USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=13 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 Set 1.1: A 36 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 MET CE :methyl -117:sc= -1.99 (180deg=-2.73) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.429 K(o=-0.43,f=-1) USER MOD Single : A 18 THR OG1 : rot 113:sc= -0.405 USER MOD Single : A 20 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 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= 0.0355 USER MOD Single : A 40 HIS : no HE2:sc= -2.95! C(o=-2.9!,f=-2.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.689 K(o=-0.69,f=-1.6!) 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 -94:sc= -0.115 USER MOD Single : A 74 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.41) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.737 9.652 -13.723 1.00 0.00 N ATOM 60 CA GLY A 7 6.749 8.610 -13.671 1.00 0.00 C ATOM 61 C GLY A 7 6.684 7.848 -12.346 1.00 0.00 C ATOM 62 O GLY A 7 7.453 6.914 -12.124 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.606 7.917 -14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.738 9.052 -13.792 1.00 0.00 H new ATOM 66 N LEU A 8 5.758 8.276 -11.500 1.00 0.00 N ATOM 67 CA LEU A 8 5.583 7.645 -10.202 1.00 0.00 C ATOM 68 C LEU A 8 5.233 6.169 -10.400 1.00 0.00 C ATOM 69 O LEU A 8 5.766 5.303 -9.709 1.00 0.00 O ATOM 70 CB LEU A 8 4.557 8.414 -9.368 1.00 0.00 C ATOM 71 CG LEU A 8 4.760 9.928 -9.283 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.553 10.608 -8.634 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.065 10.267 -8.560 1.00 0.00 C ATOM 0 H LEU A 8 5.122 9.051 -11.687 1.00 0.00 H new ATOM 0 HA LEU A 8 6.512 7.678 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.566 8.223 -9.781 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.564 8.009 -8.356 1.00 0.00 H new ATOM 0 HG LEU A 8 4.843 10.318 -10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.724 11.684 -8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.660 10.408 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.414 10.217 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.185 11.349 -8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.037 9.861 -7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.905 9.832 -9.102 1.00 0.00 H new ATOM 85 N ARG A 9 4.338 5.928 -11.347 1.00 0.00 N ATOM 86 CA ARG A 9 3.911 4.572 -11.645 1.00 0.00 C ATOM 87 C ARG A 9 5.095 3.608 -11.547 1.00 0.00 C ATOM 88 O ARG A 9 5.079 2.679 -10.741 1.00 0.00 O ATOM 89 CB ARG A 9 3.303 4.481 -13.046 1.00 0.00 C ATOM 90 CG ARG A 9 1.996 5.273 -13.129 1.00 0.00 C ATOM 91 CD ARG A 9 1.030 4.633 -14.129 1.00 0.00 C ATOM 92 NE ARG A 9 1.473 4.916 -15.513 1.00 0.00 N ATOM 93 CZ ARG A 9 1.217 6.058 -16.165 1.00 0.00 C ATOM 94 NH1 ARG A 9 0.519 7.031 -15.563 1.00 0.00 N ATOM 95 NH2 ARG A 9 1.658 6.227 -17.419 1.00 0.00 N ATOM 0 H ARG A 9 3.897 6.649 -11.918 1.00 0.00 H new ATOM 0 HA ARG A 9 3.152 4.296 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.012 4.865 -13.780 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.117 3.437 -13.298 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.530 5.317 -12.145 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.207 6.300 -13.428 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.985 3.556 -13.966 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.023 5.021 -13.974 1.00 0.00 H new ATOM 0 HE ARG A 9 2.007 4.196 -16.001 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.183 6.902 -14.609 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.324 7.901 -16.059 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.189 5.486 -17.877 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.463 7.096 -17.915 1.00 0.00 H new ATOM 109 N LYS A 10 6.094 3.863 -12.379 1.00 0.00 N ATOM 110 CA LYS A 10 7.285 3.030 -12.396 1.00 0.00 C ATOM 111 C LYS A 10 7.850 2.926 -10.978 1.00 0.00 C ATOM 112 O LYS A 10 8.146 1.830 -10.503 1.00 0.00 O ATOM 113 CB LYS A 10 8.291 3.554 -13.422 1.00 0.00 C ATOM 114 CG LYS A 10 7.643 3.703 -14.800 1.00 0.00 C ATOM 115 CD LYS A 10 8.703 3.875 -15.889 1.00 0.00 C ATOM 116 CE LYS A 10 8.057 3.976 -17.272 1.00 0.00 C ATOM 117 NZ LYS A 10 9.088 3.919 -18.332 1.00 0.00 N ATOM 0 H LYS A 10 6.103 4.634 -13.046 1.00 0.00 H new ATOM 0 HA LYS A 10 7.037 2.018 -12.716 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.682 4.517 -13.094 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.138 2.872 -13.487 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.034 2.825 -15.016 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.974 4.563 -14.800 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.290 4.772 -15.692 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.393 3.031 -15.867 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.343 3.163 -17.407 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.497 4.908 -17.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.632 3.989 -19.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.753 4.709 -18.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.604 3.019 -18.266 1.00 0.00 H new ATOM 131 N GLN A 11 7.982 4.080 -10.342 1.00 0.00 N ATOM 132 CA GLN A 11 8.506 4.133 -8.988 1.00 0.00 C ATOM 133 C GLN A 11 7.691 3.222 -8.067 1.00 0.00 C ATOM 134 O GLN A 11 8.248 2.355 -7.395 1.00 0.00 O ATOM 135 CB GLN A 11 8.524 5.570 -8.462 1.00 0.00 C ATOM 136 CG GLN A 11 9.111 6.527 -9.501 1.00 0.00 C ATOM 137 CD GLN A 11 9.898 7.653 -8.827 1.00 0.00 C ATOM 138 OE1 GLN A 11 9.312 8.844 -8.905 1.00 0.00 O flip ATOM 139 NE2 GLN A 11 10.966 7.453 -8.273 1.00 0.00 N flip ATOM 0 H GLN A 11 7.735 4.986 -10.739 1.00 0.00 H new ATOM 0 HA GLN A 11 9.535 3.774 -9.004 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.511 5.881 -8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.112 5.618 -7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.764 5.977 -10.179 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.308 6.950 -10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.360 6.513 -8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.465 8.226 -7.833 1.00 0.00 H new ATOM 148 N VAL A 12 6.386 3.450 -8.067 1.00 0.00 N ATOM 149 CA VAL A 12 5.489 2.660 -7.240 1.00 0.00 C ATOM 150 C VAL A 12 5.790 1.174 -7.444 1.00 0.00 C ATOM 151 O VAL A 12 6.012 0.444 -6.480 1.00 0.00 O ATOM 152 CB VAL A 12 4.036 3.024 -7.550 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.069 2.159 -6.739 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.778 4.512 -7.303 1.00 0.00 C ATOM 0 H VAL A 12 5.928 4.170 -8.626 1.00 0.00 H new ATOM 0 HA VAL A 12 5.648 2.881 -6.185 1.00 0.00 H new ATOM 0 HB VAL A 12 3.860 2.824 -8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.043 2.438 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.226 1.109 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.248 2.313 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.738 4.744 -7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.982 4.748 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.431 5.106 -7.943 1.00 0.00 H new ATOM 164 N GLU A 13 5.786 0.770 -8.706 1.00 0.00 N ATOM 165 CA GLU A 13 6.056 -0.616 -9.049 1.00 0.00 C ATOM 166 C GLU A 13 7.266 -1.131 -8.267 1.00 0.00 C ATOM 167 O GLU A 13 7.177 -2.144 -7.575 1.00 0.00 O ATOM 168 CB GLU A 13 6.269 -0.776 -10.556 1.00 0.00 C ATOM 169 CG GLU A 13 5.008 -0.392 -11.332 1.00 0.00 C ATOM 170 CD GLU A 13 4.852 -1.253 -12.587 1.00 0.00 C ATOM 171 OE1 GLU A 13 5.729 -1.132 -13.470 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.860 -2.012 -12.635 1.00 0.00 O ATOM 0 H GLU A 13 5.600 1.378 -9.503 1.00 0.00 H new ATOM 0 HA GLU A 13 5.188 -1.214 -8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.102 -0.151 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.539 -1.808 -10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.133 -0.512 -10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.056 0.660 -11.612 1.00 0.00 H new ATOM 179 N LEU A 14 8.369 -0.409 -8.402 1.00 0.00 N ATOM 180 CA LEU A 14 9.595 -0.780 -7.716 1.00 0.00 C ATOM 181 C LEU A 14 9.318 -0.905 -6.217 1.00 0.00 C ATOM 182 O LEU A 14 9.739 -1.871 -5.582 1.00 0.00 O ATOM 183 CB LEU A 14 10.717 0.203 -8.055 1.00 0.00 C ATOM 184 CG LEU A 14 12.102 -0.144 -7.505 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.550 -1.527 -7.983 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.120 0.942 -7.858 1.00 0.00 C ATOM 0 H LEU A 14 8.439 0.431 -8.976 1.00 0.00 H new ATOM 0 HA LEU A 14 9.943 -1.755 -8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.788 0.282 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.436 1.188 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 14 12.038 -0.184 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.537 -1.750 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.839 -2.279 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.593 -1.539 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.096 0.671 -7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.189 1.038 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.802 1.892 -7.429 1.00 0.00 H new ATOM 198 N LEU A 15 8.611 0.086 -5.694 1.00 0.00 N ATOM 199 CA LEU A 15 8.272 0.100 -4.281 1.00 0.00 C ATOM 200 C LEU A 15 7.536 -1.193 -3.925 1.00 0.00 C ATOM 201 O LEU A 15 8.032 -1.998 -3.138 1.00 0.00 O ATOM 202 CB LEU A 15 7.493 1.369 -3.929 1.00 0.00 C ATOM 203 CG LEU A 15 6.849 1.396 -2.541 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.909 1.309 -1.442 1.00 0.00 C ATOM 205 CD2 LEU A 15 5.953 2.626 -2.377 1.00 0.00 C ATOM 0 H LEU A 15 8.263 0.885 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 15 9.176 0.130 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.168 2.221 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.710 1.510 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 15 6.212 0.517 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.424 1.330 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.469 0.380 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.591 2.155 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.507 2.621 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.549 3.530 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.164 