOM 143 CG PHE A 12 5.197 -3.767 4.793 1.00 0.00 C ATOM 144 CD1 PHE A 12 5.013 -4.985 4.159 1.00 0.00 C ATOM 145 CD2 PHE A 12 4.864 -3.657 6.134 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.509 -6.072 4.847 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.360 -4.741 6.827 1.00 0.00 C ATOM 148 CZ PHE A 12 4.180 -5.950 6.183 1.00 0.00 C ATOM 0 H PHE A 12 7.374 -1.391 5.636 1.00 0.00 H new ATOM 0 HA PHE A 12 7.608 -3.614 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.433 -1.671 4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.312 -2.570 3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.267 -5.086 3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.000 -2.714 6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.372 -7.016 4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.107 -4.643 7.872 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.783 -6.797 6.723 1.00 0.00 H new ATOM 158 N ARG A 13 8.415 -2.310 1.804 1.00 0.00 N ATOM 159 CA ARG A 13 8.893 -1.579 0.636 1.00 0.00 C ATOM 160 C ARG A 13 7.924 -1.726 -0.533 1.00 0.00 C ATOM 161 O ARG A 13 7.899 -2.757 -1.206 1.00 0.00 O ATOM 162 CB ARG A 13 10.281 -2.078 0.229 1.00 0.00 C ATOM 163 CG ARG A 13 10.964 -1.199 -0.806 1.00 0.00 C ATOM 164 CD ARG A 13 11.908 -2.005 -1.684 1.00 0.00 C ATOM 165 NE ARG A 13 12.995 -2.604 -0.914 1.00 0.00 N ATOM 166 CZ ARG A 13 14.022 -1.913 -0.432 1.00 0.00 C ATOM 167 NH1 ARG A 13 14.101 -0.606 -0.639 1.00 0.00 N ATOM 168 NH2 ARG A 13 14.972 -2.529 0.259 1.00 0.00 N ATOM 0 H ARG A 13 8.671 -3.297 1.818 1.00 0.00 H new ATOM 0 HA ARG A 13 8.957 -0.523 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.911 -2.137 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.193 -3.090 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.211 -0.715 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.519 -0.407 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.348 -2.790 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.324 -1.359 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 13 12.964 -3.608 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.372 -0.129 -1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.891 -0.078 -0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.914 -3.534 0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.760 -1.997 0.629 1.00 0.00 H new ATOM 182 N VAL A 14 7.126 -0.690 -0.768 1.00 0.00 N ATOM 183 CA VAL A 14 6.155 -0.703 -1.856 1.00 0.00 C ATOM 184 C VAL A 14 6.774 -0.191 -3.151 1.00 0.00 C ATOM 185 O VAL A 14 7.035 1.003 -3.296 1.00 0.00 O ATOM 186 CB VAL A 14 4.920 0.152 -1.516 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.972 0.216 -2.704 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.212 -0.399 -0.288 1.00 0.00 C ATOM 0 H VAL A 14 7.133 0.170 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 14 5.844 -1.739 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 14 5.252 1.166 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.105 0.824 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.486 0.661 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.645 -0.791 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.342 0.218 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.891 -1.423 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.895 -0.387 0.561 1.00 0.00 H new ATOM 198 N GLU A 15 7.005 -1.102 -4.091 1.00 0.00 N ATOM 199 CA GLU A 15 7.594 -0.742 -5.375 1.00 0.00 C ATOM 200 C GLU A 15 6.525 -0.240 -6.342 1.00 0.00 C ATOM 201 O GLU A 15 5.747 -1.024 -6.886 1.00 0.00 O ATOM 202 CB GLU A 15 8.323 -1.942 -5.983 1.00 0.00 C ATOM 203 CG GLU A 15 9.157 -1.594 -7.204 1.00 0.00 C ATOM 204 CD GLU A 15 9.266 -2.746 -8.184 1.00 0.00 C ATOM 205 OE1 GLU A 15 8.248 -3.433 -8.409 1.00 0.00 O ATOM 206 OE2 GLU A 15 10.371 -2.960 -8.726 1.00 0.00 O ATOM 0 H GLU A 15 6.793 -2.094 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 15 8.311 0.060 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.970 -2.385 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.590 -2.700 -6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.716 -0.734 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.156 -1.298 -6.884 1.00 0.00 H new ATOM 213 N TYR A 16 6.494 1.072 -6.551 1.00 0.00 N ATOM 214 CA TYR A 16 5.520 1.679 -7.449 1.00 0.00 C ATOM 215 C TYR A 16 6.214 2.368 -8.620 1.00 0.00 C ATOM 216 O TYR A 16 7.328 2.874 -8.485 1.00 0.00 O ATOM 217 CB TYR A 16 4.655 2.687 -6.691 1.00 0.00 C ATOM 218 CG TYR A 16 3.630 3.380 -7.559 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.795 2.653 -8.399 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.495 4.763 -7.540 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.858 3.283 -9.195 1.00 0.00 C ATOM 222 CE2 TYR A 16 2.560 5.401 -8.331 1.00 0.00 C ATOM 223 CZ TYR A 16 1.744 4.657 -9.158 1.00 0.00 C ATOM 224 OH TYR A 16 0.811 5.288 -9.948 1.00 0.00 O ATOM 0 H TYR A 16 7.132 1.735 -6.111 1.00 0.00 H new ATOM 0 HA TYR A 16 4.883 0.886 -7.842 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.142 2.174 -5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.301 3.438 -6.237 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.880 1.577 -8.430 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.133 5.349 -6.895 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.218 2.703 -9.843 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.468 6.477 -8.302 1.00 0.00 H new ATOM 0 HH TYR A 16 0.111 4.650 -10.200 1.00 0.00 H new ATOM 234 N ARG A 17 5.546 2.385 -9.769 1.00 0.00 N ATOM 235 CA ARG A 17 6.098 3.011 -10.965 1.00 0.00 C ATOM 236 C ARG A 17 6.929 4.237 -10.602 1.00 0.00 C ATOM 237 O ARG A 17 8.117 4.310 -10.918 1.00 0.00 O ATOM 238 CB ARG A 17 4.973 3.409 -11.923 1.00 0.00 C ATOM 239 CG ARG A 17 4.139 2.233 -12.405 1.00 0.00 C ATOM 240 CD ARG A 17 2.736 2.669 -12.796 1.00 0.00 C ATOM 241 NE ARG A 17 2.041 1.645 -13.571 1.00 0.00 N ATOM 242 CZ ARG A 17 1.425 0.602 -13.025 1.00 0.00 C ATOM 243 NH1 ARG A 17 1.418 0.447 -11.708 1.00 0.00 N ATOM 244 NH2 ARG A 17 0.814 -0.288 -13.796 1.00 0.00 N ATOM 0 H ARG A 17 4.622 1.973 -9.897 1.00 0.00 H new ATOM 0 HA ARG A 17 6.747 2.287 -11.458 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.321 4.127 -11.426 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.405 3.916 -12.786 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.627 1.765 -13.260 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.082 1.480 -11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.163 2.895 -11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.791 3.589 -13.378 1.00 0.00 H new ATOM 0 HE ARG A 17 2.028 1.735 -14.587 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.886 1.129 -11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.944 -0.355 -11.291 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.817 -0.172 -14.809 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.342 -1.088 -13.375 1.00 0.00 H new ATOM 258 N ASP A 18 6.298 5.198 -9.937 1.00 0.00 N ATOM 259 CA ASP A 18 6.979 6.422 -9.530 1.00 0.00 C ATOM 260 C ASP A 18 8.299 6.103 -8.834 1.00 0.00 C ATOM 261 O ASP A 18 9.370 6.476 -9.312 1.00 0.00 O ATOM 262 CB ASP A 18 6.084 7.245 -8.602 1.00 0.00 C ATOM 263 CG ASP A 18 6.502 8.701 -8.537 1.00 0.00 C ATOM 264 OD1 ASP A 18 7.693 8.988 -8.778 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.637 9.553 -8.245 1.00 0.00 O ATOM 0 H ASP A 18 5.315 5.153 -9.668 1.00 0.00 H new ATOM 0 HA ASP A 18 7.193 7.005 -10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.052 7.181 -8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.113 6.817 -7.600 1.00 0.00 H new ATOM 270 N ARG A 19 8.213 5.412 -7.702 1.00 0.00 N ATOM 271 CA ARG A 19 9.400 5.046 -6.939 1.00 0.00 C ATOM 272 C ARG A 19 9.031 4.157 -5.754 1.00 0.00 C ATOM 273 O ARG A 19 7.856 4.000 -5.426 1.00 0.00 O ATOM 274 CB ARG A 19 10.121 6.301 -6.443 1.00 0.00 C ATOM 275 CG ARG A 19 9.371 7.042 -5.348 1.00 0.00 C ATOM 276 CD ARG A 19 10.260 8.068 -4.662 1.00 0.00 C ATOM 277 NE ARG A 19 11.007 7.488 -3.549 1.00 0.00 N ATOM 278 CZ ARG A 19 10.448 7.119 -2.401 1.00 0.00 C ATOM 279 NH1 ARG A 19 9.144 7.270 -2.217 1.00 0.00 N ATOM 280 NH2 ARG A 19 11.194 6.599 -1.436 1.00 0.00 N ATOM 0 H ARG A 19 7.334 5.095 -7.293 1.00 0.00 H new ATOM 0 HA ARG A 19 10.067 4.488 -7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.106 6.020 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.278 