USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 529 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 41 SER OG : rot 147:sc= -0.529 USER MOD Set 1.2: A 57 CYS SG : rot 180:sc= -0.82 USER MOD Set 2.1: A 8 ASN :FLIP amide:sc= -1.57! C(o=-21!,f=-9.3!) USER MOD Set 2.2: A 19 GLN :FLIP amide:sc= -7.76! C(o=-27!,f=-9.3!) USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= -2.55! (180deg=-4.99!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -14:sc= 0.932 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -2.61! (180deg=-2.76!) USER MOD Single : A 29 TYR OH : rot 116:sc= -1.03! USER MOD Single : A 32 SER OG : rot -41:sc= 0.379 USER MOD Single : A 37 GLN :FLIP amide:sc= -11.2! C(o=-16!,f=-11!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= -1.44 (180deg=-4.01!) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00435 USER MOD Single : A 54 LYS NZ :NH3+ -121:sc= 1.09 (180deg=-0.973) USER MOD Single : A 59 SER OG : rot 45:sc= -3.39! USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= -0.735 (180deg=-3.93!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -14.194 7.296 5.758 1.00 0.00 N ATOM 63 CA ARG A 6 -13.981 5.826 5.562 1.00 0.00 C ATOM 64 C ARG A 6 -14.235 5.471 4.093 1.00 0.00 C ATOM 65 O ARG A 6 -14.662 6.298 3.311 1.00 0.00 O ATOM 66 CB ARG A 6 -14.961 5.047 6.441 1.00 0.00 C ATOM 67 CG ARG A 6 -14.720 5.380 7.916 1.00 0.00 C ATOM 68 CD ARG A 6 -15.607 4.486 8.782 1.00 0.00 C ATOM 69 NE ARG A 6 -17.014 4.567 8.293 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.891 3.669 8.649 1.00 0.00 C ATOM 71 NH1 ARG A 6 -17.531 2.643 9.372 1.00 0.00 N ATOM 72 NH2 ARG A 6 -19.131 3.785 8.261 1.00 0.00 N ATOM 0 HA ARG A 6 -12.958 5.567 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.986 5.296 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.838 3.977 6.277 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.671 5.227 8.169 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.944 6.430 8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.254 3.455 8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.553 4.801 9.824 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.292 5.330 7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.559 2.540 9.662 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.222 1.945 9.647 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.412 4.576 7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.819 3.085 8.537 1.00 0.00 H new ATOM 86 N ASP A 7 -13.978 4.247 3.712 1.00 0.00 N ATOM 87 CA ASP A 7 -14.205 3.844 2.294 1.00 0.00 C ATOM 88 C ASP A 7 -15.693 3.544 2.079 1.00 0.00 C ATOM 89 O ASP A 7 -16.522 3.833 2.919 1.00 0.00 O ATOM 90 CB ASP A 7 -13.371 2.598 1.969 1.00 0.00 C ATOM 91 CG ASP A 7 -13.937 1.375 2.697 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.836 1.547 3.505 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.454 0.288 2.435 1.00 0.00 O ATOM 0 H ASP A 7 -13.621 3.511 4.321 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.902 4.657 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.372 2.422 0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.334 2.758 2.265 1.00 0.00 H new ATOM 98 N ASN A 8 -16.035 2.972 0.957 1.00 0.00 N ATOM 99 CA ASN A 8 -17.467 2.654 0.682 1.00 0.00 C ATOM 100 C ASN A 8 -17.905 1.510 1.602 1.00 0.00 C ATOM 101 O ASN A 8 -19.080 1.298 1.836 1.00 0.00 O ATOM 102 CB ASN A 8 -17.651 2.241 -0.806 1.00 0.00 C ATOM 103 CG ASN A 8 -16.368 2.510 -1.599 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.669 3.584 -1.346 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 -16.005 1.733 -2.459 1.00 0.00 N flip ATOM 0 H ASN A 8 -15.384 2.710 0.217 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.079 3.535 0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.909 1.184 -0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.480 2.797 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -16.553 0.895 -2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.152 1.918 -2.986 1.00 0.00 H new ATOM 112 N ARG A 9 -16.964 0.756 2.102 1.00 0.00 N ATOM 113 CA ARG A 9 -17.303 -0.398 2.984 1.00 0.00 C ATOM 114 C ARG A 9 -17.208 0.010 4.459 1.00 0.00 C ATOM 115 O ARG A 9 -17.422 -0.795 5.345 1.00 0.00 O ATOM 116 CB ARG A 9 -16.303 -1.525 2.707 1.00 0.00 C ATOM 117 CG ARG A 9 -16.532 -2.125 1.308 1.00 0.00 C ATOM 118 CD ARG A 9 -17.647 -3.173 1.352 1.00 0.00 C ATOM 119 NE ARG A 9 -17.354 -4.198 2.409 1.00 0.00 N ATOM 120 CZ ARG A 9 -16.268 -4.922 2.387 1.00 0.00 C ATOM 121 NH1 ARG A 9 -15.467 -4.891 1.358 1.00 0.00 N ATOM 122 NH2 ARG A 9 -16.007 -5.717 3.386 1.00 0.00 N ATOM 0 H ARG A 9 -15.967 0.891 1.936 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.322 -0.727 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.285 -1.141 2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.406 -2.303 3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.795 -1.335 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.610 -2.580 0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.602 -2.690 1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.739 -3.658 0.380 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.023 -4.333 3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.686 -4.296 0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.621 -5.461 1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.649 -5.770 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.161 -6.286 3.377 1.00 0.00 H new ATOM 136 N GLY A 10 -16.901 1.247 4.736 1.00 0.00 N ATOM 137 CA GLY A 10 -16.806 1.691 6.157 1.00 0.00 C ATOM 138 C GLY A 10 -15.438 1.333 6.741 1.00 0.00 C ATOM 139 O GLY A 10 -15.267 1.264 7.942 1.00 0.00 O ATOM 0 H GLY A 10 -16.712 1.970 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.964 2.768 6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.593 1.219 6.745 1.00 0.00 H new ATOM 143 N ARG A 11 -14.455 1.111 5.909 1.00 0.00 N ATOM 144 CA ARG A 11 -13.100 0.777 6.435 1.00 0.00 C ATOM 145 C ARG A 11 -12.349 2.076 6.701 1.00 0.00 C ATOM 146 O ARG A 11 -12.564 3.071 6.043 1.00 0.00 O ATOM 147 CB ARG A 11 -12.313 -0.049 5.413 1.00 0.00 C ATOM 148 CG ARG A 11 -12.977 -1.420 5.223 1.00 0.00 C ATOM 149 CD ARG A 11 -12.471 -2.088 3.926 1.00 0.00 C ATOM 150 NE ARG A 11 -12.300 -3.547 4.148 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.296 -4.364 3.130 1.00 0.00 C ATOM 152 NH1 ARG A 11 -12.470 -3.903 1.919 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.127 -5.644 3.325 1.00 0.00 N ATOM 0 H ARG A 11 -14.531 1.146 4.892 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.206 0.195 7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.272 0.479 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.285 -0.177 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.758 -2.059 6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.060 -1.304 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.179 -1.914 3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.523 -1.643 3.622 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.186 -3.910 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.609 -2.904 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.467 -4.543 1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.999 -6.003 4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.123 -6.285 2.531 1.00 0.00 H new ATOM 167 N ILE A 12 -11.480 2.077 7.665 1.00 0.00 N ATOM 168 CA ILE A 12 -10.704 3.307 7.986 1.00 0.00 C ATOM 169 C ILE A 12 -9.406 3.307 7.178 1.00 0.00 C ATOM 170 O ILE A 12 -8.575 2.434 7.330 1.00 0.00 O ATOM 171 CB ILE A 12 -10.366 3.288 9.482 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.667 3.356 10.317 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.436 4.457 9.829 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.173 4.802 10.466 1.00 0.00 C ATOM 0 H ILE A 12 -11.269 1.271 8.253 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.285 4.196 7.741 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.849 2.358 9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.437 2.748 9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.489 