2.604 -3.128 1.00 0.00 H new ATOM 217 N PHE A 16 6.363 -1.352 -4.522 1.00 0.00 N ATOM 218 CA PHE A 16 5.554 -2.533 -4.277 1.00 0.00 C ATOM 219 C PHE A 16 6.356 -3.811 -4.533 1.00 0.00 C ATOM 220 O PHE A 16 6.459 -4.669 -3.657 1.00 0.00 O ATOM 221 CB PHE A 16 4.378 -2.480 -5.255 1.00 0.00 C ATOM 222 CG PHE A 16 3.321 -1.433 -4.900 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.507 -0.613 -3.831 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.194 -1.321 -5.654 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.526 0.359 -3.502 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.213 -0.349 -5.325 1.00 0.00 C ATOM 227 CZ PHE A 16 1.399 0.470 -4.255 1.00 0.00 C ATOM 0 H PHE A 16 5.954 -0.683 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 16 5.221 -2.547 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.759 -2.272 -6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.905 -3.461 -5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.401 -0.701 -3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.046 -1.972 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.675 1.010 -2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.319 -0.260 -5.924 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.652 1.208 -4.004 1.00 0.00 H new ATOM 237 N ASN A 17 6.904 -3.897 -5.736 1.00 0.00 N ATOM 238 CA ASN A 17 7.694 -5.055 -6.117 1.00 0.00 C ATOM 239 C ASN A 17 8.793 -5.282 -5.078 1.00 0.00 C ATOM 240 O ASN A 17 8.957 -6.392 -4.574 1.00 0.00 O ATOM 241 CB ASN A 17 8.365 -4.841 -7.476 1.00 0.00 C ATOM 242 CG ASN A 17 7.360 -5.016 -8.617 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.301 -4.411 -8.644 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.750 -5.876 -9.554 1.00 0.00 N ATOM 0 H ASN A 17 6.816 -3.183 -6.460 1.00 0.00 H new ATOM 0 HA ASN A 17 7.026 -5.914 -6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.798 -3.842 -7.518 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.185 -5.549 -7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.149 -6.063 -10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.650 -6.349 -9.470 1.00 0.00 H new ATOM 251 N THR A 18 9.519 -4.212 -4.788 1.00 0.00 N ATOM 252 CA THR A 18 10.598 -4.280 -3.817 1.00 0.00 C ATOM 253 C THR A 18 10.072 -4.771 -2.467 1.00 0.00 C ATOM 254 O THR A 18 10.608 -5.719 -1.895 1.00 0.00 O ATOM 255 CB THR A 18 11.259 -2.902 -3.747 1.00 0.00 C ATOM 256 OG1 THR A 18 11.893 -2.755 -5.014 1.00 0.00 O ATOM 257 CG2 THR A 18 12.414 -2.856 -2.744 1.00 0.00 C ATOM 0 H THR A 18 9.381 -3.293 -5.209 1.00 0.00 H new ATOM 0 HA THR A 18 11.355 -5.005 -4.118 1.00 0.00 H new ATOM 0 HB THR A 18 10.512 -2.156 -3.475 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.453 -2.039 -5.519 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.848 -1.856 -2.734 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.042 -3.100 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.176 -3.579 -3.034 1.00 0.00 H new ATOM 265 N ARG A 19 9.027 -4.105 -1.998 1.00 0.00 N ATOM 266 CA ARG A 19 8.422 -4.462 -0.726 1.00 0.00 C ATOM 267 C ARG A 19 8.112 -5.959 -0.687 1.00 0.00 C ATOM 268 O ARG A 19 8.445 -6.641 0.281 1.00 0.00 O ATOM 269 CB ARG A 19 7.131 -3.674 -0.490 1.00 0.00 C ATOM 270 CG ARG A 19 7.432 -2.202 -0.202 1.00 0.00 C ATOM 271 CD ARG A 19 8.040 -2.029 1.191 1.00 0.00 C ATOM 272 NE ARG A 19 9.055 -0.953 1.170 1.00 0.00 N ATOM 273 CZ ARG A 19 9.916 -0.712 2.169 1.00 0.00 C ATOM 274 NH1 ARG A 19 9.890 -1.470 3.273 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.803 0.287 2.063 1.00 0.00 N ATOM 0 H ARG A 19 8.584 -3.320 -2.476 1.00 0.00 H new ATOM 0 HA ARG A 19 9.134 -4.215 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.487 -3.753 -1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.584 -4.108 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.120 -1.814 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.515 -1.618 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.258 -1.788 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.496 -2.964 1.516 1.00 0.00 H new ATOM 0 HE ARG A 19 9.103 -0.357 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.215 -2.231 3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.545 -1.287 4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.823 0.864 1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.458 0.470 2.823 1.00 0.00 H new ATOM 289 N TYR A 20 7.478 -6.428 -1.752 1.00 0.00 N ATOM 290 CA TYR A 20 7.119 -7.832 -1.852 1.00 0.00 C ATOM 291 C TYR A 20 8.324 -8.728 -1.557 1.00 0.00 C ATOM 292 O TYR A 20 8.207 -9.711 -0.827 1.00 0.00 O ATOM 293 CB TYR A 20 6.677 -8.052 -3.300 1.00 0.00 C ATOM 294 CG TYR A 20 6.007 -9.406 -3.547 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.911 -9.780 -2.797 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.499 -10.251 -4.521 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.281 -11.054 -3.029 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.869 -11.525 -4.753 1.00 0.00 C ATOM 299 CZ TYR A 20 4.791 -11.863 -3.996 1.00 0.00 C ATOM 300 OH TYR A 20 4.195 -13.066 -4.216 1.00 0.00 O ATOM 0 H TYR A 20 7.204 -5.860 -2.553 1.00 0.00 H new ATOM 0 HA TYR A 20 6.337 -8.081 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.985 -7.259 -3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.546 -7.964 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.526 -9.117 -2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.356 -9.957 -5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.423 -11.360 -2.448 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.244 -12.197 -5.511 1.00 0.00 H new ATOM 0 HH TYR A 20 4.665 -13.537 -4.936 1.00 0.00 H new ATOM 310 N ALA A 21 9.454 -8.356 -2.139 1.00 0.00 N ATOM 311 CA ALA A 21 10.679 -9.114 -1.948 1.00 0.00 C ATOM 312 C ALA A 21 10.900 -9.348 -0.452 1.00 0.00 C ATOM 313 O ALA A 21 11.147 -10.475 -0.027 1.00 0.00 O ATOM 314 CB ALA A 21 11.846 -8.370 -2.601 1.00 0.00 C ATOM 0 H ALA A 21 9.547 -7.540 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 21 10.606 -10.090 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.765 -8.938 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.653 -8.255 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.952 -7.387 -2.143 1.00 0.00 H new ATOM 320 N LYS A 22 10.805 -8.264 0.304 1.00 0.00 N ATOM 321 CA LYS A 22 10.991 -8.337 1.743 1.00 0.00 C ATOM 322 C LYS A 22 9.984 -9.326 2.334 1.00 0.00 C ATOM 323 O LYS A 22 10.253 -9.955 3.357 1.00 0.00 O ATOM 324 CB LYS A 22 10.919 -6.941 2.365 1.00 0.00 C ATOM 325 CG LYS A 22 11.432 -6.955 3.806 1.00 0.00 C ATOM 326 CD LYS A 22 11.470 -5.541 4.389 1.00 0.00 C ATOM 327 CE LYS A 22 11.422 -5.576 5.918 1.00 0.00 C ATOM 328 NZ LYS A 22 11.990 -4.332 6.483 1.00 0.00 N ATOM 0 H LYS A 22 10.602 -7.330 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 22 11.986 -8.715 1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.510 -6.244 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.890 -6.583 2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.789 -7.587 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.430 -7.391 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.377 -5.033 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.627 -4.964 4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.392 -5.697 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.980 -6.437 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.950 -4.372 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.979 -4.233 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.441 -3.515 6.147 1.00 0.00 H new ATOM 342 N ALA A 23 8.845 -9.433 1.665 1.00 0.00 N ATOM 343 CA ALA A 23 7.797 -10.334 2.111 1.00 0.00 C ATOM 344 C ALA A 23 8.203 -11.776 1.800 1.00 0.00 C ATOM 345 O ALA A 23 7.673 -12.716 2.390 1.00 0.00 O ATOM 346 CB ALA A 23 6.473 -9.946 1.449 1.00 0.00 C ATOM 0 H ALA A 23 8.626 -8.910 0.817 1.00 0.00 H new ATOM 0 HA ALA A 23 7.658 -10.256 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.687 -10.622 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.214 -8.924 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.574 -10.015 0.366 1.00 0.00 H new ATOM 352 N ILE A 24 9.141 -11.906 0.872 1.00 0.00 N ATOM 353 CA ILE A 24 9.624 -13.217 0.475 1.00 0.00 C ATOM 354 C ILE A 24 11.100 -13.349 0.857 1.00 0.00 C ATOM 355 O ILE A 24 11.758 -14.318 0.481 1.00 0.00 O ATOM 356 CB ILE A 24 9.349 -13.463 -1.010 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.872 -12.305 -1.863 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.862 -13.729 -1.255 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.896 -12.684 -3.345 1.00 0.00 C ATOM 0 H ILE A 24 9.579 -11.124 0.384 1.00 0.00 H new ATOM 0 HA ILE A 24 9.084 -13.999 1.009 1.00 0.00 H new ATOM 0 HB ILE A 24 9.891 -14.358 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.241 -11.428 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.876 -12.033 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.693 -13.901 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.552 -14.609 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.280 -12.867 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.272 -11.844 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.547 -13.546 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.887 -12.932 -3.674 1.00 0.00 H new ATOM 371 N GLY A 25 11.577 -12.361 1.599 1.00 0.00 N ATOM 372 CA GLY A 25 12.962 -12.354 2.036 1.00 0.00 C ATOM 373 C GLY A 25 13.911 -12.175 0.849 1.00 0.00 C ATOM 374 O GLY A 25 15.027 -12.692 0.858 1.00 0.00 O ATOM 0 H GLY A 25 11.028 -11.559 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.116 -11.549 2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.189 -13.288 2.550 1.00 0.00 H new ATOM 378 N ILE A 26 13.432 -11.442 -0.145 1.00 0.00 N ATOM 379 CA ILE A 26 14.223 -11.188 -1.337 1.00 0.00 C ATOM 380 C ILE A 26 14.775 -9.763 -1.284 1.00 0.00 C ATOM 381 O ILE A 26 14.115 -8.856 -0.778 1.00 0.00 O ATOM 382 CB ILE A 26 13.405 -11.484 -2.596 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.169 -12.988 -2.756 1.00 0.00 C ATOM 384 CG2 ILE A 26 14.063 -10.872 -3.834 1.00 0.00 C ATOM 385 CD1 ILE A 26 13.004 -13.363 -4.230 1.00 0.00 C ATOM 0 H ILE A 26 12.505 -11.016 