6.976 -7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.500 7.540 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.001 6.329 -4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.957 8.486 -5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.647 8.892 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 19 12.013 7.359 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.567 7.670 -2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.717 6.986 -1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.198 6.482 -1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.764 6.316 -0.555 1.00 0.00 H new ATOM 294 N ASN A 20 10.044 3.578 -5.118 1.00 0.00 N ATOM 295 CA ASN A 20 9.827 2.704 -3.971 1.00 0.00 C ATOM 296 C ASN A 20 9.778 3.509 -2.675 1.00 0.00 C ATOM 297 O ASN A 20 10.648 4.339 -2.414 1.00 0.00 O ATOM 298 CB ASN A 20 10.934 1.651 -3.888 1.00 0.00 C ATOM 299 CG ASN A 20 11.342 1.133 -5.254 1.00 0.00 C ATOM 300 OD1 ASN A 20 11.466 1.900 -6.209 1.00 0.00 O ATOM 301 ND2 ASN A 20 11.552 -0.175 -5.352 1.00 0.00 N ATOM 0 H ASN A 20 11.023 3.698 -5.377 1.00 0.00 H new ATOM 0 HA ASN A 20 8.868 2.203 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.804 2.080 -3.390 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.594 0.818 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.828 -0.582 -6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.437 -0.773 -4.533 1.00 0.00 H new ATOM 308 N VAL A 21 8.754 3.256 -1.866 1.00 0.00 N ATOM 309 CA VAL A 21 8.591 3.955 -0.597 1.00 0.00 C ATOM 310 C VAL A 21 8.603 2.978 0.573 1.00 0.00 C ATOM 311 O VAL A 21 8.079 1.869 0.475 1.00 0.00 O ATOM 312 CB VAL A 21 7.280 4.762 -0.565 1.00 0.00 C ATOM 313 CG1 VAL A 21 6.083 3.844 -0.758 1.00 0.00 C ATOM 314 CG2 VAL A 21 7.164 5.536 0.739 1.00 0.00 C ATOM 0 H VAL A 21 8.025 2.572 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 21 9.433 4.641 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 21 7.294 5.478 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.166 4.432 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.163 3.339 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.061 3.102 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.232 6.101 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.172 4.840 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.005 6.223 0.830 1.00 0.00 H new ATOM 324 N ASP A 22 9.205 3.399 1.681 1.00 0.00 N ATOM 325 CA ASP A 22 9.284 2.562 2.872 1.00 0.00 C ATOM 326 C ASP A 22 8.117 2.844 3.813 1.00 0.00 C ATOM 327 O ASP A 22 7.784 3.999 4.077 1.00 0.00 O ATOM 328 CB ASP A 22 10.609 2.796 3.599 1.00 0.00 C ATOM 329 CG ASP A 22 10.573 2.321 5.038 1.00 0.00 C ATOM 330 OD1 ASP A 22 9.774 1.410 5.342 1.00 0.00 O ATOM 331 OD2 ASP A 22 11.344 2.859 5.860 1.00 0.00 O ATOM 0 H ASP A 22 9.645 4.314 1.778 1.00 0.00 H new ATOM 0 HA ASP A 22 9.230 1.520 2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.407 2.277 3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.849 3.859 3.576 1.00 0.00 H new ATOM 336 N VAL A 23 7.498 1.780 4.316 1.00 0.00 N ATOM 337 CA VAL A 23 6.368 1.913 5.227 1.00 0.00 C ATOM 338 C VAL A 23 6.646 1.214 6.553 1.00 0.00 C ATOM 339 O VAL A 23 7.205 0.118 6.584 1.00 0.00 O ATOM 340 CB VAL A 23 5.081 1.332 4.613 1.00 0.00 C ATOM 341 CG1 VAL A 23 3.931 1.413 5.607 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.733 2.056 3.322 1.00 0.00 C ATOM 0 H VAL A 23 7.761 0.817 4.108 1.00 0.00 H new ATOM 0 HA VAL A 23 6.228 2.979 5.404 1.00 0.00 H new ATOM 0 HB VAL A 23 5.253 0.282 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.030 0.998 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.183 0.845 6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.755 2.455 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.821 1.632 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.580 3.115 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.549 1.940 2.609 1.00 0.00 H new ATOM 352 N VAL A 24 6.252 1.856 7.649 1.00 0.00 N ATOM 353 CA VAL A 24 6.457 1.296 8.979 1.00 0.00 C ATOM 354 C VAL A 24 5.141 1.191 9.740 1.00 0.00 C ATOM 355 O VAL A 24 4.469 2.195 9.982 1.00 0.00 O ATOM 356 CB VAL A 24 7.446 2.145 9.799 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.277 1.874 11.287 1.00 0.00 C ATOM 358 CG2 VAL A 24 8.876 1.871 9.359 1.00 0.00 C ATOM 0 H VAL A 24 5.789 2.765 7.641 1.00 0.00 H new ATOM 0 HA VAL A 24 6.874 0.298 8.842 1.00 0.00 H new ATOM 0 HB VAL A 24 7.230 3.198 9.618 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.984 2.483 11.850 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.260 2.125 11.589 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.465 0.819 11.488 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.561 2.480 9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.107 0.816 9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.986 2.121 8.304 1.00 0.00 H new ATOM 368 N LEU A 25 4.777 -0.030 10.117 1.00 0.00 N ATOM 369 CA LEU A 25 3.540 -0.267 10.853 1.00 0.00 C ATOM 370 C LEU A 25 3.641 -1.535 11.695 1.00 0.00 C ATOM 371 O LEU A 25 4.052 -2.586 11.203 1.00 0.00 O ATOM 372 CB LEU A 25 2.361 -0.377 9.884 1.00 0.00 C ATOM 373 CG LEU A 25 2.125 -1.757 9.268 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.783 -1.800 8.555 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.252 -2.113 8.310 1.00 0.00 C ATOM 0 H LEU A 25 5.321 -0.871 9.925 1.00 0.00 H new ATOM 0 HA LEU A 25 3.376 0.578 11.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.455 -0.076 10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.513 0.338 9.076 1.00 0.00 H new ATOM 0 HG LEU A 25 2.111 -2.495 10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.632 -2.789 8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.015 -1.590 9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.768 -1.052 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.068 -3.098 7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.298 -1.372 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.199 -2.124 8.850 1.00 0.00 H new ATOM 387 N GLU A 26 3.263 -1.428 12.964 1.00 0.00 N ATOM 388 CA GLU A 26 3.310 -2.567 13.874 1.00 0.00 C ATOM 389 C GLU A 26 2.530 -3.749 13.306 1.00 0.00 C ATOM 390 O GLU A 26 1.738 -3.595 12.376 1.00 0.00 O ATOM 391 CB GLU A 26 2.746 -2.179 15.242 1.00 0.00 C ATOM 392 CG GLU A 26 1.247 -1.935 15.235 1.00 0.00 C ATOM 393 CD GLU A 26 0.893 -0.483 14.977 1.00 0.00 C ATOM 394 OE1 GLU A 26 1.470 0.111 14.042 1.00 0.00 O ATOM 395 OE2 GLU A 26 0.038 0.058 15.709 1.00 0.00 O ATOM 0 H GLU A 26 2.921 -0.565 13.386 1.00 0.00 H new ATOM 0 HA GLU A 26 4.352 -2.864 13.990 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.974 -2.970 15.957 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.251 -1.278 15.591 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.785 -2.559 14.470 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.828 -2.242 16.193 1.00 0.00 H new ATOM 402 N ASP A 27 2.760 -4.929 13.872 1.00 0.00 N ATOM 403 CA ASP A 27 2.079 -6.138 13.424 1.00 0.00 C ATOM 404 C ASP A 27 0.635 -6.161 13.914 1.00 0.00 C ATOM 405 O ASP A 27 -0.166 -6.992 13.483 1.00 0.00 O ATOM 406 CB ASP A 27 2.820 -7.380 13.921 1.00 0.00 C ATOM 407 CG ASP A 27 2.870 -7.458 15.434 1.00 0.00 C ATOM 408 OD1 ASP A 27 2.855 -6.391 16.084 1.00 0.00 O ATOM 409 OD2 ASP A 27 2.922 -8.585 15.969 1.00 0.00 O ATOM 0 H ASP A 27 3.413 -5.074 14.642 1.00 0.00 H new ATOM 0 HA ASP A 27 2.074 -6.140 12.334 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.331 -8.272 13.530 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.836 -7.375 13.527 1.00 0.00 H new ATOM 414 N THR A 28 0.307 -5.245 14.820 1.00 0.00 N ATOM 415 CA THR A 28 -1.039 -5.162 15.370 1.00 0.00 C ATOM 416 C THR A 28 -1.982 -4.441 14.413 1.00 0.00 C ATOM 417 O THR A 28 -3.203 -4.513 14.557 1.00 0.00 O ATOM 418 CB THR A 28 -1.047 -4.433 16.727 1.00 0.00 C ATOM 419 OG1 THR A 28 -1.221 -3.025 16.526 1.00 0.00 O ATOM 420 CG2 THR A 28 0.247 -4.686 17.485 1.00 0.00 C ATOM 0 H THR A 28 0.956 -4.550 15.188 1.00 0.00 H new ATOM 0 HA THR A 28 -1.385 -6.186 15.513 1.00 0.00 H new ATOM 0 HB THR A 28 -1.877 -4.821 17.318 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.227 -2.569 17.393 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.218 -4.161 18.440 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.362 -5.755 17.662 