USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.98) USER MOD Single : A 18 THR OG1 : rot 99:sc= -0.421 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.829 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 95:sc= 1.04 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -166:sc= 0 (180deg=-0.234) USER MOD Single : A 40 HIS : no HD1:sc= -6.38! C(o=-6.4!,f=-6.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.56! C(o=-1.6!,f=-3!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.847 USER MOD Single : A 74 ASN : amide:sc= -0.0933 K(o=-0.093,f=-1.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00655 X(o=-0.0066,f=-0.18) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.470 9.313 -13.864 1.00 0.00 N ATOM 60 CA GLY A 7 6.535 8.330 -13.764 1.00 0.00 C ATOM 61 C GLY A 7 6.469 7.584 -12.429 1.00 0.00 C ATOM 62 O GLY A 7 7.170 6.592 -12.233 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.457 7.619 -14.586 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.502 8.824 -13.861 1.00 0.00 H new ATOM 66 N LEU A 8 5.620 8.090 -11.547 1.00 0.00 N ATOM 67 CA LEU A 8 5.454 7.484 -10.237 1.00 0.00 C ATOM 68 C LEU A 8 5.164 5.991 -10.403 1.00 0.00 C ATOM 69 O LEU A 8 5.779 5.158 -9.740 1.00 0.00 O ATOM 70 CB LEU A 8 4.388 8.232 -9.432 1.00 0.00 C ATOM 71 CG LEU A 8 4.538 9.753 -9.373 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.335 10.396 -8.678 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.860 10.149 -8.712 1.00 0.00 C ATOM 0 H LEU A 8 5.040 8.912 -11.714 1.00 0.00 H new ATOM 0 HA LEU A 8 6.374 7.568 -9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.411 7.999 -9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.394 7.846 -8.413 1.00 0.00 H new ATOM 0 HG LEU A 8 4.562 10.133 -10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.467 11.478 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.425 10.156 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.255 10.013 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.941 11.236 -8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.891 9.756 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.691 9.738 -9.286 1.00 0.00 H new ATOM 85 N ARG A 9 4.226 5.698 -11.292 1.00 0.00 N ATOM 86 CA ARG A 9 3.847 4.320 -11.554 1.00 0.00 C ATOM 87 C ARG A 9 5.081 3.416 -11.526 1.00 0.00 C ATOM 88 O ARG A 9 5.156 2.488 -10.722 1.00 0.00 O ATOM 89 CB ARG A 9 3.157 4.188 -12.913 1.00 0.00 C ATOM 90 CG ARG A 9 1.919 5.084 -12.989 1.00 0.00 C ATOM 91 CD ARG A 9 0.945 4.585 -14.058 1.00 0.00 C ATOM 92 NE ARG A 9 1.256 5.215 -15.360 1.00 0.00 N ATOM 93 CZ ARG A 9 2.163 4.744 -16.226 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.856 3.635 -15.933 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.379 5.382 -17.384 1.00 0.00 N ATOM 0 H ARG A 9 3.717 6.392 -11.840 1.00 0.00 H new ATOM 0 HA ARG A 9 3.150 4.013 -10.774 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.854 4.457 -13.706 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.870 3.150 -13.080 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.421 5.105 -12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.220 6.107 -13.215 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.011 3.500 -14.144 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.079 4.819 -13.767 1.00 0.00 H new ATOM 0 HE ARG A 9 0.747 6.062 -15.614 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.693 3.150 -15.051 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.547 3.276 -16.592 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.853 6.227 -17.607 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.070 5.023 -18.043 1.00 0.00 H new ATOM 109 N LYS A 10 6.017 3.718 -12.413 1.00 0.00 N ATOM 110 CA LYS A 10 7.243 2.944 -12.500 1.00 0.00 C ATOM 111 C LYS A 10 7.887 2.859 -11.114 1.00 0.00 C ATOM 112 O LYS A 10 8.371 1.801 -10.715 1.00 0.00 O ATOM 113 CB LYS A 10 8.168 3.524 -13.573 1.00 0.00 C ATOM 114 CG LYS A 10 7.548 3.383 -14.965 1.00 0.00 C ATOM 115 CD LYS A 10 7.634 1.937 -15.459 1.00 0.00 C ATOM 116 CE LYS A 10 8.777 1.768 -16.462 1.00 0.00 C ATOM 117 NZ LYS A 10 8.332 0.969 -17.625 1.00 0.00 N ATOM 0 H LYS A 10 5.951 4.489 -13.078 1.00 0.00 H new ATOM 0 HA LYS A 10 7.027 1.923 -12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.361 4.576 -13.362 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.129 3.011 -13.545 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.506 3.700 -14.937 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.063 4.041 -15.665 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.787 1.268 -14.612 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.691 1.651 -15.925 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.123 2.746 -16.796 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.623 1.279 -15.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.120 0.864 -18.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.024 0.029 -17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.539 1.451 -18.095 1.00 0.00 H new ATOM 131 N GLN A 11 7.872 3.987 -10.420 1.00 0.00 N ATOM 132 CA GLN A 11 8.448 4.053 -9.087 1.00 0.00 C ATOM 133 C GLN A 11 7.659 3.165 -8.123 1.00 0.00 C ATOM 134 O GLN A 11 8.239 2.341 -7.418 1.00 0.00 O ATOM 135 CB GLN A 11 8.500 5.497 -8.584 1.00 0.00 C ATOM 136 CG GLN A 11 9.018 6.439 -9.673 1.00 0.00 C ATOM 137 CD GLN A 11 9.922 7.521 -9.078 1.00 0.00 C ATOM 138 OE1 GLN A 11 11.137 7.477 -9.182 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.264 8.491 -8.449 1.00 0.00 N ATOM 0 H GLN A 11 7.470 4.863 -10.755 1.00 0.00 H new ATOM 0 HA GLN A 11 9.472 3.682 -9.136 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.505 5.812 -8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.146 5.558 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.571 5.869 -10.420 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.177 6.905 -10.186 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.246 8.467 -8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.778 9.259 -8.017 1.00 0.00 H new ATOM 148 N VAL A 12 6.349 3.362 -8.124 1.00 0.00 N ATOM 149 CA VAL A 12 5.475 2.589 -7.258 1.00 0.00 C ATOM 150 C VAL A 12 5.754 1.098 -7.459 1.00 0.00 C ATOM 151 O VAL A 12 5.975 0.369 -6.494 1.00 0.00 O ATOM 152 CB VAL A 12 4.015 2.965 -7.519 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.068 2.091 -6.693 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.773 4.450 -7.242 1.00 0.00 C ATOM 0 H VAL A 12 5.871 4.046 -8.711 1.00 0.00 H new ATOM 0 HA VAL A 12 5.674 2.818 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 12 3.805 2.783 -8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.037 2.379 -6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.213 1.044 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.280 2.227 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.728 4.691 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.009 4.669 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.410 5.050 -7.892 1.00 0.00 H new ATOM 164 N GLU A 13 5.735 0.690 -8.720 1.00 0.00 N ATOM 165 CA GLU A 13 5.983 -0.701 -9.060 1.00 0.00 C ATOM 166 C GLU A 13 7.195 -1.227 -8.290 1.00 0.00 C ATOM 167 O GLU A 13 7.122 -2.276 -7.651 1.00 0.00 O ATOM 168 CB GLU A 13 6.175 -0.870 -10.568 1.00 0.00 C ATOM 169 CG GLU A 13 4.965 -0.339 -11.339 1.00 0.00 C ATOM 170 CD GLU A 13 4.486 -1.356 -12.377 1.00 0.00 C ATOM 171 OE1 GLU A 13 5.250 -1.587 -13.339 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.368 -1.880 -12.184 1.00 0.00 O ATOM 0 H GLU A 13 5.552 1.298 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 13 5.111 -1.287 -8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.073 -0.340 -10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.326 -1.924 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.156 -0.115 -10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.227 0.596 -11.835 1.00 0.00 H new ATOM 179 N LEU A 14 8.283 -0.475 -8.375 1.00 0.00 N ATOM 180 CA LEU A 14 9.510 -0.853 -7.694 1.00 0.00 C ATOM 181 C LEU A 14 9.240 -0.968 -6.193 1.00 0.00 C ATOM 182 O LEU A 14 9.649 -1.939 -5.557 1.00 0.00 O ATOM 183 CB LEU A 14 10.638 0.120 -8.043 1.00 0.00 C ATOM 184 CG LEU A 14 12.022 -0.235 -7.498 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.460 -1.622 -7.973 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.046 0.843 -7.857 1.00 0.00 C ATOM 0 H LEU A 14 8.340 0.394 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 14 9.848 -1.832 -8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.705 0.194 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.366 1.108 -7.673 1.00 0.00 H new ATOM 0 HG LEU A 14 11.961 -0.272 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.447 -1.849 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.746 -2.368 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.499 -1.638 -9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.021 0.566 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.111 0.936 -8.