USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 645 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 42 SER OG : rot 180:sc= 0.0004 USER MOD Set 1.2: A 44 THR OG1 : rot 80:sc= 0.00102 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 18:sc= 0.201 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 11 GLN : amide:sc= -0.575 X(o=-0.57,f=-0.21) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.6) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -2.36 F(o=-3.8!,f=-2.4) USER MOD Single : A 28 GLN : amide:sc= -0.22 K(o=-0.22,f=-0.95) USER MOD Single : A 32 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.6) USER MOD Single : A 34 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-3!) USER MOD Single : A 36 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 51 HIS :FLIP no HE2:sc= -2.97 F(o=-4.7!,f=-3) USER MOD Single : A 58 ASN : amide:sc= -7.71! C(o=-7.7!,f=-8.1!) USER MOD Single : A 60 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.89) USER MOD Single : A 63 LYS NZ :NH3+ -120:sc= -1.76! (180deg=-5.01!) USER MOD Single : A 68 SER OG : rot -80:sc= 1.01 USER MOD Single : A 69 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.7!) USER MOD Single : A 73 TYR OH : rot -96:sc= 1.03 USER MOD Single : A 74 SER OG : rot 42:sc= 0.978 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc=-0.00691 X(o=-0.0069,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.746 -2.444 17.369 1.00 0.00 N ATOM 2 CA MET A 1 30.421 -2.031 16.936 1.00 0.00 C ATOM 3 C MET A 1 29.817 -3.051 15.969 1.00 0.00 C ATOM 4 O MET A 1 30.414 -3.367 14.941 1.00 0.00 O ATOM 5 CB MET A 1 30.512 -0.667 16.249 1.00 0.00 C ATOM 6 CG MET A 1 30.588 0.463 17.278 1.00 0.00 C ATOM 7 SD MET A 1 29.475 1.780 16.822 1.00 0.00 S ATOM 8 CE MET A 1 29.047 2.400 18.441 1.00 0.00 C ATOM 0 H1 MET A 1 32.134 -1.735 18.024 1.00 0.00 H new ATOM 0 H2 MET A 1 31.683 -3.363 17.851 1.00 0.00 H new ATOM 0 H3 MET A 1 32.371 -2.529 16.542 1.00 0.00 H new ATOM 0 HA MET A 1 29.776 -1.965 17.812 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.392 -0.638 15.606 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.643 -0.521 15.607 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.330 0.084 18.267 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.608 0.843 17.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.352 3.234 18.339 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.578 1.606 19.023 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.949 2.739 18.951 1.00 0.00 H new ATOM 18 N ARG A 2 28.640 -3.539 16.334 1.00 0.00 N ATOM 19 CA ARG A 2 27.948 -4.516 15.511 1.00 0.00 C ATOM 20 C ARG A 2 27.162 -3.816 14.402 1.00 0.00 C ATOM 21 O ARG A 2 26.041 -3.359 14.624 1.00 0.00 O ATOM 22 CB ARG A 2 26.990 -5.363 16.351 1.00 0.00 C ATOM 23 CG ARG A 2 26.693 -6.697 15.666 1.00 0.00 C ATOM 24 CD ARG A 2 27.032 -7.874 16.584 1.00 0.00 C ATOM 25 NE ARG A 2 27.163 -9.115 15.790 1.00 0.00 N ATOM 26 CZ ARG A 2 27.390 -10.325 16.318 1.00 0.00 C ATOM 27 NH1 ARG A 2 27.512 -10.464 17.645 1.00 0.00 N ATOM 28 NH2 ARG A 2 27.495 -11.396 15.520 1.00 0.00 N ATOM 0 H ARG A 2 28.149 -3.276 17.188 1.00 0.00 H new ATOM 0 HA ARG A 2 28.700 -5.169 15.069 1.00 0.00 H new ATOM 0 HB2 ARG A 2 27.425 -5.544 17.334 1.00 0.00 H new