2.929 11.304 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.203 4.433 10.894 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.514 4.372 9.254 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.929 5.398 9.587 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.088 4.808 11.058 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.413 5.404 10.965 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.376 5.220 9.480 1.00 0.00 H new ATOM 186 N LEU A 13 -9.201 4.290 6.338 1.00 0.00 N ATOM 187 CA LEU A 13 -7.932 4.343 5.558 1.00 0.00 C ATOM 188 C LEU A 13 -6.936 5.127 6.402 1.00 0.00 C ATOM 189 O LEU A 13 -7.275 6.127 7.001 1.00 0.00 O ATOM 190 CB LEU A 13 -8.132 5.067 4.217 1.00 0.00 C ATOM 191 CG LEU A 13 -9.248 4.396 3.389 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.975 2.892 3.263 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.622 4.626 4.042 1.00 0.00 C ATOM 0 H LEU A 13 -9.854 5.053 6.161 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.584 3.333 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.386 6.112 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.200 5.059 3.652 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.257 4.844 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.767 2.426 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.017 2.736 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.946 2.443 4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.395 4.145 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.624 4.201 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.822 5.696 4.101 1.00 0.00 H new ATOM 205 N LYS A 14 -5.721 4.678 6.489 1.00 0.00 N ATOM 206 CA LYS A 14 -4.728 5.401 7.338 1.00 0.00 C ATOM 207 C LYS A 14 -4.061 6.519 6.543 1.00 0.00 C ATOM 208 O LYS A 14 -4.433 6.820 5.426 1.00 0.00 O ATOM 209 CB LYS A 14 -3.667 4.424 7.836 1.00 0.00 C ATOM 210 CG LYS A 14 -4.350 3.287 8.602 1.00 0.00 C ATOM 211 CD LYS A 14 -3.291 2.435 9.309 1.00 0.00 C ATOM 212 CE LYS A 14 -2.264 1.937 8.288 1.00 0.00 C ATOM 213 NZ LYS A 14 -1.240 2.996 8.059 1.00 0.00 N ATOM 0 H LYS A 14 -5.368 3.847 6.014 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.250 5.838 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.101 4.023 6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.956 4.939 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.049 3.695 9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.930 2.669 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.795 3.022 10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.764 1.588 9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.787 1.026 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.759 1.686 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.345 3.378 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.371 3.761 8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.289 2.589 8.168 1.00 0.00 H new ATOM 227 N THR A 15 -3.090 7.150 7.134 1.00 0.00 N ATOM 228 CA THR A 15 -2.394 8.275 6.451 1.00 0.00 C ATOM 229 C THR A 15 -1.936 7.844 5.055 1.00 0.00 C ATOM 230 O THR A 15 -1.451 6.747 4.860 1.00 0.00 O ATOM 231 CB THR A 15 -1.184 8.702 7.284 1.00 0.00 C ATOM 232 OG1 THR A 15 -1.571 8.813 8.647 1.00 0.00 O ATOM 233 CG2 THR A 15 -0.676 10.057 6.787 1.00 0.00 C ATOM 0 H THR A 15 -2.744 6.934 8.069 1.00 0.00 H new ATOM 0 HA THR A 15 -3.083 9.114 6.350 1.00 0.00 H new ATOM 0 HB THR A 15 -0.391 7.960 7.187 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.798 9.085 9.185 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.186 10.362 7.380 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.385 9.975 5.740 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.466 10.801 6.887 1.00 0.00 H new ATOM 241 N GLY A 16 -2.081 8.706 4.085 1.00 0.00 N ATOM 242 CA GLY A 16 -1.650 8.360 2.701 1.00 0.00 C ATOM 243 C GLY A 16 -2.612 7.336 2.096 1.00 0.00 C ATOM 244 O GLY A 16 -2.987 7.430 0.944 1.00 0.00 O ATOM 0 H GLY A 16 -2.481 9.638 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.625 9.258 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.638 7.956 2.716 1.00 0.00 H new ATOM 248 N GLU A 17 -3.016 6.357 2.857 1.00 0.00 N ATOM 249 CA GLU A 17 -3.947 5.332 2.317 1.00 0.00 C ATOM 250 C GLU A 17 -5.300 5.974 2.001 1.00 0.00 C ATOM 251 O GLU A 17 -5.795 6.805 2.734 1.00 0.00 O ATOM 252 CB GLU A 17 -4.137 4.234 3.363 1.00 0.00 C ATOM 253 CG GLU A 17 -2.830 3.454 3.524 1.00 0.00 C ATOM 254 CD GLU A 17 -3.066 2.237 4.420 1.00 0.00 C ATOM 255 OE1 GLU A 17 -4.215 1.949 4.704 1.00 0.00 O ATOM 256 OE2 GLU A 17 -2.091 1.611 4.803 1.00 0.00 O ATOM 0 H GLU A 17 -2.740 6.224 3.830 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.532 4.907 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.432 4.672 4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.939 3.562 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.463 3.134 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.063 4.095 3.959 1.00 0.00 H new ATOM 263 N SER A 18 -5.895 5.582 0.911 1.00 0.00 N ATOM 264 CA SER A 18 -7.219 6.142 0.523 1.00 0.00 C ATOM 265 C SER A 18 -7.899 5.159 -0.431 1.00 0.00 C ATOM 266 O SER A 18 -7.265 4.275 -0.973 1.00 0.00 O ATOM 267 CB SER A 18 -7.029 7.480 -0.185 1.00 0.00 C ATOM 268 OG SER A 18 -6.299 7.273 -1.386 1.00 0.00 O ATOM 0 H SER A 18 -5.517 4.890 0.265 1.00 0.00 H new ATOM 0 HA SER A 18 -7.831 6.294 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.997 7.929 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.496 8.176 0.463 1.00 0.00 H new ATOM 0 HG SER A 18 -6.176 8.130 -1.846 1.00 0.00 H new ATOM 274 N GLN A 19 -9.179 5.297 -0.650 1.00 0.00 N ATOM 275 CA GLN A 19 -9.878 4.357 -1.580 1.00 0.00 C ATOM 276 C GLN A 19 -9.892 4.951 -2.984 1.00 0.00 C ATOM 277 O GLN A 19 -9.892 6.154 -3.160 1.00 0.00 O ATOM 278 CB GLN A 19 -11.322 4.128 -1.109 1.00 0.00 C ATOM 279 CG GLN A 19 -12.008 3.050 -1.997 1.00 0.00 C ATOM 280 CD GLN A 19 -13.103 3.678 -2.866 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.100 2.936 -3.263 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 -13.056 4.851 -3.176 1.00 0.00 N flip ATOM 0 H GLN A 19 -9.770 6.014 -0.229 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.349 3.404 -1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.327 3.809 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.882 5.062 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.264 2.569 -2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.439 2.273 -1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.276 5.430 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.797 5.258 -3.748 1.00 0.00 H new ATOM 291 N ARG A 20 -9.896 4.117 -3.990 1.00 0.00 N ATOM 292 CA ARG A 20 -9.903 4.638 -5.391 1.00 0.00 C ATOM 293 C ARG A 20 -11.347 4.819 -5.859 1.00 0.00 C ATOM 294 O ARG A 20 -12.268 4.262 -5.300 1.00 0.00 O ATOM 295 CB ARG A 20 -9.171 3.654 -6.328 1.00 0.00 C ATOM 296 CG ARG A 20 -8.683 4.386 -7.608 1.00 0.00 C ATOM 297 CD ARG A 20 -8.965 3.550 -8.861 1.00 0.00 C ATOM 298 NE ARG A 20 -8.587 4.339 -10.072 1.00 0.00 N ATOM 299 CZ ARG A 20 -8.505 3.753 -11.233 1.00 0.00 C ATOM 300 NH1 ARG A 20 -8.752 2.475 -11.337 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.183 4.445 -12.294 1.00 0.00 N ATOM 0 H ARG A 20 -9.895 3.101 -3.904 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.388 5.598 -5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.321 3.211 -5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.839 2.837 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.182 5.352 -7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.614 4.585 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.399 2.619 -8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.020 3.280 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.393 5.337 -9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.009 1.936 -10.510 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.688 2.015 -12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.996 5.444 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.119 