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.736 1.796 -7.429 1.00 0.00 H new ATOM 198 N LEU A 15 8.552 0.035 -5.669 1.00 0.00 N ATOM 199 CA LEU A 15 8.222 0.059 -4.254 1.00 0.00 C ATOM 200 C LEU A 15 7.482 -1.229 -3.886 1.00 0.00 C ATOM 201 O LEU A 15 7.943 -1.994 -3.040 1.00 0.00 O ATOM 202 CB LEU A 15 7.450 1.333 -3.904 1.00 0.00 C ATOM 203 CG LEU A 15 6.815 1.372 -2.513 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.877 1.241 -1.421 1.00 0.00 C ATOM 205 CD2 LEU A 15 5.961 2.629 -2.335 1.00 0.00 C ATOM 0 H LEU A 15 8.214 0.838 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 15 9.130 0.090 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.128 2.182 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.663 1.472 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 15 6.149 0.514 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.398 1.272 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.404 0.294 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.587 2.064 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.521 2.632 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.586 3.514 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.167 2.638 -3.082 1.00 0.00 H new ATOM 217 N PHE A 16 6.347 -1.429 -4.539 1.00 0.00 N ATOM 218 CA PHE A 16 5.539 -2.611 -4.291 1.00 0.00 C ATOM 219 C PHE A 16 6.348 -3.888 -4.528 1.00 0.00 C ATOM 220 O PHE A 16 6.472 -4.723 -3.634 1.00 0.00 O ATOM 221 CB PHE A 16 4.372 -2.570 -5.279 1.00 0.00 C ATOM 222 CG PHE A 16 3.330 -1.493 -4.967 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.566 -0.584 -3.984 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.169 -1.445 -5.674 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.599 0.415 -3.694 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.203 -0.446 -5.385 1.00 0.00 C ATOM 227 CZ PHE A 16 1.438 0.463 -4.401 1.00 0.00 C ATOM 0 H PHE A 16 5.968 -0.792 -5.240 1.00 0.00 H new ATOM 0 HA PHE A 16 5.196 -2.617 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.764 -2.402 -6.282 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.882 -3.544 -5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.489 -0.622 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.982 -2.167 -6.455 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.786 1.136 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.281 -0.408 -5.947 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.703 1.223 -4.181 1.00 0.00 H new ATOM 237 N ASN A 17 6.877 -3.998 -5.738 1.00 0.00 N ATOM 238 CA ASN A 17 7.671 -5.159 -6.104 1.00 0.00 C ATOM 239 C ASN A 17 8.774 -5.367 -5.063 1.00 0.00 C ATOM 240 O ASN A 17 8.968 -6.478 -4.573 1.00 0.00 O ATOM 241 CB ASN A 17 8.338 -4.963 -7.467 1.00 0.00 C ATOM 242 CG ASN A 17 7.329 -5.146 -8.602 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.294 -4.502 -8.657 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.686 -6.058 -9.502 1.00 0.00 N ATOM 0 H ASN A 17 6.771 -3.303 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 17 7.006 -6.021 -6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.776 -3.966 -7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.154 -5.676 -7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.079 -6.254 -10.298 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.567 -6.562 -9.396 1.00 0.00 H new ATOM 251 N THR A 18 9.466 -4.280 -4.758 1.00 0.00 N ATOM 252 CA THR A 18 10.544 -4.328 -3.785 1.00 0.00 C ATOM 253 C THR A 18 10.018 -4.805 -2.429 1.00 0.00 C ATOM 254 O THR A 18 10.534 -5.767 -1.862 1.00 0.00 O ATOM 255 CB THR A 18 11.196 -2.945 -3.731 1.00 0.00 C ATOM 256 OG1 THR A 18 11.814 -2.803 -5.008 1.00 0.00 O ATOM 257 CG2 THR A 18 12.363 -2.886 -2.744 1.00 0.00 C ATOM 0 H THR A 18 9.301 -3.360 -5.167 1.00 0.00 H new ATOM 0 HA THR A 18 11.306 -5.051 -4.076 1.00 0.00 H new ATOM 0 HB THR A 18 10.448 -2.202 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.239 -2.265 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.790 -1.883 -2.745 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.006 -3.128 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.127 -3.605 -3.040 1.00 0.00 H new ATOM 265 N ARG A 19 8.998 -4.109 -1.949 1.00 0.00 N ATOM 266 CA ARG A 19 8.397 -4.448 -0.670 1.00 0.00 C ATOM 267 C ARG A 19 8.074 -5.943 -0.616 1.00 0.00 C ATOM 268 O ARG A 19 8.370 -6.610 0.375 1.00 0.00 O ATOM 269 CB ARG A 19 7.114 -3.648 -0.436 1.00 0.00 C ATOM 270 CG ARG A 19 7.429 -2.179 -0.149 1.00 0.00 C ATOM 271 CD ARG A 19 7.959 -2.000 1.275 1.00 0.00 C ATOM 272 NE ARG A 19 8.586 -0.666 1.418 1.00 0.00 N ATOM 273 CZ ARG A 19 9.769 -0.331 0.885 1.00 0.00 C ATOM 274 NH1 ARG A 19 10.461 -1.230 0.171 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.260 0.902 1.066 1.00 0.00 N ATOM 0 H ARG A 19 8.573 -3.312 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 19 9.115 -4.199 0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.471 -3.721 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.562 -4.076 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.167 -1.815 -0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.530 -1.577 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.144 -2.107 1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.687 -2.779 1.502 1.00 0.00 H new ATOM 0 HE ARG A 19 8.086 0.042 1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.087 -2.169 0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.361 -0.975 -0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.733 1.586 1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.160 1.157 0.660 1.00 0.00 H new ATOM 289 N TYR A 20 7.473 -6.426 -1.693 1.00 0.00 N ATOM 290 CA TYR A 20 7.107 -7.829 -1.781 1.00 0.00 C ATOM 291 C TYR A 20 8.305 -8.728 -1.468 1.00 0.00 C ATOM 292 O TYR A 20 8.180 -9.699 -0.723 1.00 0.00 O ATOM 293 CB TYR A 20 6.673 -8.063 -3.229 1.00 0.00 C ATOM 294 CG TYR A 20 5.990 -9.411 -3.464 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.885 -9.765 -2.716 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.477 -10.274 -4.424 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.242 -11.034 -2.937 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.834 -11.543 -4.646 1.00 0.00 C ATOM 299 CZ TYR A 20 4.748 -11.861 -3.891 1.00 0.00 C ATOM 300 OH TYR A 20 4.140 -13.059 -4.100 1.00 0.00 O ATOM 0 H TYR A 20 7.230 -5.870 -2.513 1.00 0.00 H new ATOM 0 HA TYR A 20 6.319 -8.065 -1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.992 -7.266 -3.527 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.548 -7.993 -3.875 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.503 -9.090 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.341 -9.997 -5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.377 -11.323 -2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.205 -12.227 -5.395 1.00 0.00 H new ATOM 0 HH TYR A 20 4.608 -13.544 -4.811 1.00 0.00 H new ATOM 310 N ALA A 21 9.439 -8.374 -2.055 1.00 0.00 N ATOM 311 CA ALA A 21 10.659 -9.136 -1.849 1.00 0.00 C ATOM 312 C ALA A 21 10.852 -9.386 -0.352 1.00 0.00 C ATOM 313 O ALA A 21 11.108 -10.515 0.065 1.00 0.00 O ATOM 314 CB ALA A 21 11.840 -8.389 -2.472 1.00 0.00 C ATOM 0 H ALA A 21 9.539 -7.569 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 21 10.592 -10.107 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.755 -8.961 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.668 -8.263 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.940 -7.410 -2.002 1.00 0.00 H new ATOM 320 N LYS A 22 10.722 -8.315 0.417 1.00 0.00 N ATOM 321 CA LYS A 22 10.879 -8.404 1.858 1.00 0.00 C ATOM 322 C LYS A 22 9.846 -9.383 2.420 1.00 0.00 C ATOM 323 O LYS A 22 10.079 -10.013 3.450 1.00 0.00 O ATOM 324 CB LYS A 22 10.814 -7.012 2.491 1.00 0.00 C ATOM 325 CG LYS A 22 11.286 -7.049 3.946 1.00 0.00 C ATOM 326 CD LYS A 22 11.397 -5.637 4.523 1.00 0.00 C ATOM 327 CE LYS A 22 12.277 -5.623 5.775 1.00 0.00 C ATOM 328 NZ LYS A 22 13.663 -5.238 5.429 1.00 0.00 N ATOM 0 H LYS A 22 10.509 -7.380 0.068 1.00 0.00 H new ATOM 0 HA LYS A 22 11.863 -8.799 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.434 -6.320 1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.792 -6.635 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.588 -7.636 4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.254 -7.547 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.815 -4.966 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.404 -5.262 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.870 -4.923 6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.272 -6.608 6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.247 -5.233 6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.054 -5.921 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.664 -4.288 5.005 1.00 0.00 H new ATOM 342 N ALA A 23 8.727 -9.480 1.718 1.00 0.00 N ATOM 343 CA ALA A 23 7.658 -10.372 2.133 1.00 0.00 C ATOM 344 C ALA A 23 8.053 -11.816 1.818 1.00 0.00 C ATOM 345 O ALA A 23 7.471 -12.755 2.360 1.00 0.00 O ATOM 346 CB ALA A 23 6.354 -9.961 1.446 1.00 0.00 C ATOM 0 H ALA A 23 8.537 -8.955 0.864 1.00 0.00 H new ATOM 0 HA ALA A 23 7.496 -10.302 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.552 -10.630 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.102 -8.938 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.478 -10.021 0.365 1.00 0.00 H new ATOM 352 N ILE A 24 9.039 -11.949 0.943 1.00 0.00 N ATOM 353 CA ILE A 24 9.519 -13.263 0.550 1.00 0.00 C ATOM 354 C ILE A 24 10.976 -13.421 0.986 1.00 0.00 C ATOM 355 O ILE A 24 11.606 -14.438 0.702 1.00 0.00 O ATOM 356 CB ILE A 24 9.297 -13.488 -0.947 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.841 -12.314 -1.765 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.822 -13.761 -1.249 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.837 -12.638 -3.260 1.00 0.00 C ATOM 0 H ILE A 24 9.519 -11.168 0.495 1.00 0.00 H new ATOM 0 HA ILE A 24 8.949 -14.043 1.055 1.00 0.00 H new ATOM 0 HB ILE A 24 9.856 -14.375 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.236 -11.426 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.856 -12.081 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.693 -13.917 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.499 -14.652 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.222 -12.908 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.228 -11.787 -3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.462 -13.511 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.817 -12.847 -3.584 1.00 0.00 H new ATOM 371 N GLY A 25 11.470 -12.398 1.669 1.00 0.00 N ATOM 372 CA GLY A 25 12.842 -12.411 2.148 1.00 0.00 C ATOM 373 C GLY A 25 13.828 -12.247 0.990 1.00 0.00 C ATOM 374 O GLY A 25 14.948 -12.752 1.046 1.00 0.00 O ATOM 0 H GLY A 25 10.945 -11.555 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.987 -11.607 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.040 -13.347 2.669 1.00 0.00 H new ATOM 378 N ILE A 26 13.376 -11.537 -0.034 1.00 0.00 N ATOM 379 CA ILE A 26 14.205 -11.300 -1.204 1.00 0.00 C ATOM 380 C ILE A 26 14.839 -9.911 -1.101 1.00 0.00 C ATOM 381 O ILE A 26 14.300 -9.026 -0.439 1.00 0.00 O ATOM 382 CB ILE A 26 13.396 -11.513 -2.485 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.137 -13.001 -2.729 1.00 0.00 C ATOM 384 CG2 ILE A 26 14.079 -10.847 -3.682 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.991 -13.295 -4.223 1.00 0.00 C ATOM 0 H ILE A 26 12.447 -11.118 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 