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 26 15.080 -11.861 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 26 12.427 -11.015 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 26 14.007 -13.539 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.278 -13.281 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.461 -11.097 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.136 -9.791 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.061 -11.291 -3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.838 -14.437 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.151 -12.829 -4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.906 -13.091 -4.778 1.00 0.00 H new ATOM 397 N SER A 27 15.980 -9.609 -1.812 1.00 0.00 N ATOM 398 CA SER A 27 16.629 -8.309 -1.831 1.00 0.00 C ATOM 399 C SER A 27 16.174 -7.515 -3.057 1.00 0.00 C ATOM 400 O SER A 27 15.975 -6.304 -2.978 1.00 0.00 O ATOM 401 CB SER A 27 18.152 -8.453 -1.828 1.00 0.00 C ATOM 402 OG SER A 27 18.729 -7.994 -0.609 1.00 0.00 O ATOM 0 H SER A 27 16.524 -10.363 -2.230 1.00 0.00 H new ATOM 0 HA SER A 27 16.340 -7.770 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.418 -9.499 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.571 -7.890 -2.662 1.00 0.00 H new ATOM 0 HG SER A 27 19.702 -8.104 -0.646 1.00 0.00 H new ATOM 408 N GLU A 28 16.022 -8.229 -4.163 1.00 0.00 N ATOM 409 CA GLU A 28 15.594 -7.606 -5.404 1.00 0.00 C ATOM 410 C GLU A 28 14.068 -7.505 -5.448 1.00 0.00 C ATOM 411 O GLU A 28 13.375 -8.195 -4.702 1.00 0.00 O ATOM 412 CB GLU A 28 16.128 -8.374 -6.615 1.00 0.00 C ATOM 413 CG GLU A 28 15.272 -9.609 -6.903 1.00 0.00 C ATOM 414 CD GLU A 28 16.141 -10.861 -7.033 1.00 0.00 C ATOM 415 OE1 GLU A 28 16.512 -11.407 -5.971 1.00 0.00 O ATOM 416 OE2 GLU A 28 16.415 -11.244 -8.191 1.00 0.00 O ATOM 0 H GLU A 28 16.188 -9.234 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 28 16.007 -6.598 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.137 -7.722 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.159 -8.677 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.546 -9.748 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.707 -9.457 -7.823 1.00 0.00 H new ATOM 423 N PRO A 29 13.577 -6.616 -6.352 1.00 0.00 N ATOM 424 CA PRO A 29 12.146 -6.415 -6.503 1.00 0.00 C ATOM 425 C PRO A 29 11.505 -7.585 -7.253 1.00 0.00 C ATOM 426 O PRO A 29 12.047 -8.061 -8.249 1.00 0.00 O ATOM 427 CB PRO A 29 12.010 -5.092 -7.239 1.00 0.00 C ATOM 428 CG PRO A 29 13.363 -4.831 -7.881 1.00 0.00 C ATOM 429 CD PRO A 29 14.369 -5.781 -7.252 1.00 0.00 C ATOM 0 HA PRO A 29 11.623 -6.379 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.224 -5.143 -7.992 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.742 -4.289 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.311 -4.989 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.666 -3.796 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.873 -6.382 -8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.142 -5.237 -6.710 1.00 0.00 H new ATOM 437 N VAL A 30 10.359 -8.014 -6.745 1.00 0.00 N ATOM 438 CA VAL A 30 9.637 -9.119 -7.354 1.00 0.00 C ATOM 439 C VAL A 30 8.219 -8.664 -7.705 1.00 0.00 C ATOM 440 O VAL A 30 7.766 -7.619 -7.241 1.00 0.00 O ATOM 441 CB VAL A 30 9.663 -10.335 -6.426 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.700 -11.418 -6.915 1.00 0.00 C ATOM 443 CG2 VAL A 30 11.083 -10.887 -6.284 1.00 0.00 C ATOM 0 H VAL A 30 9.912 -7.617 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 30 10.119 -9.425 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 30 9.330 -10.011 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.738 -12.271 -6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.686 -11.019 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.989 -11.737 -7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.073 -11.751 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.456 -11.187 -7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.733 -10.117 -5.868 1.00 0.00 H new ATOM 453 N LYS A 31 7.559 -9.472 -8.521 1.00 0.00 N ATOM 454 CA LYS A 31 6.201 -9.166 -8.940 1.00 0.00 C ATOM 455 C LYS A 31 5.262 -9.288 -7.738 1.00 0.00 C ATOM 456 O LYS A 31 5.486 -10.110 -6.851 1.00 0.00 O ATOM 457 CB LYS A 31 5.797 -10.041 -10.128 1.00 0.00 C ATOM 458 CG LYS A 31 6.608 -9.682 -11.375 1.00 0.00 C ATOM 459 CD LYS A 31 6.072 -10.414 -12.607 1.00 0.00 C ATOM 460 CE LYS A 31 7.033 -11.519 -13.049 1.00 0.00 C ATOM 461 NZ LYS A 31 7.653 -11.177 -14.349 1.00 0.00 N ATOM 0 H LYS A 31 7.939 -10.338 -8.903 1.00 0.00 H new ATOM 0 HA LYS A 31 6.134 -8.137 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.951 -11.091 -9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.734 -9.914 -10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.569 -8.605 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.655 -9.942 -11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.096 -10.844 -12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.928 -9.705 -13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.808 -11.658 -12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.496 -12.464 -13.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.302 -11.937 -14.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.911 -11.067 -15.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.182 -10.286 -14.258 1.00 0.00 H new ATOM 475 N VAL A 32 4.229 -8.458 -7.749 1.00 0.00 N ATOM 476 CA VAL A 32 3.255 -8.462 -6.671 1.00 0.00 C ATOM 477 C VAL A 32 1.948 -9.077 -7.173 1.00 0.00 C ATOM 478 O VAL A 32 1.317 -8.545 -8.086 1.00 0.00 O ATOM 479 CB VAL A 32 3.076 -7.045 -6.121 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.718 -6.891 -5.434 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.217 -6.679 -5.169 1.00 0.00 C ATOM 0 H VAL A 32 4.046 -7.778 -8.487 1.00 0.00 H new ATOM 0 HA VAL A 32 3.606 -9.076 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 32 3.106 -6.352 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.617 -5.875 -5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.922 -7.090 -6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.646 -7.598 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.066 -5.667 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.232 -7.379 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.166 -6.730 -5.702 1.00 0.00 H new ATOM 491 N PRO A 33 1.569 -10.220 -6.540 1.00 0.00 N ATOM 492 CA PRO A 33 0.348 -10.913 -6.913 1.00 0.00 C ATOM 493 C PRO A 33 -0.885 -10.173 -6.390 1.00 0.00 C ATOM 494 O PRO A 33 -1.570 -10.658 -5.491 1.00 0.00 O ATOM 495 CB PRO A 33 0.494 -12.309 -6.330 1.00 0.00 C ATOM 496 CG PRO A 33 1.572 -12.204 -5.263 1.00 0.00 C ATOM 497 CD PRO A 33 2.290 -10.878 -5.455 1.00 0.00 C ATOM 0 HA PRO A 33 0.204 -10.959 -7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.447 -12.654 -5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.776 -13.027 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.131 -12.259 -4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.274 -13.034 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.267 -10.280 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.339 -11.029 -5.711 1.00 0.00 H new ATOM 505 N TYR A 34 -1.130 -9.010 -6.975 1.00 0.00 N ATOM 506 CA TYR A 34 -2.268 -8.198 -6.580 1.00 0.00 C ATOM 507 C TYR A 34 -3.491 -9.072 -6.292 1.00 0.00 C ATOM 508 O TYR A 34 -4.007 -9.075 -5.175 1.00 0.00 O ATOM 509 CB TYR A 34 -2.574 -7.291 -7.773 1.00 0.00 C ATOM 510 CG TYR A 34 -1.486 -6.255 -8.062 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.805 -5.660 -7.019 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.186 -5.914 -9.365 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.219 -4.685 -7.291 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.162 -4.939 -9.637 1.00 0.00 C ATOM 515 CZ TYR A 34 0.490 -4.373 -8.587 1.00 0.00 C ATOM 516 OH TYR A 34 1.458 -3.452 -8.844 1.00 0.00 O ATOM 0 H TYR A 34 -0.559 -8.610 -7.720 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.042 -7.635 -5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.717 -7.909 -8.659 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.515 -6.773 -7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.040 -5.926 -5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.719 -6.379 -10.181 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.760 -4.212 -6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.083 -4.664 -10.652 1.00 0.00 H new ATOM 0 HH TYR A 34 1.544 -3.330 -9.812 1.00 0.00 H new ATOM 526 N SER A 35 -3.919 -9.792 -7.318 1.00 0.00 N ATOM 527 CA SER A 35 -5.072 -10.667 -7.190 1.00 0.00 C ATOM 528 C SER A 35 -5.042 -11.375 -5.834 1.00 0.00 C ATOM 529 O SER A 35 -5.991 -11.277 -5.057 1.00 0.00 O ATOM 530 CB SER A 35 -5.113 -11.693 -8.324 1.00 0.00 C ATOM 531 OG SER A 35 -4.677 -11.139 -9.562 1.00 0.00 O ATOM 0 H SER A 35 -3.488 -9.787 -8.242 1.00 0.00 H new ATOM 0 HA SER A 35 -5.974 -10.058 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.483 -12.544 -8.066 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.129 -12.071 -8.434 1.00 0.00 H new ATOM 0 HG SER A 35 -4.716 -11.826 -10.260 1.00 0.00 H new ATOM 537 N LYS A 36 -3.942 -12.072 -5.590 1.00 0.00 N ATOM 538 CA LYS A 36 -3.776 -12.796 -4.341 1.00 0.00 C ATOM 539 C LYS A 36 -4.182 -11.893 -3.175 1.00 0.00 C ATOM 540 O LYS A 36 -4.896 -12.324 -2.271 1.00 0.00 O ATOM 541 CB LYS A 36 -2.353 -13.348 -4.226 1.00 0.00 C ATOM 542 CG LYS A 36 -2.049 -14.322 -5.366 1.00 0.00 C ATOM 543 CD LYS A 36 -2.939 -15.564 -5.278 1.00 0.00 C ATOM 544 CE LYS A 36 -4.251 -15.352 -6.037 1.00 0.00 C ATOM 545 NZ LYS A 36 -4.280 -16.182 -7.262 1.00 0.00 N ATOM 0 H LYS A 36 -3.157 -12.151 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.433 -13.665 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.638 -12.526 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.232 -13.854 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.204 -13.826 -6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.001 -14.618 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.411 -16.424 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.151 -15.791 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.094 -15.609 