USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 MET CE :methyl -166:sc= 0 (180deg=-0.204) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.055) USER MOD Single : A 17 ASN :FLIP amide:sc= -4.5! C(o=-7.4!,f=-4.5!) USER MOD Single : A 18 THR OG1 : rot 86:sc= -0.498 USER MOD Single : A 20 TYR OH : rot 180:sc= -1.59 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= 0.0827 USER MOD Single : A 40 HIS : no HD1:sc= -4.73! C(o=-4.7!,f=-4.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.18! C(o=-1.2!,f=-1.8!) USER MOD Single : A 60 CYS SG : rot -28:sc= 0.0112 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 -89:sc= 0.181 USER MOD Single : A 74 ASN : amide:sc= -0.0835 K(o=-0.083,f=-1) 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 5.841 9.530 -13.806 1.00 0.00 N ATOM 60 CA GLY A 7 6.896 8.537 -13.700 1.00 0.00 C ATOM 61 C GLY A 7 6.792 7.766 -12.382 1.00 0.00 C ATOM 62 O GLY A 7 7.544 6.820 -12.151 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.832 7.843 -14.538 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.868 9.026 -13.764 1.00 0.00 H new ATOM 66 N LEU A 8 5.854 8.198 -11.553 1.00 0.00 N ATOM 67 CA LEU A 8 5.642 7.561 -10.265 1.00 0.00 C ATOM 68 C LEU A 8 5.352 6.074 -10.478 1.00 0.00 C ATOM 69 O LEU A 8 5.918 5.222 -9.795 1.00 0.00 O ATOM 70 CB LEU A 8 4.554 8.293 -9.477 1.00 0.00 C ATOM 71 CG LEU A 8 4.710 9.811 -9.369 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.486 10.442 -8.702 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.009 10.179 -8.649 1.00 0.00 C ATOM 0 H LEU A 8 5.232 8.982 -11.748 1.00 0.00 H new ATOM 0 HA LEU A 8 6.543 7.627 -9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.591 8.079 -9.941 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.522 7.878 -8.469 1.00 0.00 H new ATOM 0 HG LEU A 8 4.774 10.220 -10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.623 11.521 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.597 10.223 -9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.366 10.031 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.095 11.264 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.000 9.756 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.858 9.779 -9.203 1.00 0.00 H new ATOM 85 N ARG A 9 4.469 5.806 -11.429 1.00 0.00 N ATOM 86 CA ARG A 9 4.096 4.437 -11.741 1.00 0.00 C ATOM 87 C ARG A 9 5.321 3.524 -11.666 1.00 0.00 C ATOM 88 O ARG A 9 5.334 2.557 -10.906 1.00 0.00 O ATOM 89 CB ARG A 9 3.480 4.339 -13.138 1.00 0.00 C ATOM 90 CG ARG A 9 2.140 5.075 -13.200 1.00 0.00 C ATOM 91 CD ARG A 9 1.173 4.373 -14.156 1.00 0.00 C ATOM 92 NE ARG A 9 1.575 4.626 -15.558 1.00 0.00 N ATOM 93 CZ ARG A 9 1.426 5.803 -16.181 1.00 0.00 C ATOM 94 NH1 ARG A 9 0.884 6.842 -15.531 1.00 0.00 N ATOM 95 NH2 ARG A 9 1.819 5.941 -17.455 1.00 0.00 N ATOM 0 H ARG A 9 4.001 6.515 -11.994 1.00 0.00 H new ATOM 0 HA ARG A 9 3.356 4.119 -11.007 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.166 4.762 -13.872 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.336 3.292 -13.403 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.701 5.123 -12.203 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.300 6.102 -13.528 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.167 3.301 -13.958 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.158 4.733 -13.989 1.00 0.00 H new ATOM 0 HE ARG A 9 1.991 3.857 -16.082 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.585 6.737 -14.562 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.771 7.738 -16.006 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.231 5.150 -17.950 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.706 6.837 -17.929 1.00 0.00 H new ATOM 109 N LYS A 10 6.322 3.862 -12.466 1.00 0.00 N ATOM 110 CA LYS A 10 7.549 3.085 -12.499 1.00 0.00 C ATOM 111 C LYS A 10 8.117 2.973 -11.083 1.00 0.00 C ATOM 112 O LYS A 10 8.572 1.906 -10.675 1.00 0.00 O ATOM 113 CB LYS A 10 8.532 3.678 -13.511 1.00 0.00 C ATOM 114 CG LYS A 10 7.997 3.547 -14.938 1.00 0.00 C ATOM 115 CD LYS A 10 8.033 2.091 -15.406 1.00 0.00 C ATOM 116 CE LYS A 10 8.288 2.005 -16.912 1.00 0.00 C ATOM 117 NZ LYS A 10 7.329 1.074 -17.548 1.00 0.00 N ATOM 0 H LYS A 10 6.308 4.664 -13.096 1.00 0.00 H new ATOM 0 HA LYS A 10 7.347 2.070 -12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.708 4.729 -13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.493 3.169 -13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.974 3.922 -14.983 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.592 4.164 -15.611 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.814 1.552 -14.870 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.088 1.604 -15.165 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.195 2.994 -17.360 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.308 1.667 -17.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.516 1.027 -18.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.437 0.127 -17.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.359 1.413 -17.389 1.00 0.00 H new ATOM 131 N GLN A 11 8.070 4.091 -10.372 1.00 0.00 N ATOM 132 CA GLN A 11 8.574 4.132 -9.009 1.00 0.00 C ATOM 133 C GLN A 11 7.746 3.213 -8.109 1.00 0.00 C ATOM 134 O GLN A 11 8.279 2.280 -7.511 1.00 0.00 O ATOM 135 CB GLN A 11 8.582 5.564 -8.471 1.00 0.00 C ATOM 136 CG GLN A 11 9.166 6.534 -9.501 1.00 0.00 C ATOM 137 CD GLN A 11 9.920 7.674 -8.815 1.00 0.00 C ATOM 138 OE1 GLN A 11 10.876 7.470 -8.084 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.438 8.883 -9.089 1.00 0.00 N ATOM 0 H GLN A 11 7.691 4.974 -10.714 1.00 0.00 H new ATOM 0 HA GLN A 11 9.603 3.774 -9.012 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.566 5.866 -8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.167 5.608 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.840 5.998 -10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.364 6.942 -10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.635 8.983 -9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.872 9.710 -8.679 1.00 0.00 H new ATOM 148 N VAL A 12 6.456 3.509 -8.042 1.00 0.00 N ATOM 149 CA VAL A 12 5.549 2.720 -7.225 1.00 0.00 C ATOM 150 C VAL A 12 5.839 1.233 -7.438 1.00 0.00 C ATOM 151 O VAL A 12 6.140 0.513 -6.488 1.00 0.00 O ATOM 152 CB VAL A 12 4.100 3.098 -7.538 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.123 2.238 -6.733 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.855 4.587 -7.286 1.00 0.00 C ATOM 0 H VAL A 12 6.017 4.284 -8.540 1.00 0.00 H new ATOM 0 HA VAL A 12 5.705 2.933 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 12 3.924 2.904 -8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.100 2.527 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.272 1.188 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.300 2.386 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.817 4.829 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.058 4.817 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.515 5.177 -7.922 1.00 0.00 H new ATOM 164 N GLU A 13 5.738 0.818 -8.693 1.00 0.00 N ATOM 165 CA GLU A 13 5.985 -0.570 -9.043 1.00 0.00 C ATOM 166 C GLU A 13 7.195 -1.105 -8.274 1.00 0.00 C ATOM 167 O GLU A 13 7.101 -2.127 -7.596 1.00 0.00 O ATOM 168 CB GLU A 13 6.183 -0.728 -10.552 1.00 0.00 C ATOM 169 CG GLU A 13 4.926 -0.307 -11.317 1.00 0.00 C ATOM 170 CD GLU A 13 4.445 -1.427 -12.241 1.00 0.00 C ATOM 171 OE1 GLU A 13 4.062 -2.486 -11.698 1.00 0.00 O ATOM 172 OE2 GLU A 13 4.473 -1.200 -13.470 1.00 0.00 O ATOM 0 H GLU A 13 5.489 1.419 -9.479 1.00 0.00 H new ATOM 0 HA GLU A 13 5.111 -1.156 -8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.030 -0.124 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.424 -1.765 -10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.136 -0.049 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.135 0.588 -11.903 1.00 0.00 H new ATOM 179 N LEU A 14 8.302 -0.390 -8.404 1.00 0.00 N ATOM 180 CA LEU A 14 9.529 -0.779 -7.729 1.00 0.00 C ATOM 181 C LEU A 14 9.264 -0.894 -6.226 1.00 0.00 C ATOM 182 O LEU A 14 9.678 -1.864 -5.592 1.00 0.00 O ATOM 183 CB LEU A 14 10.664 0.184 -8.081 1.00 0.00 C ATOM 184 CG LEU A 14 12.045 -0.176 -7.529 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.479 -1.564 -8.002 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.074 0.899 -7.885 1.00 0.00 C ATOM 0 H LEU A 14 8.376 0.457 -8.967 1.00 0.00 H new ATOM 0 HA LEU A 14 9.858 -1.760 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.734 0.250 -9.167 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.397 1.177 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 14 11.980 -0.212 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.464 -1.795 -7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.760 -2.307 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.523 -1.580 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.047 0.619 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.144 0.991 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.765 1.854 -7.459 1.00 0.00 H new ATOM 198 N LEU A 15 8.577 0.109 -5.700 1.00 0.00 N ATOM 199 CA LEU A 15 8.252 0.132 -4.284 1.00 0.00 C ATOM 200 C LEU A 15 7.480 -1.138 -3.921 1.00 0.00 C ATOM 201 O LEU A 15 7.997 -2.003 -3.215 1.00 0.00 O ATOM 202 CB LEU A 15 7.515 1.424 -3.925 1.00 0.00 C ATOM 203 CG LEU A 15 6.889 1.473 -2.529 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.950 1.267 -1.445 1.00 0.00 C ATOM 205 CD2 LEU A 15 6.106 2.771 -2.325 1.00 0.00 C ATOM 0 H LEU A 15 8.236 0.912 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 15 9.162 0.134 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.214 2.255 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.727 1.586 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 15 6.178 0.651 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.479 1.306 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.425 0.296 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.702 2.052 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.671 2.781 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.777 3.622 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.310 2.836 -3.067 1.00 0.00 H new ATOM 217 N PHE A 16 6.255 -1.211 -4.420 1.00 0.00 N ATOM 218 CA PHE A 16 5.407 -2.361 -4.157 1.00 0.00 C ATOM 219 C PHE A 16 6.189 -3.666 -4.315 1.00 0.00 C ATOM 220 O PHE A 16 6.121 -4.542 -3.454 1.00 0.00 O ATOM 221 CB PHE A 16 4.277 -2.328 -5.189 1.00 0.00 C ATOM 222 CG PHE A 16 3.193 -1.290 -4.893 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.376 -0.382 -3.897 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.047 -1.276 -5.625 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.370 0.582 -3.622 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.041 -0.312 -5.350 1.00 0.00 C ATOM 227 CZ PHE A 16 1.224 0.596 -4.354 1.00 0.00 C ATOM 0 H PHE A 16 5.829 -0.492 -5.005 1.00 0.00 H new ATOM 0 HA PHE A 16 5.027 -2.318 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.702 -2.124 -6.172 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.816 -3.315 -5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.286 -0.394 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.902 -1.998 -6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.515 1.304 -2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.131 -0.300 -5.932 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.459 1.329 -4.144 1.00 0.00 H new ATOM 237 N ASN A 17 6.913 -3.755 -5.421 1.00 0.00 N ATOM 238 CA ASN A 17 7.707 -4.939 -5.703 1.00 0.00 C ATOM 239 C ASN A 17 8.777 -5.099 -4.621 1.00 0.00 C ATOM 240 O ASN A 17 8.752 -6.060 -3.855 1.00 0.00 O ATOM 241 CB ASN A 17 8.414 -4.819 -7.054 1.00 0.00 C ATOM 242 CG ASN A 17 7.424 -4.996 -8.208 1.00 0.00 C ATOM 243 OD1 ASN A 17 7.782 -5.924 -9.090 1.00 0.00 O flip ATOM 244 ND2 ASN A 17 6.404 -4.332 -8.292 1.00 0.00 N flip ATOM 0 H ASN A 17 6.966 -3.026 -6.133 1.00 0.00 H new ATOM 0 HA ASN A 17 7.037 -5.798 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.897 -3.845 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.200 -5.571 -7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.189 -3.635 -7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.766 -4.474 -9.075 1.00 0.00 H new ATOM 251 N THR A 18 9.693 -4.142 -4.594 1.00 0.00 N ATOM 252 CA THR A 18 10.771 -4.164 -3.620 1.00 0.00 C ATOM 253 C THR A 18 10.251 -4.638 -2.261 1.00 0.00 C ATOM 254 O THR A 18 10.921 -5.402 -1.568 1.00 0.00 O ATOM 255 CB THR A 18 11.399 -2.770 -3.577 1.00 0.00 C ATOM 256 OG1 THR A 18 12.102 -2.668 -4.812 1.00 0.00 O ATOM 257 CG2 THR A 18 12.493 -2.653 -2.515 1.00 0.00 C ATOM 0 H THR A 18 9.711 -3.346 -5.231 1.00 0.00 H new ATOM 0 HA THR A 18 11.546 -4.876 -3.904 1.00 0.00 H new ATOM 0 HB THR A 18 10.624 -2.029 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.492 -2.352 -5.511 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.905 -1.644 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.070 -2.860 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.285 -3.371 -2.728 1.00 0.00 H new ATOM 265 N ARG A 19 9.061 -4.165 -1.921 1.00 0.00 N ATOM 266 CA ARG A 19 8.444 -4.531 -0.657 1.00 0.00 C ATOM 267 C ARG A 19 8.108 -6.024 -0.643 1.00 0.00 C ATOM 268 O ARG A 19 8.451 -6.732 0.303 1.00 0.00 O ATOM 269 CB ARG A 19 7.165 -3.726 -0.415 1.00 0.00 C ATOM 270 CG ARG A 19 7.480 -2.240 -0.233 1.00 0.00 C ATOM 271 CD ARG A 19 8.130 -1.980 1.128 1.00 0.00 C ATOM 272 NE ARG A 19 8.792 -0.657 1.128 1.00 0.00 N ATOM 273 CZ ARG A 19 10.041 -0.442 0.692 1.00 0.00 C ATOM 274 NH1 ARG A 19 10.770 -1.461 0.217 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.560 0.793 0.730 1.00 0.00 N ATOM 0 H ARG A 19 8.508 -3.532 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 19 9.157 -4.308 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.484 -3.857 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.655 -4.105 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.146 -1.906 -1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.563 -1.657 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.376 -2.018 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.859 -2.760 1.347 1.00 0.00 H new ATOM 0 HE ARG A 19 8.265 0.141 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.374 -2.401 0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.720 -1.297 -0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.005 1.569 1.091 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.510 0.957 0.398 1.00 0.00 H new ATOM 289 N TYR A 20 7.443 -6.458 -1.703 1.00 0.00 N ATOM 290 CA TYR A 20 7.057 -7.854 -1.824 1.00 0.00 C ATOM 291 C TYR A 20 8.248 -8.777 -1.556 1.00 0.00 C ATOM 292 O TYR A 20 8.132 -9.744 -0.804 1.00 0.00 O ATOM 293 CB TYR A 20 6.598 -8.041 -3.271 1.00 0.00 C ATOM 294 CG TYR A 20 5.864 -9.359 -3.527 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.680 -9.628 -2.871 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.387 -10.279 -4.413 1.00 0.00 C ATOM 297 CE1 TYR A 20 3.990 -10.869 -3.111 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.697 -11.520 -4.653 1.00 0.00 C ATOM 299 CZ TYR A 20 4.532 -11.754 -3.990 1.00 0.00 C ATOM 300 OH TYR A 20 3.881 -12.926 -4.217 1.00 0.00 O ATOM 0 H TYR A 20 7.161 -5.868 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 20 6.277 -8.100 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.943 -7.214 -3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.467 -7.988 -3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.271 -8.908 -2.178 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.314 -10.068 -4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.063 -11.092 -2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.095 -12.249 -5.344 1.00 0.00 H new ATOM 0 HH TYR A 20 4.384 -13.459 -4.868 1.00 0.00 H new ATOM 310 N ALA A 21 9.365 -8.446 -2.187 1.00 0.00 N ATOM 311 CA ALA A 21 10.576 -9.233 -2.026 1.00 0.00 C ATOM 312 C ALA A 21 10.813 -9.499 -0.538 1.00 0.00 C ATOM 313 O ALA A 21 11.040 -10.639 -0.136 1.00 0.00 O ATOM 314 CB ALA A 21 11.750 -8.504 -2.682 1.00 0.00 C ATOM 0 H ALA A 21 9.457 -7.644 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 21 10.474 -10.199 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.658 -9.094 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.545 -8.366 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.884 -7.531 -2.209 1.00 0.00 H new ATOM 320 N LYS A 22 10.751 -8.428 0.239 1.00 0.00 N ATOM 321 CA LYS A 22 10.956 -8.531 1.674 1.00 0.00 C ATOM 322 C LYS A 22 9.919 -9.488 2.265 1.00 0.00 C ATOM 323 O LYS A 22 10.173 -10.133 3.281 1.00 0.00 O ATOM 324 CB LYS A 22 10.949 -7.143 2.317 1.00 0.00 C ATOM 325 CG LYS A 22 11.475 -7.201 3.753 1.00 0.00 C ATOM 326 CD LYS A 22 11.593 -5.798 4.351 1.00 0.00 C ATOM 327 CE LYS A 22 12.107 -5.857 5.791 1.00 0.00 C ATOM 328 NZ LYS A 22 13.540 -5.492 5.845 1.00 0.00 N ATOM 0 H LYS A 22 10.562 -7.484 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 22 11.938 -8.952 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.564 -6.462 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.936 -6.742 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.806 -7.806 4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.449 -7.690 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.269 -5.196 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.621 -5.306 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.529 -5.178 6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.966 -6.860 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.873 -5.537 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.090 -6.156 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.666 -4.526 5.481 1.00 0.00 H new ATOM 342 N ALA A 23 8.773 -9.551 1.603 1.00 0.00 N ATOM 343 CA ALA A 23 7.697 -10.419 2.050 1.00 0.00 C ATOM 344 C ALA A 23 8.043 -11.869 1.709 1.00 0.00 C ATOM 345 O ALA A 23 7.480 -12.798 2.288 1.00 0.00 O ATOM 346 CB ALA A 23 6.380 -9.968 1.415 1.00 0.00 C ATOM 0 H ALA A 23 8.566 -9.015 0.760 1.00 0.00 H new ATOM 0 HA ALA A 23 7.576 -10.355 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.573 -10.619 1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.165 -8.941 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.462 -10.022 0.329 1.00 0.00 H new ATOM 352 N ILE A 24 8.966 -12.020 0.771 1.00 0.00 N ATOM 353 CA ILE A 24 9.394 -13.342 0.346 1.00 0.00 C ATOM 354 C ILE A 24 10.862 -13.545 0.725 1.00 0.00 C ATOM 355 O ILE A 24 11.481 -14.527 0.319 1.00 0.00 O ATOM 356 CB ILE A 24 9.108 -13.544 -1.143 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.653 -12.377 -1.969 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.616 -13.774 -1.389 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.635 -12.707 -3.463 1.00 0.00 C ATOM 0 H ILE A 24 9.430 -11.248 0.293 1.00 0.00 H new ATOM 0 HA ILE A 24 8.823 -14.113 0.864 1.00 0.00 H new ATOM 0 HB ILE A 24 9.630 -14.443 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.055 -11.485 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.672 -12.149 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.441 -13.915 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.291 -14.662 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.052 -12.909 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.027 -11.861 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.253 -13.585 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.612 -12.910 -3.778 1.00 0.00 H new ATOM 371 N GLY A 25 11.377 -12.600 1.497 1.00 0.00 N ATOM 372 CA GLY A 25 12.761 -12.662 1.935 1.00 0.00 C ATOM 373 C GLY A 25 13.718 -12.503 0.751 1.00 0.00 C ATOM 374 O GLY A 25 14.802 -13.084 0.743 1.00 0.00 O ATOM 0 H GLY A 25 10.860 -11.786 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.950 -11.878 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.947 -13.614 2.432 1.00 0.00 H new ATOM 378 N ILE A 26 13.282 -11.713 -0.219 1.00 0.00 N ATOM 379 CA ILE A 26 14.086 -11.471 -1.405 1.00 0.00 C ATOM 380 C ILE A 26 14.736 -10.090 -1.301 1.00 0.00 C ATOM 381 O ILE A 26 14.145 -9.161 -0.752 1.00 0.00 O ATOM 382 CB ILE A 26 13.246 -11.661 -2.669 1.00 0.00 C ATOM 383 CG1 ILE A 26 12.926 -13.140 -2.897 1.00 0.00 C ATOM 384 CG2 ILE A 26 13.932 -11.030 -3.883 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.725 -13.435 -4.385 1.00 0.00 C ATOM 0 H ILE A 26 12.382 -11.232 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 26 14.893 -12.200 -1.474 1.00 0.00 