26 15.021 -12.021 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 26 12.425 -11.033 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.958 -13.589 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.232 -13.307 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.484 -11.013 -4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.169 -9.776 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.071 -11.277 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.808 -14.360 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.154 -12.724 -4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.907 -13.011 -4.741 1.00 0.00 H new ATOM 397 N SER A 27 15.975 -9.764 -1.767 1.00 0.00 N ATOM 398 CA SER A 27 16.689 -8.499 -1.758 1.00 0.00 C ATOM 399 C SER A 27 16.258 -7.647 -2.954 1.00 0.00 C ATOM 400 O SER A 27 16.167 -6.425 -2.850 1.00 0.00 O ATOM 401 CB SER A 27 18.203 -8.719 -1.782 1.00 0.00 C ATOM 402 OG SER A 27 18.560 -9.891 -2.511 1.00 0.00 O ATOM 0 H SER A 27 16.418 -10.500 -2.316 1.00 0.00 H new ATOM 0 HA SER A 27 16.441 -7.973 -0.836 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.688 -7.852 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.574 -8.800 -0.760 1.00 0.00 H new ATOM 0 HG SER A 27 18.781 -9.647 -3.434 1.00 0.00 H new ATOM 408 N GLU A 28 16.004 -8.327 -4.063 1.00 0.00 N ATOM 409 CA GLU A 28 15.585 -7.648 -5.277 1.00 0.00 C ATOM 410 C GLU A 28 14.058 -7.559 -5.336 1.00 0.00 C ATOM 411 O GLU A 28 13.364 -8.243 -4.586 1.00 0.00 O ATOM 412 CB GLU A 28 16.141 -8.350 -6.518 1.00 0.00 C ATOM 413 CG GLU A 28 17.453 -9.070 -6.198 1.00 0.00 C ATOM 414 CD GLU A 28 18.450 -8.121 -5.531 1.00 0.00 C ATOM 415 OE1 GLU A 28 18.858 -7.155 -6.211 1.00 0.00 O ATOM 416 OE2 GLU A 28 18.784 -8.384 -4.355 1.00 0.00 O ATOM 0 H GLU A 28 16.080 -9.341 -4.146 1.00 0.00 H new ATOM 0 HA GLU A 28 15.988 -6.636 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.410 -9.067 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.306 -7.620 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 28 17.256 -9.917 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 28 17.885 -9.471 -7.115 1.00 0.00 H new ATOM 423 N PRO A 29 13.568 -6.688 -6.259 1.00 0.00 N ATOM 424 CA PRO A 29 12.137 -6.501 -6.425 1.00 0.00 C ATOM 425 C PRO A 29 11.511 -7.687 -7.161 1.00 0.00 C ATOM 426 O PRO A 29 12.073 -8.183 -8.137 1.00 0.00 O ATOM 427 CB PRO A 29 11.997 -5.191 -7.183 1.00 0.00 C ATOM 428 CG PRO A 29 13.354 -4.929 -7.817 1.00 0.00 C ATOM 429 CD PRO A 29 14.361 -5.862 -7.164 1.00 0.00 C ATOM 0 HA PRO A 29 11.606 -6.455 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.218 -5.260 -7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.716 -4.379 -6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.313 -5.103 -8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.648 -3.889 -7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.876 -6.471 -7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.125 -5.304 -6.623 1.00 0.00 H new ATOM 437 N VAL A 30 10.356 -8.107 -6.666 1.00 0.00 N ATOM 438 CA VAL A 30 9.648 -9.226 -7.264 1.00 0.00 C ATOM 439 C VAL A 30 8.232 -8.784 -7.641 1.00 0.00 C ATOM 440 O VAL A 30 7.767 -7.734 -7.199 1.00 0.00 O ATOM 441 CB VAL A 30 9.668 -10.426 -6.316 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.720 -11.524 -6.801 1.00 0.00 C ATOM 443 CG2 VAL A 30 11.089 -10.965 -6.144 1.00 0.00 C ATOM 0 H VAL A 30 9.893 -7.692 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 30 10.144 -9.546 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 30 9.318 -10.088 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.754 -12.365 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.704 -11.133 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.026 -11.857 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.075 -11.818 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.479 -11.278 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.727 -10.183 -5.732 1.00 0.00 H new ATOM 453 N LYS A 31 7.585 -9.609 -8.452 1.00 0.00 N ATOM 454 CA LYS A 31 6.232 -9.317 -8.892 1.00 0.00 C ATOM 455 C LYS A 31 5.282 -9.402 -7.696 1.00 0.00 C ATOM 456 O LYS A 31 5.503 -10.189 -6.777 1.00 0.00 O ATOM 457 CB LYS A 31 5.839 -10.228 -10.056 1.00 0.00 C ATOM 458 CG LYS A 31 6.655 -9.901 -11.309 1.00 0.00 C ATOM 459 CD LYS A 31 6.107 -10.643 -12.529 1.00 0.00 C ATOM 460 CE LYS A 31 7.087 -11.718 -13.003 1.00 0.00 C ATOM 461 NZ LYS A 31 7.170 -11.730 -14.481 1.00 0.00 N ATOM 0 H LYS A 31 7.973 -10.479 -8.815 1.00 0.00 H new ATOM 0 HA LYS A 31 6.168 -8.300 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.997 -11.270 -9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.776 -10.113 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.632 -8.827 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.698 -10.175 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.150 -11.102 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.920 -9.935 -13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.074 -11.531 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.766 -12.695 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.839 -12.465 -14.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.231 -11.931 -14.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.498 -10.802 -14.818 1.00 0.00 H new ATOM 475 N VAL A 32 4.243 -8.581 -7.747 1.00 0.00 N ATOM 476 CA VAL A 32 3.258 -8.554 -6.679 1.00 0.00 C ATOM 477 C VAL A 32 1.932 -9.113 -7.199 1.00 0.00 C ATOM 478 O VAL A 32 1.329 -8.546 -8.108 1.00 0.00 O ATOM 479 CB VAL A 32 3.130 -7.135 -6.121 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.770 -6.930 -5.451 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.271 -6.822 -5.152 1.00 0.00 C ATOM 0 H VAL A 32 4.062 -7.930 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 32 3.576 -9.188 -5.851 1.00 0.00 H new ATOM 0 HB VAL A 32 3.200 -6.439 -6.957 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.705 -5.913 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.977 -7.091 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.658 -7.639 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.156 -5.808 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.247 -7.527 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.225 -6.908 -5.673 1.00 0.00 H new ATOM 491 N PRO A 33 1.507 -10.249 -6.584 1.00 0.00 N ATOM 492 CA PRO A 33 0.264 -10.892 -6.976 1.00 0.00 C ATOM 493 C PRO A 33 -0.944 -10.114 -6.451 1.00 0.00 C ATOM 494 O PRO A 33 -1.683 -10.608 -5.600 1.00 0.00 O ATOM 495 CB PRO A 33 0.355 -12.301 -6.411 1.00 0.00 C ATOM 496 CG PRO A 33 1.428 -12.250 -5.336 1.00 0.00 C ATOM 497 CD PRO A 33 2.196 -10.950 -5.504 1.00 0.00 C ATOM 0 HA PRO A 33 0.126 -10.919 -8.057 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.601 -12.617 -5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.616 -13.018 -7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.978 -12.302 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.099 -13.104 -5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.189 -10.365 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.240 -11.137 -5.756 1.00 0.00 H new ATOM 505 N TYR A 34 -1.108 -8.911 -6.980 1.00 0.00 N ATOM 506 CA TYR A 34 -2.214 -8.060 -6.575 1.00 0.00 C ATOM 507 C TYR A 34 -3.470 -8.889 -6.295 1.00 0.00 C ATOM 508 O TYR A 34 -4.029 -8.824 -5.202 1.00 0.00 O ATOM 509 CB TYR A 34 -2.486 -7.130 -7.759 1.00 0.00 C ATOM 510 CG TYR A 34 -1.361 -6.129 -8.035 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.663 -5.569 -6.985 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.045 -5.788 -9.335 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.395 -4.628 -7.245 1.00 0.00 C ATOM 514 CE2 TYR A 34 0.014 -4.847 -9.594 1.00 0.00 C ATOM 515 CZ TYR A 34 0.681 -4.313 -8.537 1.00 0.00 C ATOM 516 OH TYR A 34 1.681 -3.424 -8.782 1.00 0.00 O ATOM 0 H TYR A 34 -0.494 -8.505 -7.686 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.966 -7.516 -5.664 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.649 -7.733 -8.652 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.409 -6.581 -7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.910 -5.836 -5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.591 -6.227 -10.157 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.949 -4.182 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.272 -4.572 -10.606 1.00 0.00 H new ATOM 0 HH TYR A 34 1.775 -3.295 -9.749 1.00 0.00 H new ATOM 526 N SER A 35 -3.875 -9.649 -7.302 1.00 0.00 N ATOM 527 CA SER A 35 -5.054 -10.489 -7.177 1.00 0.00 C ATOM 528 C SER A 35 -5.053 -11.193 -5.819 1.00 0.00 C ATOM 529 O SER A 35 -6.004 -11.065 -5.050 1.00 0.00 O ATOM 530 CB SER A 35 -5.118 -11.518 -8.308 1.00 0.00 C ATOM 531 OG SER A 35 -4.767 -10.950 -9.567 1.00 0.00 O ATOM 0 H SER A 35 -3.408 -9.701 -8.207 1.00 0.00 H new ATOM 0 HA SER A 35 -5.937 -9.854 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.445 -12.346 -8.084 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.125 -11.932 -8.365 1.00 0.00 H new ATOM 0 HG SER A 35 -4.818 -11.639 -10.262 1.00 0.00 H new ATOM 537 N LYS A 36 -3.976 -11.921 -5.566 1.00 0.00 N ATOM 538 CA LYS A 36 -3.840 -12.646 -4.313 1.00 0.00 C ATOM 539 C LYS A 36 -4.211 -11.722 -3.152 1.00 0.00 C ATOM 540 O LYS A 36 -4.909 -12.132 -2.226 1.00 0.00 O ATOM 541 CB LYS A 36 -2.440 -13.251 -4.194 1.00 0.00 C ATOM 542 CG LYS A 36 -2.176 -14.250 -5.323 1.00 0.00 C ATOM 543 CD LYS A 36 -2.973 -15.538 -5.112 1.00 0.00 C ATOM 544 CE LYS A 36 -3.005 -16.379 -6.390 1.00 0.00 C ATOM 545 NZ LYS A 36 -4.392 -16.788 -6.707 1.00 0.00 N ATOM 0 H LYS A 36 -3.189 -12.025 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.530 -13.489 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.693 -12.457 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.336 -13.750 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.447 -13.803 -6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.112 -14.480 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.528 -16.117 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.991 -15.294 -4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.590 -15.807 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.378 -17.262 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.396 -17.358 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.776 -17.352 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.981 -15.942 -6.845 1.00 0.00 H new ATOM 559 N PHE A 37 -3.728 -10.491 -3.239 1.00 0.00 N ATOM 560 CA PHE A 37 -4.000 -9.505 -2.206 1.00 0.00 C ATOM 561 C PHE A 37 -5.416 -8.941 -2.347 1.00 0.00 C ATOM 562 O PHE A 37 -5.996 -8.460 -1.375 1.00 0.00 O ATOM 563 CB PHE A 37 -2.991 -8.371 -2.393 1.00 0.00 C ATOM 564 CG PHE A 37 -1.596 -8.683 -1.847 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.780 -9.540 -2.517 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.173 -8.103 -0.692 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.515 -9.829 -2.010 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.121 -8.393 -0.185 1.00 0.00 C ATOM 569 CZ PHE A 37 0.938 -9.250 -0.855 1.00 0.00 C ATOM 0 H PHE A 37 -3.150 -10.154 -4.009 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.917 -9.965 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.911 -8.141 -3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.371 -7.476 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.116 -10.001 -3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.821 -7.422 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.164 -10.509 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.457 -7.933 0.733 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.922 -9.470 -0.469 1.00 0.00 H new ATOM 579 N LEU A 38 -5.931 -9.018 -3.565 1.00 0.00 N ATOM 580 CA LEU A 38 -7.267 -8.521 -3.846 1.00 0.00 C ATOM 581 C LEU A 38 -8.299 -9.517 -3.313 1.00 0.00 C ATOM 582 O LEU A 38 -9.186 -9.146 -2.545 1.00 0.00 O ATOM 583 CB LEU A 38 -7.422 -8.213 -5.336 1.00 0.00 C ATOM 584 CG LEU A 38 -6.557 -7.073 -5.879 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.760 -6.901 -7.386 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.818 -5.774 -5.114 1.00 0.00 C ATOM 0 H LEU A 38 -5.447 -9.417 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.439 -7.576 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.192 -9.117 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.467 -7.974 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.510 -7.334 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.134 -6.085 -7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.484 -7.823 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.806 -6.673 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.191 -4.980 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.867 -5.496 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.583 -5.919 -4.060 1.00 0.00 H new ATOM 598 N MET A 39 -8.149 -10.762 -3.741 1.00 0.00 N ATOM 599 CA MET A 39 -9.057 -11.814 -3.317 1.00 0.00 C ATOM 600 C MET A 39 -8.818 -12.187 -1.853 1.00 0.00 C ATOM 601 O MET A 39 -9.703 -12.731 -1.194 1.00 0.00 O ATOM 602 CB MET A 39 -8.857 -13.048 -4.199 1.00 0.00 C ATOM 603 CG MET A 39 -9.092 -12.713 -5.673 1.00 0.00 C ATOM 604 SD MET A 39 -9.131 -14.212 -6.641 1.00 0.00 S ATOM 605 CE MET A 39 -7.399 -14.643 -6.614 1.00 0.00 C ATOM 0 H MET A 39 -7.412 -11.066 -4.377 1.00 0.00 H new ATOM 0 HA MET A 39 -10.079 -11.448 -3.417 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.846 -13.434 -4.067 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.542 -13.837 -3.888 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.032 -12.173 -5.786 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.301 -12.056 -6.036 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.202 -15.406 -7.367 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.800 -13.758 -6.829 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.135 -15.029 -5.629 1.00 0.00 H new ATOM 615 N HIS A 40 -7.616 -11.882 -1.387 1.00 0.00 N ATOM 616 CA HIS A 40 -7.248 -12.179 -0.013 1.00 0.00 C ATOM 617 C HIS A 40 -6.602 -10.947 0.624 1.00 0.00 C ATOM 618 O HIS A 40 -5.415 -10.961 0.947 1.00 0.00 O ATOM 619 CB HIS A 40 -6.354 -13.419 0.055 1.00 0.00 C ATOM 620 CG HIS A 40 -6.881 -14.599 -0.726 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.848 -15.455 -0.229 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.567 -15.054 -1.973 1.00 0.00 C ATOM 623 CE1 HIS A 40 -8.096 -16.382 -1.144 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.301 -16.132 -2.223 1.00 0.00 N ATOM 0 H HIS A 40 -6.884 -11.432 -1.937 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.143 -12.416 0.563 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.363 -13.161 -0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.234 -13.711 1.098 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.844 -14.613 -2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.803 -17.193 -1.051 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.274 -16.683 -3.081 1.00 0.00 H new ATOM 632 N PRO A 41 -7.432 -9.883 0.789 1.00 0.00 N ATOM 633 CA PRO A 41 -6.954 -8.645 1.381 1.00 0.00 C ATOM 634 C PRO A 41 -6.783 -8.791 2.894 1.00 0.00 C ATOM 635 O PRO A 41 -6.235 -7.906 3.549 1.00 0.00 O ATOM 636 CB PRO A 41 -7.990 -7.600 0.998 1.00 0.00 C ATOM 637 CG PRO A 41 -9.238 -8.374 0.606 1.00 0.00 C ATOM 638 CD PRO A 41 -8.844 -9.830 0.418 1.00 0.00 C ATOM 0 HA PRO A 41 -5.967 -8.359 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.193 -6.928 1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.636 -6.984 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.002 -8.282 1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.663 -7.972 -0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.444 -10.487 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.995 -10.151 -0.613 1.00 0.00 H new ATOM 646 N GLU A 42 -7.263 -9.915 3.406 1.00 0.00 N ATOM 647 CA GLU A 42 -7.170 -10.188 4.830 1.00 0.00 C ATOM 648 C GLU A 42 -5.847 -10.885 5.152 1.00 0.00 C ATOM 649 O GLU A 42 -5.140 -10.487 6.077 1.00 0.00 O ATOM 650 CB GLU A 42 -8.360 -11.024 5.307 1.00 0.00 C ATOM 651 CG GLU A 42 -9.509 -10.127 5.773 1.00 0.00 C ATOM 652 CD GLU A 42 -9.998 -10.541 7.162 1.00 0.00 C ATOM 653 OE1 GLU A 42 -10.819 -11.483 7.217 1.00 0.00 O ATOM 654 OE2 GLU A 42 -9.541 -9.907 8.138 1.00 0.00 O ATOM 0 H GLU A 42 -7.717 -10.647 2.860 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.197 -9.238 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.703 -11.670 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.048 -11.675 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.179 -9.088 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.332 -10.185 5.061 1.00 0.00 H new ATOM 661 N GLU A 43 -5.551 -11.914 4.370 1.00 0.00 N ATOM 662 CA GLU A 43 -4.325 -12.670 4.560 1.00 0.00 C ATOM 663 C GLU A 43 -3.142 -11.928 3.935 1.00 0.00 C ATOM 664 O GLU A 43 -2.119 -11.724 4.586 1.00 0.00 O ATOM 665 CB GLU A 43 -4.456 -14.080 3.983 1.00 0.00 C ATOM 666 CG GLU A 43 -5.609 -14.838 4.642 1.00 0.00 C ATOM 667 CD GLU A 43 -5.569 -14.683 6.164 1.00 0.00 C ATOM 668 OE1 GLU A 43 -4.463 -14.849 6.722 1.00 0.00 O ATOM 669 OE2 GLU A 43 -6.645 -14.401 6.734 1.00 0.00 O ATOM 0 H GLU A 43 -6.139 -12.241 3.604 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.143 -12.767 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.622 -14.022 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.525 -14.626 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.559 -14.465 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.552 -15.894 4.379 1.00 0.00 H new ATOM 676 N LEU A 44 -3.321 -11.546 2.679 1.00 0.00 N ATOM 677 CA LEU A 44 -2.281 -10.831 1.959 1.00 0.00 C ATOM 678 C LEU A 44 -2.673 -9.357 1.835 1.00 0.00 C ATOM 679 O LEU A 44 -3.566 -9.011 1.064 1.00 0.00 O ATOM 680 CB LEU A 44 -1.999 -11.507 0.615 1.00 0.00 C ATOM 681 CG LEU A 44 -2.115 -13.033 0.595 1.00 0.00 C ATOM 682 CD1 LEU A 44 -2.022 -13.570 -0.835 1.00 0.00 C ATOM 683 CD2 LEU A 44 -1.075 -13.674 1.516 1.00 0.00 C ATOM 0 H LEU A 44 -4.171 -11.718 2.142 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.342 -10.866 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.688 -11.100 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.992 -11.235 0.298 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.098 -13.306 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.107 -14.657 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.830 -13.150 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.063 -13.286 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.179 -14.759 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.075 -13.395 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.229 -13.325 2.537 1.00 0.00 H new ATOM 695 N PHE A 45 -1.985 -8.529 2.607 1.00 0.00 N ATOM 696 CA PHE A 45 -2.249 -7.100 2.593 1.00 0.00 C ATOM 697 C PHE A 45 -0.956 -6.301 2.765 1.00 0.00 C ATOM 698 O PHE A 45 0.126 -6.878 2.863 1.00 0.00 O ATOM 699 CB PHE A 45 -3.177 -6.806 3.774 1.00 0.00 C ATOM 700 CG PHE A 45 -2.602 -7.211 5.133 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.693 -6.411 5.753 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.000 -8.371 5.721 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.160 -6.787 7.014 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.466 -8.747 6.982 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.558 -7.948 7.602 1.00 0.00 C ATOM 0 H PHE A 45 -1.245 -8.820 3.246 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.697 -6.814 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.402 -5.740 3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.121 -7.329 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.377 -5.490 5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.722 -9.006 5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.439 -6.152 7.507 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.782 -9.668 7.449 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.152 -8.234 8.561 1.00 0.00 H new ATOM 715 N VAL A 46 -1.110 -4.986 2.797 1.00 0.00 N ATOM 716 CA VAL A 46 0.032 -4.102 2.955 1.00 0.00 C ATOM 717 C VAL A 46 -0.233 -3.134 4.110 1.00 0.00 C ATOM 718 O VAL A 46 -1.369 -2.713 4.323 1.00 0.00 O ATOM 719 CB VAL A 46 0.329 -3.389 1.634 1.00 0.00 C ATOM 720 CG1 VAL A 46 1.478 -2.391 1.796 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.631 -4.396 0.523 