3.986 -13.202 1.00 0.00 H new ATOM 315 N LYS A 21 -11.543 5.589 -6.888 1.00 0.00 N ATOM 316 CA LYS A 21 -12.913 5.817 -7.415 1.00 0.00 C ATOM 317 C LYS A 21 -13.559 4.477 -7.787 1.00 0.00 C ATOM 318 O LYS A 21 -14.763 4.327 -7.734 1.00 0.00 O ATOM 319 CB LYS A 21 -12.810 6.719 -8.656 1.00 0.00 C ATOM 320 CG LYS A 21 -14.213 7.124 -9.169 1.00 0.00 C ATOM 321 CD LYS A 21 -14.653 6.196 -10.311 1.00 0.00 C ATOM 322 CE LYS A 21 -16.021 6.634 -10.830 1.00 0.00 C ATOM 323 NZ LYS A 21 -16.466 5.698 -11.902 1.00 0.00 N ATOM 0 H LYS A 21 -10.803 6.076 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.532 6.297 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.236 7.613 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.268 6.197 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.934 7.074 -8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.196 8.157 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.921 6.224 -11.118 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.700 5.166 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.746 6.643 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.966 7.651 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.398 5.994 -12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.778 5.711 -12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.533 4.735 -11.516 1.00 0.00 H new ATOM 337 N ASP A 22 -12.778 3.507 -8.182 1.00 0.00 N ATOM 338 CA ASP A 22 -13.367 2.190 -8.571 1.00 0.00 C ATOM 339 C ASP A 22 -13.571 1.315 -7.329 1.00 0.00 C ATOM 340 O ASP A 22 -14.604 0.694 -7.166 1.00 0.00 O ATOM 341 CB ASP A 22 -12.423 1.481 -9.542 1.00 0.00 C ATOM 342 CG ASP A 22 -12.326 2.286 -10.836 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.025 3.281 -10.946 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.559 1.894 -11.698 1.00 0.00 O ATOM 0 H ASP A 22 -11.762 3.568 -8.252 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.332 2.358 -9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.436 1.374 -9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.788 0.476 -9.753 1.00 0.00 H new ATOM 349 N GLY A 23 -12.607 1.261 -6.444 1.00 0.00 N ATOM 350 CA GLY A 23 -12.772 0.426 -5.213 1.00 0.00 C ATOM 351 C GLY A 23 -11.412 -0.087 -4.725 1.00 0.00 C ATOM 352 O GLY A 23 -11.201 -0.263 -3.544 1.00 0.00 O ATOM 0 H GLY A 23 -11.718 1.755 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.248 1.014 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.431 -0.417 -5.424 1.00 0.00 H new ATOM 356 N ARG A 24 -10.487 -0.329 -5.615 1.00 0.00 N ATOM 357 CA ARG A 24 -9.155 -0.831 -5.166 1.00 0.00 C ATOM 358 C ARG A 24 -8.512 0.214 -4.248 1.00 0.00 C ATOM 359 O ARG A 24 -8.666 1.400 -4.441 1.00 0.00 O ATOM 360 CB ARG A 24 -8.248 -1.105 -6.389 1.00 0.00 C ATOM 361 CG ARG A 24 -8.708 -0.263 -7.585 1.00 0.00 C ATOM 362 CD ARG A 24 -7.609 -0.216 -8.668 1.00 0.00 C ATOM 363 NE ARG A 24 -8.242 -0.303 -10.015 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.555 0.007 -11.080 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.296 0.334 -10.975 1.00 0.00 N ATOM 366 NH2 ARG A 24 -8.121 -0.033 -12.253 1.00 0.00 N ATOM 0 H ARG A 24 -10.593 -0.203 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.281 -1.765 -4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.213 -0.868 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.280 -2.164 -6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.622 -0.684 -8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.945 0.748 -7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.036 0.707 -8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.909 -1.040 -8.528 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.212 -0.605 -10.104 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.847 0.348 -10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.761 0.576 -11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.100 -0.306 -12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.585 0.209 -13.086 1.00 0.00 H new ATOM 380 N TYR A 25 -7.794 -0.222 -3.251 1.00 0.00 N ATOM 381 CA TYR A 25 -7.143 0.741 -2.323 1.00 0.00 C ATOM 382 C TYR A 25 -5.794 1.162 -2.905 1.00 0.00 C ATOM 383 O TYR A 25 -5.275 0.535 -3.808 1.00 0.00 O ATOM 384 CB TYR A 25 -6.922 0.065 -0.970 1.00 0.00 C ATOM 385 CG TYR A 25 -8.255 -0.369 -0.405 1.00 0.00 C ATOM 386 CD1 TYR A 25 -9.203 0.597 -0.057 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.550 -1.731 -0.240 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.444 0.207 0.458 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.793 -2.120 0.275 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.740 -1.150 0.622 1.00 0.00 C ATOM 391 OH TYR A 25 -11.968 -1.531 1.127 1.00 0.00 O ATOM 0 H TYR A 25 -7.630 -1.206 -3.039 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.778 1.618 -2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.264 -0.797 -1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.429 0.753 -0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.977 1.645 -0.186 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.819 -2.479 -0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.174 0.955 0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.020 -3.168 0.404 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.415 -0.753 1.522 1.00 0.00 H new ATOM 401 N LEU A 26 -5.216 2.218 -2.399 1.00 0.00 N ATOM 402 CA LEU A 26 -3.899 2.669 -2.926 1.00 0.00 C ATOM 403 C LEU A 26 -3.149 3.452 -1.842 1.00 0.00 C ATOM 404 O LEU A 26 -3.742 4.078 -0.983 1.00 0.00 O ATOM 405 CB LEU A 26 -4.120 3.514 -4.202 1.00 0.00 C ATOM 406 CG LEU A 26 -4.323 5.021 -3.882 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.973 5.765 -3.940 1.00 0.00 C ATOM 408 CD2 LEU A 26 -5.278 5.644 -4.914 1.00 0.00 C ATOM 0 H LEU A 26 -5.600 2.787 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.285 1.809 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.263 3.398 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.991 3.138 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.744 5.111 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.129 6.820 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.289 5.335 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.546 5.667 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.419 6.701 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.853 5.540 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.240 5.133 -4.874 1.00 0.00 H new ATOM 420 N TYR A 27 -1.846 3.414 -1.884 1.00 0.00 N ATOM 421 CA TYR A 27 -1.019 4.139 -0.876 1.00 0.00 C ATOM 422 C TYR A 27 0.111 4.873 -1.600 1.00 0.00 C ATOM 423 O TYR A 27 0.343 4.658 -2.774 1.00 0.00 O ATOM 424 CB TYR A 27 -0.440 3.116 0.105 1.00 0.00 C ATOM 425 CG TYR A 27 0.529 3.792 1.049 1.00 0.00 C ATOM 426 CD1 TYR A 27 0.061 4.715 1.992 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.896 3.486 0.985 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.957 5.332 2.874 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.790 4.106 1.871 1.00 0.00 C ATOM 430 CZ TYR A 27 2.320 5.028 2.814 1.00 0.00 C ATOM 431 OH TYR A 27 3.201 5.637 3.685 1.00 0.00 O ATOM 0 H TYR A 27 -1.310 2.903 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.623 4.863 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.245 2.648 0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.068 2.322 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.992 4.951 2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.259 2.776 0.257 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.594 6.043 3.601 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.843 3.871 1.825 1.00 0.00 H new ATOM 0 HH TYR A 27 4.110 5.314 3.510 1.00 0.00 H new ATOM 441 N LYS A 28 0.816 5.740 -0.914 1.00 0.00 N ATOM 442 CA LYS A 28 1.938 6.499 -1.561 1.00 0.00 C ATOM 443 C LYS A 28 3.207 6.357 -0.726 1.00 0.00 C ATOM 444 O LYS A 28 3.181 6.428 0.487 1.00 0.00 O ATOM 445 CB LYS A 28 1.567 7.985 -1.665 1.00 0.00 C ATOM 446 CG LYS A 28 2.685 8.746 -2.406 1.00 0.00 C ATOM 447 CD LYS A 28 2.429 10.262 -2.352 1.00 0.00 C ATOM 