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.090 -4.323 16.897 1.00 0.00 H new ATOM 428 N CYS A 29 -1.408 -3.746 13.437 1.00 0.00 N ATOM 429 CA CYS A 29 -2.197 -3.011 12.455 1.00 0.00 C ATOM 430 C CYS A 29 -2.839 -3.963 11.451 1.00 0.00 C ATOM 431 O CYS A 29 -2.331 -5.058 11.204 1.00 0.00 O ATOM 432 CB CYS A 29 -1.321 -1.994 11.724 1.00 0.00 C ATOM 433 SG CYS A 29 -0.958 -0.506 12.685 1.00 0.00 S ATOM 0 H CYS A 29 -0.399 -3.676 13.305 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.989 -2.482 12.984 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.382 -2.472 11.447 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.816 -1.703 10.798 1.00 0.00 H new ATOM 0 HG CYS A 29 0.326 -0.307 12.708 1.00 0.00 H new ATOM 439 N THR A 30 -3.960 -3.540 10.875 1.00 0.00 N ATOM 440 CA THR A 30 -4.673 -4.355 9.900 1.00 0.00 C ATOM 441 C THR A 30 -4.040 -4.238 8.518 1.00 0.00 C ATOM 442 O THR A 30 -3.645 -3.152 8.095 1.00 0.00 O ATOM 443 CB THR A 30 -6.157 -3.952 9.808 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.611 -3.466 11.076 1.00 0.00 O ATOM 445 CG2 THR A 30 -7.013 -5.133 9.376 1.00 0.00 C ATOM 0 H THR A 30 -4.394 -2.637 11.067 1.00 0.00 H new ATOM 0 HA THR A 30 -4.605 -5.388 10.242 1.00 0.00 H new ATOM 0 HB THR A 30 -6.251 -3.163 9.061 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.555 -3.210 11.009 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.057 -4.824 9.318 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.683 -5.483 8.398 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.913 -5.940 10.102 1.00 0.00 H new ATOM 453 N VAL A 31 -3.948 -5.364 7.817 1.00 0.00 N ATOM 454 CA VAL A 31 -3.365 -5.387 6.481 1.00 0.00 C ATOM 455 C VAL A 31 -3.938 -4.274 5.612 1.00 0.00 C ATOM 456 O VAL A 31 -3.273 -3.776 4.704 1.00 0.00 O ATOM 457 CB VAL A 31 -3.606 -6.741 5.787 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.879 -7.856 6.523 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.096 -7.034 5.695 1.00 0.00 C ATOM 0 H VAL A 31 -4.270 -6.272 8.152 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.292 -5.234 6.601 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.206 -6.687 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.061 -8.805 6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.809 -7.649 6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.245 -7.915 7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.248 -7.994 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.522 -7.069 6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.586 -6.249 5.119 1.00 0.00 H new ATOM 469 N GLY A 32 -5.177 -3.886 5.897 1.00 0.00 N ATOM 470 CA GLY A 32 -5.819 -2.833 5.132 1.00 0.00 C ATOM 471 C GLY A 32 -5.132 -1.493 5.300 1.00 0.00 C ATOM 472 O GLY A 32 -5.110 -0.679 4.377 1.00 0.00 O ATOM 0 H GLY A 32 -5.748 -4.282 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.823 -3.106 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.860 -2.746 5.443 1.00 0.00 H new ATOM 476 N GLU A 33 -4.570 -1.261 6.483 1.00 0.00 N ATOM 477 CA GLU A 33 -3.881 -0.009 6.768 1.00 0.00 C ATOM 478 C GLU A 33 -2.863 0.314 5.678 1.00 0.00 C ATOM 479 O GLU A 33 -2.939 1.361 5.034 1.00 0.00 O ATOM 480 CB GLU A 33 -3.181 -0.084 8.127 1.00 0.00 C ATOM 481 CG GLU A 33 -4.056 0.358 9.288 1.00 0.00 C ATOM 482 CD GLU A 33 -4.090 1.865 9.452 1.00 0.00 C ATOM 483 OE1 GLU A 33 -4.001 2.576 8.429 1.00 0.00 O ATOM 484 OE2 GLU A 33 -4.205 2.334 10.604 1.00 0.00 O ATOM 0 H GLU A 33 -4.579 -1.924 7.258 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.625 0.787 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.852 -1.109 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.286 0.538 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.070 -0.010 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.688 -0.096 10.208 1.00 0.00 H new ATOM 491 N ILE A 34 -1.913 -0.593 5.477 1.00 0.00 N ATOM 492 CA ILE A 34 -0.881 -0.405 4.464 1.00 0.00 C ATOM 493 C ILE A 34 -1.434 0.323 3.244 1.00 0.00 C ATOM 494 O ILE A 34 -0.800 1.234 2.710 1.00 0.00 O ATOM 495 CB ILE A 34 -0.281 -1.751 4.016 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.207 -2.546 5.229 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.857 -1.523 3.033 1.00 0.00 C ATOM 498 CD1 ILE A 34 0.936 -3.820 4.863 1.00 0.00 C ATOM 0 H ILE A 34 -1.836 -1.464 6.001 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.097 0.200 4.920 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.058 -2.329 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.869 -1.916 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.648 -2.794 5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.270 -2.484 2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.481 -0.993 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.636 -0.928 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.253 -4.332 5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.271 -4.469 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.810 -3.578 4.259 1.00 0.00 H new ATOM 510 N LYS A 35 -2.622 -0.082 2.808 1.00 0.00 N ATOM 511 CA LYS A 35 -3.264 0.534 1.653 1.00 0.00 C ATOM 512 C LYS A 35 -3.468 2.029 1.876 1.00 0.00 C ATOM 513 O LYS A 35 -2.946 2.854 1.126 1.00 0.00 O ATOM 514 CB LYS A 35 -4.609 -0.139 1.372 1.00 0.00 C ATOM 515 CG LYS A 35 -4.507 -1.640 1.167 1.00 0.00 C ATOM 516 CD LYS A 35 -5.830 -2.231 0.706 1.00 0.00 C ATOM 517 CE LYS A 35 -5.937 -2.241 -0.811 1.00 0.00 C ATOM 518 NZ LYS A 35 -7.348 -2.110 -1.268 1.00 0.00 N ATOM 0 H LYS A 35 -3.160 -0.835 3.238 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.610 0.399 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.286 0.061 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.052 0.311 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.734 -1.856 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.200 -2.115 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.927 -3.248 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.654 -1.654 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.345 -1.424 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.514 -3.168 -1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.708 -3.042 -1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.931 -1.738 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.392 -1.458 -2.077 1.00 0.00 H new ATOM 532 N GLN A 36 -4.228 2.370 2.911 1.00 0.00 N ATOM 533 CA GLN A 36 -4.499 3.766 3.232 1.00 0.00 C ATOM 534 C GLN A 36 -3.206 4.517 3.534 1.00 0.00 C ATOM 535 O GLN A 36 -3.111 5.723 3.308 1.00 0.00 O ATOM 536 CB GLN A 36 -5.448 3.861 4.428 1.00 0.00 C ATOM 537 CG GLN A 36 -5.993 5.261 4.663 1.00 0.00 C ATOM 538 CD GLN A 36 -7.265 5.530 3.884 1.00 0.00 C ATOM 539 OE1 GLN A 36 -8.360 5.166 4.316 1.00 0.00 O ATOM 540 NE2 GLN A 36 -7.129 6.171 2.729 1.00 0.00 N ATOM 0 H GLN A 36 -4.667 1.699 3.542 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.971 4.227 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.282 3.176 4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.924 3.529 5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.187 5.397 5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.237 5.993 4.381 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.203 6.454 2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.951 6.380 2.162 1.00 0.00 H new ATOM 549 N ILE A 37 -2.214 3.795 4.044 1.00 0.00 N ATOM 550 CA ILE A 37 -0.927 4.393 4.375 1.00 0.00 C ATOM 551 C ILE A 37 -0.242 4.947 3.130 1.00 0.00 C ATOM 552 O ILE A 37 0.267 6.069 3.135 1.00 0.00 O ATOM 553 CB ILE A 37 0.010 3.375 5.052 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.603 2.879 6.363 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.376 3.996 5.301 1.00 0.00 C ATOM 556 CD1 ILE A 37 0.009 1.591 6.868 1.00 0.00 C ATOM 0 H ILE A 37 -2.277 2.795 4.237 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.128 5.208 5.070 1.00 0.00 H new ATOM 0 HB ILE A 37 0.137 2.521 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.485 3.650 7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.674 2.732 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.027 3.264 5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.814 4.305 4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.268 4.865 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.474 1.300 7.800 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.132 