1.00 0.00 C ATOM 0 H VAL A 46 -2.009 -4.511 2.716 1.00 0.00 H new ATOM 0 HA VAL A 46 0.925 -4.674 3.208 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.562 -2.831 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.669 -1.898 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.209 -1.644 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.376 -2.919 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.839 -3.863 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.499 -4.994 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.229 -5.050 0.381 1.00 0.00 H new ATOM 731 N VAL A 47 0.834 -2.811 4.826 1.00 0.00 N ATOM 732 CA VAL A 47 0.731 -1.901 5.954 1.00 0.00 C ATOM 733 C VAL A 47 1.691 -0.728 5.747 1.00 0.00 C ATOM 734 O VAL A 47 2.706 -0.865 5.066 1.00 0.00 O ATOM 735 CB VAL A 47 0.982 -2.656 7.261 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.183 -3.593 7.586 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.304 -3.425 7.204 1.00 0.00 C ATOM 0 H VAL A 47 1.774 -3.163 4.647 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.276 -1.489 6.021 1.00 0.00 H new ATOM 0 HB VAL A 47 1.055 -1.922 8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.021 -4.117 8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.099 -3.012 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.302 -4.318 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.459 -3.953 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.272 -4.144 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.125 -2.726 7.041 1.00 0.00 H new ATOM 747 N GLY A 48 1.336 0.399 6.348 1.00 0.00 N ATOM 748 CA GLY A 48 2.154 1.595 6.238 1.00 0.00 C ATOM 749 C GLY A 48 1.565 2.569 5.216 1.00 0.00 C ATOM 750 O GLY A 48 1.778 3.777 5.310 1.00 0.00 O ATOM 0 H GLY A 48 0.493 0.509 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.226 2.082 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.167 1.321 5.943 1.00 0.00 H new ATOM 754 N LEU A 49 0.837 2.008 4.262 1.00 0.00 N ATOM 755 CA LEU A 49 0.216 2.812 3.223 1.00 0.00 C ATOM 756 C LEU A 49 -0.413 4.056 3.854 1.00 0.00 C ATOM 757 O LEU A 49 -0.777 4.043 5.029 1.00 0.00 O ATOM 758 CB LEU A 49 -0.769 1.970 2.410 1.00 0.00 C ATOM 759 CG LEU A 49 -0.154 1.067 1.339 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.159 0.014 0.867 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.399 1.893 0.176 1.00 0.00 C ATOM 0 H LEU A 49 0.663 1.006 4.187 1.00 0.00 H new ATOM 0 HA LEU A 49 0.965 3.159 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.339 1.347 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.478 2.642 1.927 1.00 0.00 H new ATOM 0 HG LEU A 49 0.687 0.534 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.697 -0.615 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.463 -0.603 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.034 0.509 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.830 1.227 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.407 2.471 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.169 2.571 0.545 1.00 0.00 H new ATOM 773 N PRO A 50 -0.524 5.128 3.025 1.00 0.00 N ATOM 774 CA PRO A 50 -1.103 6.377 3.490 1.00 0.00 C ATOM 775 C PRO A 50 -2.625 6.266 3.607 1.00 0.00 C ATOM 776 O PRO A 50 -3.211 5.265 3.197 1.00 0.00 O ATOM 777 CB PRO A 50 -0.660 7.418 2.475 1.00 0.00 C ATOM 778 CG PRO A 50 -0.243 6.641 1.236 1.00 0.00 C ATOM 779 CD PRO A 50 -0.103 5.179 1.628 1.00 0.00 C ATOM 0 HA PRO A 50 -0.768 6.649 4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.470 8.111 2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.169 8.012 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.985 6.755 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.700 7.023 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.727 4.540 1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.924 4.834 1.511 1.00 0.00 H new ATOM 787 N GLU A 51 -3.221 7.308 4.167 1.00 0.00 N ATOM 788 CA GLU A 51 -4.662 7.340 4.344 1.00 0.00 C ATOM 789 C GLU A 51 -5.359 7.494 2.990 1.00 0.00 C ATOM 790 O GLU A 51 -4.895 8.241 2.130 1.00 0.00 O ATOM 791 CB GLU A 51 -5.073 8.460 5.302 1.00 0.00 C ATOM 792 CG GLU A 51 -6.464 8.201 5.884 1.00 0.00 C ATOM 793 CD GLU A 51 -7.549 8.841 5.016 1.00 0.00 C ATOM 794 OE1 GLU A 51 -7.476 10.075 4.835 1.00 0.00 O ATOM 795 OE2 GLU A 51 -8.428 8.081 4.554 1.00 0.00 O ATOM 0 H GLU A 51 -2.732 8.137 4.504 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.975 6.395 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.346 8.537 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.067 9.414 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.638 7.127 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.519 8.602 6.896 1.00 0.00 H new ATOM 802 N GLY A 52 -6.462 6.775 2.843 1.00 0.00 N ATOM 803 CA GLY A 52 -7.228 6.823 1.609 1.00 0.00 C ATOM 804 C GLY A 52 -6.464 6.154 0.464 1.00 0.00 C ATOM 805 O GLY A 52 -6.625 6.528 -0.696 1.00 0.00 O ATOM 0 H GLY A 52 -6.844 6.156 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.187 6.324 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.444 7.860 1.350 1.00 0.00 H new ATOM 809 N ILE A 53 -5.650 5.175 0.831 1.00 0.00 N ATOM 810 CA ILE A 53 -4.862 4.450 -0.150 1.00 0.00 C ATOM 811 C ILE A 53 -4.671 3.007 0.321 1.00 0.00 C ATOM 812 O ILE A 53 -4.507 2.756 1.514 1.00 0.00 O ATOM 813 CB ILE A 53 -3.549 5.184 -0.431 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.805 6.653 -0.775 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.745 4.472 -1.521 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.528 7.329 -1.277 1.00 0.00 C ATOM 0 H ILE A 53 -5.519 4.867 1.795 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.387 4.407 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.947 5.166 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.581 6.722 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.176 7.177 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.817 5.014 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.515 3.456 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.329 4.438 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.738 8.372 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.762 7.280 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.173 6.818 -2.172 1.00 0.00 H new ATOM 828 N SER A 54 -4.698 2.095 -0.641 1.00 0.00 N ATOM 829 CA SER A 54 -4.530 0.684 -0.339 1.00 0.00 C ATOM 830 C SER A 54 -3.599 0.037 -1.367 1.00 0.00 C ATOM 831 O SER A 54 -2.725 0.700 -1.923 1.00 0.00 O ATOM 832 CB SER A 54 -5.878 -0.039 -0.315 1.00 0.00 C ATOM 833 OG SER A 54 -5.909 -1.079 0.658 1.00 0.00 O ATOM 0 H SER A 54 -4.834 2.306 -1.630 1.00 0.00 H new ATOM 0 HA SER A 54 -4.084 0.597 0.652 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.671 0.679 -0.104 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.082 -0.458 -1.300 1.00 0.00 H new ATOM 0 HG SER A 54 -6.787 -1.515 0.643 1.00 0.00 H new ATOM 839 N LEU A 55 -3.818 -1.251 -1.588 1.00 0.00 N ATOM 840 CA LEU A 55 -3.010 -1.995 -2.539 1.00 0.00 C ATOM 841 C LEU A 55 -3.786 -2.152 -3.848 1.00 0.00 C ATOM 842 O LEU A 55 -4.854 -2.762 -3.872 1.00 0.00 O ATOM 843 CB LEU A 55 -2.555 -3.323 -1.931 1.00 0.00 C ATOM 844 CG LEU A 55 -1.567 -4.140 -2.767 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.260 -3.372 -2.977 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.329 -5.517 -2.144 1.00 0.00 C ATOM 0 H LEU A 55 -4.543 -1.798 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.097 -1.448 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.099 -3.119 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.437 -3.936 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.006 -4.304 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.424 -3.975 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.467 -2.436 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.195 -3.157 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.623 -6.077 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.921 -5.397 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.273 -6.060 -2.090 1.00 0.00 H new ATOM 858 N ARG A 56 -3.219 -1.592 -4.906 1.00 0.00 N ATOM 859 CA ARG A 56 -3.844 -1.662 -6.216 1.00 0.00 C ATOM 860 C ARG A 56 -2.855 -1.226 -7.300 1.00 0.00 C ATOM 861 O ARG A 56 -1.806 -0.660 -6.997 1.00 0.00 O ATOM 862 CB ARG A 56 -5.086 -0.772 -6.281 1.00 0.00 C ATOM 863 CG ARG A 56 -6.280 -1.447 -5.603 1.00 0.00 C ATOM 864 CD ARG A 56 -7.591 -1.065 -6.294 1.00 0.00 C ATOM 865 NE ARG A 56 -8.651 -2.036 -5.941 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.953 -1.855 -6.202 1.00 0.00 C ATOM 867 NH1 ARG A 56 -10.363 -0.740 -6.821 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.844 -2.790 -5.844 1.00 0.00 N ATOM 0 H ARG A 56 -2.333 -1.087 -4.883 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.143 -2.696 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.880 0.182 -5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.329 -0.555 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.153 -2.529 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.320 -1.155 -4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.891 -0.061 -5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.450 -1.045 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.373 -2.897 -5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.684 -0.029 -7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.354 -0.602 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.531 -3.639 -5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.835 -2.653 -6.042 1.00 0.00 H new ATOM 882 N ARG A 57 -3.226 -1.506 -8.541 1.00 0.00 N ATOM 883 CA ARG A 57 -2.385 -1.150 -9.671 1.00 0.00 C ATOM 884 C ARG A 57 -1.975 0.321 -9.585 1.00 0.00 C ATOM 885 O ARG A 57 -2.805 1.186 -9.309 1.00 0.00 O ATOM 886 CB ARG A 57 -3.111 -1.394 -10.996 1.00 0.00 C ATOM 887 CG ARG A 57 -2.469 -2.548 -11.768 1.00 0.00 C ATOM 888 CD ARG A 57 -3.340 -2.965 -12.955 1.00 0.00 C ATOM 889 NE ARG A 57 -2.514 -3.062 -14.179 1.00 0.00 N ATOM 890 CZ ARG A 57 -3.016 -3.168 -15.417 1.00 0.00 C ATOM 891 NH1 ARG A 57 -4.343 -3.193 -15.603 1.00 0.00 N ATOM 892 NH2 ARG A 57 -2.191 -3.250 -16.470 1.00 0.00 N ATOM 0 H ARG A 57 -4.097 -1.975 -8.788 