448 CE LYS A 28 3.755 11.017 -2.520 1.00 0.00 C ATOM 449 NZ LYS A 28 4.420 11.128 -1.193 1.00 0.00 N ATOM 0 H LYS A 28 0.663 5.957 0.071 1.00 0.00 H new ATOM 0 HA LYS A 28 2.110 6.094 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.622 8.098 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.425 8.405 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.650 8.518 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.733 8.416 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.733 10.551 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.965 10.529 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.402 10.491 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.574 12.009 -2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.238 11.766 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.746 11.508 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.741 10.188 -0.886 1.00 0.00 H new ATOM 463 N TYR A 29 4.326 6.175 -1.377 1.00 0.00 N ATOM 464 CA TYR A 29 5.618 6.050 -0.641 1.00 0.00 C ATOM 465 C TYR A 29 6.730 6.704 -1.474 1.00 0.00 C ATOM 466 O TYR A 29 6.594 6.895 -2.665 1.00 0.00 O ATOM 467 CB TYR A 29 5.918 4.566 -0.375 1.00 0.00 C ATOM 468 CG TYR A 29 6.550 3.911 -1.581 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.768 3.588 -2.695 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.917 3.616 -1.573 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.354 2.972 -3.805 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.505 3.001 -2.678 1.00 0.00 C ATOM 473 CZ TYR A 29 7.726 2.677 -3.799 1.00 0.00 C ATOM 474 OH TYR A 29 8.309 2.070 -4.893 1.00 0.00 O ATOM 0 H TYR A 29 4.400 6.107 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 29 5.558 6.558 0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.585 4.475 0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.995 4.046 -0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.712 3.814 -2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.518 3.865 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.751 2.723 -4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.561 2.774 -2.671 1.00 0.00 H new ATOM 0 HH TYR A 29 8.966 2.678 -5.293 1.00 0.00 H new ATOM 484 N ILE A 30 7.824 7.056 -0.849 1.00 0.00 N ATOM 485 CA ILE A 30 8.952 7.709 -1.588 1.00 0.00 C ATOM 486 C ILE A 30 10.033 6.662 -1.884 1.00 0.00 C ATOM 487 O ILE A 30 10.383 5.859 -1.044 1.00 0.00 O ATOM 488 CB ILE A 30 9.520 8.862 -0.724 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.654 10.117 -0.899 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.951 9.210 -1.144 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.181 9.775 -0.688 1.00 0.00 C ATOM 0 H ILE A 30 7.988 6.919 0.148 1.00 0.00 H new ATOM 0 HA ILE A 30 8.601 8.121 -2.534 1.00 0.00 H new ATOM 0 HB ILE A 30 9.516 8.532 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.963 10.883 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.799 10.532 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.326 10.022 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.589 8.335 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.958 9.521 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.577 10.674 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.874 9.025 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.039 9.382 0.319 1.00 0.00 H new ATOM 503 N ASP A 31 10.560 6.671 -3.082 1.00 0.00 N ATOM 504 CA ASP A 31 11.615 5.683 -3.446 1.00 0.00 C ATOM 505 C ASP A 31 12.971 6.177 -2.921 1.00 0.00 C ATOM 506 O ASP A 31 13.109 7.308 -2.507 1.00 0.00 O ATOM 507 CB ASP A 31 11.657 5.530 -4.973 1.00 0.00 C ATOM 508 CG ASP A 31 10.288 5.062 -5.474 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.489 4.640 -4.654 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.061 5.134 -6.670 1.00 0.00 O ATOM 0 H ASP A 31 10.303 7.322 -3.824 1.00 0.00 H new ATOM 0 HA ASP A 31 11.393 4.714 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.922 6.480 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.426 4.811 -5.257 1.00 0.00 H new ATOM 515 N SER A 32 13.966 5.327 -2.910 1.00 0.00 N ATOM 516 CA SER A 32 15.303 5.739 -2.385 1.00 0.00 C ATOM 517 C SER A 32 15.877 6.908 -3.195 1.00 0.00 C ATOM 518 O SER A 32 16.975 7.363 -2.935 1.00 0.00 O ATOM 519 CB SER A 32 16.271 4.557 -2.446 1.00 0.00 C ATOM 520 OG SER A 32 17.423 4.856 -1.669 1.00 0.00 O ATOM 0 H SER A 32 13.910 4.364 -3.242 1.00 0.00 H new ATOM 0 HA SER A 32 15.176 6.061 -1.351 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.787 3.656 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.556 4.358 -3.479 1.00 0.00 H new ATOM 0 HG SER A 32 17.682 5.790 -1.814 1.00 0.00 H new ATOM 526 N PHE A 33 15.159 7.400 -4.174 1.00 0.00 N ATOM 527 CA PHE A 33 15.680 8.539 -4.994 1.00 0.00 C ATOM 528 C PHE A 33 15.010 9.830 -4.516 1.00 0.00 C ATOM 529 O PHE A 33 15.522 10.916 -4.711 1.00 0.00 O ATOM 530 CB PHE A 33 15.341 8.309 -6.472 1.00 0.00 C ATOM 531 CG PHE A 33 15.821 6.942 -6.910 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.168 5.792 -6.446 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.898 6.823 -7.798 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.594 4.525 -6.860 1.00 0.00 C ATOM 535 CE2 PHE A 33 17.327 5.555 -8.209 1.00 0.00 C ATOM 536 CZ PHE A 33 16.673 4.407 -7.744 1.00 0.00 C ATOM 0 H PHE A 33 14.234 7.063 -4.441 1.00 0.00 H new ATOM 0 HA PHE A 33 16.762 8.612 -4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.265 8.390 -6.623 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.808 9.080 -7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.333 5.884 -5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.397 7.708 -8.165 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.091 3.640 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.164 5.462 -8.886 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.001 3.430 -8.068 1.00 0.00 H new ATOM 546 N GLY A 34 13.875 9.713 -3.863 1.00 0.00 N ATOM 547 CA GLY A 34 13.162 10.922 -3.337 1.00 0.00 C ATOM 548 C GLY A 34 11.929 11.233 -4.196 1.00 0.00 C ATOM 549 O GLY A 34 11.181 12.143 -3.902 1.00 0.00 O ATOM 0 H GLY A 34 13.410 8.826 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.860 10.753 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.837 11.778 -3.335 1.00 0.00 H new ATOM 553 N GLU A 35 11.709 10.498 -5.255 1.00 0.00 N ATOM 554 CA GLU A 35 10.519 10.781 -6.123 1.00 0.00 C ATOM 555 C GLU A 35 9.271 10.072 -5.554 1.00 0.00 C ATOM 556 O GLU A 35 9.385 9.041 -4.922 1.00 0.00 O ATOM 557 CB GLU A 35 10.815 10.288 -7.548 1.00 0.00 C ATOM 558 CG GLU A 35 11.127 8.788 -7.532 1.00 0.00 C ATOM 559 CD GLU A 35 11.373 8.296 -8.960 1.00 0.00 C ATOM 560 OE1 GLU A 35 10.457 8.386 -9.764 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.469 7.832 -9.224 1.00 0.00 O ATOM 0 H GLU A 35 12.294 9.719 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 35 10.322 11.853 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.959 10.482 -8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.659 10.839 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.005 8.596 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.298 8.239 -7.086 1.00 0.00 H new ATOM 568 N PRO A 36 8.083 10.622 -5.759 1.00 0.00 N ATOM 569 CA PRO A 36 6.809 10.021 -5.241 1.00 0.00 C ATOM 570 C PRO A 36 6.297 8.841 -6.088 1.00 0.00 C ATOM 571 O PRO A 36 6.328 8.873 -7.302 1.00 0.00 O ATOM 572 CB PRO A 36 5.823 11.192 -5.310 1.00 0.00 C ATOM 573 CG PRO A 36 6.282 11.995 -6.480 1.00 0.00 C ATOM 574 CD PRO A 36 7.811 11.880 -6.495 1.00 0.00 C ATOM 0 HA PRO A 36 6.944 9.599 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.800 10.842 -5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.840 11.781 -4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.853 11.615 -7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.969 13.035 -6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.198 11.839 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.280 12.736 -6.010 1.00 0.00 H new ATOM 582 N GLN A 37 5.800 7.806 -5.444 1.00 0.00 N ATOM 583 CA GLN A 37 5.255 