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.360 -14.300 -6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.866 -15.715 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.312 -16.300 -7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.682 -17.115 -7.040 1.00 0.00 H new ATOM 559 N PHE A 37 -3.709 -10.657 -3.234 1.00 0.00 N ATOM 560 CA PHE A 37 -4.013 -9.689 -2.193 1.00 0.00 C ATOM 561 C PHE A 37 -5.442 -9.161 -2.337 1.00 0.00 C ATOM 562 O PHE A 37 -6.040 -8.704 -1.364 1.00 0.00 O ATOM 563 CB PHE A 37 -3.033 -8.527 -2.363 1.00 0.00 C ATOM 564 CG PHE A 37 -1.639 -8.801 -1.795 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.772 -9.598 -2.476 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.266 -8.247 -0.611 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.522 -9.853 -1.949 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.028 -8.501 -0.084 1.00 0.00 C ATOM 569 CZ PHE A 37 0.894 -9.299 -0.764 1.00 0.00 C ATOM 0 H PHE A 37 -3.118 -10.303 -3.986 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.924 -10.156 -1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.943 -8.294 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.445 -7.643 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.068 -10.037 -3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.954 -7.613 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.210 -10.486 -2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.324 -8.061 0.857 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.878 -9.493 -0.363 1.00 0.00 H new ATOM 579 N LEU A 38 -5.948 -9.240 -3.559 1.00 0.00 N ATOM 580 CA LEU A 38 -7.295 -8.776 -3.843 1.00 0.00 C ATOM 581 C LEU A 38 -8.304 -9.803 -3.325 1.00 0.00 C ATOM 582 O LEU A 38 -9.188 -9.467 -2.538 1.00 0.00 O ATOM 583 CB LEU A 38 -7.450 -8.459 -5.332 1.00 0.00 C ATOM 584 CG LEU A 38 -6.570 -7.331 -5.873 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.796 -7.130 -7.373 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.788 -6.039 -5.082 1.00 0.00 C ATOM 0 H LEU A 38 -5.449 -9.619 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.494 -7.841 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.236 -9.364 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.492 -8.203 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.527 -7.618 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.158 -6.322 -7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.551 -8.050 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.840 -6.875 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.151 -5.253 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.832 -5.736 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.537 -6.207 -4.035 1.00 0.00 H new ATOM 598 N MET A 39 -8.138 -11.033 -3.786 1.00 0.00 N ATOM 599 CA MET A 39 -9.023 -12.111 -3.379 1.00 0.00 C ATOM 600 C MET A 39 -8.795 -12.484 -1.913 1.00 0.00 C ATOM 601 O MET A 39 -9.679 -13.042 -1.265 1.00 0.00 O ATOM 602 CB MET A 39 -8.775 -13.337 -4.261 1.00 0.00 C ATOM 603 CG MET A 39 -8.996 -13.003 -5.738 1.00 0.00 C ATOM 604 SD MET A 39 -8.958 -14.496 -6.714 1.00 0.00 S ATOM 605 CE MET A 39 -7.208 -14.848 -6.675 1.00 0.00 C ATOM 0 H MET A 39 -7.403 -11.308 -4.438 1.00 0.00 H new ATOM 0 HA MET A 39 -10.053 -11.772 -3.493 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.756 -13.695 -4.114 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.443 -14.145 -3.963 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.954 -12.499 -5.866 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.225 -12.314 -6.083 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.805 -14.801 -7.687 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.703 -14.113 -6.048 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.047 -15.845 -6.266 1.00 0.00 H new ATOM 615 N HIS A 40 -7.604 -12.159 -1.431 1.00 0.00 N ATOM 616 CA HIS A 40 -7.248 -12.452 -0.053 1.00 0.00 C ATOM 617 C HIS A 40 -6.656 -11.202 0.601 1.00 0.00 C ATOM 618 O HIS A 40 -5.468 -11.166 0.917 1.00 0.00 O ATOM 619 CB HIS A 40 -6.312 -13.660 0.021 1.00 0.00 C ATOM 620 CG HIS A 40 -6.785 -14.853 -0.775 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.746 -15.733 -0.308 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.420 -15.301 -2.010 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.941 -16.665 -1.229 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.119 -16.396 -2.283 1.00 0.00 N ATOM 0 H HIS A 40 -6.873 -11.695 -1.971 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.142 -12.724 0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.326 -13.365 -0.337 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.197 -13.954 1.064 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -8.223 -15.674 0.592 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.686 -14.843 -2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.631 -17.493 -1.157 1.00 0.00 H new ATOM 632 N PRO A 41 -7.535 -10.181 0.790 1.00 0.00 N ATOM 633 CA PRO A 41 -7.112 -8.933 1.401 1.00 0.00 C ATOM 634 C PRO A 41 -6.924 -9.097 2.911 1.00 0.00 C ATOM 635 O PRO A 41 -6.202 -8.323 3.538 1.00 0.00 O ATOM 636 CB PRO A 41 -8.198 -7.931 1.043 1.00 0.00 C ATOM 637 CG PRO A 41 -9.411 -8.757 0.645 1.00 0.00 C ATOM 638 CD PRO A 41 -8.950 -10.189 0.429 1.00 0.00 C ATOM 0 HA PRO A 41 -6.141 -8.595 1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.427 -7.284 1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.879 -7.285 0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.173 -8.715 1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.861 -8.360 -0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.513 -10.885 1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.093 -10.499 -0.606 1.00 0.00 H new ATOM 646 N GLU A 42 -7.586 -10.110 3.451 1.00 0.00 N ATOM 647 CA GLU A 42 -7.502 -10.385 4.875 1.00 0.00 C ATOM 648 C GLU A 42 -6.232 -11.180 5.187 1.00 0.00 C ATOM 649 O GLU A 42 -5.627 -11.001 6.243 1.00 0.00 O ATOM 650 CB GLU A 42 -8.747 -11.127 5.365 1.00 0.00 C ATOM 651 CG GLU A 42 -9.728 -10.165 6.039 1.00 0.00 C ATOM 652 CD GLU A 42 -9.838 -10.456 7.537 1.00 0.00 C ATOM 653 OE1 GLU A 42 -10.706 -11.282 7.893 1.00 0.00 O ATOM 654 OE2 GLU A 42 -9.051 -9.845 8.293 1.00 0.00 O ATOM 0 H GLU A 42 -8.183 -10.750 2.928 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.453 -9.435 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.235 -11.620 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.456 -11.908 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.397 -9.137 5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.710 -10.256 5.574 1.00 0.00 H new ATOM 661 N GLU A 43 -5.865 -12.040 4.249 1.00 0.00 N ATOM 662 CA GLU A 43 -4.678 -12.863 4.411 1.00 0.00 C ATOM 663 C GLU A 43 -3.440 -12.111 3.917 1.00 0.00 C ATOM 664 O GLU A 43 -2.430 -12.045 4.616 1.00 0.00 O ATOM 665 CB GLU A 43 -4.834 -14.200 3.683 1.00 0.00 C ATOM 666 CG GLU A 43 -6.057 -14.964 4.196 1.00 0.00 C ATOM 667 CD GLU A 43 -7.354 -14.279 3.761 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.747 -14.497 2.594 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.923 -13.554 4.605 1.00 0.00 O ATOM 0 H GLU A 43 -6.368 -12.185 3.374 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.550 -13.077 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.933 -14.025 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.937 -14.803 3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.037 -15.986 3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.021 -15.026 5.284 1.00 0.00 H new ATOM 676 N LEU A 44 -3.559 -11.564 2.716 1.00 0.00 N ATOM 677 CA LEU A 44 -2.463 -10.820 2.121 1.00 0.00 C ATOM 678 C LEU A 44 -2.874 -9.355 1.960 1.00 0.00 C ATOM 679 O LEU A 44 -3.823 -9.048 1.240 1.00 0.00 O ATOM 680 CB LEU A 44 -2.014 -11.479 0.816 1.00 0.00 C ATOM 681 CG LEU A 44 -2.072 -13.008 0.782 1.00 0.00 C ATOM 682 CD1 LEU A 44 -2.073 -13.524 -0.658 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.938 -13.618 1.609 1.00 0.00 C ATOM 0 H LEU A 44 -4.398 -11.622 2.139 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.592 -10.837 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.633 -11.094 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.990 -11.169 0.609 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.010 -13.325 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.115 -14.613 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.942 -13.129 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.163 -13.197 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.002 -14.705 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.021 -13.296 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.024 -13.288 2.644 1.00 0.00 H new ATOM 695 N PHE A 45 -2.139 -8.489 2.643 1.00 0.00 N ATOM 696 CA PHE A 45 -2.416 -7.063 2.585 1.00 0.00 C ATOM 697 C PHE A 45 -1.128 -6.249 2.720 1.00 0.00 C ATOM 698 O PHE A 45 -0.039 -6.814 2.817 1.00 0.00 O ATOM 699 CB PHE A 45 -3.337 -6.738 3.763 1.00 0.00 C ATOM 700 CG PHE A 45 -2.771 -7.144 5.125 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.962 -6.289 5.807 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.077 -8.359 5.654 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.438 -6.666 7.072 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.553 -8.735 6.919 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.744 -7.881 7.601 1.00 0.00 C ATOM 0 H PHE A 45 -1.353 -8.747 3.239 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.875 -6.811 1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.538 -5.667 3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.293 -7.241 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.718 -5.324 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.719 -9.038 5.112 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.796 -5.987 7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.797 -9.699 7.340 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.344 -8.167 8.563 1.00 0.00 H new ATOM 715 N VAL A 46 -1.294 -4.934 2.722 1.00 0.00 N ATOM 716 CA VAL A 46 -0.158 -4.037 2.843 1.00 0.00 C ATOM 717 C VAL A 46 -0.388 -3.087 4.021 1.00 0.00 C ATOM 718 O VAL A 46 -1.509 -2.636 4.250 1.00 0.00 O ATOM 719 CB VAL A 46 0.073 -3.303 