0.806 6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.075 1.738 7.043 1.00 0.00 H new ATOM 568 N LEU A 38 -0.233 4.154 2.064 1.00 0.00 N ATOM 569 CA LEU A 38 0.388 4.566 0.810 1.00 0.00 C ATOM 570 C LEU A 38 -0.231 5.862 0.295 1.00 0.00 C ATOM 571 O LEU A 38 0.386 6.588 -0.484 1.00 0.00 O ATOM 572 CB LEU A 38 0.239 3.464 -0.241 1.00 0.00 C ATOM 573 CG LEU A 38 1.078 2.205 -0.017 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.554 1.057 -0.866 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.542 2.478 -0.330 1.00 0.00 C ATOM 0 H LEU A 38 -0.648 3.223 2.043 1.00 0.00 H new ATOM 0 HA LEU A 38 1.447 4.741 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.811 3.173 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.498 3.881 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 38 0.999 1.919 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.163 0.170 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.480 0.846 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.603 1.332 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.124 1.572 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.640 2.788 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.912 3.270 0.321 1.00 0.00 H new ATOM 587 N GLU A 39 -1.451 6.146 0.739 1.00 0.00 N ATOM 588 CA GLU A 39 -2.152 7.356 0.324 1.00 0.00 C ATOM 589 C GLU A 39 -1.654 8.568 1.106 1.00 0.00 C ATOM 590 O GLU A 39 -1.914 9.711 0.732 1.00 0.00 O ATOM 591 CB GLU A 39 -3.660 7.192 0.521 1.00 0.00 C ATOM 592 CG GLU A 39 -4.473 8.364 -0.001 1.00 0.00 C ATOM 593 CD GLU A 39 -5.949 8.244 0.329 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.508 7.141 0.149 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.544 9.250 0.766 1.00 0.00 O ATOM 0 H GLU A 39 -1.974 5.556 1.385 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.947 7.519 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.987 6.282 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.867 7.062 1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.084 9.289 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.351 8.433 -1.082 1.00 0.00 H new ATOM 602 N ASN A 40 -0.938 8.309 2.195 1.00 0.00 N ATOM 603 CA ASN A 40 -0.405 9.378 3.032 1.00 0.00 C ATOM 604 C ASN A 40 1.037 9.701 2.649 1.00 0.00 C ATOM 605 O ASN A 40 1.624 10.655 3.156 1.00 0.00 O ATOM 606 CB ASN A 40 -0.476 8.982 4.508 1.00 0.00 C ATOM 607 CG ASN A 40 -1.903 8.835 4.999 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.776 9.629 4.650 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.146 7.816 5.815 1.00 0.00 N ATOM 0 H ASN A 40 -0.713 7.368 2.519 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.013 10.268 2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.055 8.041 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.036 9.734 5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.087 7.667 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.391 7.182 6.078 1.00 0.00 H new ATOM 616 N GLU A 41 1.599 8.898 1.751 1.00 0.00 N ATOM 617 CA GLU A 41 2.971 9.099 1.301 1.00 0.00 C ATOM 618 C GLU A 41 3.022 9.318 -0.208 1.00 0.00 C ATOM 619 O GLU A 41 3.827 10.106 -0.706 1.00 0.00 O ATOM 620 CB GLU A 41 3.837 7.896 1.682 1.00 0.00 C ATOM 621 CG GLU A 41 3.905 7.645 3.179 1.00 0.00 C ATOM 622 CD GLU A 41 4.707 8.702 3.913 1.00 0.00 C ATOM 623 OE1 GLU A 41 5.953 8.622 3.889 1.00 0.00 O ATOM 624 OE2 GLU A 41 4.089 9.608 4.511 1.00 0.00 O ATOM 0 H GLU A 41 1.126 8.103 1.321 1.00 0.00 H new ATOM 0 HA GLU A 41 3.361 9.990 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.444 7.006 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.847 8.051 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.894 7.615 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.350 6.666 3.359 1.00 0.00 H new ATOM 631 N LEU A 42 2.158 8.615 -0.932 1.00 0.00 N ATOM 632 CA LEU A 42 2.103 8.731 -2.385 1.00 0.00 C ATOM 633 C LEU A 42 0.867 9.510 -2.823 1.00 0.00 C ATOM 634 O LEU A 42 0.692 9.800 -4.006 1.00 0.00 O ATOM 635 CB LEU A 42 2.100 7.343 -3.028 1.00 0.00 C ATOM 636 CG LEU A 42 3.245 6.414 -2.623 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.858 4.961 -2.851 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.510 6.759 -3.395 1.00 0.00 C ATOM 0 H LEU A 42 1.485 7.958 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 42 2.988 9.275 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.157 6.853 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.124 7.466 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 42 3.443 6.554 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.685 4.314 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.979 4.721 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.633 4.806 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.314 6.088 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.326 6.648 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.797 7.788 -3.181 1.00 0.00 H new ATOM 650 N GLN A 43 0.014 9.846 -1.861 1.00 0.00 N ATOM 651 CA GLN A 43 -1.205 10.593 -2.148 1.00 0.00 C ATOM 652 C GLN A 43 -2.079 9.844 -3.149 1.00 0.00 C ATOM 653 O GLN A 43 -2.798 10.457 -3.939 1.00 0.00 O ATOM 654 CB GLN A 43 -0.863 11.981 -2.690 1.00 0.00 C ATOM 655 CG GLN A 43 -0.445 12.969 -1.613 1.00 0.00 C ATOM 656 CD GLN A 43 1.048 12.951 -1.351 1.00 0.00 C ATOM 657 OE1 GLN A 43 1.514 11.923 -0.651 1.00 0.00 O flip ATOM 658 NE2 GLN A 43 1.775 13.850 -1.773 1.00 0.00 N flip ATOM 0 H GLN A 43 0.144 9.613 -0.877 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.762 10.702 -1.217 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.058 11.889 -3.419 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.729 12.378 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.745 13.974 -1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.975 12.739 -0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.375 14.621 -2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.778 13.824 -1.589 1.00 0.00 H new ATOM 667 N ILE A 44 -2.011 8.518 -3.110 1.00 0.00 N ATOM 668 CA ILE A 44 -2.797 7.686 -4.014 1.00 0.00 C ATOM 669 C ILE A 44 -3.987 7.063 -3.292 1.00 0.00 C ATOM 670 O ILE A 44 -3.875 6.569 -2.170 1.00 0.00 O ATOM 671 CB ILE A 44 -1.942 6.566 -4.634 1.00 0.00 C ATOM 672 CG1 ILE A 44 -0.618 7.131 -5.151 1.00 0.00 C ATOM 673 CG2 ILE A 44 -2.704 5.877 -5.756 1.00 0.00 C ATOM 674 CD1 ILE A 44 0.300 6.082 -5.739 1.00 0.00 C ATOM 0 H ILE A 44 -1.420 7.996 -2.463 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.159 8.338 -4.809 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.723 5.828 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.826 7.886 -5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.103 7.635 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.086 5.088 -6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.623 5.444 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.950 6.605 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.219 6.555 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.539 5.339 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.195 5.594 -6.579 1.00 0.00 H new ATOM 686 N PRO A 45 -5.155 7.083 -3.951 1.00 0.00 N ATOM 687 CA PRO A 45 -6.389 6.522 -3.393 1.00 0.00 C ATOM 688 C PRO A 45 -6.348 4.999 -3.313 1.00 0.00 C ATOM 689 O PRO A 45 -6.052 4.324 -4.298 1.00 0.00 O ATOM 690 CB PRO A 45 -7.465 6.977 -4.381 1.00 0.00 C ATOM 691 CG PRO A 45 -6.738 7.180 -5.666 1.00 0.00 C ATOM 692 CD PRO A 45 -5.362 7.656 -5.292 1.00 0.00 C ATOM 0 HA PRO A 45 -6.563 6.856 -2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.250 6.228 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.945 7.897 -4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.688 6.253 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.248 7.913 -6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.610 7.306 -5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.304 8.744 -5.277 1.00 0.00 H new ATOM 700 N VAL A 46 -6.648 4.465 -2.133 1.00 0.00 N ATOM 701 CA VAL A 46 -6.648 3.022 -1.925 1.00 0.00 C ATOM 702 C VAL A 46 -7.527 2.318 -2.953 1.00 0.00 C ATOM 703 O VAL A 46 -7.380 1.120 -3.195 1.00 0.00 O ATOM 704 CB VAL A 46 -7.139 2.658 -0.511 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.165 1.149 -0.327 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.262 3.317 0.542 1.00 0.00 C ATOM 0 H VAL A 46 -6.894 5.010 