ATOM 0 HB3 ARG A 2 26.060 -4.817 16.510 1.00 0.00 H new ATOM 0 HG2 ARG A 2 25.640 -6.740 15.388 1.00 0.00 H new ATOM 0 HG3 ARG A 2 27.270 -6.773 14.744 1.00 0.00 H new ATOM 0 HD2 ARG A 2 27.962 -7.674 17.117 1.00 0.00 H new ATOM 0 HD3 ARG A 2 26.253 -7.995 17.337 1.00 0.00 H new ATOM 0 HE ARG A 2 27.075 -9.045 14.776 1.00 0.00 H new ATOM 0 HH11 ARG A 2 27.432 -9.649 18.253 1.00 0.00 H new ATOM 0 HH12 ARG A 2 27.685 -11.385 18.048 1.00 0.00 H new ATOM 0 HH21 ARG A 2 27.402 -11.290 14.510 1.00 0.00 H new ATOM 0 HH22 ARG A 2 27.668 -12.317 15.923 1.00 0.00 H new ATOM 42 N SER A 3 27.779 -3.753 13.232 1.00 0.00 N ATOM 43 CA SER A 3 27.150 -3.116 12.087 1.00 0.00 C ATOM 44 C SER A 3 25.692 -3.564 11.975 1.00 0.00 C ATOM 45 O SER A 3 25.408 -4.759 11.919 1.00 0.00 O ATOM 46 CB SER A 3 27.904 -3.434 10.796 1.00 0.00 C ATOM 47 OG SER A 3 27.808 -4.813 10.448 1.00 0.00 O ATOM 0 H SER A 3 28.708 -4.133 13.052 1.00 0.00 H new ATOM 0 HA SER A 3 27.181 -2.037 12.236 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.505 -2.826 9.984 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.953 -3.161 10.912 1.00 0.00 H new ATOM 0 HG SER A 3 27.063 -5.222 10.936 1.00 0.00 H new ATOM 53 N LEU A 4 24.803 -2.581 11.946 1.00 0.00 N ATOM 54 CA LEU A 4 23.382 -2.859 11.840 1.00 0.00 C ATOM 55 C LEU A 4 23.156 -3.949 10.790 1.00 0.00 C ATOM 56 O LEU A 4 24.029 -4.211 9.964 1.00 0.00 O ATOM 57 CB LEU A 4 22.601 -1.572 11.568 1.00 0.00 C ATOM 58 CG LEU A 4 21.077 -1.689 11.608 1.00 0.00 C ATOM 59 CD1 LEU A 4 20.450 -0.472 12.290 1.00 0.00 C ATOM 60 CD2 LEU A 4 20.508 -1.917 10.205 1.00 0.00 C ATOM 0 H LEU A 4 25.041 -1.590 11.994 1.00 0.00 H new ATOM 0 HA LEU A 4 22.999 -3.242 12.786 1.00 0.00 H new ATOM 0 HB2 LEU A 4 22.907 -0.824 12.299 1.00 0.00 H new ATOM 0 HB3 LEU A 4 22.891 -1.196 10.587 1.00 0.00 H new ATOM 0 HG LEU A 4 20.817 -2.562 12.207 1.00 0.00 H new ATOM 0 HD11 LEU A 4 19.366 -0.582 12.305 1.00 0.00 H new ATOM 0 HD12 LEU A 4 20.821 -0.396 13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 4 20.716 0.431 11.740 1.00 0.00 H new ATOM 0 HD21 LEU A 4 19.422 -1.997 10.261 1.00 0.00 H new ATOM 0 HD22 LEU A 4 20.777 -1.079 9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 4 20.919 -2.838 9.791 1.00 0.00 H new ATOM 72 N GLU A 5 21.979 -4.554 10.855 1.00 0.00 N ATOM 73 CA GLU A 5 21.627 -5.609 9.920 1.00 0.00 C ATOM 74 C GLU A 5 20.430 -5.184 9.065 1.00 0.00 C ATOM 75 O GLU A 5 19.666 -4.303 9.457 1.00 0.00 O ATOM 76 CB GLU A 5 21.338 -6.919 10.655 1.00 0.00 C ATOM 77 CG GLU A 5 21.535 -8.121 9.729 1.00 0.00 C ATOM 78 CD GLU A 5 22.260 -9.258 10.453 1.00 0.00 C ATOM 79 OE1 GLU A 5 21.585 -9.945 11.250 1.00 0.00 O ATOM 80 OE2 GLU A 5 23.473 -9.413 10.193 1.00 0.00 O ATOM 0 H GLU A 5 21.257 -4.334 11.541 1.00 0.00 H new ATOM 0 HA GLU A 5 22.477 -5.781 9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 5 21.997 -7.009 11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.316 -6.910 11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.567 -8.472 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 5 22.108 -7.819 8.852 1.00 0.00 H new ATOM 87 N THR A 6 20.306 -5.829 7.916 1.00 0.00 N ATOM 88 CA THR A 6 19.216 -5.530 7.004 1.00 0.00 C ATOM 89 C THR A 6 18.104 -6.571 7.140 1.00 0.00 C ATOM 90 O THR