H new ATOM 0 HB ILE A 26 12.297 -11.143 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.737 -13.755 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.026 -13.410 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.314 -11.179 -4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.067 -9.962 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.904 -11.499 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.499 -14.493 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.898 -12.836 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.635 -13.186 -4.931 1.00 0.00 H new ATOM 397 N SER A 27 15.944 -9.998 -1.837 1.00 0.00 N ATOM 398 CA SER A 27 16.681 -8.746 -1.811 1.00 0.00 C ATOM 399 C SER A 27 16.276 -7.876 -3.002 1.00 0.00 C ATOM 400 O SER A 27 16.172 -6.656 -2.877 1.00 0.00 O ATOM 401 CB SER A 27 18.191 -8.995 -1.826 1.00 0.00 C ATOM 402 OG SER A 27 18.756 -8.928 -0.519 1.00 0.00 O ATOM 0 H SER A 27 16.431 -10.770 -2.292 1.00 0.00 H new ATOM 0 HA SER A 27 16.435 -8.224 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.393 -9.975 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.674 -8.258 -2.468 1.00 0.00 H new ATOM 0 HG SER A 27 19.720 -9.094 -0.571 1.00 0.00 H new ATOM 408 N GLU A 28 16.057 -8.536 -4.130 1.00 0.00 N ATOM 409 CA GLU A 28 15.665 -7.837 -5.342 1.00 0.00 C ATOM 410 C GLU A 28 14.148 -7.642 -5.375 1.00 0.00 C ATOM 411 O GLU A 28 13.414 -8.326 -4.662 1.00 0.00 O ATOM 412 CB GLU A 28 16.148 -8.585 -6.586 1.00 0.00 C ATOM 413 CG GLU A 28 15.219 -9.753 -6.920 1.00 0.00 C ATOM 414 CD GLU A 28 16.019 -11.026 -7.205 1.00 0.00 C ATOM 415 OE1 GLU A 28 16.650 -11.526 -6.249 1.00 0.00 O ATOM 416 OE2 GLU A 28 15.981 -11.470 -8.373 1.00 0.00 O ATOM 0 H GLU A 28 16.144 -9.547 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 28 16.138 -6.855 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.194 -7.899 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.160 -8.956 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.535 -9.927 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.609 -9.501 -7.787 1.00 0.00 H new ATOM 423 N PRO A 29 13.710 -6.681 -6.231 1.00 0.00 N ATOM 424 CA PRO A 29 12.294 -6.387 -6.366 1.00 0.00 C ATOM 425 C PRO A 29 11.582 -7.476 -7.171 1.00 0.00 C ATOM 426 O PRO A 29 12.104 -7.949 -8.179 1.00 0.00 O ATOM 427 CB PRO A 29 12.237 -5.022 -7.034 1.00 0.00 C ATOM 428 CG PRO A 29 13.603 -4.811 -7.666 1.00 0.00 C ATOM 429 CD PRO A 29 14.549 -5.851 -7.090 1.00 0.00 C ATOM 0 HA PRO A 29 11.775 -6.369 -5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.449 -4.988 -7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.018 -4.240 -6.307 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.541 -4.910 -8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.969 -3.806 -7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.015 -6.442 -7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.354 -5.383 -6.524 1.00 0.00 H new ATOM 437 N VAL A 30 10.401 -7.842 -6.695 1.00 0.00 N ATOM 438 CA VAL A 30 9.612 -8.867 -7.358 1.00 0.00 C ATOM 439 C VAL A 30 8.202 -8.333 -7.615 1.00 0.00 C ATOM 440 O VAL A 30 7.798 -7.329 -7.029 1.00 0.00 O ATOM 441 CB VAL A 30 9.623 -10.153 -6.530 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.641 -11.180 -7.098 1.00 0.00 C ATOM 443 CG2 VAL A 30 11.035 -10.736 -6.440 1.00 0.00 C ATOM 0 H VAL A 30 9.971 -7.447 -5.858 1.00 0.00 H new ATOM 0 HA VAL A 30 10.046 -9.116 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 30 9.299 -9.903 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.669 -12.085 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.633 -10.765 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.921 -11.423 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.014 -11.650 -5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.400 -10.963 -7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.698 -10.011 -5.968 1.00 0.00 H new ATOM 453 N LYS A 31 7.491 -9.027 -8.491 1.00 0.00 N ATOM 454 CA LYS A 31 6.134 -8.635 -8.832 1.00 0.00 C ATOM 455 C LYS A 31 5.261 -8.687 -7.576 1.00 0.00 C ATOM 456 O LYS A 31 5.758 -8.950 -6.482 1.00 0.00 O ATOM 457 CB LYS A 31 5.603 -9.489 -9.985 1.00 0.00 C ATOM 458 CG LYS A 31 6.285 -9.115 -11.303 1.00 0.00 C ATOM 459 CD LYS A 31 5.778 -7.767 -11.819 1.00 0.00 C ATOM 460 CE LYS A 31 4.292 -7.839 -12.175 1.00 0.00 C ATOM 461 NZ LYS A 31 4.055 -7.279 -13.525 1.00 0.00 N ATOM 0 H LYS A 31 7.829 -9.859 -8.975 1.00 0.00 H new ATOM 0 HA LYS A 31 6.114 -7.606 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.773 -10.544 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.526 -9.353 -10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.364 -9.070 -11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.095 -9.888 -12.047 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.937 -7.000 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.352 -7.471 -12.697 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.953 -8.874 -12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.708 -7.287 -11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.041 -7.335 -13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.360 -6.285 -13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.597 -7.823 -14.226 1.00 0.00 H new ATOM 475 N VAL A 32 3.976 -8.434 -7.776 1.00 0.00 N ATOM 476 CA VAL A 32 3.030 -8.448 -6.674 1.00 0.00 C ATOM 477 C VAL A 32 1.703 -9.037 -7.154 1.00 0.00 C ATOM 478 O VAL A 32 1.052 -8.475 -8.034 1.00 0.00 O ATOM 479 CB VAL A 32 2.884 -7.041 -6.091 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.616 -6.929 -5.241 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.123 -6.651 -5.282 1.00 0.00 C ATOM 0 H VAL A 32 3.568 -8.218 -8.686 1.00 0.00 H new ATOM 0 HA VAL A 32 3.394 -9.083 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 32 2.793 -6.342 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.536 -5.919 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.744 -7.144 -5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.664 -7.644 -4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.993 -5.647 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.259 -7.356 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.001 -6.672 -5.928 1.00 0.00 H new ATOM 491 N PRO A 33 1.330 -10.192 -6.540 1.00 0.00 N ATOM 492 CA PRO A 33 0.092 -10.864 -6.896 1.00 0.00 C ATOM 493 C PRO A 33 -1.118 -10.126 -6.318 1.00 0.00 C ATOM 494 O PRO A 33 -1.804 -10.645 -5.439 1.00 0.00 O ATOM 495 CB PRO A 33 0.240 -12.276 -6.355 1.00 0.00 C ATOM 496 CG PRO A 33 1.349 -12.210 -5.317 1.00 0.00 C ATOM 497 CD PRO A 33 2.075 -10.887 -5.495 1.00 0.00 C ATOM 0 HA PRO A 33 -0.083 -10.881 -7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.692 -12.623 -5.909 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.492 -12.975 -7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.936 -12.286 -4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.039 -13.044 -5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.085 -10.313 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.114 -11.042 -5.786 1.00 0.00 H new ATOM 505 N TYR A 34 -1.342 -8.927 -6.836 1.00 0.00 N ATOM 506 CA TYR A 34 -2.457 -8.113 -6.383 1.00 0.00 C ATOM 507 C TYR A 34 -3.680 -8.979 -6.077 1.00 0.00 C ATOM 508 O TYR A 34 -4.183 -8.976 -4.954 1.00 0.00 O ATOM 509 CB TYR A 34 -2.790 -7.171 -7.542 1.00 0.00 C ATOM 510 CG TYR A 34 -1.671 -6.186 -7.885 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.918 -5.619 -6.877 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.415 -5.864 -9.202 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.135 -4.692 -7.200 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.362 -4.937 -9.525 1.00 0.00 C ATOM 515 CZ TYR A 34 0.361 -4.396 -8.508 1.00 0.00 C ATOM 516 OH TYR A 34 1.356 -3.520 -8.813 1.00 0.00 O ATOM 0 H TYR A 34 -0.770 -8.500 -7.565 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.195 -7.577 -5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.020 -7.766 -8.426 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.691 -6.610 -7.293 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.119 -5.871 -5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.005 -6.307 -9.991 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.732 -4.242 -6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.151 -4.677 -10.552 1.00 0.00 H new ATOM 0 HH TYR A 34 1.404 -3.405 -9.785 1.00 0.00 H new ATOM 526 N SER A 35 -4.124 -9.701 -7.096 1.00 0.00 N ATOM 527 CA SER A 35 -5.279 -10.570 -6.950 1.00 0.00 C ATOM 528 C SER A 35 -5.222 -11.294 -5.604 1.00 0.00 C ATOM 529 O SER A 35 -6.160 -11.215 -4.812 1.00 0.00 O ATOM 530 CB SER A 35 -5.354 -11.583 -8.095 1.00 0.00 C ATOM 531 OG SER A 35 -4.734 -11.094 -9.281 1.00 0.00 O ATOM 0 H SER A 35 -3.704 -9.702 -8.026 1.00 0.00 H new ATOM 0 HA SER A 35 -6.178 -9.954 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.871 -12.512 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.398 -11.819 -8.302 1.00 0.00 H new ATOM 0 HG SER A 35 -4.801 -11.770 -9.988 1.00 0.00 H new ATOM 537 N LYS A 36 -4.113 -11.985 -5.386 1.00 0.00 N ATOM 538 CA LYS A 36 -3.922 -12.723 -4.149 1.00 0.00 C ATOM 539 C LYS A 36 -4.256 -11.817 -2.962 1.00 0.00 C ATOM 540 O LYS A 36 -4.898 -12.250 -2.007 1.00 0.00 O ATOM 541 CB LYS A 36 -2.513 -13.316 -4.091 1.00 0.00 C ATOM 542 CG LYS A 36 -2.275 -14.279 -5.257 1.00 0.00 C ATOM 543 CD LYS A 36 -3.146 -15.529 -5.122 1.00 0.00 C ATOM 544 CE LYS A 36 -3.857 -15.847 -6.439 1.00 0.00 C ATOM 545 NZ LYS A 36 -4.881 -16.896 -6.235 1.00 0.00 N ATOM 0 H LYS A 36 -3.337 -12.049 -6.045 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.603 -13.573 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.775 -12.514 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.374 -13.842 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.496 -13.777 -6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.224 -14.565 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.528 -16.376 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.883 -15.379 -4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.325 -14.945 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.130 -16.179 -7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.354 -17.100 -7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.426 -17.761 -5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.584 -16.565 -5.543 1.00 0.00 H new ATOM 559 N PHE A 37 -3.805 -10.575 -3.062 1.00 0.00 N ATOM 560 CA PHE A 37 -4.049 -9.604 -2.009 1.00 0.00 C ATOM 561 C PHE A 37 -5.469 -9.041 -2.099 1.00 0.00 C ATOM 562 O PHE A 37 -6.006 -8.541 -1.112 1.00 0.00 O ATOM 563 CB PHE A 37 -3.048 -8.464 -2.211 1.00 0.00 C ATOM 564 CG PHE A 37 -1.640 -8.774 -1.698 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.828 -9.608 -2.402 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.201 -8.216 -0.538 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.479 -9.896 -1.925 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.106 -8.503 -0.062 1.00 0.00 C ATOM 569 CZ PHE A 37 0.918 -9.337 -0.766 1.00 0.00 C ATOM 0 H PHE A 37 -3.272 -10.219 -3.856 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.936 -10.078 -1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.992 -8.227 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.420 -7.573 -1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.177 -10.051 -3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.846 -7.555 0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.124 -10.559 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.455 -8.059 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.912 -9.555 -0.404 1.00 0.00 H new ATOM 579 N LEU A 38 -6.036 -9.142 -3.292 1.00 0.00 N ATOM 580 CA LEU A 38 -7.383 -8.649 -3.525 1.00 0.00 C ATOM 581 C LEU A 38 -8.393 -9.669 -2.994 1.00 0.00 C ATOM 582 O LEU A 38 -9.231 -9.339 -2.157 1.00 0.00 O ATOM 583 CB LEU A 38 -7.579 -8.301 -5.001 1.00 0.00 C ATOM 584 CG LEU A 38 -6.712 -7.163 -5.543 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.982 -6.928 -7.031 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.901 -5.889 -4.718 1.00 0.00 C ATOM 0 H LEU A 38 -5.587 -9.558 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.549 -7.721 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.383 -9.195 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.626 -8.039 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.666 -7.456 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.353 -6.114 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.755 -7.836 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.030 -6.666 -7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.273 -5.096 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.946 -5.581 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.618 -6.081 -3.683 1.00 0.00 H new ATOM 598 N MET A 39 -8.279 -10.887 -3.502 1.00 0.00 N ATOM 599 CA MET A 39 -9.171 -11.957 -3.090 1.00 0.00 C ATOM 600 C MET A 39 -8.901 -12.368 -1.641 1.00 0.00 C ATOM 601 O MET A 39 -9.770 -12.936 -0.981 1.00 0.00 O ATOM 602 CB MET A 39 -8.978 -13.165 -4.008 1.00 0.00 C ATOM 603 CG MET A 39 -9.205 -12.783 -5.472 1.00 0.00 C ATOM 604 SD MET A 39 -9.268 -14.252 -6.484 1.00 0.00 S ATOM 605 CE MET A 39 -7.542 -14.709 -6.474 1.00 0.00 C ATOM 0 H MET A 39 -7.582 -11.157 -4.196 1.00 0.00 H new ATOM 0 HA MET A 39 -10.197 -11.597 -3.161 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.971 -13.563 -3.884 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.671 -13.957 -3.723 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.135 -12.224 -5.570 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.403 -12.130 -5.815 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.358 -15.452 -7.250 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.931 -13.827 -6.664 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.282 -15.128 -5.502 1.00 0.00 H new ATOM 615 N HIS A 40 -7.693 -12.066 -1.189 1.00 0.00 N ATOM 616 CA HIS A 40 -7.298 -12.397 0.169 1.00 0.00 C ATOM 617 C HIS A 40 -6.685 -11.166 0.840 1.00 0.00 C ATOM 618 O HIS A 40 -5.486 -11.134 1.111 1.00 0.00 O ATOM 619 CB HIS A 40 -6.361 -13.607 0.183 1.00 0.00 C ATOM 620 CG HIS A 40 -6.804 -14.736 -0.716 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.696 -15.713 -0.308 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.470 -15.034 -2.004 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.882 -16.555 -1.314 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.121 -16.133 -2.364 1.00 0.00 N ATOM 0 H HIS A 40 -6.975 -11.595 -1.739 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.177 -12.684 0.747 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.364 -13.285 -0.119 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.280 -13.979 1.204 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.790 -14.471 -2.626 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.524 -17.423 -1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.062 -16.587 -3.275 1.00 0.00 H new ATOM 632 N PRO A 41 -7.560 -10.156 1.096 1.00 0.00 N ATOM 633 CA PRO A 41 -7.118 -8.926 1.730 1.00 0.00 C ATOM 634 C PRO A 41 -6.871 -9.137 3.225 1.00 0.00 C ATOM 635 O PRO A 41 -6.292 -8.280 3.890 1.00 0.00 O ATOM 636 CB PRO A 41 -8.221 -7.919 1.446 1.00 0.00 C ATOM 637 CG PRO A 41 -9.445 -8.737 1.069 1.00 0.00 C ATOM 638 CD PRO A 41 -8.987 -10.159 0.789 1.00 0.00 C ATOM 0 HA PRO A 41 -6.163 -8.572 1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.419 -7.300 2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.937 -7.246 0.637 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.177 -8.724 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.932 -8.313 0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.524 -10.877 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.168 -10.436 -0.250 1.00 0.00 H new ATOM 646 N GLU A 42 -7.324 -10.284 3.710 1.00 0.00 N ATOM 647 CA GLU A 42 -7.160 -10.619 5.115 1.00 0.00 C ATOM 648 C GLU A 42 -5.821 -11.323 5.339 1.00 0.00 C ATOM 649 O GLU A 42 -5.085 -10.984 6.265 1.00 0.00 O ATOM 650 CB GLU A 42 -8.323 -11.480 5.612 1.00 0.00 C ATOM 651 CG GLU A 42 -9.393 -10.619 6.287 1.00 0.00 C ATOM 652 CD GLU A 42 -9.483 -10.929 7.783 1.00 0.00 C ATOM 653 OE1 GLU A 42 -10.196 -11.899 8.119 1.00 0.00 O ATOM 654 OE2 GLU A 42 -8.838 -10.189 8.555 1.00 0.00 O ATOM 0 H GLU A 42 -7.804 -10.993 3.156 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.163 -9.695 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.762 -12.022 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.953 -12.225 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.159 -9.564 6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.360 -10.798 5.816 1.00 0.00 H new ATOM 661 N GLU A 43 -5.546 -12.291 4.477 1.00 0.00 N ATOM 662 CA GLU A 43 -4.308 -13.046 4.570 1.00 0.00 C ATOM 663 C GLU A 43 -3.145 -12.232 3.998 1.00 0.00 C ATOM 664 O GLU A 43 -2.116 -12.068 4.652 1.00 0.00 O ATOM 665 CB GLU A 43 -4.434 -14.395 3.859 1.00 0.00 C ATOM 666 CG GLU A 43 -5.419 -15.310 4.590 1.00 0.00 C ATOM 667 CD GLU A 43 -6.406 -15.946 3.610 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.067 -15.170 2.886 1.00 0.00 O ATOM 669 OE2 GLU A 43 -6.478 -17.194 3.607 1.00 0.00 O ATOM 0 H GLU A 43 -6.159 -12.570 3.711 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.105 -13.244 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.769 -14.240 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.457 -14.875 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.872 -16.091 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.964 -14.738 5.341 1.00 0.00 H new ATOM 676 N LEU A 44 -3.348 -11.743 2.784 1.00 0.00 N ATOM 677 CA LEU A 44 -2.329 -10.950 2.117 1.00 0.00 C ATOM 678 C LEU A 44 -2.810 -9.501 2.004 1.00 0.00 C ATOM 679 O LEU A 44 -3.801 -9.223 1.332 1.00 0.00 O ATOM 680 CB LEU A 44 -1.954 -11.579 0.774 1.00 0.00 C ATOM 681 CG LEU A 44 -2.091 -13.100 0.684 1.00 0.00 C ATOM 682 CD1 LEU A 44 -2.003 -13.575 -0.768 1.00 0.00 C ATOM 683 CD2 LEU A 44 -1.063 -13.797 1.578 1.00 0.00 C ATOM 0 H LEU A 44 -4.203 -11.880 2.245 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.411 -10.938 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.577 -11.132 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.922 -11.313 0.546 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.079 -13.376 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.103 -14.660 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.803 -13.118 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.039 -13.286 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.182 -14.877 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.058 -13.518 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.216 -13.493 2.614 1.00 0.00 H new ATOM 695 N PHE A 45 -2.084 -8.617 2.673 1.00 0.00 N ATOM 696 CA PHE A 45 -2.423 -7.204 2.657 1.00 0.00 C ATOM 697 C PHE A 45 -1.167 -6.337 2.756 1.00 0.00 C ATOM 698 O PHE A 45 -0.055 -6.857 2.847 1.00 0.00 O ATOM 699 CB PHE A 45 -3.307 -6.943 3.878 1.00 0.00 C ATOM 700 CG PHE A 45 -2.669 -7.351 5.207 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.753 -6.539 5.800 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.018 -8.526 5.796 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.161 -6.918 7.033 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.426 -8.906 7.029 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.510 -8.094 7.622 1.00 0.00 C ATOM 0 H PHE A 45 -1.262 -8.852 3.230 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.931 -6.954 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.553 -5.882 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.246 -7.484 3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.476 -5.606 5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.746 -9.170 5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.434 -6.273 7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.703 -9.840 7.496 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.060 -8.383 8.560 1.00 0.00 H new ATOM 715 N VAL A 46 -1.385 -5.031 2.736 1.00 0.00 N ATOM 716 CA VAL A 46 -0.284 -4.087 2.823 1.00 0.00 C ATOM 717 C VAL A 46 -0.511 -3.153 4.013 1.00 0.00 C ATOM 718 O VAL A 46 -1.650 -2.816 4.334 1.00 0.00 O ATOM 719 CB VAL A 46 -0.130 -3.338 1.497 1.00 0.00 C ATOM 720 CG1 VAL A 46 0.727 -2.083 1.672 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.450 -4.252 0.416 1.00 0.00 C ATOM 0 H VAL A 46 -2.308 -4.604 2.661 1.00 0.00 H new ATOM 0 HA VAL A 46 0.655 -4.612 2.996 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.122 -3.023 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.820 -1.570 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.255 -1.418 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.717 -2.365 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.549 -3.696 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.430 -4.611 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.215 -5.101 0.262 1.00 0.00 H new ATOM 731 N VAL A 47 0.591 -2.761 4.636 1.00 0.00 N ATOM 732 CA VAL A 47 0.526 -1.873 5.784 1.00 0.00 C ATOM 733 C VAL A 47 1.489 -0.702 5.572 1.00 0.00 C ATOM 734 O VAL A 47 2.499 -0.841 4.885 1.00 0.00 O ATOM 735 CB VAL A 47 0.810 -2.655 7.068 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.423 -3.445 7.512 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.018 -3.577 6.892 1.00 0.00 C ATOM 0 H VAL A 47 1.534 -3.042 4.367 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.476 -1.456 5.888 1.00 0.00 H new ATOM 0 HB VAL A 47 1.048 -1.937 7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.195 -3.992 8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.248 -2.758 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.705 -4.149 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.198 -4.121 7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.821 -4.286 6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.897 -2.982 6.644 1.00 0.00 H new ATOM 747 N GLY A 48 1.141 0.425 6.176 1.00 0.00 N ATOM 748 CA GLY A 48 1.961 1.619 6.063 1.00 0.00 C ATOM 749 C GLY A 48 1.378 2.588 5.032 1.00 0.00 C ATOM 750 O GLY A 48 1.600 3.795 5.115 1.00 0.00 O ATOM 0 H GLY A 48 0.302 0.536 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.028 2.112 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.975 1.342 5.775 1.00 0.00 H new ATOM 754 N LEU A 49 0.644 2.023 4.084 1.00 0.00 N ATOM 755 CA LEU A 49 0.028 2.822 3.039 1.00 0.00 C ATOM 756 C LEU A 49 -0.536 4.107 3.650 1.00 0.00 C ATOM 757 O LEU A 49 -0.873 4.140 4.832 1.00 0.00 O ATOM 758 CB LEU A 49 -1.010 1.997 2.275 1.00 0.00 C ATOM 759 CG LEU A 49 -0.457 1.026 1.230 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.529 0.026 0.791 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.143 1.782 0.042 1.00 0.00 C ATOM 0 H LEU A 49 0.462 1.021 4.018 1.00 0.00 H new ATOM 0 HA LEU A 49 0.771 3.120 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.596 1.428 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.696 2.683 1.778 1.00 0.00 H new ATOM 0 HG LEU A 49 0.350 0.454 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.111 -0.653 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.869 -0.546 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.372 0.564 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.529 1.068 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.627 2.396 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.955 2.421 0.390 1.00 0.00 H new ATOM 773 N PRO A 50 -0.623 5.160 2.794 1.00 0.00 N ATOM 774 CA PRO A 50 -1.141 6.444 3.238 1.00 0.00 C ATOM 775 C PRO A 50 -2.662 6.398 3.392 1.00 0.00 C ATOM 776 O PRO A 50 -3.280 5.356 3.180 1.00 0.00 O ATOM 777 CB PRO A 50 -0.680 7.438 2.185 1.00 0.00 C ATOM 778 CG PRO A 50 -0.324 6.613 0.959 1.00 0.00 C ATOM 779 CD PRO A 50 -0.234 5.157 1.387 1.00 0.00 C ATOM 0 HA PRO A 50 -0.773 6.729 4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.466 8.157 1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.181 8.007 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.079 6.737 0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.624 6.946 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.898 4.528 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.776 4.767 1.256 1.00 0.00 H new ATOM 787 N GLU A 51 -3.222 7.541 3.759 1.00 0.00 N ATOM 788 CA GLU A 51 -4.660 7.644 3.944 1.00 0.00 C ATOM 789 C GLU A 51 -5.361 7.774 2.591 1.00 0.00 C ATOM 790 O GLU A 51 -4.885 8.483 1.706 1.00 0.00 O ATOM 791 CB GLU A 51 -5.012 8.819 4.859 1.00 0.00 C ATOM 792 CG GLU A 51 -5.823 8.349 6.068 1.00 0.00 C ATOM 793 CD GLU A 51 -5.703 9.340 7.228 1.00 0.00 C ATOM 794 OE1 GLU A 51 -4.683 9.253 7.946 1.00 0.00 O ATOM 795 OE2 GLU A 51 -6.633 10.163 7.370 1.00 0.00 O ATOM 0 H GLU A 51 -2.706 8.404 3.933 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.011 6.732 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.098 9.307 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.582 9.561 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.870 8.238 5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.472 7.367 6.386 1.00 0.00 H new ATOM 802 N GLY A 52 -6.482 7.077 2.472 1.00 0.00 N ATOM 803 CA GLY A 52 -7.253 7.105 1.241 1.00 0.00 C ATOM 804 C GLY A 52 -6.509 6.391 0.111 1.00 0.00 C ATOM 805 O GLY A 52 -6.669 6.737 -1.059 1.00 0.00 O ATOM 0 H GLY A 52 -6.874 6.490 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.220 6.628 1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.451 8.138 0.955 1.00 0.00 H new ATOM 809 N ILE A 53 -5.711 5.407 0.500 1.00 0.00 N ATOM 810 CA ILE A 53 -4.942 4.642 -0.466 1.00 0.00 C ATOM 811 C ILE A 53 -4.808 3.198 0.023 1.00 0.00 C ATOM 812 O ILE A 53 -4.653 2.957 1.219 1.00 0.00 O ATOM 813 CB ILE A 53 -3.600 5.324 -0.744 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.799 6.795 -1.115 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.810 4.565 -1.812 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.493 7.416 -1.612 1.00 0.00 C ATOM 0 H ILE A 53 -5.581 5.122 1.471 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.461 4.608 -1.424 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.009 5.300 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.563 6.879 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.161 7.347 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.861 5.071 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.620 3.548 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.385 4.535 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.662 8.462 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.738 7.352 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.146 6.877 -2.494 1.00 0.00 H new ATOM 828 N SER A 54 -4.873 2.277 -0.927 1.00 0.00 N ATOM 829 CA SER A 54 -4.762 0.864 -0.607 1.00 0.00 C ATOM 830 C SER A 54 -3.791 0.184 -1.575 1.00 0.00 C ATOM 831 O SER A 54 -2.869 0.819 -2.084 1.00 0.00 O ATOM 832 CB SER A 54 -6.128 0.178 -0.657 1.00 0.00 C ATOM 833 OG SER A 54 -6.253 -0.838 0.334 1.00 0.00 O ATOM 0 H SER A 54 -5.001 2.481 -1.918 1.00 0.00 H new ATOM 0 HA SER A 54 -4.378 0.773 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.912 0.922 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.278 -0.259 -1.644 1.00 0.00 H new ATOM 0 HG SER A 54 -7.140 -1.250 0.270 1.00 0.00 H new ATOM 839 N LEU A 55 -4.032 -1.100 -1.800 1.00 0.00 N ATOM 840 CA LEU A 55 -3.191 -1.873 -2.697 1.00 0.00 C ATOM 841 C LEU A 55 -3.907 -2.046 -4.038 1.00 0.00 C ATOM 842 O LEU A 55 -4.913 -2.749 -4.122 1.00 0.00 O ATOM 843 CB LEU A 55 -2.782 -3.194 -2.043 1.00 0.00 C ATOM 844 CG LEU A 55 -1.791 -4.055 -2.830 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.530 -3.261 -3.175 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.468 -5.347 -2.078 1.00 0.00 C ATOM 0 H LEU A 55 -4.798 -1.624 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.260 -1.343 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.347 -2.974 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.682 -3.782 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.259 -4.341 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.158 -3.895 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.799 -2.396 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.049 -2.925 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.762 -5.940 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.028 -5.105 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.384 -5.919 -1.927 1.00 0.00 H new ATOM 858 N ARG A 56 -3.361 -1.393 -5.053 1.00 0.00 N ATOM 859 CA ARG A 56 -3.935 -1.466 -6.386 1.00 0.00 C ATOM 860 C ARG A 56 -2.893 -1.073 -7.435 1.00 0.00 C ATOM 861 O ARG A 56 -1.829 -0.557 -7.096 1.00 0.00 O ATOM 862 CB ARG A 56 -5.149 -0.544 -6.513 1.00 0.00 C ATOM 863 CG ARG A 56 -6.379 -1.162 -5.846 1.00 0.00 C ATOM 864 CD ARG A 56 -7.658 -0.786 -6.597 1.00 0.00 C ATOM 865 NE ARG A 56 -8.727 -1.765 -6.299 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.796 -1.971 -7.080 1.00 0.00 C ATOM 867 NH1 ARG A 56 -9.945 -1.268 -8.211 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.716 -2.881 -6.731 1.00 0.00 N ATOM 0 H ARG A 56 -2.527 -0.811 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.254 -2.495 -6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.928 0.420 -6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.358 -0.355 -7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.275 -2.247 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.446 -0.821 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.979 0.215 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.466 -0.761 -7.670 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.645 -2.318 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.245 -0.576 -8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.759 -1.425 -8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.602 -3.417 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.530 -3.038 -7.326 1.00 0.00 H new ATOM 882 N ARG A 57 -3.235 -1.333 -8.688 1.00 0.00 N ATOM 883 CA ARG A 57 -2.342 -1.013 -9.789 1.00 0.00 C ATOM 884 C ARG A 57 -1.913 0.454 -9.716 1.00 0.00 C ATOM 885 O ARG A 57 -2.738 1.335 -9.481 1.00 0.00 O ATOM 886 CB ARG A 57 -3.016 -1.273 -11.138 1.00 0.00 C ATOM 887 CG ARG A 57 -2.381 -2.472 -11.846 1.00 0.00 C ATOM 888 CD ARG A 57 -3.256 -2.950 -13.006 1.00 0.00 C ATOM 889 NE ARG A 57 -2.405 -3.437 -14.115 1.00 0.00 N ATOM 890 CZ ARG A 57 -1.853 -4.657 -14.157 1.00 0.00 C ATOM 891 NH1 ARG A 57 -2.058 -5.521 -13.154 1.00 0.00 N ATOM 892 NH2 ARG A 57 -1.094 -5.013 -15.203 1.00 0.00 N ATOM 0 H ARG A 57 -4.118 -1.762 -8.966 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.466 -1.656 -9.703 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.080 -1.456 -10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.931 -0.387 -11.768 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.394 -2.198 -12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.238 -3.285 -11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.919 -3.747 -12.668 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.890 -2.135 -13.354 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.228 -2.805 -14.895 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.635 -5.250 -12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.637 -6.450 -13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.937 -4.355 -15.966 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.674 -5.942 -15.235 1.00 0.00 H new ATOM 906 N PRO A 58 -0.587 0.676 -9.926 1.00 0.00 N ATOM 907 CA PRO A 58 -0.038 2.020 -9.885 1.00 0.00 C ATOM 908 C PRO A 58 -0.405 2.800 -11.150 1.00 0.00 C ATOM 909 O PRO A 58 0.473 3.309 -11.846 1.00 0.00 O ATOM 910 CB PRO A 58 1.460 1.829 -9.719 1.00 0.00 C ATOM 911 CG PRO A 58 1.746 0.395 -10.138 1.00 0.00 C ATOM 912 CD PRO A 58 0.420 -0.344 -10.206 1.00 0.00 C ATOM 0 HA PRO A 58 -0.443 2.615 -9.066 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.015 2.535 -10.337 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.764 2.002 -8.687 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.245 0.373 -11.107 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.414 -0.085 -9.424 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.267 -0.793 -11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.379 -1.152 -9.476 1.00 0.00 H new ATOM 920 N ASN A 59 -1.702 2.869 -11.409 1.00 0.00 N ATOM 921 CA ASN A 59 -2.195 3.579 -12.577 1.00 0.00 C ATOM 922 C ASN A 59 -3.525 4.254 -12.235 1.00 0.00 C ATOM 923 O ASN A 59 -3.724 5.429 -12.537 1.00 0.00 O ATOM 924 CB ASN A 59 -2.440 2.618 -13.742 1.00 0.00 C ATOM 925 CG ASN A 59 -3.184 3.316 -14.882 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.347 4.525 -14.903 1.00 0.00 O ATOM 927 ND2 ASN A 59 -3.625 2.490 -15.826 1.00 0.00 N ATOM 0 H ASN A 59 -2.427 2.445 -10.830 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.444 4.314 -12.866 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.488 2.233 -14.107 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.019 1.762 -13.396 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.134 2.859 -16.629 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.454 1.488 -15.747 1.00 0.00 H new ATOM 934 N CYS A 60 -4.400 3.482 -11.608 1.00 0.00 N ATOM 935 CA CYS A 60 -5.705 3.991 -11.221 1.00 0.00 C ATOM 936 C CYS A 60 -5.498 5.176 -10.277 1.00 0.00 C ATOM 937 O CYS A 60 -6.289 6.118 -10.274 1.00 0.00 O ATOM 938 CB CYS A 60 -6.572 2.901 -10.588 1.00 0.00 C ATOM 939 SG CYS A 60 -8.271 3.528 -10.323 1.00 0.00 S ATOM 0 H CYS A 60 -4.231 2.508 -11.358 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.246 4.324 -12.107 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.596 2.023 -11.234 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.139 2.586 -9.638 1.00 0.00 H new ATOM 0 HG CYS A 60 -8.238 4.818 -10.164 1.00 0.00 H new ATOM 945 N PHE A 61 -4.429 5.092 -9.498 1.00 0.00 N ATOM 946 CA PHE A 61 -4.108 6.146 -8.551 1.00 0.00 C ATOM 947 C PHE A 61 -3.686 7.425 -9.277 1.00 0.00 C ATOM 948 O PHE A 61 -3.310 7.384 -10.448 1.00 0.00 O ATOM 949 CB PHE A 61 -2.936 5.644 -7.704 1.00 0.00 C ATOM 950 CG PHE A 61 -3.298 4.498 -6.758 1.00 0.00 C ATOM 951 CD1 PHE A 61 -3.908 4.762 -5.572 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.010 3.214 -7.104 1.00 0.00 C ATOM 953 CE1 PHE A 61 -4.244 3.698 -4.694 1.00 0.00 C ATOM 954 CE2 PHE A 61 -3.346 2.150 -6.226 1.00 0.00 C ATOM 955 CZ PHE A 61 -3.956 2.414 -5.039 1.00 0.00 C ATOM 0 H PHE A 61 -3.774 4.310 -9.504 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.981 6.377 -7.941 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.136 5.315 -8.368 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.542 6.475 -7.118 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.137 5.781 -5.298 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.526 3.004 -8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.728 3.908 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.117 1.131 -6.501 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.211 1.605 -4.371 1.00 0.00 H new ATOM 965 N GLY A 62 -3.762 8.531 -8.552 1.00 0.00 N ATOM 966 CA GLY A 62 -3.393 9.820 -9.113 1.00 0.00 C ATOM 967 C GLY A 62 -1.987 10.229 -8.669 1.00 0.00 C ATOM 968 O GLY A 62 -1.500 9.769 -7.637 1.00 0.00 O ATOM 0 H GLY A 62 -4.074 8.562 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.435 9.773 -10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.112 10.577 -8.799 1.00 0.00 H new ATOM 972 N ILE A 63 -1.375 11.088 -9.470 1.00 0.00 N ATOM 973 CA ILE A 63 -0.034 11.563 -9.173 1.00 0.00 C ATOM 974 C ILE A 63 0.093 11.809 -7.668 1.00 0.00 C ATOM 975 O ILE A 63 0.962 11.236 -7.013 1.00 0.00 O ATOM 976 CB ILE A 63 0.301 12.788 -10.027 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.790 12.371 -11.415 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.306 13.695 -9.313 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.264 12.674 -12.482 1.00 0.00 C ATOM 0 H ILE A 63 -1.783 11.468 -10.324 1.00 0.00 H new ATOM 0 HA ILE A 63 0.706 10.807 -9.436 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.612 13.367 -10.168 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.714 12.898 -11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.020 11.306 -11.418 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.527 14.558 -9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.883 14.033 -8.367 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.225 13.140 -9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.109 12.368 -13.459 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.179 12.127 -12.255 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.474 13.744 -12.493 1.00 0.00 H new ATOM 991 N ALA A 64 -0.786 12.663 -7.164 1.00 0.00 N ATOM 992 CA ALA A 64 -0.783 12.992 -5.749 1.00 0.00 C ATOM 993 C ALA A 64 -0.720 11.701 -4.930 1.00 0.00 C ATOM 994 O ALA A 64 0.107 11.574 -4.028 1.00 0.00 O ATOM 995 CB ALA A 64 -2.017 13.833 -5.417 1.00 0.00 C ATOM 0 H ALA A 64 -1.505 13.137 -7.711 1.00 0.00 H new ATOM 0 HA ALA A 64 0.094 13.587 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.014 14.080 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.999 14.752 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.918 13.268 -5.656 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.604 10.776 -5.273 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.659 9.500 -4.581 1.00 0.00 C ATOM 1003 C LYS A 65 -0.326 8.771 -4.757 1.00 0.00 C ATOM 1004 O LYS A 65 0.341 8.442 -3.777 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.870 8.689 -5.047 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.176 9.411 -4.709 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.366 8.451 -4.776 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.464 8.870 -3.797 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.774 8.934 -4.483 1.00 0.00 N ATOM 0 H LYS A 65 -2.288 10.885 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.800 9.653 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.809 8.524 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.859 7.708 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.109 9.844 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.330 10.236 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.766 8.432 -5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.035 7.439 -4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.514 8.160 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.224 9.842 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.508 9.220 -3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.728 9.629 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.008 7.998 -4.872 1.00 0.00 H new ATOM 1023 N LEU A 66 0.024 8.540 -6.015 1.00 0.00 N ATOM 1024 CA LEU A 66 1.265 7.856 -6.332 1.00 0.00 C ATOM 1025 C LEU A 66 2.368 8.345 -5.391 1.00 0.00 C ATOM 1026 O LEU A 66 3.040 7.542 -4.746 1.00 0.00 O ATOM 1027 CB LEU A 66 1.604 8.022 -7.815 1.00 0.00 C ATOM 1028 CG LEU A 66 0.672 7.314 -8.800 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.946 7.766 -10.236 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.767 5.794 -8.649 1.00 0.00 C ATOM 0 H LEU A 66 -0.531 8.815 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 66 1.160 6.783 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.607 9.086 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.618 7.657 -7.978 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.354 7.597 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.270 7.248 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.787 8.841 -10.316 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.977 7.532 -10.501 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.095 5.315 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.790 5.472 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.484 5.511 -7.635 1.00 0.00 H new ATOM 1042 N ARG A 67 2.519 9.660 -5.342 1.00 0.00 N ATOM 1043 CA ARG A 67 3.528 10.266 -4.490 1.00 0.00 C ATOM 1044 C ARG A 67 3.372 9.774 -3.049 1.00 0.00 C ATOM 1045 O ARG A 67 4.313 9.235 -2.468 1.00 0.00 O ATOM 1046 CB ARG A 67 3.425 11.792 -4.514 1.00 0.00 C ATOM 1047 CG ARG A 67 3.846 12.349 -5.875 1.00 0.00 C ATOM 1048 CD ARG A 67 3.616 13.860 -5.945 1.00 0.00 C ATOM 1049 NE ARG A 67 3.694 14.320 -7.349 1.00 0.00 N ATOM 1050 CZ ARG A 67 3.560 15.598 -7.730 1.00 0.00 C ATOM 1051 NH1 ARG A 67 3.341 16.550 -6.814 1.00 0.00 N ATOM 1052 NH2 ARG A 67 3.645 15.923 -9.027 1.00 0.00 N ATOM 0 H ARG A 67 1.960 10.323 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 67 4.505 9.973 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.401 12.094 -4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.057 12.215 -3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.899 12.129 -6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.280 11.855 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.640 14.107 -5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.362 14.378 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 67 3.860 13.621 -8.073 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.276 16.302 -5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.239 17.523 -7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.812 15.198 -9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.543 16.896 -9.317 1.00 0.00 H new ATOM 1066 N LYS A 68 2.177 9.976 -2.515 1.00 0.00 N ATOM 1067 CA LYS A 68 1.885 9.560 -1.154 1.00 0.00 C ATOM 1068 C LYS A 68 2.523 8.193 -0.896 1.00 0.00 C ATOM 1069 O LYS A 68 3.392 8.062 -0.035 1.00 0.00 O ATOM 1070 CB LYS A 68 0.378 9.594 -0.894 1.00 0.00 C ATOM 1071 CG LYS A 68 -0.008 10.819 -0.062 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.439 11.979 -0.961 1.00 0.00 C ATOM 1073 CE LYS A 68 -1.613 12.743 -0.344 1.00 0.00 C ATOM 1074 NZ LYS A 68 -1.127 13.720 0.656 1.00 0.00 N ATOM 0 H LYS A 68 1.399 10.423 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 68 2.323 10.258 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.158 9.611 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.075 8.686 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.820 10.560 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.838 11.126 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.401 12.657 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.724 11.598 -1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.169 13.260 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.302 12.043 0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.936 14.230 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.616 13.219 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.487 14.399 0.196 1.00 0.00 H new ATOM 1088 N ILE A 69 2.066 7.209 -1.656 1.00 0.00 N ATOM 1089 CA ILE A 69 2.580 5.857 -1.521 1.00 0.00 C ATOM 1090 C ILE A 69 4.103 5.908 -1.377 1.00 0.00 C ATOM 1091 O ILE A 69 4.652 5.431 -0.385 1.00 0.00 O ATOM 1092 CB ILE A 69 2.101 4.983 -2.681 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.632 4.593 -2.503 1.00 0.00 C ATOM 1094 CG2 ILE A 69 3.002 3.758 -2.853 1.00 0.00 C ATOM 1095 CD1 ILE A 69 0.054 4.025 -3.801 1.00 0.00 C ATOM 0 H ILE A 69 1.344 7.321 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 69 2.189 5.389 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 69 2.171 5.566 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.542 3.854 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.055 5.465 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.639 3.153 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.022 4.083 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.987 3.164 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.991 3.756 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.123 4.775 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.618 3.139 -4.093 1.00 0.00 H new ATOM 1107 N LEU A 70 4.741 6.490 -2.382 1.00 0.00 N ATOM 1108 CA LEU A 70 6.189 6.609 -2.380 1.00 0.00 C ATOM 1109 C LEU A 70 6.643 7.237 -1.061 1.00 0.00 C ATOM 1110 O LEU A 70 7.580 6.753 -0.428 1.00 0.00 O ATOM 1111 CB LEU A 70 6.666 7.368 -3.619 1.00 0.00 C ATOM 1112 CG LEU A 70 6.422 6.680 -4.963 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.695 7.636 -6.126 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.239 5.392 -5.076 1.00 0.00 C ATOM 0 H LEU A 70 4.282 6.884 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 70 6.652 5.624 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.174 8.340 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.735 7.554 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 70 5.370 6.400 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.514 7.122 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.034 8.499 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.732 7.969 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.047 4.923 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.300 5.626 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.953 4.708 -4.277 1.00 0.00 H new ATOM 1126 N GLU A 71 5.957 8.306 -0.684 1.00 0.00 N ATOM 1127 CA GLU A 71 6.277 9.006 0.548 1.00 0.00 C ATOM 1128 C GLU A 71 6.066 8.085 1.752 1.00 0.00 C ATOM 1129 O GLU A 71 6.638 8.309 2.817 1.00 0.00 O ATOM 1130 CB GLU A 71 5.449 10.284 0.684 1.00 0.00 C ATOM 1131 CG GLU A 71 5.575 11.155 -0.567 1.00 0.00 C ATOM 1132 CD GLU A 71 5.685 12.636 -0.197 1.00 0.00 C ATOM 1133 OE1 GLU A 71 4.723 13.138 0.424 1.00 0.00 O ATOM 1134 OE2 GLU A 71 6.728 13.231 -0.542 1.00 0.00 O ATOM 0 H GLU A 71 5.180 8.705 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 71 7.327 9.295 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.403 10.028 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.781 10.845 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.453 10.853 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.709 11.001 -1.210 1.00 0.00 H new ATOM 1141 N ALA A 72 5.243 7.068 1.541 1.00 0.00 N ATOM 1142 CA ALA A 72 4.949 6.112 2.596 1.00 0.00 C ATOM 1143 C ALA A 72 5.612 4.773 2.263 1.00 0.00 C ATOM 1144 O ALA A 72 5.130 3.719 2.676 1.00 0.00 O ATOM 1145 CB ALA A 72 3.434 5.987 2.764 1.00 0.00 C ATOM 0 H ALA A 72 4.771 6.885 0.656 1.00 0.00 H new ATOM 0 HA ALA A 72 5.355 6.453 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.214 5.270 3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.016 6.958 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.991 5.643 1.829 1.00 0.00 H new ATOM 1151 N SER A 73 6.706 4.859 1.521 1.00 0.00 N ATOM 1152 CA SER A 73 7.439 3.667 1.129 1.00 0.00 C ATOM 1153 C SER A 73 8.066 3.010 2.360 1.00 0.00 C ATOM 1154 O SER A 73 7.667 1.915 2.754 1.00 0.00 O ATOM 1155 CB SER A 73 8.518 3.999 0.097 1.00 0.00 C ATOM 1156 OG SER A 73 9.492 4.902 0.614 1.00 0.00 O ATOM 0 H SER A 73 7.103 5.735 1.181 1.00 0.00 H new ATOM 0 HA SER A 73 6.738 2.970 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.009 3.080 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.052 4.435 -0.787 1.00 0.00 H new ATOM 0 HG SER A 73 9.203 5.824 0.450 1.00 0.00 H new ATOM 1162 N ASN A 74 9.037 3.705 2.933 1.00 0.00 N ATOM 1163 CA ASN A 74 9.723 3.203 4.111 1.00 0.00 C ATOM 1164 C ASN A 74 8.693 2.656 5.101 1.00 0.00 C ATOM 1165 O ASN A 74 8.960 1.686 5.808 1.00 0.00 O ATOM 1166 CB ASN A 74 10.506 4.316 4.809 1.00 0.00 C ATOM 1167 CG ASN A 74 11.541 4.933 3.867 1.00 0.00 C ATOM 1168 OD1 ASN A 74 11.891 4.378 2.838 1.00 0.00 O ATOM 1169 ND2 ASN A 74 12.010 6.109 4.273 1.00 0.00 N ATOM 0 H ASN A 74 9.365 4.613 2.603 1.00 0.00 H new ATOM 0 HA ASN A 74 10.414 2.423 3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.818 5.088 5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.005 3.916 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.705 6.602 3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.675 6.518 5.145 1.00 0.00 H new ATOM 1176 N SER A 75 7.537 3.304 5.121 1.00 0.00 N ATOM 1177 CA SER A 75 6.466 2.895 6.013 1.00 0.00 C ATOM 1178 C SER A 75 5.747 1.671 5.442 1.00 0.00 C ATOM 1179 O SER A 75 5.452 0.724 6.169 1.00 0.00 O ATOM 1180 CB SER A 75 5.472 4.036 6.240 1.00 0.00 C ATOM 1181 OG SER A 75 5.793 4.801 7.399 1.00 0.00 O ATOM 0 H SER A 75 7.319 4.109 4.534 1.00 0.00 H new ATOM 0 HA SER A 75 6.905 2.634 6.976 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.463 4.688 5.366 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.467 3.626 6.343 1.00 0.00 H new ATOM 0 HG SER A 75 5.136 5.520 7.508 1.00 0.00 H new ATOM 1187 N ILE A 76 5.486 1.731 4.144 1.00 0.00 N ATOM 1188 CA ILE A 76 4.807 0.639 3.466 1.00 0.00 C ATOM 1189 C ILE A 76 5.493 -0.682 3.823 1.00 0.00 C ATOM 1190 O ILE A 76 6.679 -0.702 4.147 1.00 0.00 O ATOM 1191 CB ILE A 76 4.733 0.906 1.962 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.441 1.642 1.599 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.896 -0.390 1.166 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.434 2.043 0.123 1.00 0.00 C ATOM 0 H ILE A 76 5.732 2.518 3.544 1.00 0.00 H new ATOM 0 HA ILE A 76 3.774 0.564 3.804 1.00 0.00 H new ATOM 0 HB ILE A 76 5.563 1.558 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.583 1.004 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.338 2.531 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.839 -0.172 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.863 -0.838 1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.102 -1.086 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.505 2.564 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.279 2.701 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.513 1.150 -0.497 1.00 0.00 H new ATOM 1206 N GLN A 77 4.717 -1.753 3.750 1.00 0.00 N ATOM 1207 CA GLN A 77 5.234 -3.074 4.062 1.00 0.00 C ATOM 1208 C GLN A 77 4.215 -4.148 3.674 1.00 0.00 C ATOM 1209 O GLN A 77 3.063 -4.099 4.102 1.00 0.00 O ATOM 1210 CB GLN A 77 5.608 -3.182 5.541 1.00 0.00 C ATOM 1211 CG GLN A 77 6.562 -4.355 5.781 1.00 0.00 C ATOM 1212 CD GLN A 77 7.331 -4.176 7.092 1.00 0.00 C ATOM 1213 OE1 GLN A 77 8.215 -3.345 7.214 1.00 0.00 O ATOM 1214 NE2 GLN A 77 6.945 -5.001 8.062 1.00 0.00 N ATOM 0 H GLN A 77 3.734 -1.733 3.479 1.00 0.00 H new ATOM 0 HA GLN A 77 6.141 -3.234 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.076 -2.254 5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.706 -3.314 6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.998 -5.287 5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.264 -4.433 4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.197 -5.674 7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.397 -4.961 8.976 1.00 0.00 H new ATOM 1223 N PHE A 78 4.677 -5.093 2.867 1.00 0.00 N ATOM 1224 CA PHE A 78 3.820 -6.176 2.417 1.00 0.00 C ATOM 1225 C PHE A 78 3.833 -7.336 3.415 1.00 0.00 C ATOM 1226 O PHE A 78 4.742 -8.164 3.399 1.00 0.00 O ATOM 1227 CB PHE A 78 4.381 -6.664 1.080 1.00 0.00 C ATOM 1228 CG PHE A 78 3.944 -5.824 -0.122 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.176 -4.484 -0.135 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.323 -6.417 -1.176 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.770 -3.704 -1.251 1.00 0.00 C ATOM 1232 CE2 PHE A 78 2.917 -5.638 -2.292 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.149 -4.298 -2.305 1.00 0.00 C ATOM 0 H PHE A 78 5.633 -5.130 2.514 1.00 0.00 H new ATOM 0 HA PHE A 78 2.793 -5.823 2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.470 -6.665 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.069 -7.696 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.669 -4.013 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.138 -7.481 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.954 -2.640 -1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.424 -6.109 -3.130 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.840 -3.705 -3.153 1.00 0.00 H new ATOM 1243 N VAL A 79 2.812 -7.359 4.260 1.00 0.00 N ATOM 1244 CA VAL A 79 2.694 -8.403 5.263 1.00 0.00 C ATOM 1245 C VAL A 79 2.054 -9.641 4.632 1.00 0.00 C ATOM 1246 O VAL A 79 1.033 -9.539 3.953 1.00 0.00 O ATOM 1247 CB VAL A 79 1.918 -7.880 6.474 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.641 -9.004 7.475 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.660 -6.722 7.142 1.00 0.00 C ATOM 0 H VAL A 79 2.059 -6.671 4.270 1.00 0.00 H new ATOM 0 HA VAL A 79 3.679 -8.696 5.627 1.00 0.00 H new ATOM 0 HB VAL A 79 0.959 -7.503 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.089 -8.605 8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.052 -9.784 6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.585 -9.425 7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.087 -6.369 7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.640 -7.062 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.782 -5.908 6.428 1.00 0.00 H new ATOM 1259 N ILE A 80 2.680 -10.782 4.878 1.00 0.00 N ATOM 1260 CA ILE A 80 2.185 -12.039 4.342 1.00 0.00 C ATOM 1261 C ILE A 80 1.673 -12.911 5.490 1.00 0.00 C ATOM 1262 O ILE A 80 2.365 -13.095 6.490 1.00 0.00 O ATOM 1263 CB ILE A 80 3.256 -12.715 3.485 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.997 -11.691 2.623 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.654 -13.843 2.645 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.051 -11.038 1.613 1.00 0.00 C ATOM 0 H ILE A 80 3.526 -10.863 5.442 1.00 0.00 H new ATOM 0 HA ILE A 80 1.341 -11.863 3.675 1.00 0.00 H new ATOM 0 HB ILE A 80 3.991 -13.166 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.439 -10.925 3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.817 -12.179 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.437 -14.307 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.210 -14.590 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.885 -13.437 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.603 -10.314 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.630 -11.804 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.246 -10.530 2.144 1.00 0.00 H new ATOM 1278 N LYS A 81 0.466 -13.426 5.307 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.146 -14.275 6.315 1.00 0.00 C ATOM 1280 C LYS A 81 -0.272 -15.699 5.768 1.00 0.00 C ATOM 1281 O LYS A 81 0.015 -16.666 6.472 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.473 -13.677 6.785 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.314 -12.195 7.132 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.118 -12.002 8.637 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.414 -11.538 9.304 1.00 0.00 C ATOM 1286 NZ LYS A 81 -2.682 -12.332 10.524 1.00 0.00 N ATOM 0 H LYS A 81 -0.105 -13.272 4.476 1.00 0.00 H new ATOM 0 HA LYS A 81 0.485 -14.329 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.225 -13.793 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.833 -14.222 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.461 -11.782 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.195 -11.644 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.788 -12.938 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.331 -11.269 8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.340 -10.481 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.246 -11.640 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.565 -12.004 10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.773 -13.337 10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.896 -12.214 11.195 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.702 -15.782 4.518 1.00 0.00 N ATOM 1301 CA ARG A 82 -0.870 -17.071 3.868 1.00 0.00 C ATOM 1302 C ARG A 82 -0.338 -17.017 2.435 1.00 0.00 C ATOM 1303 O ARG A 82 -1.052 -16.613 1.519 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.342 -17.487 3.843 1.00 0.00 C ATOM 1305 CG ARG A 82 -2.889 -17.656 5.262 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.209 -18.430 5.253 1.00 0.00 C ATOM 1307 NE ARG A 82 -3.980 -19.826 5.687 1.00 0.00 N ATOM 1308 CZ ARG A 82 -3.536 -20.171 6.903 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -3.269 -19.224 7.813 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -3.358 -21.463 7.210 1.00 0.00 N ATOM 0 H ARG A 82 -0.939 -14.978 3.938 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.306 -17.807 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.927 -16.736 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.450 -18.423 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.159 -18.183 5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.041 -16.677 5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.927 -17.948 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.640 -18.418 4.252 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.172 -20.572 5.019 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.404 -18.240 7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.931 -19.487 8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.561 -22.184 6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.020 -21.725 8.136 1.00 0.00 H new ATOM 1324 N PRO A 83 0.945 -17.440 2.282 1.00 0.00 N ATOM 1325 CA PRO A 83 1.582 -17.443 0.976 1.00 0.00 C ATOM 1326 C PRO A 83 1.062 -18.597 0.116 1.00 0.00 C ATOM 1327 O PRO A 83 1.256 -18.607 -1.099 1.00 0.00 O ATOM 1328 CB PRO A 83 3.071 -17.541 1.264 1.00 0.00 C ATOM 1329 CG PRO A 83 3.187 -18.055 2.690 1.00 0.00 C ATOM 1330 CD PRO A 83 1.821 -17.924 3.345 1.00 0.00 C ATOM 0 HA PRO A 83 1.361 -16.546 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.560 -18.218 0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.554 -16.570 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.515 -19.094 2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.932 -17.483 3.243 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.476 -18.881 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.849 -17.228 4.183 1.00 0.00 H new ATOM 1338 N GLU A 84 0.413 -19.542 0.780 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.136 -20.698 0.091 1.00 0.00 C ATOM 1340 C GLU A 84 -1.142 -20.254 -0.973 1.00 0.00 C ATOM 1341 O GLU A 84 -1.353 -20.953 -1.962 1.00 0.00 O ATOM 1342 CB GLU A 84 -0.779 -21.671 1.081 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.023 -21.056 1.725 1.00 0.00 C ATOM 1344 CD GLU A 84 -2.931 -22.140 2.309 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.375 -23.167 2.753 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -4.161 -21.916 2.299 1.00 0.00 O ATOM 0 H GLU A 84 0.255 -19.531 1.788 1.00 0.00 H new ATOM 0 HA GLU A 84 0.680 -21.222 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.050 -22.593 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.059 -21.937 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.725 -20.364 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.573 -20.477 0.983 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.735 -19.094 -0.733 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.713 -18.548 -1.659 1.00 0.00 C ATOM 1355 C LEU A 85 -2.017 -18.180 -2.971 1.00 0.00 C ATOM 1356 O LEU A 85 -2.536 -18.455 -4.052 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.468 -17.384 -1.016 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.125 -17.675 0.335 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.667 -16.392 0.969 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.206 -18.749 0.200 1.00 0.00 C ATOM 0 H LEU A 85 -1.557 -18.517 0.089 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.470 -19.295 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.774 -16.553 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.241 -17.051 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.363 -18.069 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.129 -16.627 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.849 -15.688 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.410 -15.945 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.656 -18.936 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.973 -18.408 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.759 -19.669 -0.176 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.853 -17.563 -2.833 1.00 0.00 N ATOM 1373 CA LEU A 86 -0.080 -17.155 -3.994 1.00 0.00 C ATOM 1374 C LEU A 86 -0.075 -18.287 -5.023 1.00 0.00 C ATOM 1375 O LEU A 86 -0.447 -18.084 -6.177 1.00 0.00 O ATOM 1376 CB LEU A 86 1.319 -16.699 -3.574 1.00 0.00 C ATOM 1377 CG LEU A 86 1.375 -15.577 -2.536 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.817 -15.298 -2.108 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.676 -14.317 -3.052 1.00 0.00 C ATOM 0 H LEU A 86 -0.426 -17.336 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.541 -16.291 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.857 -17.561 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.855 -16.370 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 86 0.833 -15.905 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.829 -14.496 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.248 -16.199 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.403 -14.999 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.730 -13.535 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.168 -13.975 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.369 -14.542 -3.267 1.00 0.00 H new