1.520 1.00 0.00 C ATOM 720 CG1 VAL A 46 1.049 -2.139 1.702 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.565 -4.267 0.438 1.00 0.00 C ATOM 0 H VAL A 46 -2.198 -4.469 2.642 1.00 0.00 H new ATOM 0 HA VAL A 46 0.752 -4.599 3.051 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.882 -2.891 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.196 -1.634 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.643 -1.433 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.005 -2.519 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.722 -3.721 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.504 -4.721 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.180 -5.047 0.280 1.00 0.00 H new ATOM 731 N VAL A 47 0.693 -2.812 4.737 1.00 0.00 N ATOM 732 CA VAL A 47 0.623 -1.924 5.885 1.00 0.00 C ATOM 733 C VAL A 47 1.582 -0.750 5.675 1.00 0.00 C ATOM 734 O VAL A 47 2.639 -0.909 5.066 1.00 0.00 O ATOM 735 CB VAL A 47 0.908 -2.706 7.169 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.306 -3.543 7.581 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.151 -3.584 7.012 1.00 0.00 C ATOM 0 H VAL A 47 1.621 -3.188 4.544 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.380 -1.510 5.988 1.00 0.00 H new ATOM 0 HB VAL A 47 1.105 -1.986 7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.078 -4.089 8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.159 -2.887 7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.547 -4.250 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.331 -4.129 7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.995 -4.293 6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.013 -2.957 6.787 1.00 0.00 H new ATOM 747 N GLY A 48 1.179 0.401 6.192 1.00 0.00 N ATOM 748 CA GLY A 48 1.989 1.601 6.069 1.00 0.00 C ATOM 749 C GLY A 48 1.392 2.563 5.040 1.00 0.00 C ATOM 750 O GLY A 48 1.567 3.776 5.144 1.00 0.00 O ATOM 0 H GLY A 48 0.302 0.528 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.060 2.097 7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.003 1.331 5.774 1.00 0.00 H new ATOM 754 N LEU A 49 0.697 1.985 4.071 1.00 0.00 N ATOM 755 CA LEU A 49 0.073 2.776 3.024 1.00 0.00 C ATOM 756 C LEU A 49 -0.565 4.021 3.643 1.00 0.00 C ATOM 757 O LEU A 49 -0.932 4.016 4.817 1.00 0.00 O ATOM 758 CB LEU A 49 -0.905 1.920 2.217 1.00 0.00 C ATOM 759 CG LEU A 49 -0.287 1.043 1.126 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.258 -0.055 0.688 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.189 1.892 -0.055 1.00 0.00 C ATOM 0 H LEU A 49 0.552 0.979 3.989 1.00 0.00 H new ATOM 0 HA LEU A 49 0.821 3.122 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.449 1.276 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.637 2.580 1.753 1.00 0.00 H new ATOM 0 HG LEU A 49 0.591 0.548 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.793 -0.663 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.505 -0.684 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.168 0.399 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.624 1.245 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.657 2.433 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.940 2.604 0.288 1.00 0.00 H new ATOM 773 N PRO A 50 -0.682 5.085 2.804 1.00 0.00 N ATOM 774 CA PRO A 50 -1.270 6.334 3.257 1.00 0.00 C ATOM 775 C PRO A 50 -2.791 6.214 3.372 1.00 0.00 C ATOM 776 O PRO A 50 -3.353 5.147 3.133 1.00 0.00 O ATOM 777 CB PRO A 50 -0.832 7.369 2.233 1.00 0.00 C ATOM 778 CG PRO A 50 -0.408 6.584 1.002 1.00 0.00 C ATOM 779 CD PRO A 50 -0.259 5.127 1.407 1.00 0.00 C ATOM 0 HA PRO A 50 -0.939 6.617 4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.646 8.055 1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.008 7.972 2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.150 6.686 0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.533 6.969 0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.877 4.478 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.771 4.788 1.295 1.00 0.00 H new ATOM 787 N GLU A 51 -3.414 7.324 3.739 1.00 0.00 N ATOM 788 CA GLU A 51 -4.859 7.357 3.889 1.00 0.00 C ATOM 789 C GLU A 51 -5.531 7.490 2.521 1.00 0.00 C ATOM 790 O GLU A 51 -5.008 8.158 1.630 1.00 0.00 O ATOM 791 CB GLU A 51 -5.287 8.490 4.824 1.00 0.00 C ATOM 792 CG GLU A 51 -6.159 7.961 5.963 1.00 0.00 C ATOM 793 CD GLU A 51 -6.494 9.072 6.960 1.00 0.00 C ATOM 794 OE1 GLU A 51 -5.548 9.533 7.635 1.00 0.00 O ATOM 795 OE2 GLU A 51 -7.688 9.437 7.024 1.00 0.00 O ATOM 0 H GLU A 51 -2.944 8.208 3.937 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.180 6.418 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.404 8.980 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.837 9.243 4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.080 7.543 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.641 7.151 6.476 1.00 0.00 H new ATOM 802 N GLY A 52 -6.682 6.845 2.398 1.00 0.00 N ATOM 803 CA GLY A 52 -7.432 6.882 1.154 1.00 0.00 C ATOM 804 C GLY A 52 -6.656 6.200 0.025 1.00 0.00 C ATOM 805 O GLY A 52 -6.800 6.565 -1.141 1.00 0.00 O ATOM 0 H GLY A 52 -7.114 6.294 3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.393 6.387 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.642 7.917 0.882 1.00 0.00 H new ATOM 809 N ILE A 53 -5.850 5.221 0.411 1.00 0.00 N ATOM 810 CA ILE A 53 -5.052 4.485 -0.553 1.00 0.00 C ATOM 811 C ILE A 53 -4.930 3.028 -0.101 1.00 0.00 C ATOM 812 O ILE A 53 -4.738 2.756 1.083 1.00 0.00 O ATOM 813 CB ILE A 53 -3.705 5.176 -0.773 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.898 6.646 -1.149 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.866 4.424 -1.809 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.577 7.275 -1.598 1.00 0.00 C ATOM 0 H ILE A 53 -5.733 4.921 1.379 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.542 4.477 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.152 5.154 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.634 6.727 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.294 7.195 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.914 4.936 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.684 3.407 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.402 4.393 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.742 8.320 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.851 7.214 -0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.196 6.739 -2.467 1.00 0.00 H new ATOM 828 N SER A 54 -5.045 2.130 -1.069 1.00 0.00 N ATOM 829 CA SER A 54 -4.950 0.708 -0.785 1.00 0.00 C ATOM 830 C SER A 54 -3.888 0.066 -1.680 1.00 0.00 C ATOM 831 O SER A 54 -2.926 0.721 -2.076 1.00 0.00 O ATOM 832 CB SER A 54 -6.300 0.015 -0.982 1.00 0.00 C ATOM 833 OG SER A 54 -6.554 -0.955 0.030 1.00 0.00 O ATOM 0 H SER A 54 -5.203 2.360 -2.050 1.00 0.00 H new ATOM 0 HA SER A 54 -4.659 0.586 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.095 0.761 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.321 -0.467 -1.960 1.00 0.00 H new ATOM 0 HG SER A 54 -7.425 -1.374 -0.130 1.00 0.00 H new ATOM 839 N LEU A 55 -4.100 -1.209 -1.974 1.00 0.00 N ATOM 840 CA LEU A 55 -3.174 -1.947 -2.815 1.00 0.00 C ATOM 841 C LEU A 55 -3.814 -2.185 -4.185 1.00 0.00 C ATOM 842 O LEU A 55 -4.768 -2.952 -4.303 1.00 0.00 O ATOM 843 CB LEU A 55 -2.721 -3.230 -2.116 1.00 0.00 C ATOM 844 CG LEU A 55 -1.767 -4.125 -2.910 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.479 -3.378 -3.260 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.487 -5.429 -2.160 1.00 0.00 C ATOM 0 H LEU A 55 -4.900 -1.749 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.267 -1.366 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.236 -2.958 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.606 -3.813 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.251 -4.391 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.182 -4.036 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.719 -2.502 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.019 -3.063 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.806 -6.047 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.033 -5.203 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.422 -5.967 -2.004 1.00 0.00 H new ATOM 858 N ARG A 56 -3.263 -1.512 -5.185 1.00 0.00 N ATOM 859 CA ARG A 56 -3.768 -1.641 -6.541 1.00 0.00 C ATOM 860 C ARG A 56 -2.732 -1.129 -7.544 1.00 0.00 C ATOM 861 O ARG A 56 -1.850 -0.350 -7.188 1.00 0.00 O ATOM 862 CB ARG A 56 -5.071 -0.859 -6.720 1.00 0.00 C ATOM 863 CG ARG A 56 -6.246 -1.596 -6.073 1.00 0.00 C ATOM 864 CD ARG A 56 -7.560 -1.259 -6.780 1.00 0.00 C ATOM 865 NE ARG A 56 -8.548 -2.338 -6.553 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.817 -2.297 -6.981 1.00 0.00 C ATOM 867 NH1 ARG A 56 -10.260 -1.231 -7.662 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.643 -3.322 -6.729 1.00 0.00 N ATOM 0 H ARG A 56 -2.472 -0.876 -5.083 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.964 -2.698 -6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.969 0.131 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.269 -0.713 -7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.072 -2.671 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.315 -1.324 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.951 -0.312 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.386 -1.133 -7.849 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.244 -3.164 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.631 -0.451 -7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.226 -1.199 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.306 -4.133 -6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.609 -3.291 -7.055 1.00 0.00 H new ATOM 882 N ARG A 57 -2.874 -1.589 -8.779 1.00 0.00 N ATOM 883 CA ARG A 57 -1.961 -1.187 -9.836 1.00 0.00 C ATOM 884 C ARG A 57 -1.684 0.315 -9.755 1.00 0.00 C ATOM 885 O ARG A 57 -2.592 1.104 -9.497 1.00 0.00 O ATOM 886 CB ARG A 57 -2.535 -1.520 -11.214 1.00 0.00 C ATOM 887 CG ARG A 57 -1.802 -2.708 -11.841 1.00 0.00 C ATOM 888 CD ARG A 57 -2.755 -3.558 -12.684 1.00 0.00 C ATOM 889 NE ARG A 57 -1.986 -4.531 -13.491 1.00 0.00 N ATOM 890 CZ ARG A 57 -2.544 -5.473 -14.264 1.00 0.00 C ATOM 891 NH1 ARG A 57 -3.878 -5.575 -14.339 1.00 0.00 N ATOM 892 NH2 ARG A 57 -1.767 -6.314 -14.961 1.00 0.00 N ATOM 0 H ARG A 57 -3.607 -2.236 -9.071 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.031 -1.739 -9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.597 -1.750 -11.124 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.451 -0.651 -11.867 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.983 -2.347 -12.464 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.359 -3.322 -11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.456 -4.084 -12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.345 -2.917 -13.338 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.968 -4.482 -13.457 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.469 -4.936 -13.808 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.302 -6.292 -14.927 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.752 -6.237 -14.903 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.191 -7.031 -15.549 1.00 0.00 H new ATOM 906 N PRO A 58 -0.393 0.675 -9.987 1.00 0.00 N ATOM 907 CA PRO A 58 0.015 2.069 -9.944 1.00 0.00 C ATOM 908 C PRO A 58 -0.454 2.816 -11.193 1.00 0.00 C ATOM 909 O PRO A 58 0.343 3.465 -11.869 1.00 0.00 O ATOM 910 CB PRO A 58 1.528 2.031 -9.806 1.00 0.00 C ATOM 911 CG PRO A 58 1.952 0.639 -10.244 1.00 0.00 C ATOM 912 CD PRO A 58 0.708 -0.233 -10.296 1.00 0.00 C ATOM 0 HA PRO A 58 -0.434 2.614 -9.113 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.996 2.795 -10.427 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.831 2.226 -8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.433 0.676 -11.221 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.680 0.225 -9.546 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.583 -0.687 -11.279 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.765 -1.047 -9.574 1.00 0.00 H new ATOM 920 N ASN A 59 -1.746 2.701 -11.463 1.00 0.00 N ATOM 921 CA ASN A 59 -2.331 3.358 -12.620 1.00 0.00 C ATOM 922 C ASN A 59 -3.692 3.942 -12.236 1.00 0.00 C ATOM 923 O ASN A 59 -4.001 5.082 -12.578 1.00 0.00 O ATOM 924 CB ASN A 59 -2.548 2.367 -13.765 1.00 0.00 C ATOM 925 CG ASN A 59 -3.471 2.957 -14.833 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.592 4.161 -14.990 1.00 0.00 O ATOM 927 ND2 ASN A 59 -4.113 2.045 -15.557 1.00 0.00 N ATOM 0 H ASN A 59 -2.405 2.162 -10.900 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.646 4.141 -12.945 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.589 2.106 -14.212 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.979 1.445 -13.376 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.752 2.338 -16.296 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.966 1.052 -15.374 1.00 0.00 H new ATOM 934 N CYS A 60 -4.469 3.134 -11.529 1.00 0.00 N ATOM 935 CA CYS A 60 -5.789 3.556 -11.094 1.00 0.00 C ATOM 936 C CYS A 60 -5.631 4.406 -9.833 1.00 0.00 C ATOM 937 O CYS A 60 -6.258 4.131 -8.811 1.00 0.00 O ATOM 938 CB CYS A 60 -6.718 2.362 -10.865 1.00 0.00 C ATOM 939 SG CYS A 60 -8.442 2.824 -11.266 1.00 0.00 S ATOM 0 H CYS A 60 -4.209 2.189 -11.247 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.258 4.153 -11.876 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.404 1.522 -11.485 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.653 2.034 -9.828 1.00 0.00 H new ATOM 0 HG CYS A 60 -9.222 1.802 -11.070 1.00 0.00 H new ATOM 945 N PHE A 61 -4.788 5.423 -9.945 1.00 0.00 N ATOM 946 CA PHE A 61 -4.539 6.316 -8.825 1.00 0.00 C ATOM 947 C PHE A 61 -4.262 7.740 -9.311 1.00 0.00 C ATOM 948 O PHE A 61 -4.247 7.997 -10.514 1.00 0.00 O ATOM 949 CB PHE A 61 -3.301 5.787 -8.099 1.00 0.00 C ATOM 950 CG PHE A 61 -3.570 4.565 -7.219 1.00 0.00 C ATOM 951 CD1 PHE A 61 -3.497 3.315 -7.750 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.884 4.728 -5.905 1.00 0.00 C ATOM 953 CE1 PHE A 61 -3.747 2.180 -6.933 1.00 0.00 C ATOM 954 CE2 PHE A 61 -4.134 3.593 -5.089 1.00 0.00 C ATOM 955 CZ PHE A 61 -4.060 2.344 -5.620 1.00 0.00 C ATOM 0 H PHE A 61 -4.269 5.648 -10.794 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.411 6.347 -8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.542 5.530 -8.837 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.887 6.583 -7.480 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.249 3.185 -8.793 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.943 5.720 -5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.688 1.187 -7.355 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.383 3.722 -4.046 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.250 1.481 -4.999 1.00 0.00 H new ATOM 965 N GLY A 62 -4.048 8.627 -8.351 1.00 0.00 N ATOM 966 CA GLY A 62 -3.772 10.018 -8.665 1.00 0.00 C ATOM 967 C GLY A 62 -2.321 10.377 -8.338 1.00 0.00 C ATOM 968 O GLY A 62 -1.734 9.818 -7.413 1.00 0.00 O ATOM 0 H GLY A 62 -4.060 8.409 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.966 10.201 -9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.446 10.662 -8.100 1.00 0.00 H new ATOM 972 N ILE A 63 -1.785 11.307 -9.114 1.00 0.00 N ATOM 973 CA ILE A 63 -0.414 11.747 -8.918 1.00 0.00 C ATOM 974 C ILE A 63 -0.127 11.854 -7.419 1.00 0.00 C ATOM 975 O ILE A 63 0.788 11.209 -6.911 1.00 0.00 O ATOM 976 CB ILE A 63 -0.152 13.043 -9.688 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.179 12.752 -11.153 1.00 0.00 C ATOM 978 CG2 ILE A 63 0.938 13.874 -9.008 1.00 0.00 C ATOM 979 CD1 ILE A 63 -1.003 13.099 -12.061 1.00 0.00 C ATOM 0 H ILE A 63 -2.275 11.768 -9.880 1.00 0.00 H new ATOM 0 HA ILE A 63 0.283 11.015 -9.325 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.065 13.638 -9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.054 13.328 -11.453 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.435 11.699 -11.270 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.105 14.790 -9.575 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.624 14.127 -7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.863 13.298 -8.968 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.742 12.883 -13.097 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.870 12.504 -11.774 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.241 14.158 -11.960 1.00 0.00 H new ATOM 991 N ALA A 64 -0.927 12.674 -6.752 1.00 0.00 N ATOM 992 CA ALA A 64 -0.770 12.874 -5.322 1.00 0.00 C ATOM 993 C ALA A 64 -0.640 11.514 -4.633 1.00 0.00 C ATOM 994 O ALA A 64 0.260 11.310 -3.820 1.00 0.00 O ATOM 995 CB ALA A 64 -1.951 13.688 -4.788 1.00 0.00 C ATOM 0 H ALA A 64 -1.686 13.207 -7.176 1.00 0.00 H new ATOM 0 HA ALA A 64 0.138 13.439 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.834 13.838 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.982 14.656 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.880 13.150 -4.980 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.552 10.619 -4.983 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.551 9.285 -4.408 1.00 0.00 C ATOM 1003 C LYS A 65 -0.188 8.631 -4.650 1.00 0.00 C ATOM 1004 O LYS A 65 0.530 8.317 -3.703 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.728 8.469 -4.945 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.062 9.108 -4.555 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.221 8.132 -4.765 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.459 8.574 -3.983 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.691 8.253 -4.738 1.00 0.00 N ATOM 0 H LYS A 65 -2.297 10.792 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.694 9.335 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.659 8.396 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.679 7.453 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.029 9.419 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.226 10.006 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.460 8.069 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.922 7.133 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.480 8.077 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.412 9.646 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.522 8.560 -4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.676 8.747 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.742 7.227 -4.899 1.00 0.00 H new ATOM 1023 N LEU A 66 0.126 8.447 -5.924 1.00 0.00 N ATOM 1024 CA LEU A 66 1.389 7.837 -6.303 1.00 0.00 C ATOM 1025 C LEU A 66 2.499 8.366 -5.392 1.00 0.00 C ATOM 1026 O LEU A 66 3.277 7.589 -4.841 1.00 0.00 O ATOM 1027 CB LEU A 66 1.662 8.051 -7.793 1.00 0.00 C ATOM 1028 CG LEU A 66 0.660 7.413 -8.757 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.873 7.921 -10.184 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.718 5.886 -8.677 1.00 0.00 C ATOM 0 H LEU A 66 -0.473 8.710 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 66 1.348 6.757 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.690 9.123 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.654 7.660 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.343 7.713 -8.455 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.148 7.452 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.741 9.003 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.882 7.671 -10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.004 5.458 -9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.720 5.546 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.480 5.565 -7.663 1.00 0.00 H new ATOM 1042 N ARG A 67 2.536 9.684 -5.261 1.00 0.00 N ATOM 1043 CA ARG A 67 3.538 10.325 -4.427 1.00 0.00 C ATOM 1044 C ARG A 67 3.404 9.851 -2.978 1.00 0.00 C ATOM 1045 O ARG A 67 4.355 9.320 -2.405 1.00 0.00 O ATOM 1046 CB ARG A 67 3.399 11.848 -4.472 1.00 0.00 C ATOM 1047 CG ARG A 67 3.811 12.395 -5.841 1.00 0.00 C ATOM 1048 CD ARG A 67 3.979 13.915 -5.795 1.00 0.00 C ATOM 1049 NE ARG A 67 5.404 14.273 -5.974 1.00 0.00 N ATOM 1050 CZ ARG A 67 5.846 15.521 -6.180 1.00 0.00 C ATOM 1051 NH1 ARG A 67 4.976 16.538 -6.235 1.00 0.00 N ATOM 1052 NH2 ARG A 67 7.157 15.751 -6.331 1.00 0.00 N ATOM 0 H ARG A 67 1.888 10.325 -5.719 1.00 0.00 H new ATOM 0 HA ARG A 67 4.519 10.049 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.368 12.129 -4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.019 12.297 