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.618 2.686 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.156 3.032 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.514 0.911 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.838 0.705 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.161 0.748 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.623 3.050 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.234 2.975 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.300 4.400 0.422 1.00 0.00 H new ATOM 716 N SER A 47 -8.442 3.071 -3.556 1.00 0.00 N ATOM 717 CA SER A 47 -9.348 2.519 -4.556 1.00 0.00 C ATOM 718 C SER A 47 -8.601 2.197 -5.847 1.00 0.00 C ATOM 719 O SER A 47 -8.823 1.154 -6.463 1.00 0.00 O ATOM 720 CB SER A 47 -10.484 3.503 -4.844 1.00 0.00 C ATOM 721 OG SER A 47 -11.481 2.906 -5.655 1.00 0.00 O ATOM 0 H SER A 47 -8.575 4.065 -3.369 1.00 0.00 H new ATOM 0 HA SER A 47 -9.768 1.595 -4.159 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.926 3.838 -3.906 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.086 4.387 -5.342 1.00 0.00 H new ATOM 0 HG SER A 47 -12.197 3.554 -5.824 1.00 0.00 H new ATOM 727 N LYS A 48 -7.713 3.099 -6.250 1.00 0.00 N ATOM 728 CA LYS A 48 -6.931 2.913 -7.467 1.00 0.00 C ATOM 729 C LYS A 48 -5.729 2.010 -7.207 1.00 0.00 C ATOM 730 O LYS A 48 -5.089 1.529 -8.142 1.00 0.00 O ATOM 731 CB LYS A 48 -6.459 4.265 -8.006 1.00 0.00 C ATOM 732 CG LYS A 48 -7.589 5.251 -8.249 1.00 0.00 C ATOM 733 CD LYS A 48 -8.170 5.100 -9.645 1.00 0.00 C ATOM 734 CE LYS A 48 -9.536 5.761 -9.754 1.00 0.00 C ATOM 735 NZ LYS A 48 -10.350 5.173 -10.854 1.00 0.00 N ATOM 0 H LYS A 48 -7.517 3.967 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.569 2.435 -8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.753 4.702 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.919 4.106 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.374 5.096 -7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.221 6.268 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.491 5.543 -10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.256 4.042 -9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.069 5.652 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.410 6.830 -9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.317 5.552 -10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.923 5.417 -11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.379 4.139 -10.750 1.00 0.00 H new ATOM 749 N MET A 49 -5.429 1.783 -5.933 1.00 0.00 N ATOM 750 CA MET A 49 -4.305 0.935 -5.552 1.00 0.00 C ATOM 751 C MET A 49 -4.762 -0.502 -5.322 1.00 0.00 C ATOM 752 O MET A 49 -5.837 -0.742 -4.769 1.00 0.00 O ATOM 753 CB MET A 49 -3.635 1.478 -4.288 1.00 0.00 C ATOM 754 CG MET A 49 -2.919 2.802 -4.501 1.00 0.00 C ATOM 755 SD MET A 49 -1.500 3.008 -3.408 1.00 0.00 S ATOM 756 CE MET A 49 -2.210 4.033 -2.122 1.00 0.00 C ATOM 0 H MET A 49 -5.948 2.174 -5.147 1.00 0.00 H new ATOM 0 HA MET A 49 -3.583 0.942 -6.369 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.390 1.603 -3.512 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.919 0.742 -3.921 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.587 2.869 -5.537 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.620 3.620 -4.338 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.513 4.831 -1.867 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.145 4.467 -2.477 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.405 3.425 -1.238 1.00 0.00 H new ATOM 766 N LEU A 50 -3.941 -1.455 -5.749 1.00 0.00 N ATOM 767 CA LEU A 50 -4.261 -2.869 -5.589 1.00 0.00 C ATOM 768 C LEU A 50 -3.166 -3.591 -4.810 1.00 0.00 C ATOM 769 O LEU A 50 -2.116 -3.926 -5.360 1.00 0.00 O ATOM 770 CB LEU A 50 -4.448 -3.527 -6.957 1.00 0.00 C ATOM 771 CG LEU A 50 -5.431 -2.839 -7.905 1.00 0.00 C ATOM 772 CD1 LEU A 50 -5.220 -3.317 -9.333 1.00 0.00 C ATOM 773 CD2 LEU A 50 -6.865 -3.092 -7.461 1.00 0.00 C ATOM 0 H LEU A 50 -3.049 -1.274 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.191 -2.944 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.476 -3.579 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.782 -4.553 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.246 -1.765 -7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.929 -2.816 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.203 -3.083 -9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.377 -4.395 -9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.551 -2.595 -8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.063 -4.164 -7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.009 -2.698 -6.455 1.00 0.00 H new ATOM 785 N LEU A 51 -3.418 -3.828 -3.528 1.00 0.00 N ATOM 786 CA LEU A 51 -2.455 -4.513 -2.673 1.00 0.00 C ATOM 787 C LEU A 51 -2.200 -5.933 -3.168 1.00 0.00 C ATOM 788 O LEU A 51 -3.126 -6.735 -3.293 1.00 0.00 O ATOM 789 CB LEU A 51 -2.958 -4.547 -1.229 1.00 0.00 C ATOM 790 CG LEU A 51 -1.882 -4.546 -0.142 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.817 -5.588 -0.445 1.00 0.00 C ATOM 792 CD2 LEU A 51 -1.257 -3.165 -0.012 1.00 0.00 C ATOM 0 H LEU A 51 -4.281 -3.556 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.516 -3.961 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.606 -3.685 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.574 -5.437 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.352 -4.801 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.060 -5.573 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.276 -6.576 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.351 -5.363 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.494 -3.183 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.802 -2.881 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.027 -2.440 0.252 1.00 0.00 H new ATOM 804 N LYS A 52 -0.937 -6.239 -3.448 1.00 0.00 N ATOM 805 CA LYS A 52 -0.558 -7.563 -3.926 1.00 0.00 C ATOM 806 C LYS A 52 0.845 -7.931 -3.454 1.00 0.00 C ATOM 807 O LYS A 52 1.507 -7.148 -2.774 1.00 0.00 O ATOM 808 CB LYS A 52 -0.623 -7.614 -5.454 1.00 0.00 C ATOM 809 CG LYS A 52 -2.038 -7.565 -6.005 1.00 0.00 C ATOM 810 CD LYS A 52 -2.068 -7.869 -7.493 1.00 0.00 C ATOM 811 CE LYS A 52 -3.299 -7.275 -8.159 1.00 0.00 C ATOM 812 NZ LYS A 52 -4.495 -8.147 -7.995 1.00 0.00 N ATOM 0 H LYS A 52 -0.158 -5.587 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.262 -8.286 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.054 -6.778 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.139 -8.527 -5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.661 -8.284 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.465 -6.578 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.170 -7.470 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.056 -8.948 -7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.504 -6.293 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.101 -7.126 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.313 -7.707 -8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.309 -9.076 -8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.700 -8.269 -6.983 1.00 0.00 H new ATOM 826 N GLY A 53 1.293 -9.128 -3.820 1.00 0.00 N ATOM 827 CA GLY A 53 2.615 -9.578 -3.426 1.00 0.00 C ATOM 828 C GLY A 53 2.671 -10.013 -1.975 1.00 0.00 C ATOM 829 O GLY A 53 3.716 -9.917 -1.331 1.00 0.00 O ATOM 0 H GLY A 53 0.764 -9.794 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.917 -10.409 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.333 -8.774 -3.589 1.00 0.00 H new ATOM 833 N TRP A 54 1.545 -10.491 -1.459 1.00 0.00 N ATOM 834 CA TRP A 54 1.470 -10.941 -0.074 1.00 0.00 C ATOM 835 C TRP A 54 2.288 -12.211 0.131 1.00 0.00 C ATOM 836 O TRP A 54 2.974 -12.674 -0.780 1.00 0.00 O ATOM 837 CB TRP A 54 0.014 -11.187 0.326 1.00 0.00 C ATOM 838 CG TRP A 54 -0.686 -9.954 0.810 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.760 -9.340 0.231 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.359 -9.184 1.972 1.00 0.00 C ATOM 841 NE1 TRP A 54 -2.120 -8.234 0.963 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.278 -8.117 2.036 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.617 -9.292 2.965 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -1.244 -7.167 3.054 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.649 -8.348 3.974 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.277 -7.298 4.013 1.00 0.00 C ATOM 0 H TRP A 54 0.671 -10.577 -1.978 1.00 0.00 H new ATOM 0 HA TRP A 54 1.886 -10.157 0.559 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.527 -11.591 -0.530 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.017 -11.945 1.109 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.254 -9.674 -0.669 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.890 -7.602 0.742 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.334 -10.099 2.