6.621 -6.188 1.00 0.00 C ATOM 584 C GLN A 37 3.956 6.168 -5.513 1.00 0.00 C ATOM 585 O GLN A 37 3.687 6.504 -4.377 1.00 0.00 O ATOM 586 CB GLN A 37 6.277 5.462 -6.171 1.00 0.00 C ATOM 587 CG GLN A 37 7.195 5.550 -7.396 1.00 0.00 C ATOM 588 CD GLN A 37 7.997 6.841 -7.315 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.406 7.252 -6.150 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 8.250 7.481 -8.316 1.00 0.00 N flip ATOM 0 H GLN A 37 5.749 7.732 -4.428 1.00 0.00 H new ATOM 0 HA GLN A 37 5.062 6.901 -7.223 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.871 5.504 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.754 4.506 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.865 4.691 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.605 5.529 -8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.926 7.153 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.786 8.346 -8.246 1.00 0.00 H new ATOM 599 N PHE A 38 3.148 5.410 -6.213 1.00 0.00 N ATOM 600 CA PHE A 38 1.856 4.928 -5.635 1.00 0.00 C ATOM 601 C PHE A 38 1.706 3.425 -5.884 1.00 0.00 C ATOM 602 O PHE A 38 2.201 2.894 -6.858 1.00 0.00 O ATOM 603 CB PHE A 38 0.703 5.671 -6.308 1.00 0.00 C ATOM 604 CG PHE A 38 0.841 7.155 -6.056 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.736 7.913 -6.823 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.074 7.776 -5.063 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.864 9.289 -6.597 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.202 9.151 -4.837 1.00 0.00 C ATOM 609 CZ PHE A 38 1.097 9.909 -5.604 1.00 0.00 C ATOM 0 H PHE A 38 3.330 5.102 -7.168 1.00 0.00 H new ATOM 0 HA PHE A 38 1.844 5.116 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.705 5.472 -7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.250 5.313 -5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.328 7.435 -7.590 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.617 7.194 -4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.554 9.872 -7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.390 9.629 -4.070 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.195 10.970 -5.429 1.00 0.00 H new ATOM 619 N VAL A 39 1.022 2.744 -5.001 1.00 0.00 N ATOM 620 CA VAL A 39 0.810 1.267 -5.146 1.00 0.00 C ATOM 621 C VAL A 39 -0.701 0.996 -5.195 1.00 0.00 C ATOM 622 O VAL A 39 -1.485 1.736 -4.638 1.00 0.00 O ATOM 623 CB VAL A 39 1.432 0.548 -3.927 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.890 0.175 -4.214 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.383 1.474 -2.708 1.00 0.00 C ATOM 0 H VAL A 39 0.593 3.154 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 39 1.280 0.900 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 39 0.863 -0.361 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.314 -0.330 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.933 -0.489 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.462 1.079 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.821 0.967 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.946 2.383 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.347 1.731 -2.488 1.00 0.00 H new ATOM 635 N TYR A 40 -1.114 -0.057 -5.869 1.00 0.00 N ATOM 636 CA TYR A 40 -2.580 -0.383 -5.969 1.00 0.00 C ATOM 637 C TYR A 40 -2.831 -1.825 -5.522 1.00 0.00 C ATOM 638 O TYR A 40 -1.957 -2.667 -5.575 1.00 0.00 O ATOM 639 CB TYR A 40 -3.034 -0.211 -7.423 1.00 0.00 C ATOM 640 CG TYR A 40 -3.112 1.261 -7.743 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.980 1.942 -8.204 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.316 1.948 -7.557 1.00 0.00 C ATOM 643 CE1 TYR A 40 -2.054 3.312 -8.484 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.393 3.314 -7.837 1.00 0.00 C ATOM 645 CZ TYR A 40 -3.261 4.000 -8.298 1.00 0.00 C ATOM 646 OH TYR A 40 -3.336 5.351 -8.572 1.00 0.00 O ATOM 0 H TYR A 40 -0.497 -0.707 -6.356 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.143 0.290 -5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.335 -0.706 -8.097 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.006 -0.681 -7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.050 1.411 -8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.187 1.421 -7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.182 3.838 -8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.325 3.842 -7.698 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.244 5.672 -8.390 1.00 0.00 H new ATOM 656 N SER A 41 -4.029 -2.110 -5.073 1.00 0.00 N ATOM 657 CA SER A 41 -4.352 -3.491 -4.610 1.00 0.00 C ATOM 658 C SER A 41 -5.860 -3.616 -4.375 1.00 0.00 C ATOM 659 O SER A 41 -6.531 -2.651 -4.067 1.00 0.00 O ATOM 660 CB SER A 41 -3.622 -3.764 -3.295 1.00 0.00 C ATOM 661 OG SER A 41 -3.837 -5.116 -2.911 1.00 0.00 O ATOM 0 H SER A 41 -4.797 -1.442 -5.008 1.00 0.00 H new ATOM 0 HA SER A 41 -4.039 -4.208 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.555 -3.572 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.984 -3.091 -2.518 1.00 0.00 H new ATOM 0 HG SER A 41 -3.044 -5.454 -2.444 1.00 0.00 H new ATOM 667 N TRP A 42 -6.399 -4.801 -4.504 1.00 0.00 N ATOM 668 CA TRP A 42 -7.862 -4.996 -4.274 1.00 0.00 C ATOM 669 C TRP A 42 -8.090 -5.427 -2.824 1.00 0.00 C ATOM 670 O TRP A 42 -9.139 -5.930 -2.475 1.00 0.00 O ATOM 671 CB TRP A 42 -8.388 -6.084 -5.212 1.00 0.00 C ATOM 672 CG TRP A 42 -8.496 -5.550 -6.598 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.667 -5.859 -7.619 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.484 -4.624 -7.138 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.082 -5.186 -8.748 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.195 -4.408 -8.502 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.589 -3.951 -6.579 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -9.975 -3.566 -9.291 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.377 -3.099 -7.370 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.068 -2.904 -8.724 1.00 0.00 C ATOM 0 H TRP A 42 -5.887 -5.645 -4.760 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.389 -4.062 -4.470 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.719 -6.945 -5.196 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.363 -6.431 -4.870 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.818 -6.524 -7.560 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.622 -5.255 -9.656 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.831 -4.091 -5.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.737 -3.425 -10.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.225 -2.592 -6.934 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.673 -2.244 -9.327 1.00 0.00 H new ATOM 691 N LYS A 43 -7.112 -5.236 -1.975 1.00 0.00 N ATOM 692 CA LYS A 43 -7.269 -5.634 -0.543 1.00 0.00 C ATOM 693 C LYS A 43 -6.566 -4.609 0.351 1.00 0.00 C ATOM 694 O LYS A 43 -5.528 -4.078 0.011 1.00 0.00 O ATOM 695 CB LYS A 43 -6.649 -7.021 -0.330 1.00 0.00 C ATOM 696 CG LYS A 43 -5.376 -7.148 -1.170 1.00 0.00 C ATOM 697 CD LYS A 43 -4.540 -8.336 -0.676 1.00 0.00 C ATOM 698 CE LYS A 43 -5.289 -9.650 -0.930 1.00 0.00 C ATOM 699 NZ LYS A 43 -6.281 -9.881 0.158 1.00 0.00 N ATOM 0 H LYS A 43 -6.211 -4.821 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.328 -5.669 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.417 -7.169 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.362 -7.796 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.635 -7.286 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.793 -6.229 -1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.578 -8.352 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.332 -8.227 0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.795 -9.611 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.583 -10.479 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.215 -10.866 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.081 -9.239 0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.240 -9.699 -0.202 1.00 0.00 H new ATOM 713 N LEU A 44 -7.128 -4.341 1.500 1.00 0.00 N ATOM 714 CA LEU A 