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.746 11.931 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.058 12.131 -6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.378 14.379 -6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.616 14.301 -4.842 1.00 0.00 H new ATOM 0 HE ARG A 67 6.093 13.522 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.978 16.362 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.312 17.488 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.819 14.976 -6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.493 16.701 -6.488 1.00 0.00 H new ATOM 1066 N LYS A 68 2.217 10.059 -2.428 1.00 0.00 N ATOM 1067 CA LYS A 68 1.947 9.659 -1.057 1.00 0.00 C ATOM 1068 C LYS A 68 2.570 8.286 -0.799 1.00 0.00 C ATOM 1069 O LYS A 68 3.475 8.156 0.024 1.00 0.00 O ATOM 1070 CB LYS A 68 0.446 9.718 -0.768 1.00 0.00 C ATOM 1071 CG LYS A 68 0.088 10.981 0.017 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.813 11.902 -0.808 1.00 0.00 C ATOM 1073 CE LYS A 68 -2.285 11.698 -0.444 1.00 0.00 C ATOM 1074 NZ LYS A 68 -3.142 12.634 -1.206 1.00 0.00 N ATOM 0 H LYS A 68 1.431 10.499 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 68 2.410 10.356 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.109 9.699 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.146 8.836 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.417 10.707 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.999 11.511 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.533 12.941 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.666 11.704 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.579 10.670 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.426 11.855 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.138 12.482 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.871 13.613 -0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.020 12.465 -2.225 1.00 0.00 H new ATOM 1088 N ILE A 69 2.061 7.296 -1.517 1.00 0.00 N ATOM 1089 CA ILE A 69 2.557 5.937 -1.376 1.00 0.00 C ATOM 1090 C ILE A 69 4.086 5.958 -1.334 1.00 0.00 C ATOM 1091 O ILE A 69 4.692 5.423 -0.407 1.00 0.00 O ATOM 1092 CB ILE A 69 1.984 5.041 -2.476 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.482 4.827 -2.283 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.747 3.717 -2.557 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.181 4.378 -3.587 1.00 0.00 C ATOM 0 H ILE A 69 1.310 7.407 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 69 2.218 5.504 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 69 2.116 5.547 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.314 4.078 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.021 5.752 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.320 3.099 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.796 3.914 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.669 3.193 -1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.249 4.233 -3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.033 5.140 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.265 3.440 -3.918 1.00 0.00 H new ATOM 1107 N LEU A 70 4.666 6.583 -2.348 1.00 0.00 N ATOM 1108 CA LEU A 70 6.112 6.680 -2.439 1.00 0.00 C ATOM 1109 C LEU A 70 6.655 7.342 -1.170 1.00 0.00 C ATOM 1110 O LEU A 70 7.676 6.917 -0.632 1.00 0.00 O ATOM 1111 CB LEU A 70 6.522 7.395 -3.728 1.00 0.00 C ATOM 1112 CG LEU A 70 6.272 6.628 -5.028 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.469 7.534 -6.245 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.144 5.373 -5.101 1.00 0.00 C ATOM 0 H LEU A 70 4.160 7.027 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 70 6.557 5.687 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.987 8.343 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.584 7.631 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 70 5.233 6.299 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.285 6.965 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.772 8.370 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.491 7.914 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.947 4.847 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.195 5.658 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.912 4.719 -4.260 1.00 0.00 H new ATOM 1126 N GLU A 71 5.947 8.372 -0.729 1.00 0.00 N ATOM 1127 CA GLU A 71 6.344 9.096 0.466 1.00 0.00 C ATOM 1128 C GLU A 71 6.185 8.209 1.702 1.00 0.00 C ATOM 1129 O GLU A 71 6.838 8.434 2.720 1.00 0.00 O ATOM 1130 CB GLU A 71 5.544 10.392 0.613 1.00 0.00 C ATOM 1131 CG GLU A 71 5.663 11.256 -0.644 1.00 0.00 C ATOM 1132 CD GLU A 71 5.850 12.730 -0.280 1.00 0.00 C ATOM 1133 OE1 GLU A 71 6.762 13.003 0.530 1.00 0.00 O ATOM 1134 OE2 GLU A 71 5.078 13.551 -0.821 1.00 0.00 O ATOM 0 H GLU A 71 5.101 8.722 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 71 7.396 9.366 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.496 10.157 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.904 10.950 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.507 10.916 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.769 11.139 -1.256 1.00 0.00 H new ATOM 1141 N ALA A 72 5.312 7.221 1.573 1.00 0.00 N ATOM 1142 CA ALA A 72 5.058 6.299 2.667 1.00 0.00 C ATOM 1143 C ALA A 72 5.701 4.947 2.349 1.00 0.00 C ATOM 1144 O ALA A 72 5.288 3.919 2.883 1.00 0.00 O ATOM 1145 CB ALA A 72 3.551 6.187 2.901 1.00 0.00 C ATOM 0 H ALA A 72 4.771 7.039 0.727 1.00 0.00 H new ATOM 0 HA ALA A 72 5.505 6.667 3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.361 5.495 3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.148 7.168 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.069 5.818 1.996 1.00 0.00 H new ATOM 1151 N SER A 73 6.701 4.993 1.481 1.00 0.00 N ATOM 1152 CA SER A 73 7.404 3.785 1.085 1.00 0.00 C ATOM 1153 C SER A 73 7.979 3.086 2.319 1.00 0.00 C ATOM 1154 O SER A 73 7.537 1.997 2.682 1.00 0.00 O ATOM 1155 CB SER A 73 8.519 4.099 0.086 1.00 0.00 C ATOM 1156 OG SER A 73 9.553 4.887 0.669 1.00 0.00 O ATOM 0 H SER A 73 7.041 5.848 1.041 1.00 0.00 H new ATOM 0 HA SER A 73 6.692 3.120 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.942 3.167 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.100 4.627 -0.770 1.00 0.00 H new ATOM 0 HG SER A 73 9.380 5.836 0.494 1.00 0.00 H new ATOM 1162 N ASN A 74 8.955 3.741 2.930 1.00 0.00 N ATOM 1163 CA ASN A 74 9.595 3.196 4.115 1.00 0.00 C ATOM 1164 C ASN A 74 8.531 2.579 5.025 1.00 0.00 C ATOM 1165 O ASN A 74 8.714 1.479 5.543 1.00 0.00 O ATOM 1166 CB ASN A 74 10.315 4.291 4.905 1.00 0.00 C ATOM 1167 CG ASN A 74 11.820 4.021 4.969 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.434 3.553 4.024 1.00 0.00 O ATOM 1169 ND2 ASN A 74 12.378 4.340 6.133 1.00 0.00 N ATOM 0 H ASN A 74 9.318 4.644 2.627 1.00 0.00 H new ATOM 0 HA ASN A 74 10.319 2.448 3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.135 5.259 4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.908 4.343 5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.378 4.197 6.276 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.806 4.728 6.883 1.00 0.00 H new ATOM 1176 N SER A 75 7.442 3.315 5.193 1.00 0.00 N ATOM 1177 CA SER A 75 6.349 2.854 6.031 1.00 0.00 C ATOM 1178 C SER A 75 5.687 1.627 5.401 1.00 0.00 C ATOM 1179 O SER A 75 5.480 0.616 6.070 1.00 0.00 O ATOM 1180 CB SER A 75 5.316 3.962 6.248 1.00 0.00 C ATOM 1181 OG SER A 75 5.701 4.855 7.290 1.00 0.00 O ATOM 0 H SER A 75 7.294 4.228 4.763 1.00 0.00 H new ATOM 0 HA SER A 75 6.757 2.579 7.004 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.184 4.521 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.352 3.516 6.491 1.00 0.00 H new ATOM 0 HG SER A 75 5.017 5.548 7.396 1.00 0.00 H new ATOM 1187 N ILE A 76 5.373 1.756 4.120 1.00 0.00 N ATOM 1188 CA ILE A 76 4.739 0.671 3.392 1.00 0.00 C ATOM 1189 C ILE A 76 5.459 -0.641 3.712 1.00 0.00 C ATOM 1190 O ILE A 76 6.658 -0.644 3.989 1.00 0.00 O ATOM 1191 CB ILE A 76 4.680 0.991 1.897 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.471 1.871 1.572 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.698 -0.290 1.060 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.373 2.135 0.068 1.00 0.00 C ATOM 0 H ILE A 76 5.546 2.596 3.568 1.00 0.00 H new ATOM 0 HA ILE A 76 3.703 0.553 3.710 1.00 0.00 H new ATOM 0 HB ILE A 76 5.572 1.559 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.559 1.385 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.552 2.818 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.655 -0.034 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.615 -0.844 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.837 -0.906 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.505 2.763 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.276 2.643 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.268 1.188 -0.462 1.00 0.00 H new ATOM 1206 N GLN A 77 4.698 -1.724 3.662 1.00 0.00 N ATOM 1207 CA GLN A 77 5.248 -3.039 3.942 1.00 0.00 C ATOM 1208 C GLN A 77 4.232 -4.127 3.589 1.00 0.00 C ATOM 1209 O GLN A 77 3.095 -4.095 4.057 1.00 0.00 O ATOM 1210 CB GLN A 77 5.684 -3.151 5.405 1.00 0.00 C ATOM 1211 CG GLN A 77 6.625 -4.340 5.608 1.00 0.00 C ATOM 1212 CD GLN A 77 7.470 -4.161 6.871 1.00 0.00 C ATOM 1213 OE1 GLN A 77 7.062 -4.487 7.973 1.00 0.00 O ATOM 1214 NE2 GLN A 77 8.667 -3.626 6.649 1.00 0.00 N ATOM 0 H GLN A 77 3.704 -1.718 3.432 1.00 0.00 H new ATOM 0 HA GLN A 77 6.132 -3.180 3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.183 -2.231 5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.807 -3.264 6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.044 -5.259 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.278 -4.444 4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.946 -3.376 5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.306 -3.466 7.427 1.00 0.00 H new ATOM 1223 N PHE A 78 4.678 -5.063 2.765 1.00 0.00 N ATOM 1224 CA PHE A 78 3.821 -6.159 2.343 1.00 0.00 C ATOM 1225 C PHE A 78 3.840 -7.295 3.367 1.00 0.00 C ATOM 1226 O PHE A 78 4.759 -8.112 3.376 1.00 0.00 O ATOM 1227 CB PHE A 78 4.378 -6.675 1.014 1.00 0.00 C ATOM 1228 CG PHE A 78 3.954 -5.849 -0.202 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.151 -4.503 -0.211 