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.956 -6.355 3.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.401 -8.421 4.746 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.227 -6.577 4.816 1.00 0.00 H new ATOM 912 N VAL A 59 -4.376 -11.919 0.590 1.00 0.00 N ATOM 913 CA VAL A 59 -4.835 -11.546 1.922 1.00 0.00 C ATOM 914 C VAL A 59 -5.914 -10.471 1.851 1.00 0.00 C ATOM 915 O VAL A 59 -5.861 -9.580 1.004 1.00 0.00 O ATOM 916 CB VAL A 59 -3.672 -11.032 2.793 1.00 0.00 C ATOM 917 CG1 VAL A 59 -4.145 -10.768 4.214 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.520 -12.026 2.782 1.00 0.00 C ATOM 0 HA VAL A 59 -5.251 -12.445 2.376 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.315 -10.091 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.310 -10.406 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.935 -10.017 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.529 -11.692 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.707 -11.648 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.862 -12.983 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.165 -12.160 1.760 1.00 0.00 H new ATOM 928 N GLU A 60 -6.893 -10.563 2.747 1.00 0.00 N ATOM 929 CA GLU A 60 -7.985 -9.598 2.784 1.00 0.00 C ATOM 930 C GLU A 60 -7.706 -8.499 3.806 1.00 0.00 C ATOM 931 O GLU A 60 -6.966 -8.705 4.768 1.00 0.00 O ATOM 932 CB GLU A 60 -9.303 -10.299 3.120 1.00 0.00 C ATOM 933 CG GLU A 60 -9.324 -10.924 4.505 1.00 0.00 C ATOM 934 CD GLU A 60 -10.469 -11.902 4.686 1.00 0.00 C ATOM 935 OE1 GLU A 60 -11.633 -11.496 4.488 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.200 -13.073 5.026 1.00 0.00 O ATOM 0 H GLU A 60 -6.952 -11.295 3.455 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.066 -9.141 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.118 -9.579 3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.492 -11.074 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.380 -11.439 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.402 -10.136 5.254 1.00 0.00 H new ATOM 943 N ASP A 61 -8.303 -7.333 3.590 1.00 0.00 N ATOM 944 CA ASP A 61 -8.120 -6.201 4.491 1.00 0.00 C ATOM 945 C ASP A 61 -8.691 -6.509 5.872 1.00 0.00 C ATOM 946 O ASP A 61 -8.447 -5.778 6.832 1.00 0.00 O ATOM 947 CB ASP A 61 -8.788 -4.951 3.917 1.00 0.00 C ATOM 948 CG ASP A 61 -10.299 -5.069 3.875 1.00 0.00 C ATOM 949 OD1 ASP A 61 -10.800 -6.134 3.458 1.00 0.00 O ATOM 950 OD2 ASP A 61 -10.980 -4.096 4.261 1.00 0.00 O ATOM 0 H ASP A 61 -8.918 -7.146 2.798 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.050 -6.018 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.511 -4.086 4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.412 -4.772 2.910 1.00 0.00 H new ATOM 955 N SER A 62 -9.453 -7.594 5.964 1.00 0.00 N ATOM 956 CA SER A 62 -10.062 -7.996 7.226 1.00 0.00 C ATOM 957 C SER A 62 -9.086 -8.815 8.065 1.00 0.00 C ATOM 958 O SER A 62 -9.413 -9.256 9.167 1.00 0.00 O ATOM 959 CB SER A 62 -11.334 -8.805 6.968 1.00 0.00 C ATOM 960 OG SER A 62 -12.200 -8.766 8.089 1.00 0.00 O ATOM 0 H SER A 62 -9.663 -8.211 5.179 1.00 0.00 H new ATOM 0 HA SER A 62 -10.320 -7.093 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.849 -8.409 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.072 -9.839 6.743 1.00 0.00 H new ATOM 0 HG SER A 62 -11.684 -8.923 8.907 1.00 0.00 H new ATOM 966 N THR A 63 -7.884 -9.016 7.534 1.00 0.00 N ATOM 967 CA THR A 63 -6.859 -9.782 8.231 1.00 0.00 C ATOM 968 C THR A 63 -5.850 -8.862 8.909 1.00 0.00 C ATOM 969 O THR A 63 -5.655 -7.722 8.489 1.00 0.00 O ATOM 970 CB THR A 63 -6.111 -10.725 7.269 1.00 0.00 C ATOM 971 OG1 THR A 63 -7.047 -11.551 6.567 1.00 0.00 O ATOM 972 CG2 THR A 63 -5.123 -11.599 8.027 1.00 0.00 C ATOM 0 H THR A 63 -7.597 -8.659 6.623 1.00 0.00 H new ATOM 0 HA THR A 63 -7.370 -10.377 8.988 1.00 0.00 H new ATOM 0 HB THR A 63 -5.558 -10.116 6.554 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.564 -12.146 5.956 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.607 -12.256 7.327 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.395 -10.968 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.658 -12.200 8.762 1.00 0.00 H new ATOM 980 N VAL A 64 -5.210 -9.366 9.960 1.00 0.00 N ATOM 981 CA VAL A 64 -4.219 -8.589 10.695 1.00 0.00 C ATOM 982 C VAL A 64 -2.806 -9.073 10.391 1.00 0.00 C ATOM 983 O VAL A 64 -2.584 -10.258 10.138 1.00 0.00 O ATOM 984 CB VAL A 64 -4.460 -8.667 12.215 1.00 0.00 C ATOM 985 CG1 VAL A 64 -4.266 -10.090 12.714 1.00 0.00 C ATOM 986 CG2 VAL A 64 -3.539 -7.705 12.949 1.00 0.00 C ATOM 0 H VAL A 64 -5.360 -10.308 10.321 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.324 -7.554 10.370 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.490 -8.374 12.418 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.440 -10.125 13.789 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.971 -10.752 12.210 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.248 -10.415 12.501 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.722 -7.773 14.021 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.501 -7.965 12.741 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.733 -6.687 12.611 1.00 0.00 H new ATOM 996 N LEU A 65 -1.852 -8.149 10.418 1.00 0.00 N ATOM 997 CA LEU A 65 -0.457 -8.481 10.145 1.00 0.00 C ATOM 998 C LEU A 65 0.024 -9.603 11.060 1.00 0.00 C ATOM 999 O LEU A 65 0.554 -10.613 10.596 1.00 0.00 O ATOM 1000 CB LEU A 65 0.426 -7.245 10.326 1.00 0.00 C ATOM 1001 CG LEU A 65 -0.044 -5.974 9.617 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.386 -4.740 10.394 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.496 -5.927 8.195 1.00 0.00 C ATOM 0 H LEU A 65 -2.018 -7.164 10.626 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.385 -8.823 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.506 -7.034 11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.429 -7.485 9.972 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.133 -5.987 9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.043 -3.845 9.875 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.049 -4.769 11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.473 -4.720 10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.152 -5.016 7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.586 -5.937 8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.138 -6.795 7.641 1.00 0.00 H new ATOM 1015 N LYS A 66 -0.165 -9.419 12.362 1.00 0.00 N ATOM 1016 CA LYS A 66 0.246 -10.417 13.344 1.00 0.00 C ATOM 1017 C LYS A 66 -0.238 -11.806 12.942 1.00 0.00 C ATOM 1018 O LYS A 66 0.279 -12.816 13.421 1.00 0.00 O ATOM 1019 CB LYS A 66 -0.298 -10.055 14.727 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.708 -10.563 14.978 1.00 0.00 C ATOM 1021 CD LYS A 66 -2.163 -10.265 16.397 1.00 0.00 C ATOM 1022 CE LYS A 66 -2.640 -8.828 16.540 1.00 0.00 C ATOM 1023 NZ LYS A 66 -2.915 -8.473 17.959 1.00 0.00 N ATOM 0 H LYS A 66 -0.600 -8.588 12.762 1.00 0.00 H new ATOM 0 HA LYS A 66 1.335 -10.428 13.381 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.367 -10.463 15.488 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.286 -8.971 14.841 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.394 -10.099 14.270 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.746 -11.638 14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.969 -10.946 16.672 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.341 -10.447 17.089 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.885 -8.153 16.137 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.544 -8.685 15.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.238 -7.486 18.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.654 -9.100 18.