44 -6.510 -3.365 2.445 1.00 0.00 C ATOM 715 C LEU A 44 -5.684 -4.125 3.477 1.00 0.00 C ATOM 716 O LEU A 44 -4.584 -3.742 3.786 1.00 0.00 O ATOM 717 CB LEU A 44 -7.611 -2.568 3.153 1.00 0.00 C ATOM 718 CG LEU A 44 -7.015 -1.714 4.288 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.859 -0.853 3.762 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.111 -0.807 4.853 1.00 0.00 C ATOM 0 H LEU A 44 -7.998 -4.761 1.827 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.868 -2.677 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.121 -1.925 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.359 -3.250 3.558 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.631 -2.372 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.450 -0.256 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.079 -1.498 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.226 -0.192 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.700 -0.198 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.489 -0.158 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.925 -1.419 5.241 1.00 0.00 H new ATOM 732 N VAL A 45 -6.214 -5.201 4.013 1.00 0.00 N ATOM 733 CA VAL A 45 -5.465 -6.000 5.038 1.00 0.00 C ATOM 734 C VAL A 45 -5.265 -7.423 4.520 1.00 0.00 C ATOM 735 O VAL A 45 -6.022 -7.916 3.707 1.00 0.00 O ATOM 736 CB VAL A 45 -6.264 -6.051 6.351 1.00 0.00 C ATOM 737 CG1 VAL A 45 -6.275 -4.670 7.026 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.703 -6.485 6.054 1.00 0.00 C ATOM 0 H VAL A 45 -7.140 -5.562 3.783 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.499 -5.530 5.222 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.792 -6.767 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.845 -4.723 7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.252 -4.364 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.736 -3.942 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.271 -6.522 6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.166 -5.770 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.697 -7.473 5.593 1.00 0.00 H new ATOM 748 N ALA A 46 -4.242 -8.081 4.985 1.00 0.00 N ATOM 749 CA ALA A 46 -3.960 -9.476 4.530 1.00 0.00 C ATOM 750 C ALA A 46 -5.171 -10.389 4.778 1.00 0.00 C ATOM 751 O ALA A 46 -5.217 -11.505 4.301 1.00 0.00 O ATOM 752 CB ALA A 46 -2.746 -10.007 5.300 1.00 0.00 C ATOM 0 H ALA A 46 -3.581 -7.711 5.668 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.756 -9.468 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.528 -11.025 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.883 -9.371 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.962 -10.003 6.368 1.00 0.00 H new ATOM 758 N THR A 47 -6.147 -9.941 5.529 1.00 0.00 N ATOM 759 CA THR A 47 -7.338 -10.813 5.807 1.00 0.00 C ATOM 760 C THR A 47 -8.478 -10.534 4.810 1.00 0.00 C ATOM 761 O THR A 47 -9.469 -11.236 4.787 1.00 0.00 O ATOM 762 CB THR A 47 -7.834 -10.533 7.228 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.434 -9.246 7.267 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.657 -10.570 8.202 1.00 0.00 C ATOM 0 H THR A 47 -6.174 -9.017 5.960 1.00 0.00 H new ATOM 0 HA THR A 47 -7.038 -11.856 5.701 1.00 0.00 H new ATOM 0 HB THR A 47 -8.563 -11.291 7.514 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.755 -9.062 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.014 -10.370 9.212 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.189 -11.554 8.170 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.927 -9.812 7.919 1.00 0.00 H new ATOM 772 N ASP A 48 -8.357 -9.518 3.999 1.00 0.00 N ATOM 773 CA ASP A 48 -9.445 -9.198 3.019 1.00 0.00 C ATOM 774 C ASP A 48 -9.500 -10.250 1.897 1.00 0.00 C ATOM 775 O ASP A 48 -8.592 -11.039 1.729 1.00 0.00 O ATOM 776 CB ASP A 48 -9.172 -7.819 2.413 1.00 0.00 C ATOM 777 CG ASP A 48 -9.463 -6.737 3.453 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.958 -7.081 4.514 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.190 -5.583 3.171 1.00 0.00 O ATOM 0 H ASP A 48 -7.552 -8.892 3.970 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.403 -9.202 3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.135 -7.753 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.795 -7.668 1.532 1.00 0.00 H new ATOM 784 N ARG A 49 -10.570 -10.256 1.124 1.00 0.00 N ATOM 785 CA ARG A 49 -10.715 -11.243 -0.005 1.00 0.00 C ATOM 786 C ARG A 49 -11.055 -10.485 -1.293 1.00 0.00 C ATOM 787 O ARG A 49 -12.022 -9.752 -1.360 1.00 0.00 O ATOM 788 CB ARG A 49 -11.841 -12.253 0.333 1.00 0.00 C ATOM 789 CG ARG A 49 -12.260 -13.111 -0.893 1.00 0.00 C ATOM 790 CD ARG A 49 -11.163 -14.114 -1.269 1.00 0.00 C ATOM 791 NE ARG A 49 -11.336 -14.522 -2.704 1.00 0.00 N ATOM 792 CZ ARG A 49 -12.455 -15.042 -3.132 1.00 0.00 C ATOM 793 NH1 ARG A 49 -13.382 -15.395 -2.286 1.00 0.00 N ATOM 794 NH2 ARG A 49 -12.623 -15.259 -4.410 1.00 0.00 N ATOM 0 H ARG A 49 -11.355 -9.613 1.229 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.782 -11.789 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.506 -12.911 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.710 -11.711 0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.183 -13.645 -0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.467 -12.460 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.180 -13.667 -1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.216 -14.989 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.564 -14.390 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.235 -15.265 -1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.254 -15.801 -2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.882 -15.022 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.496 -15.665 -4.748 1.00 0.00 H new ATOM 808 N VAL A 50 -10.265 -10.664 -2.319 1.00 0.00 N ATOM 809 CA VAL A 50 -10.531 -9.965 -3.607 1.00 0.00 C ATOM 810 C VAL A 50 -11.554 -10.766 -4.440 1.00 0.00 C ATOM 811 O VAL A 50 -11.497 -11.979 -4.469 1.00 0.00 O ATOM 812 CB VAL A 50 -9.224 -9.879 -4.394 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.163 -9.181 -3.553 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.743 -11.289 -4.741 1.00 0.00 C ATOM 0 H VAL A 50 -9.443 -11.268 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.927 -8.970 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.394 -9.313 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.232 -9.122 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.501 -8.175 -3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.996 -9.746 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.811 -11.228 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.577 -11.853 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.498 -11.793 -5.345 1.00 0.00 H new ATOM 824 N PRO A 51 -12.461 -10.116 -5.143 1.00 0.00 N ATOM 825 CA PRO A 51 -13.444 -10.841 -5.997 1.00 0.00 C ATOM 826 C PRO A 51 -12.739 -11.880 -6.878 1.00 0.00 C ATOM 827 O PRO A 51 -11.610 -11.691 -7.287 1.00 0.00 O ATOM 828 CB PRO A 51 -14.084 -9.743 -6.867 1.00 0.00 C ATOM 829 CG PRO A 51 -13.853 -8.448 -6.139 1.00 0.00 C ATOM 830 CD PRO A 51 -12.654 -8.655 -5.197 1.00 0.00 C ATOM 0 HA PRO A 51 -14.179 -11.386 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.632 -9.719 -7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.149 -9.927 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.652 -7.642 -6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.740 -8.162 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.764 -8.153 -5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.855 -8.246 -4.207 1.00 0.00 H new ATOM 838 N ALA A 52 -13.384 -12.972 -7.177 1.00 0.00 N ATOM 839 CA ALA A 52 -12.727 -13.998 -8.032 1.00 0.00 C ATOM 840 C ALA A 52 -12.182 -13.339 -9.294 1.00 0.00 C ATOM 841 O ALA A 52 -11.121 -13.682 -9.778 1.00 0.00 O ATOM 842 CB ALA A 52 -13.728 -15.093 -8.409 1.00 0.00 C ATOM 0 H ALA A 52 -14.330 -13.198 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.906 -14.450 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.235 -15.837 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.103 -15.571 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.560 -14.652 -8.958 1.00 0.00 H new ATOM 848 N GLY A 53 -12.888 -12.387 -9.825 1.00 0.00 N ATOM 849 CA GLY A 53 -12.396 -11.701 -11.047 1.00 0.00 C ATOM 850 C GLY A 53 -10.993 -11.152 -10.781 1.00 0.00 C ATOM 851 O GLY A 53 -10.169 -11.067 -11.671 1.00 0.00 O ATOM 0 H GLY A 53 -13.783 -12.054 -9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.375 -12.396 -11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.071 -10.891 -11.321 1.00 0.00 H new ATOM 855 N LYS A 54 -10.711 -10.779 -9.555 1.00 0.00 N ATOM 856 CA LYS A 54 -9.365 -10.236 -9.215 1.00 0.00 C ATOM 857 C LYS A 54 -8.524 -11.362 -8.605 1.00 0.00 C ATOM 858 O LYS A 54 -8.994 -12.112 -7.774 1.00 0.00 O ATOM 859 CB LYS A 54 -9.529 -9.100 -8.196 1.00 0.00 C ATOM 860 CG LYS A 54 -9.979 -7.810 -8.893 1.00 0.00 C ATOM 861 CD LYS A 54 -11.308 -8.023 -9.620 1.00 0.00 C ATOM 862 CE LYS A 54 -11.914 -6.665 -9.991 1.00 0.00 C ATOM 863 NZ LYS A 54 -12.342 -5.952 -8.754 1.00 0.00 N ATOM 0 H LYS A 54 -11.363 -10.829 -8.772 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.872 -9.852 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.260 -9.385 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.585 -8.930 -7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.085 -7.012 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.217 -7.490 -9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.151 -8.620 -10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.997 -8.579 -8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.183 -6.066 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.767 -6.806 -10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.361 -5.752 -8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.146 -6.548 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.818 -5.058 -8.670 1.00 0.00 H new ATOM 877 N ARG A 55 -7.291 -11.498 -9.014 1.00 0.00 N ATOM 878 CA ARG A 55 -6.436 -12.585 -8.451 1.00 0.00 C ATOM 879 C ARG A 55 -5.911 -12.169 -7.071 1.00 0.00 C ATOM 880 O ARG A 55 -6.003 -11.022 -6.682 1.00 0.00 O ATOM 881 CB ARG A 55 -5.267 -12.857 -9.399 1.00 0.00 C ATOM 882 CG ARG A 55 -4.432 -11.591 -9.562 1.00 0.00 C ATOM 883 CD ARG A 55 -3.353 -11.834 -10.617 1.00 0.00 C ATOM 884 NE ARG A 55 -2.432 -12.899 -10.131 1.00 0.00 N ATOM 885 CZ ARG A 55 -1.591 -13.469 -10.950 1.00 0.00 C ATOM 886 NH1 ARG A 55 -1.586 -13.145 -12.214 1.00 0.00 N ATOM 887 NH2 ARG A 55 -0.761 -14.372 -10.504 1.00 0.00 N ATOM 0 H ARG A 55 -6.839 -10.906 -9.711 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.027 -13.494 -8.343 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.648 -13.664 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.641 -13.185 -10.369 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.068 -10.757 -9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.973 -11.318 -8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.809 -12.133 -11.561 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.799 -10.915 -10.808 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.459 -13.184 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.240 -12.445 -12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.928 -13.592 -12.852 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.771 -14.631 -9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.103 -14.819 -11.142 1.00 0.00 H new ATOM 901 N ASP A 56 -5.372 -13.099 -6.321 1.00 0.00 N ATOM 902 CA ASP A 56 -4.855 -12.768 -4.957 1.00 0.00 C ATOM 903 C ASP A 56 -3.659 -11.812 -5.066 1.00 0.00 C ATOM 904 O ASP A 56 -3.025 -11.712 -6.096 1.00 0.00 O ATOM 905 CB ASP A 56 -4.421 -14.056 -4.253 1.00 0.00 C ATOM 906 CG ASP A 56 -5.657 -14.888 -3.904 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.454 -14.424 -3.106 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.783 -15.980 -4.439 1.00 0.00 O ATOM 0 H ASP A 56 -5.268 -14.076 -6.596 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.644 -12.284 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.754 -14.629 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.862 -13.818 -3.348 1.00 0.00 H new ATOM 913 N CYS A 57 -3.352 -11.104 -4.007 1.00 0.00 N ATOM 914 CA CYS A 57 -2.210 -10.149 -4.046 1.00 0.00 C ATOM 915 C CYS A 57 -1.781 -9.811 -2.616 1.00 0.00 C ATOM 916 O CYS A 57 -2.361 -10.277 -1.657 1.00 0.00 O ATOM 917 CB CYS A 57 -2.646 -8.875 -4.771 1.00 0.00 C ATOM 918 SG CYS A 57 -4.326 -8.438 -4.258 1.00 0.00 S ATOM 0 H CYS A 57 -3.847 -11.149 -3.116 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.370 -10.598 -4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.960 -8.060 -4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.611 -9.027 -5.850 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.699 -7.354 -4.871 1.00 0.00 H new ATOM 924 N ILE A 58 -0.763 -9.006 -2.469 1.00 0.00 N ATOM 925 CA ILE A 58 -0.286 -8.632 -1.103 1.00 0.00 C ATOM 926 C ILE A 58 -1.056 -7.407 -0.592 1.00 0.00 C ATOM 927 O ILE A 58 -1.233 -6.434 -1.297 1.00 0.00 O ATOM 928 CB ILE A 58 1.206 -8.310 -1.167 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.965 -9.562 -1.606 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.692 -7.881 0.216 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.404 -9.187 -1.972 1.00 0.00 C ATOM 0 H ILE A 58 -0.238 -8.589 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.457 -9.464 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 58 1.380 -7.503 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.963 -10.301 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.469 -10.019 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.757 -7.651 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.142 -6.996 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.525 -8.690 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.944 -10.080 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.395 -8.464 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.898 -8.749 -1.104 1.00 0.00 H new ATOM 943 N SER A 59 -1.506 -7.453 0.633 1.00 0.00 N ATOM 944 CA SER A 59 -2.258 -6.298 1.213 1.00 0.00 C ATOM 945 C SER A 59 -1.363 -5.057 1.244 1.00 0.00 C ATOM 946 O SER A 59 -0.154 -5.150 1.165 1.00 0.00 O ATOM 947 CB SER A 59 -2.674 -6.640 2.636 1.00 0.00 C ATOM 948 OG SER A 59 -3.179 -5.477 3.269 1.00 0.00 O ATOM 0 H SER A 59 -1.385 -8.246 1.263 1.00 0.00 H new ATOM 0 HA SER A 59 -3.137 -6.097 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.433 -7.422 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.822 -7.030 3.192 1.00 0.00 H new ATOM 0 HG SER A 59 -3.791 -5.013 2.660 1.00 0.00 H new ATOM 954 N LEU A 60 -1.941 -3.891 1.363 1.00 0.00 N ATOM 955 CA LEU A 60 -1.117 -2.656 1.405 1.00 0.00 C ATOM 956 C LEU A 60 -0.244 -2.661 2.667 1.00 0.00 C ATOM 957 O LEU A 60 0.946 -2.428 2.608 1.00 0.00 O ATOM 958 CB LEU A 60 -2.042 -1.431 1.423 1.00 0.00 C ATOM 959 CG LEU A 60 -2.723 -1.269 0.056 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.759 -0.135 0.134 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.673 -0.948 -1.035 1.00 0.00 C ATOM 0 H LEU A 60 -2.948 -3.744 1.433 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.475 -2.616 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.795 -1.545 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.469 -0.535 1.662 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.221 -2.202 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.244 -0.018 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.508 -0.378 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.260 0.796 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.171 -0.836 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.158 -0.021 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.949 -1.761 -1.093 1.00 0.00 H new ATOM 973 N ARG A 61 -0.818 -2.931 3.812 1.00 0.00 N ATOM 974 CA ARG A 61 -0.005 -2.935 5.068 1.00 0.00 C ATOM 975 C ARG A 61 1.269 -3.755 4.839 1.00 0.00 C ATOM 976 O ARG A 61 2.365 -3.303 5.101 1.00 0.00 O ATOM 977 CB ARG A 61 -0.818 -3.554 6.222 1.00 0.00 C ATOM 