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.497 -1.781 -9.635 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.160 -1.619 -10.804 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.085 -0.488 -11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.483 -2.249 -12.123 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.323 -3.399 -11.103 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.814 -3.925 -12.749 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.140 -2.239 -13.103 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.500 -3.047 -14.074 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.972 -3.131 -14.802 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.724 -3.274 -16.546 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.181 -3.232 -16.329 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.573 -3.331 -17.412 1.00 0.00 H new ATOM 906 N PRO A 58 -0.661 0.567 -9.834 1.00 0.00 N ATOM 907 CA PRO A 58 -0.131 1.919 -9.787 1.00 0.00 C ATOM 908 C PRO A 58 -0.549 2.715 -11.025 1.00 0.00 C ATOM 909 O PRO A 58 0.298 3.240 -11.746 1.00 0.00 O ATOM 910 CB PRO A 58 1.375 1.748 -9.672 1.00 0.00 C ATOM 911 CG PRO A 58 1.669 0.327 -10.125 1.00 0.00 C ATOM 912 CD PRO A 58 0.352 -0.431 -10.164 1.00 0.00 C ATOM 0 HA PRO A 58 -0.519 2.493 -8.946 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.899 2.473 -10.295 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.709 1.908 -8.647 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.138 0.329 -11.109 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.367 -0.155 -9.441 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.174 -0.865 -11.148 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.347 -1.252 -9.447 1.00 0.00 H new ATOM 920 N ASN A 59 -1.856 2.780 -11.234 1.00 0.00 N ATOM 921 CA ASN A 59 -2.397 3.503 -12.372 1.00 0.00 C ATOM 922 C ASN A 59 -3.729 4.144 -11.977 1.00 0.00 C ATOM 923 O ASN A 59 -3.962 5.320 -12.251 1.00 0.00 O ATOM 924 CB ASN A 59 -2.656 2.561 -13.550 1.00 0.00 C ATOM 925 CG ASN A 59 -3.348 3.298 -14.699 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.667 4.473 -14.614 1.00 0.00 O ATOM 927 ND2 ASN A 59 -3.561 2.545 -15.774 1.00 0.00 N ATOM 0 H ASN A 59 -2.556 2.344 -10.634 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.670 4.259 -12.668 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.713 2.141 -13.899 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.276 1.726 -13.223 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.017 2.945 -16.594 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.269 1.568 -15.778 1.00 0.00 H new ATOM 934 N CYS A 60 -4.569 3.342 -11.339 1.00 0.00 N ATOM 935 CA CYS A 60 -5.872 3.816 -10.904 1.00 0.00 C ATOM 936 C CYS A 60 -5.661 5.009 -9.969 1.00 0.00 C ATOM 937 O CYS A 60 -6.450 5.953 -9.975 1.00 0.00 O ATOM 938 CB CYS A 60 -6.684 2.704 -10.237 1.00 0.00 C ATOM 939 SG CYS A 60 -8.389 3.285 -9.910 1.00 0.00 S ATOM 0 H CYS A 60 -4.373 2.367 -11.113 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.455 4.132 -11.769 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.708 1.824 -10.880 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.208 2.404 -9.304 1.00 0.00 H new ATOM 0 HG CYS A 60 -9.071 2.333 -9.345 1.00 0.00 H new ATOM 945 N PHE A 61 -4.593 4.927 -9.189 1.00 0.00 N ATOM 946 CA PHE A 61 -4.269 5.988 -8.251 1.00 0.00 C ATOM 947 C PHE A 61 -3.910 7.280 -8.988 1.00 0.00 C ATOM 948 O PHE A 61 -3.646 7.261 -10.189 1.00 0.00 O ATOM 949 CB PHE A 61 -3.055 5.519 -7.447 1.00 0.00 C ATOM 950 CG PHE A 61 -3.345 4.344 -6.511 1.00 0.00 C ATOM 951 CD1 PHE A 61 -3.863 4.572 -5.274 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.085 3.072 -6.915 1.00 0.00 C ATOM 953 CE1 PHE A 61 -4.133 3.481 -4.405 1.00 0.00 C ATOM 954 CE2 PHE A 61 -3.354 1.981 -6.046 1.00 0.00 C ATOM 955 CZ PHE A 61 -3.872 2.209 -4.810 1.00 0.00 C ATOM 0 H PHE A 61 -3.941 4.142 -9.188 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.127 6.193 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.263 5.232 -8.139 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.677 6.355 -6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.069 5.582 -4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.674 2.891 -7.897 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.545 3.662 -3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.147 0.971 -6.367 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.076 1.380 -4.149 1.00 0.00 H new ATOM 965 N GLY A 62 -3.910 8.372 -8.236 1.00 0.00 N ATOM 966 CA GLY A 62 -3.587 9.670 -8.803 1.00 0.00 C ATOM 967 C GLY A 62 -2.170 10.099 -8.418 1.00 0.00 C ATOM 968 O GLY A 62 -1.638 9.656 -7.401 1.00 0.00 O ATOM 0 H GLY A 62 -4.128 8.384 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.676 9.629 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.304 10.413 -8.452 1.00 0.00 H new ATOM 972 N ILE A 63 -1.599 10.958 -9.250 1.00 0.00 N ATOM 973 CA ILE A 63 -0.254 11.452 -9.009 1.00 0.00 C ATOM 974 C ILE A 63 -0.071 11.711 -7.513 1.00 0.00 C ATOM 975 O ILE A 63 0.840 11.166 -6.891 1.00 0.00 O ATOM 976 CB ILE A 63 0.033 12.673 -9.885 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.506 12.251 -11.277 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.027 13.615 -9.203 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.588 12.483 -12.322 1.00 0.00 C ATOM 0 H ILE A 63 -2.043 11.324 -10.092 1.00 0.00 H new ATOM 0 HA ILE A 63 0.484 10.703 -9.295 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.897 13.226 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.398 12.815 -11.548 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.786 11.198 -11.266 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.214 14.475 -9.847 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.613 13.955 -8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.963 13.087 -9.022 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.226 12.175 -13.303 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.470 11.899 -12.061 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.848 13.541 -12.348 1.00 0.00 H new ATOM 991 N ALA A 64 -0.951 12.544 -6.977 1.00 0.00 N ATOM 992 CA ALA A 64 -0.898 12.883 -5.565 1.00 0.00 C ATOM 993 C ALA A 64 -0.776 11.599 -4.742 1.00 0.00 C ATOM 994 O ALA A 64 0.101 11.487 -3.887 1.00 0.00 O ATOM 995 CB ALA A 64 -2.135 13.702 -5.189 1.00 0.00 C ATOM 0 H ALA A 64 -1.705 12.994 -7.495 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.024 13.497 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.095 13.956 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.159 14.617 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.033 13.117 -5.388 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.669 10.664 -5.028 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.673 9.392 -4.324 1.00 0.00 C ATOM 1003 C LYS A 65 -0.327 8.695 -4.533 1.00 0.00 C ATOM 1004 O LYS A 65 0.381 8.404 -3.570 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.875 8.547 -4.750 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.188 9.276 -4.457 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.390 8.361 -4.705 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.391 8.447 -3.551 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.773 8.264 -4.050 1.00 0.00 N ATOM 0 H LYS A 65 -2.395 10.761 -5.738 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.788 9.551 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.808 8.324 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.859 7.593 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.195 9.619 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.265 10.162 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.879 8.642 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.050 7.332 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.163 7.685 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.302 9.414 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.440 8.325 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.993 9.007 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.858 7.331 -4.502 1.00 0.00 H new ATOM 1023 N LEU A 66 -0.014 8.448 -5.796 1.00 0.00 N ATOM 1024 CA LEU A 66 1.235 7.791 -6.143 1.00 0.00 C ATOM 1025 C LEU A 66 2.354 8.327 -5.248 1.00 0.00 C ATOM 1026 O LEU A 66 3.071 7.554 -4.614 1.00 0.00 O ATOM 1027 CB LEU A 66 1.520 7.938 -7.639 1.00 0.00 C ATOM 1028 CG LEU A 66 0.555 7.215 -8.580 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.771 7.654 -10.030 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.665 5.698 -8.418 1.00 0.00 C ATOM 0 H LEU A 66 -0.604 8.691 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 66 1.165 6.719 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.512 8.999 -7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.528 7.573 -7.834 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.462 7.495 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.072 7.125 -10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.602 8.728 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.792 7.423 -10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.032 5.208 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.682 5.380 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.423 5.423 -7.391 1.00 0.00 H new ATOM 1042 N ARG A 67 2.469 9.647 -5.224 1.00 0.00 N ATOM 1043 CA ARG A 67 3.488 10.295 -4.417 1.00 0.00 C ATOM 1044 C ARG A 67 3.387 9.833 -2.962 1.00 0.00 C ATOM 1045 O ARG A 67 4.339 9.279 -2.414 1.00 0.00 O ATOM 1046 CB ARG A 67 3.349 11.817 -4.472 1.00 0.00 C ATOM 1047 CG ARG A 67 3.708 12.351 -5.861 1.00 0.00 C ATOM 1048 CD ARG A 67 3.704 13.881 -5.878 1.00 0.00 C ATOM 1049 NE ARG A 67 5.032 14.385 -6.291 1.00 0.00 N ATOM 1050 CZ ARG A 67 5.300 15.673 -6.547 1.00 0.00 C ATOM 1051 NH1 ARG A 67 4.334 16.594 -6.434 1.00 0.00 N ATOM 1052 NH2 ARG A 67 6.535 16.040 -6.916 1.00 0.00 N ATOM 0 H ARG A 67 1.873 10.285 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 67 4.460 10.015 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.327 12.102 -4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.999 12.272 -3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.692 11.983 -6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.996 11.974 -6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.939 14.243 -6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.452 14.263 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 67 5.791 13.710 -6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.394 16.315 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.538 17.574 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.271 15.339 -7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.739 17.020 -7.111 1.00 0.00 H new ATOM 1066 N LYS A 68 2.223 10.076 -2.377 1.00 0.00 N ATOM 1067 CA LYS A 68 1.985 9.692 -0.996 1.00 0.00 C ATOM 1068 C LYS A 68 2.612 8.321 -0.737 1.00 0.00 C ATOM 1069 O LYS A 68 3.499 8.189 0.105 1.00 0.00 O ATOM 1070 CB LYS A 68 0.491 9.756 -0.672 1.00 0.00 C ATOM 1071 CG LYS A 68 0.152 11.031 0.104 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.473 12.082 -0.814 1.00 0.00 C ATOM 1073 CE LYS A 68 -1.821 12.557 -0.267 1.00 0.00 C ATOM 1074 NZ LYS A 68 -2.547 13.344 -1.288 1.00 0.00 N ATOM 0 H LYS A 68 1.435 10.534 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 68 2.465 10.396 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.087 9.724 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.205 8.883 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.537 10.795 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.056 11.434 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.203 12.931 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.608 11.664 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.421 11.698 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.665 13.164 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.459 13.658 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.980 14.174 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.713 12.754 -2.128 1.00 0.00 H new ATOM 1088 N ILE A 69 2.126 7.335 -1.476 1.00 0.00 N ATOM 1089 CA ILE A 69 2.628 5.978 -1.337 1.00 0.00 C ATOM 1090 C ILE A 69 4.157 5.999 -1.370 1.00 0.00 C ATOM 1091 O ILE A 69 4.808 5.489 -0.460 1.00 0.00 O ATOM 1092 CB ILE A 69 2.002 5.065 -2.393 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.496 4.917 -2.168 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.711 3.709 -2.435 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.204 4.433 -3.439 1.00 0.00 C ATOM 0 H ILE A 69 1.390 7.448 -2.173 1.00 0.00 H new ATOM 0 HA ILE A 69 2.336 5.560 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 69 2.137 5.530 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.314 4.212 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.075 5.874 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.247 3.079 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.763 3.856 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.629 3.225 -1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.273 4.336 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.040 5.153 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.202 3.465 -3.732 1.00 0.00 H new ATOM 1107 N LEU A 70 4.686 6.594 -2.429 1.00 0.00 N ATOM 1108 CA LEU A 70 6.127 6.687 -2.593 1.00 0.00 C ATOM 1109 C LEU A 70 6.733 7.366 -1.363 1.00 0.00 C ATOM 1110 O LEU A 70 7.846 7.040 -0.955 1.00 0.00 O ATOM 1111 CB LEU A 70 6.473 7.382 -3.911 1.00 0.00 C ATOM 1112 CG LEU A 70 6.248 6.560 -5.182 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.376 7.435 -6.431 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.188 5.354 -5.228 1.00 0.00 C ATOM 0 H LEU A 70 4.143 7.016 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 70 6.567 5.692 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.882 8.295 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.520 7.682 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 70 5.229 6.174 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.212 6.826 -7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.633 8.232 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.374 7.871 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.008 4.787 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.222 5.698 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.005 4.717 -4.363 1.00 0.00 H new ATOM 1126 N GLU A 71 5.972 8.298 -0.806 1.00 0.00 N ATOM 1127 CA GLU A 71 6.420 9.025 0.369 1.00 0.00 C ATOM 1128 C GLU A 71 6.306 8.144 1.615 1.00 0.00 C ATOM 1129 O GLU A 71 7.043 8.331 2.582 1.00 0.00 O ATOM 1130 CB GLU A 71 5.631 10.325 0.543 1.00 0.00 C ATOM 1131 CG GLU A 71 5.730 11.198 -0.709 1.00 0.00 C ATOM 1132 CD GLU A 71 5.954 12.665 -0.338 1.00 0.00 C ATOM 1133 OE1 GLU A 71 4.977 13.289 0.128 1.00 0.00 O ATOM 1134 OE2 GLU A 71 7.099 13.130 -0.529 1.00 0.00 O ATOM 0 H GLU A 71 5.049 8.566 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 71 7.468 9.290 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.586 10.095 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.012 10.874 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.550 10.849 -1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.817 11.103 -1.296 1.00 0.00 H new ATOM 1141 N ALA A 72 5.378 7.201 1.550 1.00 0.00 N ATOM 1142 CA ALA A 72 5.158 6.290 2.660 1.00 0.00 C ATOM 1143 C ALA A 72 5.755 4.923 2.319 1.00 0.00 C ATOM 1144 O ALA A 72 5.331 3.903 2.861 1.00 0.00 O ATOM 1145 CB ALA A 72 3.661 6.212 2.969 1.00 0.00 C ATOM 0 H ALA A 72 4.770 7.048 0.746 1.00 0.00 H new ATOM 0 HA ALA A 72 5.657 6.653 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.497 5.528 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.292 7.203 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.127 5.849 2.091 1.00 0.00 H new ATOM 1151 N SER A 73 6.730 4.946 1.422 1.00 0.00 N ATOM 1152 CA SER A 73 7.390 3.722 1.002 1.00 0.00 C ATOM 1153 C SER A 73 7.985 3.005 2.216 1.00 0.00 C ATOM 1154 O SER A 73 7.582 1.889 2.541 1.00 0.00 O ATOM 1155 CB SER A 73 8.481 4.010 -0.031 1.00 0.00 C ATOM 1156 OG SER A 73 9.746 3.489 0.368 1.00 0.00 O ATOM 0 H SER A 73 7.079 5.794 0.974 1.00 0.00 H new ATOM 0 HA SER A 73 6.646 3.076 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.196 3.576 -0.989 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.563 5.087 -0.181 1.00 0.00 H new ATOM 0 HG SER A 73 10.415 3.692 -0.319 1.00 0.00 H new ATOM 1162 N ASN A 74 8.933 3.675 2.853 1.00 0.00 N ATOM 1163 CA ASN A 74 9.587 3.116 4.024 1.00 0.00 C ATOM 1164 C ASN A 74 8.529 2.538 4.967 1.00 0.00 C ATOM 1165 O ASN A 74 8.688 1.432 5.481 1.00 0.00 O ATOM 1166 CB ASN A 74 10.364 4.190 4.787 1.00 0.00 C ATOM 1167 CG ASN A 74 11.751 4.402 4.176 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.394 3.482 3.697 1.00 0.00 O ATOM 1169 ND2 ASN A 74 12.175 5.662 4.219 1.00 0.00 N ATOM 0 H ASN A 74 9.264 4.600 2.581 1.00 0.00 H new ATOM 0 HA ASN A 74 10.277 2.343 3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.808 5.127 4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.464 3.898 5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.089 5.906 3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.587 6.384 4.634 1.00 0.00 H new ATOM 1176 N SER A 75 7.473 3.313 5.165 1.00 0.00 N ATOM 1177 CA SER A 75 6.390 2.893 6.037 1.00 0.00 C ATOM 1178 C SER A 75 5.681 1.675 5.440 1.00 0.00 C ATOM 1179 O SER A 75 5.404 0.706 6.146 1.00 0.00 O ATOM 1180 CB SER A 75 5.392 4.030 6.263 1.00 0.00 C ATOM 1181 OG SER A 75 5.817 4.917 7.294 1.00 0.00 O ATOM 0 H SER A 75 7.344 4.230 4.736 1.00 0.00 H new ATOM 0 HA SER A 75 6.814 2.622 7.004 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.262 4.588 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.419 3.612 6.523 1.00 0.00 H new ATOM 0 HG SER A 75 5.154 5.630 7.406 1.00 0.00 H new ATOM 1187 N ILE A 76 5.407 1.765 4.147 1.00 0.00 N ATOM 1188 CA ILE A 76 4.736 0.682 3.448 1.00 0.00 C ATOM 1189 C ILE A 76 5.420 -0.643 3.791 1.00 0.00 C ATOM 1190 O ILE A 76 6.606 -0.667 4.115 1.00 0.00 O ATOM 1191 CB ILE A 76 4.673 0.971 1.947 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.485 1.875 1.611 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.652 -0.328 1.139 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.440 2.188 0.114 1.00 0.00 C ATOM 0 H ILE A 76 5.637 2.571 3.565 1.00 0.00 H new ATOM 0 HA ILE A 76 3.700 0.601 3.777 1.00 0.00 H new ATOM 0 HB ILE A 76 5.577 1.511 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.557 1.389 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.558 2.803 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.607 -0.094 0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.556 -0.900 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.778 -0.916 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.586 2.832 -0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.359 2.696 -0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.343 1.260 -0.449 1.00 0.00 H new ATOM 1206 N GLN A 77 4.642 -1.712 3.708 1.00 0.00 N ATOM 1207 CA GLN A 77 5.158 -3.038 4.006 1.00 0.00 C ATOM 1208 C GLN A 77 4.137 -4.106 3.609 1.00 0.00 C ATOM 1209 O GLN A 77 2.960 -4.001 3.949 1.00 0.00 O ATOM 1210 CB GLN A 77 5.534 -3.160 5.483 1.00 0.00 C ATOM 1211 CG GLN A 77 6.542 -4.291 5.701 1.00 0.00 C ATOM 1212 CD GLN A 77 7.200 -4.182 7.078 1.00 0.00 C ATOM 1213 OE1 GLN A 77 6.603 -3.739 8.046 1.00 0.00 O ATOM 1214 NE2 GLN A 77 8.459 -4.609 7.111 1.00 0.00 N ATOM 0 H GLN A 77 3.658 -1.687 3.439 1.00 0.00 H new ATOM 0 HA GLN A 77 6.064 -3.195 3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.957 -2.218 5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.638 -3.347 6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.039 -5.254 5.610 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.307 -4.256 4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.898 -4.968 6.263 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.985 -4.577 7.984 1.00 0.00 H new ATOM 1223 N PHE A 78 4.626 -5.110 2.895 1.00 0.00 N ATOM 1224 CA PHE A 78 3.771 -6.196 2.449 1.00 0.00 C ATOM 1225 C PHE A 78 3.780 -7.350 3.454 1.00 0.00 C ATOM 1226 O PHE A 78 4.692 -8.175 3.449 1.00 0.00 O ATOM 1227 CB PHE A 78 4.336 -6.692 1.117 1.00 0.00 C ATOM 1228 CG PHE A 78 3.972 -5.811 -0.080 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.187 -4.469 -0.027 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.434 -6.370 -1.197 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.850 -3.651 -1.138 1.00 0.00 C ATOM 1232 CE2 PHE A 78 3.096 -5.552 -2.308 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.311 -4.210 -2.255 1.00 0.00 C ATOM 0 H PHE A 78 5.603 -5.194 2.615 1.00 0.00 H new ATOM 0 HA PHE A 78 2.744 -5.844 2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.422 -6.752 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.973 -7.703 0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.614 -4.025 0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.264 -7.436 -1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.022 -2.586 -1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.668 -5.996 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.054 -3.588 -3.100 1.00 0.00 H new ATOM 1243 N VAL A 79 2.755 -7.370 4.293 1.00 0.00 N ATOM 1244 CA VAL A 79 2.634 -8.409 5.302 1.00 0.00 C ATOM 1245 C VAL A 79 1.971 -9.641 4.682 1.00 0.00 C ATOM 1246 O VAL A 79 0.935 -9.530 4.029 1.00 0.00 O ATOM 1247 CB VAL A 79 1.877 -7.871 6.518 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.597 -8.987 7.527 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.640 -6.718 7.173 1.00 0.00 C ATOM 0 H VAL A 79 2.001 -6.684 4.295 1.00 0.00 H new ATOM 0 HA VAL A 79 3.618 -8.714 5.657 1.00 0.00 H new ATOM 0 HB VAL A 79 0.919 -7.484 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.058 -8.578 8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.993 -9.762 7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.540 -9.417 7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.080 -6.354 8.035 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.620 -7.068 7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.765 -5.909 6.453 1.00 0.00 H new ATOM 1259 N ILE A 80 2.597 -10.786 4.909 1.00 0.00 N ATOM 1260 CA ILE A 80 2.081 -12.038 4.381 1.00 0.00 C ATOM 1261 C ILE A 80 1.528 -12.882 5.531 1.00 0.00 C ATOM 1262 O ILE A 80 2.195 -13.065 6.548 1.00 0.00 O ATOM 1263 CB ILE A 80 3.152 -12.752 3.554 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.905 -11.764 2.661 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.545 -13.904 2.749 1.00 0.00 C ATOM 1266 CD1 ILE A 80 2.991 -11.206 1.568 1.00 0.00 C ATOM 0 H ILE A 80 3.457 -10.873 5.451 1.00 0.00 H new ATOM 0 HA ILE A 80 1.254 -11.851 3.696 1.00 0.00 H new ATOM 0 HB ILE A 80 3.880 -13.186 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.295 -10.946 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.762 -12.260 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.327 -14.395 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.091 -14.624 3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.784 -13.514 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.551 -10.506 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.622 -12.024 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.148 -10.689 2.027 1.00 0.00 H new ATOM 1278 N LYS A 81 0.314 -13.374 5.331 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.336 -14.194 6.339 1.00 0.00 C ATOM 1280 C LYS A 81 -0.529 -15.610 5.791 1.00 0.00 C ATOM 1281 O LYS A 81 -0.315 -16.589 6.504 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.634 -13.535 6.810 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.409 -12.060 7.149 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.290 -11.857 8.661 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.609 -11.355 9.252 1.00 0.00 C ATOM 1286 NZ LYS A 81 -2.955 -12.120 10.471 1.00 0.00 N ATOM 0 H LYS A 81 -0.236 -13.221 4.486 1.00 0.00 H new ATOM 0 HA LYS A 81 0.292 -14.277 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.393 -13.621 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.015 -14.059 7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.503 -11.704 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.236 -11.464 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.008 -12.796 9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.496 -11.141 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.527 -10.295 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.406 -11.454 8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.853 -11.767 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.054 -13.127 10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.202 -12.004 11.179 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.932 -15.673 4.531 1.00 0.00 N ATOM 1301 CA ARG A 82 -1.156 -16.952 3.879 1.00 0.00 C ATOM 1302 C ARG A 82 -0.536 -16.951 2.480 1.00 0.00 C ATOM 1303 O ARG A 82 -1.179 -16.543 1.514 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.650 -17.259 3.768 1.00 0.00 C ATOM 1305 CG ARG A 82 -3.251 -17.565 5.142 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.584 -18.304 5.005 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.527 -19.589 5.737 1.00 0.00 N ATOM 1308 CZ ARG A 82 -4.325 -19.694 7.057 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -4.161 -18.590 7.799 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -4.289 -20.902 7.636 1.00 0.00 N ATOM 0 H ARG A 82 -1.109 -14.858 3.943 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.683 -17.722 4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.167 -16.410 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.802 -18.109 3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.554 -18.170 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.401 -16.636 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.393 -17.688 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.803 -18.485 3.953 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.649 -20.449 5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.190 -17.670 7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.007 -18.669 8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.415 -21.742 7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.135 -20.981 8.641 1.00 0.00 H new ATOM 1324 N PRO A 83 0.737 -17.425 2.414 1.00 0.00 N ATOM 1325 CA PRO A 83 1.449 -17.482 1.150 1.00 0.00 C ATOM 1326 C PRO A 83 0.939 -18.636 0.284 1.00 0.00 C ATOM 1327 O PRO A 83 1.196 -18.676 -0.918 1.00 0.00 O ATOM 1328 CB PRO A 83 2.914 -17.628 1.530 1.00 0.00 C ATOM 1329 CG PRO A 83 2.924 -18.113 2.970 1.00 0.00 C ATOM 1330 CD PRO A 83 1.528 -17.917 3.538 1.00 0.00 C ATOM 0 HA PRO A 83 1.295 -16.591 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.419 -18.338 0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.439 -16.678 1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.211 -19.163 3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.656 -17.556 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.124 -18.851 3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.532 -17.203 4.362 1.00 0.00 H new ATOM 1338 N GLU A 84 0.224 -19.546 0.929 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.325 -20.697 0.234 1.00 0.00 C ATOM 1340 C GLU A 84 -1.268 -20.243 -0.883 1.00 0.00 C ATOM 1341 O GLU A 84 -1.468 -20.961 -1.861 1.00 0.00 O ATOM 1342 CB GLU A 84 -1.041 -21.636 1.207 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.344 -21.013 1.711 1.00 0.00 C ATOM 1344 CD GLU A 84 -3.247 -22.071 2.349 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.686 -22.976 3.004 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -4.478 -21.952 2.167 1.00 0.00 O ATOM 0 H GLU A 84 0.012 -19.509 1.926 1.00 0.00 H new ATOM 0 HA GLU A 84 0.499 -21.252 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.254 -22.584 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.389 -21.857 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.121 -20.233 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.867 -20.535 0.883 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.821 -19.053 -0.699 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.738 -18.495 -1.678 1.00 0.00 C ATOM 1355 C LEU A 85 -1.969 -18.163 -2.959 1.00 0.00 C ATOM 1356 O LEU A 85 -2.409 -18.501 -4.057 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.492 -17.302 -1.087 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.327 -17.588 0.162 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.876 -16.293 0.764 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.438 -18.596 -0.140 1.00 0.00 C ATOM 0 H LEU A 85 -1.652 -18.460 0.113 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.502 -19.225 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.768 -16.524 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.151 -16.897 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.677 -18.040 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.466 -16.525 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.048 -15.640 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.506 -15.789 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.017 -18.782 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.093 -18.195 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.997 -19.531 -0.487 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.834 -17.505 -2.776 1.00 0.00 N ATOM 1373 CA LEU A 86 0.001 -17.124 -3.903 1.00 0.00 C ATOM 1374 C LEU A 86 0.057 -18.279 -4.903 1.00 0.00 C ATOM 1375 O LEU A 86 -0.365 -18.134 -6.050 1.00 0.00 O ATOM 1376 CB LEU A 86 1.376 -16.661 -3.419 1.00 0.00 C ATOM 1377 CG LEU A 86 1.380 -15.515 -2.405 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.809 -15.152 -1.994 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.614 -14.305 -2.943 1.00 0.00 C ATOM 0 H LEU A 86 -0.473 -17.226 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.430 -16.270 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.889 -17.514 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.960 -16.354 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 86 0.862 -15.851 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.784 -14.335 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.289 -16.020 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.373 -14.842 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.632 -13.505 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.082 -13.958 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.419 -14.589 -3.145 1.00 0.00 H new