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.046 -8.585 18.519 1.00 0.00 H new ATOM 1037 N SER A 67 -1.232 -11.851 12.061 1.00 0.00 N ATOM 1038 CA SER A 67 -1.787 -13.117 11.597 1.00 0.00 C ATOM 1039 C SER A 67 -0.869 -13.767 10.566 1.00 0.00 C ATOM 1040 O SER A 67 -0.537 -14.948 10.671 1.00 0.00 O ATOM 1041 CB SER A 67 -3.176 -12.899 10.995 1.00 0.00 C ATOM 1042 OG SER A 67 -3.917 -14.107 10.972 1.00 0.00 O ATOM 0 H SER A 67 -1.670 -11.025 11.654 1.00 0.00 H new ATOM 0 HA SER A 67 -1.872 -13.785 12.454 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.714 -12.150 11.576 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.080 -12.508 9.982 1.00 0.00 H new ATOM 0 HG SER A 67 -4.802 -13.941 10.584 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.464 -12.987 9.570 1.00 0.00 N ATOM 1049 CA LEU A 68 0.416 -13.486 8.518 1.00 0.00 C ATOM 1050 C LEU A 68 1.836 -13.675 9.040 1.00 0.00 C ATOM 1051 O LEU A 68 2.572 -14.541 8.567 1.00 0.00 O ATOM 1052 CB LEU A 68 0.421 -12.521 7.331 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.907 -12.363 6.588 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.852 -11.172 5.645 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -1.245 -13.635 5.825 1.00 0.00 C ATOM 0 H LEU A 68 -0.730 -12.008 9.468 1.00 0.00 H new ATOM 0 HA LEU A 68 0.038 -14.454 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.734 -11.540 7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.175 -12.856 6.619 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.693 -12.183 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.805 -11.075 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.656 -10.264 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.055 -11.321 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.193 -13.505 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.457 -13.845 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.327 -14.467 6.524 1.00 0.00 H new ATOM 1067 N HIS A 69 2.215 -12.860 10.019 1.00 0.00 N ATOM 1068 CA HIS A 69 3.547 -12.939 10.608 1.00 0.00 C ATOM 1069 C HIS A 69 4.617 -12.588 9.580 1.00 0.00 C ATOM 1070 O HIS A 69 5.553 -13.357 9.355 1.00 0.00 O ATOM 1071 CB HIS A 69 3.798 -14.341 11.165 1.00 0.00 C ATOM 1072 CG HIS A 69 2.795 -14.766 12.193 1.00 0.00 C ATOM 1073 ND1 HIS A 69 1.745 -15.616 12.107 1.00 0.00 N flip ATOM 1074 CD2 HIS A 69 2.805 -14.302 13.491 1.00 0.00 C flip ATOM 1075 CE1 HIS A 69 1.147 -15.651 13.342 1.00 0.00 C flip ATOM 1076 NE2 HIS A 69 1.805 -14.850 14.160 1.00 0.00 N flip ATOM 0 H HIS A 69 1.618 -12.137 10.421 1.00 0.00 H new ATOM 0 HA HIS A 69 3.601 -12.217 11.423 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.789 -15.057 10.343 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.794 -14.375 11.606 1.00 0.00 H new ATOM 0 HD1 HIS A 69 1.453 -16.134 11.278 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.518 -13.600 13.898 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.279 -16.238 13.602 1.00 0.00 H new ATOM 1085 N LEU A 70 4.474 -11.423 8.957 1.00 0.00 N ATOM 1086 CA LEU A 70 5.428 -10.970 7.951 1.00 0.00 C ATOM 1087 C LEU A 70 6.831 -10.862 8.541 1.00 0.00 C ATOM 1088 O LEU A 70 7.016 -10.503 9.704 1.00 0.00 O ATOM 1089 CB LEU A 70 4.996 -9.618 7.383 1.00 0.00 C ATOM 1090 CG LEU A 70 3.810 -9.643 6.418 1.00 0.00 C ATOM 1091 CD1 LEU A 70 4.074 -10.608 5.272 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.533 -10.022 7.153 1.00 0.00 C ATOM 0 H LEU A 70 3.706 -10.775 9.131 1.00 0.00 H new ATOM 0 HA LEU A 70 5.448 -11.705 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.748 -8.960 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.848 -9.174 6.868 1.00 0.00 H new ATOM 0 HG LEU A 70 3.683 -8.643 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.219 -10.612 4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.965 -10.293 4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.227 -11.611 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.699 -10.035 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.649 -11.011 7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.335 -9.292 7.938 1.00 0.00 H new ATOM 1104 N PRO A 71 7.844 -11.178 7.721 1.00 0.00 N ATOM 1105 CA PRO A 71 9.248 -11.122 8.139 1.00 0.00 C ATOM 1106 C PRO A 71 9.733 -9.691 8.347 1.00 0.00 C ATOM 1107 O PRO A 71 9.081 -8.736 7.927 1.00 0.00 O ATOM 1108 CB PRO A 71 9.992 -11.774 6.971 1.00 0.00 C ATOM 1109 CG PRO A 71 9.104 -11.568 5.793 1.00 0.00 C ATOM 1110 CD PRO A 71 7.697 -11.614 6.322 1.00 0.00 C ATOM 0 HA PRO A 71 9.409 -11.619 9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.968 -11.313 6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.166 -12.834 7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.309 -10.611 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.265 -12.343 5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.036 -10.953 5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.275 -12.617 6.256 1.00 0.00 H new ATOM 1118 N LYS A 72 10.883 -9.551 8.998 1.00 0.00 N ATOM 1119 CA LYS A 72 11.458 -8.237 9.262 1.00 0.00 C ATOM 1120 C LYS A 72 11.525 -7.407 7.984 1.00 0.00 C ATOM 1121 O LYS A 72 11.153 -6.234 7.975 1.00 0.00 O ATOM 1122 CB LYS A 72 12.858 -8.382 9.863 1.00 0.00 C ATOM 1123 CG LYS A 72 13.476 -7.062 10.289 1.00 0.00 C ATOM 1124 CD LYS A 72 14.692 -7.275 11.175 1.00 0.00 C ATOM 1125 CE LYS A 72 14.304 -7.358 12.643 1.00 0.00 C ATOM 1126 NZ LYS A 72 13.890 -8.735 13.031 1.00 0.00 N ATOM 0 H LYS A 72 11.435 -10.332 9.353 1.00 0.00 H new ATOM 0 HA LYS A 72 10.815 -7.722 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.807 -9.045 10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.510 -8.860 9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.764 -6.492 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.735 -6.468 10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.202 -8.192 10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.397 -6.457 11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.147 -7.045 13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.488 -6.664 12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.103 -8.891 14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.868 -8.848 12.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.409 -9.429 12.455 1.00 0.00 H new ATOM 1140 N ASN A 73 12.002 -8.023 6.907 1.00 0.00 N ATOM 1141 CA ASN A 73 12.117 -7.340 5.624 1.00 0.00 C ATOM 1142 C ASN A 73 11.003 -7.773 4.676 1.00 0.00 C ATOM 1143 O ASN A 73 10.927 -8.935 4.280 1.00 0.00 O ATOM 1144 CB ASN A 73 13.480 -7.626 4.991 1.00 0.00 C ATOM 1145 CG ASN A 73 14.629 -7.336 5.937 1.00 0.00 C ATOM 1146 OD1 ASN A 73 14.985 -6.179 6.164 1.00 0.00 O ATOM 1147 ND2 ASN A 73 15.217 -8.388 6.494 1.00 0.00 N ATOM 0 H ASN A 73 12.315 -8.994 6.898 1.00 0.00 H new ATOM 0 HA ASN A 73 12.024 -6.269 5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.522 -8.670 4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.593 -7.022 4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.996 -8.255 7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.889 -9.329 6.278 1.00 0.00 H new ATOM 1154 N ASN A 74 10.140 -6.828 4.315 1.00 0.00 N ATOM 1155 CA ASN A 74 9.029 -7.112 3.414 1.00 0.00 C ATOM 1156 C ASN A 74 9.175 -6.333 2.110 1.00 0.00 C ATOM 1157 O ASN A 74 9.856 -5.309 2.059 1.00 0.00 O ATOM 1158 CB ASN A 74 7.699 -6.761 4.084 1.00 0.00 C ATOM 1159 CG ASN A 74 7.338 -7.729 5.194 1.00 0.00 C ATOM 1160 OD1 ASN A 74 6.864 -8.836 4.938 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.562 -7.315 6.436 1.00 0.00 N ATOM 0 H ASN A 74 10.189 -5.860 4.633 1.00 0.00 H new ATOM 0 HA ASN A 74 9.042 -8.178 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.755 -5.751 4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.907 -6.760 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.340 -7.923 7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.957 -6.389 6.602 1.00 0.00 H new ATOM 1168 N SER A 75 8.531 -6.827 1.057 1.00 0.00 N ATOM 1169 CA SER A 75 8.591 -6.180 -0.248 1.00 0.00 C ATOM 1170 C SER A 75 7.257 -6.303 -0.978 1.00 0.00 C ATOM 1171 O SER A 75 6.906 -7.373 -1.478 1.00 0.00 O ATOM 1172 CB SER A 75 9.707 -6.795 -1.095 1.00 0.00 C ATOM 1173 OG SER A 75 9.525 -8.193 -1.241 1.00 0.00 O ATOM 0 H SER A 75 7.962 -7.673 1.083 1.00 0.00 H new ATOM 0 HA SER A 75 8.804 -5.122 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.725 -6.323 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.672 -6.597 -0.629 1.00 0.00 H new ATOM 0 HG SER A 75 8.567 -8.398 -1.257 1.00 0.00 H new ATOM 1179 N LEU A 76 6.517 -5.202 -1.034 1.00 0.00 N ATOM 1180 CA LEU A 76 5.220 -5.184 -1.703 1.00 0.00 C ATOM 1181 C LEU A 76 5.264 -4.314 -2.955 1.00 0.00 C ATOM 1182 O LEU A 76 6.280 -3.684 -3.250 1.00 0.00 O ATOM 1183 CB LEU A 76 4.140 -4.671 -0.749 1.00 0.00 C ATOM 1184 CG LEU A 76 3.651 -5.663 0.307 1.00 0.00 C ATOM 1185 CD1 LEU A 76 2.792 -4.957 1.345 1.00 0.00 C ATOM 1186 CD2 LEU A 76 2.877 -6.799 -0.345 1.00 0.00 C ATOM 0 H LEU A 76 6.792 -4.309 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 76 4.979 -6.204 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.524 -3.788 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.283 -4.350 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 76 4.520 -6.085 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.453 -5.679 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.378 -4.180 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.928 -4.506 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.537 -7.495 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.015 -6.394 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.524 -7.323 -1.049 1.00 0.00 H new ATOM 1198 N TYR A 77 4.156 -4.283 -3.687 1.00 0.00 N ATOM 1199 CA TYR A 77 4.068 -3.491 -4.907 1.00 0.00 C ATOM 1200 C TYR A 77 2.625 -3.086 -5.192 1.00 0.00 C ATOM 1201 O TYR A 77 1.701 -3.883 -5.028 1.00 0.00 O ATOM 1202 CB TYR A 77 4.633 -4.276 -6.092 1.00 0.00 C ATOM 1203 CG TYR A 77 4.050 -5.664 -6.231 1.00 0.00 C ATOM 1204 CD1 TYR A 77 4.632 -6.751 -5.591 1.00 0.00 C ATOM 1205 CD2 TYR A 77 2.917 -5.889 -7.004 1.00 0.00 C ATOM 1206 CE1 TYR A 77 4.104 -8.021 -5.715 1.00 0.00 C ATOM 1207 CE2 TYR A 77 2.381 -7.156 -7.133 1.00 0.00 C ATOM 1208 CZ TYR A 77 2.978 -8.218 -6.487 1.00 0.00 C ATOM 1209 OH TYR A 77 2.447 -9.482 -6.614 1.00 0.00 O ATOM 0 H TYR A 77 3.306 -4.798 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 77 4.658 -2.586 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.445 -3.718 -7.009 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.715 -4.354 -5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.513 -6.600 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.448 -5.060 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.570 -8.855 -5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.499 -7.314 -7.736 1.00 0.00 H new ATOM 0 HH TYR A 77 1.655 -9.448 -7.190 1.00 0.00 H new ATOM 1219 N VAL A 78 2.439 -1.842 -5.620 1.00 0.00 N ATOM 1220 CA VAL A 78 1.109 -1.330 -5.930 1.00 0.00 C ATOM 1221 C VAL A 78 0.829 -1.399 -7.427 1.00 0.00 C ATOM 1222 O VAL A 78 1.714 -1.151 -8.247 1.00 0.00 O ATOM 1223 CB VAL A 78 0.943 0.125 -5.453 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.311 0.743 -6.052 1.00 0.00 C ATOM 1225 CG2 VAL A 78 0.904 0.186 -3.934 1.00 0.00 C ATOM 0 H VAL A 78 3.193 -1.169 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 78 0.395 -1.961 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 78 1.802 0.702 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.412 1.771 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.237 0.734 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.184 0.168 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.786 1.221 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.064 -0.405 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.833 -0.215 -3.530 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.407 -1.735 -7.777 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.806 -1.836 -9.176 1.00 0.00 C ATOM 1237 C LEU A 79 -2.030 -0.970 -9.458 1.00 0.00 C ATOM 1238 O LEU A 79 -3.154 -1.335 -9.113 1.00 0.00 O ATOM 1239 CB LEU A 79 -1.102 -3.292 -9.539 1.00 0.00 C ATOM 1240 CG LEU A 79 -0.050 -4.317 -9.115 1.00 0.00 C ATOM 1241 CD1 LEU A 79 -0.346 -4.839 -7.718 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.011 -5.464 -10.114 1.00 0.00 C ATOM 0 H LEU A 79 -1.151 -1.942 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 79 0.019 -1.476 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.054 -3.571 -9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.229 -3.357 -10.620 1.00 0.00 H new ATOM 0 HG LEU A 79 0.923 -3.825 -9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.413 -5.567 -7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.337 -4.010 -7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.327 -5.314 -7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.765 -6.184 -9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.961 -5.955 -10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.272 -5.076 -11.098 1.00 0.00 H new ATOM 1254 N THR A 80 -1.804 0.178 -10.089 1.00 0.00 N ATOM 1255 CA THR A 80 -2.888 1.095 -10.418 1.00 0.00 C ATOM 1256 C THR A 80 -3.185 1.082 -11.913 1.00 0.00 C ATOM 1257 O THR A 80 -2.568 1.801 -12.699 1.00 0.00 O ATOM 1258 CB THR A 80 -2.556 2.536 -9.985 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.580 3.100 -10.868 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.032 2.564 -8.557 1.00 0.00 C ATOM 0 H THR A 80 -0.880 0.495 -10.382 1.00 0.00 H new ATOM 0 HA THR A 80 -3.767 0.753 -9.873 1.00 0.00 H new ATOM 0 HB THR A 80 -3.471 3.126 -10.031 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.923 3.087 -11.786 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.804 3.591 -8.273 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.789 2.161 -7.884 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.127 1.960 -8.490 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.152 0.245 -12.317 1.00 0.00 N ATOM 1269 CA PRO A 81 -4.554 0.119 -13.722 1.00 0.00 C ATOM 1270 C PRO A 81 -5.278 1.361 -14.231 1.00 0.00 C ATOM 1271 O PRO A 81 -4.944 1.896 -15.288 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.498 -1.085 -13.714 1.00 0.00 C ATOM 1273 CG PRO A 81 -6.035 -1.137 -12.326 1.00 0.00 C ATOM 1274 CD PRO A 81 -4.929 -0.641 -11.435 1.00 0.00 C ATOM 0 HA PRO A 81 -3.695 -0.000 -14.383 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.299 -0.965 -14.444 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.970 -2.004 -13.969 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.924 -0.514 -12.228 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.326 -2.153 -12.058 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.320 -0.105 -10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.322 -1.462 -11.054 1.00 0.00 H new ATOM 1282 N ASP A 82 -6.271 1.813 -13.473 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.042 2.993 -13.847 1.00 0.00 C ATOM 1284 C ASP A 82 -6.182 4.250 -13.774 1.00 0.00 C ATOM 1285 O ASP A 82 -5.957 4.922 -14.782 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.262 3.141 -12.937 1.00 0.00 C ATOM 1287 CG ASP A 82 -9.398 2.220 -13.337 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -10.150 2.576 -14.268 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -9.536 1.144 -12.719 1.00 0.00 O ATOM 0 H ASP A 82 -6.561 1.380 -12.596 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.379 2.865 -14.876 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.972 2.929 -11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.609 4.174 -12.964 1.00 0.00 H new ATOM 1294 N LEU A 83 -5.704 4.564 -12.575 1.00 0.00 N ATOM 1295 CA LEU A 83 -4.868 5.742 -12.369 1.00 0.00 C ATOM 1296 C LEU A 83 -3.848 5.890 -13.493 1.00 0.00 C ATOM 1297 O LEU A 83 -3.187 4.932 -13.894 1.00 0.00 O ATOM 1298 CB LEU A 83 -4.150 5.653 -11.021 1.00 0.00 C ATOM 1299 CG LEU A 83 -3.822 6.985 -10.346 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -5.097 7.686 -9.903 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -2.892 6.768 -9.161 1.00 0.00 C ATOM 0 H LEU A 83 -5.881 4.020 -11.731 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.514 6.620 -12.372 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.768 5.066 -10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.220 5.102 -11.163 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.313 7.622 -11.070 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.845 8.632 -9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.729 7.875 -10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.633 7.053 -9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.669 7.727 -8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.374 6.113 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.965 6.308 -9.505 1.00 0.00 H new