978 CG ARG A 61 -1.799 -2.528 6.821 1.00 0.00 C ATOM 979 CD ARG A 61 -2.961 -2.300 5.853 1.00 0.00 C ATOM 980 NE ARG A 61 -3.916 -1.263 6.371 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.516 -1.372 7.527 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.415 -2.459 8.238 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.280 -0.399 7.940 1.00 0.00 N ATOM 0 H ARG A 61 -1.807 -3.148 3.932 1.00 0.00 H new ATOM 0 HA ARG A 61 0.258 -1.910 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.370 -4.421 5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.141 -3.910 6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.176 -2.887 7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.284 -1.587 7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.572 -1.986 4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.493 -3.238 5.694 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.104 -0.441 5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.860 -3.243 7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.890 -2.526 9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.403 0.433 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.755 -0.470 8.840 1.00 0.00 H new ATOM 997 N GLU A 62 1.132 -4.953 4.347 1.00 0.00 N ATOM 998 CA GLU A 62 2.332 -5.797 4.096 1.00 0.00 C ATOM 999 C GLU A 62 3.140 -5.229 2.919 1.00 0.00 C ATOM 1000 O GLU A 62 4.353 -5.245 2.933 1.00 0.00 O ATOM 1001 CB GLU A 62 1.899 -7.233 3.790 1.00 0.00 C ATOM 1002 CG GLU A 62 1.390 -7.900 5.070 1.00 0.00 C ATOM 1003 CD GLU A 62 0.828 -9.281 4.733 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.451 -9.483 3.592 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.782 -10.115 5.622 1.00 0.00 O ATOM 0 H GLU A 62 0.240 -5.385 4.107 1.00 0.00 H new ATOM 0 HA GLU A 62 2.961 -5.795 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.116 -7.234 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.738 -7.797 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.201 -7.991 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.619 -7.284 5.532 1.00 0.00 H new ATOM 1012 N LYS A 63 2.488 -4.728 1.896 1.00 0.00 N ATOM 1013 CA LYS A 63 3.255 -4.172 0.732 1.00 0.00 C ATOM 1014 C LYS A 63 4.056 -2.952 1.195 1.00 0.00 C ATOM 1015 O LYS A 63 5.222 -2.806 0.888 1.00 0.00 O ATOM 1016 CB LYS A 63 2.285 -3.744 -0.382 1.00 0.00 C ATOM 1017 CG LYS A 63 3.073 -3.435 -1.658 1.00 0.00 C ATOM 1018 CD LYS A 63 2.114 -3.068 -2.804 1.00 0.00 C ATOM 1019 CE LYS A 63 1.389 -4.316 -3.339 1.00 0.00 C ATOM 1020 NZ LYS A 63 0.168 -4.571 -2.523 1.00 0.00 N ATOM 0 H LYS A 63 1.472 -4.679 1.815 1.00 0.00 H new ATOM 0 HA LYS A 63 3.928 -4.938 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.561 -4.537 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.721 -2.865 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.764 -2.612 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.674 -4.299 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.382 -2.341 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.672 -2.593 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.117 -4.171 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.053 -5.180 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.250 -5.497 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.070 -3.827 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.669 -4.567 -3.140 1.00 0.00 H new ATOM 1034 N ILE A 64 3.434 -2.082 1.938 1.00 0.00 N ATOM 1035 CA ILE A 64 4.140 -0.865 2.437 1.00 0.00 C ATOM 1036 C ILE A 64 5.483 -1.270 3.048 1.00 0.00 C ATOM 1037 O ILE A 64 6.521 -0.761 2.675 1.00 0.00 O ATOM 1038 CB ILE A 64 3.225 -0.171 3.487 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.342 0.893 2.816 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.037 0.494 4.604 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.258 0.226 1.983 1.00 0.00 C ATOM 0 H ILE A 64 2.458 -2.160 2.225 1.00 0.00 H new ATOM 0 HA ILE A 64 4.341 -0.168 1.624 1.00 0.00 H new ATOM 0 HB ILE A 64 2.602 -0.951 3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.888 1.530 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.953 1.537 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.359 0.966 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.634 -0.259 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.696 1.249 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.639 0.990 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.720 -0.392 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.638 -0.399 2.626 1.00 0.00 H new ATOM 1053 N ALA A 65 5.475 -2.174 3.976 1.00 0.00 N ATOM 1054 CA ALA A 65 6.756 -2.597 4.599 1.00 0.00 C ATOM 1055 C ALA A 65 7.681 -3.188 3.528 1.00 0.00 C ATOM 1056 O ALA A 65 8.888 -3.116 3.630 1.00 0.00 O ATOM 1057 CB ALA A 65 6.465 -3.644 5.676 1.00 0.00 C ATOM 0 H ALA A 65 4.640 -2.640 4.332 1.00 0.00 H new ATOM 0 HA ALA A 65 7.248 -1.737 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.400 -3.960 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.812 -3.213 6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.975 -4.506 5.223 1.00 0.00 H new ATOM 1063 N GLU A 66 7.123 -3.786 2.508 1.00 0.00 N ATOM 1064 CA GLU A 66 7.966 -4.411 1.440 1.00 0.00 C ATOM 1065 C GLU A 66 8.708 -3.349 0.613 1.00 0.00 C ATOM 1066 O GLU A 66 9.864 -3.518 0.278 1.00 0.00 O ATOM 1067 CB GLU A 66 7.060 -5.219 0.504 1.00 0.00 C ATOM 1068 CG GLU A 66 7.910 -6.097 -0.417 1.00 0.00 C ATOM 1069 CD GLU A 66 7.027 -6.669 -1.530 1.00 0.00 C ATOM 1070 OE1 GLU A 66 6.226 -7.539 -1.237 1.00 0.00 O ATOM 1071 OE2 GLU A 66 7.168 -6.224 -2.656 1.00 0.00 O ATOM 0 H GLU A 66 6.116 -3.870 2.366 1.00 0.00 H new ATOM 0 HA GLU A 66 8.706 -5.052 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.381 -5.841 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.443 -4.545 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.723 -5.512 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.366 -6.906 0.153 1.00 0.00 H new ATOM 1078 N LEU A 67 8.055 -2.278 0.249 1.00 0.00 N ATOM 1079 CA LEU A 67 8.737 -1.244 -0.595 1.00 0.00 C ATOM 1080 C LEU A 67 9.828 -0.510 0.192 1.00 0.00 C ATOM 1081 O LEU A 67 10.936 -0.362 -0.273 1.00 0.00 O ATOM 1082 CB LEU A 67 7.692 -0.214 -1.084 1.00 0.00 C ATOM 1083 CG LEU A 67 7.067 -0.660 -2.417 1.00 0.00 C ATOM 1084 CD1 LEU A 67 8.129 -0.672 -3.544 1.00 0.00 C ATOM 1085 CD2 LEU A 67 6.456 -2.055 -2.243 1.00 0.00 C ATOM 0 H LEU A 67 7.087 -2.072 0.495 1.00 0.00 H new ATOM 0 HA LEU A 67 9.203 -1.750 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.911 -0.097 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.165 0.760 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 67 6.287 0.046 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.665 -0.990 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.541 0.330 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.930 -1.364 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.011 -2.377 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.235 -2.759 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.687 -2.022 -1.471 1.00 0.00 H new ATOM 1097 N GLN A 68 9.510 -0.007 1.345 1.00 0.00 N ATOM 1098 CA GLN A 68 10.514 0.772 2.124 1.00 0.00 C ATOM 1099 C GLN A 68 11.621 -0.128 2.705 1.00 0.00 C ATOM 1100 O GLN A 68 12.759 0.286 2.802 1.00 0.00 O ATOM 1101 CB GLN A 68 9.790 1.507 3.256 1.00 0.00 C ATOM 1102 CG GLN A 68 8.664 2.365 2.666 1.00 0.00 C ATOM 1103 CD GLN A 68 7.884 3.046 3.792 1.00 0.00 C ATOM 1104 OE1 GLN A 68 8.452 3.428 4.797 1.00 0.00 O ATOM 1105 NE2 GLN A 68 6.596 3.216 3.667 1.00 0.00 N ATOM 0 H GLN A 68 8.596 -0.100 1.787 1.00 0.00 H new ATOM 0 HA GLN A 68 10.998 1.481 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.381 0.790 3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.492 2.135 3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.081 3.116 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.994 1.743 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.119 2.896 2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.067 3.669 4.412 1.00 0.00 H new