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.380 -6.460 -1.273 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.758 -3.736 -1.340 1.00 0.00 C ATOM 1232 CE2 PHE A 78 2.987 -5.693 -2.401 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.184 -4.347 -2.411 1.00 0.00 C ATOM 0 H PHE A 78 5.621 -5.086 2.378 1.00 0.00 H new ATOM 0 HA PHE A 78 2.792 -5.812 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.467 -6.689 1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.053 -7.706 0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.606 -4.018 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.223 -7.529 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.915 -2.667 -1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.531 -6.178 -3.252 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.885 -3.764 -3.269 1.00 0.00 H new ATOM 1243 N VAL A 79 2.814 -7.311 4.205 1.00 0.00 N ATOM 1244 CA VAL A 79 2.701 -8.334 5.230 1.00 0.00 C ATOM 1245 C VAL A 79 2.056 -9.584 4.629 1.00 0.00 C ATOM 1246 O VAL A 79 1.024 -9.497 3.966 1.00 0.00 O ATOM 1247 CB VAL A 79 1.932 -7.785 6.434 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.661 -8.887 7.460 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.678 -6.613 7.073 1.00 0.00 C ATOM 0 H VAL A 79 2.053 -6.632 4.195 1.00 0.00 H new ATOM 0 HA VAL A 79 3.688 -8.621 5.594 1.00 0.00 H new ATOM 0 HB VAL A 79 0.971 -7.415 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.113 -8.470 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.069 -9.677 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.607 -9.300 7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.110 -6.242 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.660 -6.946 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.796 -5.814 6.341 1.00 0.00 H new ATOM 1259 N ILE A 80 2.693 -10.719 4.881 1.00 0.00 N ATOM 1260 CA ILE A 80 2.194 -11.985 4.373 1.00 0.00 C ATOM 1261 C ILE A 80 1.673 -12.828 5.538 1.00 0.00 C ATOM 1262 O ILE A 80 2.362 -12.998 6.543 1.00 0.00 O ATOM 1263 CB ILE A 80 3.268 -12.687 3.538 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.989 -11.694 2.625 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.673 -13.859 2.754 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.044 -11.151 1.551 1.00 0.00 C ATOM 0 H ILE A 80 3.550 -10.787 5.430 1.00 0.00 H new ATOM 0 HA ILE A 80 1.354 -11.820 3.698 1.00 0.00 H new ATOM 0 HB ILE A 80 4.014 -13.099 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.383 -10.869 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.841 -12.182 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.457 -14.341 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.243 -14.581 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.895 -13.492 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.582 -10.447 0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.671 -11.976 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.206 -10.642 2.027 1.00 0.00 H new ATOM 1278 N LYS A 81 0.461 -13.334 5.365 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.161 -14.155 6.391 1.00 0.00 C ATOM 1280 C LYS A 81 -0.278 -15.594 5.884 1.00 0.00 C ATOM 1281 O LYS A 81 0.114 -16.533 6.575 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.495 -13.547 6.828 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.347 -12.051 7.118 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.208 -11.795 8.620 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.522 -11.284 9.213 1.00 0.00 C ATOM 1286 NZ LYS A 81 -2.881 -12.059 10.422 1.00 0.00 N ATOM 0 H LYS A 81 -0.107 -13.192 4.530 1.00 0.00 H new ATOM 0 HA LYS A 81 0.460 -14.181 7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.241 -13.698 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.858 -14.060 7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.473 -11.661 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.214 -11.515 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.911 -12.715 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.417 -11.066 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.427 -10.228 9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.318 -11.365 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.775 -11.699 10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.991 -13.062 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.129 -11.961 11.133 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.819 -15.722 4.681 1.00 0.00 N ATOM 1301 CA ARG A 82 -0.992 -17.030 4.074 1.00 0.00 C ATOM 1302 C ARG A 82 -0.468 -17.022 2.636 1.00 0.00 C ATOM 1303 O ARG A 82 -1.183 -16.633 1.714 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.465 -17.445 4.071 1.00 0.00 C ATOM 1305 CG ARG A 82 -2.963 -17.711 5.493 1.00 0.00 C ATOM 1306 CD ARG A 82 -3.463 -16.422 6.148 1.00 0.00 C ATOM 1307 NE ARG A 82 -3.839 -16.683 7.556 1.00 0.00 N ATOM 1308 CZ ARG A 82 -4.409 -15.776 8.361 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -4.673 -14.545 7.903 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -4.716 -16.101 9.625 1.00 0.00 N ATOM 0 H ARG A 82 -1.143 -14.941 4.111 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.425 -17.748 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.067 -16.660 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.593 -18.341 3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.767 -18.447 5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.158 -18.138 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.687 -15.658 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.322 -16.035 5.599 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.653 -17.611 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.440 -14.298 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.107 -13.855 8.516 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.516 -17.038 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.150 -15.411 10.238 1.00 0.00 H new ATOM 1324 N PRO A 83 0.808 -17.468 2.487 1.00 0.00 N ATOM 1325 CA PRO A 83 1.435 -17.515 1.177 1.00 0.00 C ATOM 1326 C PRO A 83 0.893 -18.684 0.352 1.00 0.00 C ATOM 1327 O PRO A 83 1.120 -18.754 -0.855 1.00 0.00 O ATOM 1328 CB PRO A 83 2.925 -17.627 1.458 1.00 0.00 C ATOM 1329 CG PRO A 83 3.043 -18.105 2.897 1.00 0.00 C ATOM 1330 CD PRO A 83 1.684 -17.937 3.556 1.00 0.00 C ATOM 0 HA PRO A 83 1.222 -16.631 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.400 -18.329 0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.421 -16.666 1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.356 -19.149 2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.800 -17.529 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.328 -18.878 3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.727 -17.220 4.375 1.00 0.00 H new ATOM 1338 N GLU A 84 0.188 -19.573 1.035 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.388 -20.735 0.381 1.00 0.00 C ATOM 1340 C GLU A 84 -1.464 -20.303 -0.618 1.00 0.00 C ATOM 1341 O GLU A 84 -1.823 -21.063 -1.516 1.00 0.00 O ATOM 1342 CB GLU A 84 -0.956 -21.718 1.407 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.210 -21.151 2.073 1.00 0.00 C ATOM 1344 CD GLU A 84 -3.308 -22.212 2.168 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -3.593 -22.829 1.119 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -3.839 -22.382 3.287 1.00 0.00 O ATOM 0 H GLU A 84 0.002 -19.512 2.036 1.00 0.00 H new ATOM 0 HA GLU A 84 0.403 -21.249 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.195 -22.662 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.203 -21.934 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.963 -20.787 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.574 -20.296 1.503 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.947 -19.084 -0.428 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.975 -18.542 -1.300 1.00 0.00 C ATOM 1355 C LEU A 85 -2.366 -18.240 -2.671 1.00 0.00 C ATOM 1356 O LEU A 85 -2.953 -18.569 -3.701 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.649 -17.334 -0.648 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.052 -17.502 0.819 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.638 -16.204 1.379 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.007 -18.684 0.993 1.00 0.00 C ATOM 0 H LEU A 85 -1.645 -18.456 0.317 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.767 -19.274 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.974 -16.482 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.541 -17.086 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.155 -17.725 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.916 -16.351 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.895 -15.410 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.521 -15.926 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.278 -18.781 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.906 -18.515 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.518 -19.599 0.658 1.00 0.00 H new ATOM 1372 N LEU A 86 -1.197 -17.617 -2.640 1.00 0.00 N ATOM 1373 CA LEU A 86 -0.502 -17.267 -3.867 1.00 0.00 C ATOM 1374 C LEU A 86 -0.641 -18.414 -4.871 1.00 0.00 C ATOM 1375 O LEU A 86 -1.023 -18.195 -6.020 1.00 0.00 O ATOM 1376 CB LEU A 86 0.948 -16.882 -3.571 1.00 0.00 C ATOM 1377 CG LEU A 86 1.154 -15.843 -2.466 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.626 -15.442 -2.357 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.244 -14.631 -2.677 1.00 0.00 C ATOM 0 H LEU A 86 -0.713 -17.346 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.954 -16.386 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.495 -17.785 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.397 -16.501 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 86 0.873 -16.296 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.744 -14.703 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.227 -16.322 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.958 -15.015 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.410 -13.908 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.470 -14.169 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.798 -14.952 -2.665 1.00 0.00 H new