A 6 18.303 -7.620 7.752 1.00 0.00 O ATOM 91 CB THR A 6 19.794 -5.440 5.589 1.00 0.00 C ATOM 92 OG1 THR A 6 20.573 -6.625 5.457 1.00 0.00 O ATOM 93 CG2 THR A 6 20.812 -4.307 5.443 1.00 0.00 C ATOM 0 H THR A 6 20.943 -6.558 7.595 1.00 0.00 H new ATOM 0 HA THR A 6 18.753 -4.573 7.244 1.00 0.00 H new ATOM 0 HB THR A 6 18.984 -5.294 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 6 20.983 -6.649 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 6 21.191 -4.288 4.421 1.00 0.00 H new ATOM 0 HG22 THR A 6 20.332 -3.355 5.670 1.00 0.00 H new ATOM 0 HG23 THR A 6 21.639 -4.470 6.133 1.00 0.00 H new ATOM 101 N PHE A 7 16.958 -6.247 6.560 1.00 0.00 N ATOM 102 CA PHE A 7 15.814 -7.141 6.610 1.00 0.00 C ATOM 103 C PHE A 7 14.651 -6.590 5.783 1.00 0.00 C ATOM 104 O PHE A 7 14.540 -5.380 5.590 1.00 0.00 O ATOM 105 CB PHE A 7 15.383 -7.235 8.075 1.00 0.00 C ATOM 106 CG PHE A 7 15.610 -5.949 8.874 1.00 0.00 C ATOM 107 CD1 PHE A 7 14.682 -4.956 8.841 1.00 0.00 C ATOM 108 CD2 PHE A 7 16.739 -5.801 9.617 1.00 0.00 C ATOM 109 CE1 PHE A 7 14.892 -3.763 9.583 1.00 0.00 C ATOM 110 CE2 PHE A 7 16.949 -4.608 10.358 1.00 0.00 C ATOM 111 CZ PHE A 7 16.022 -3.615 10.325 1.00 0.00 C ATOM 0 H PHE A 7 16.797 -5.377 6.053 1.00 0.00 H new ATOM 0 HA PHE A 7 16.085 -8.115 6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.325 -7.494 8.116 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.929 -8.049 8.552 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.785 -5.074 8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 7 17.476 -6.590 9.644 1.00 0.00 H new ATOM 0 HE1 PHE A 7 14.155 -2.974 9.558 1.00 0.00 H new ATOM 0 HE2 PHE A 7 17.846 -4.490 10.948 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.183 -2.708 10.888 1.00 0.00 H new ATOM 121 N VAL A 8 13.813 -7.504 5.317 1.00 0.00 N ATOM 122 CA VAL A 8 12.662 -7.125 4.515 1.00 0.00 C ATOM 123 C VAL A 8 11.459 -6.897 5.432 1.00 0.00 C ATOM 124 O VAL A 8 11.621 -6.512 6.590 1.00 0.00 O ATOM 125 CB VAL A 8 12.401 -8.183 3.440 1.00 0.00 C ATOM 126 CG1 VAL A 8 11.577 -9.343 4.001 1.00 0.00 C ATOM 127 CG2 VAL A 8 11.719 -7.565 2.217 1.00 0.00 C ATOM 0 H VAL A 8 13.908 -8.506 5.479 1.00 0.00 H new ATOM 0 HA VAL A 8 12.854 -6.189 3.991 1.00 0.00 H new ATOM 0 HB VAL A 8 13.364 -8.581 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.406 -10.080 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.118 -9.808 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.619 -8.968 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.545 -8.338 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.766 -7.127 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.359 -6.790 1.796 1.00 0.00 H new ATOM 137 N GLY A 9 10.280 -7.143 4.882 1.00 0.00 N ATOM 138 CA GLY A 9 9.051 -6.969 5.636 1.00 0.00 C ATOM 139 C GLY A 9 8.047 -6.115 4.860 1.00 0.00 C ATOM 140 O GLY A 9 8.430 -5.166 4.178 1.00 0.00 O ATOM 0 H GLY A 9 10.150 -7.462 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.613 -7.943 5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.271 -6.497 6.594 1.00 0.00 H new ATOM 144 N ASP A 10 6.780 -6.483 4.989 1.00 0.00 N ATOM 145 CA ASP A 10 5.718 -5.762 4.308 1.00 0.00 C ATOM 146 C ASP A 10 5.449 -4.446 5.041 1.00 0.00 C ATOM 147 O ASP A 10 6.134 -4.120 6.010 1.00 0.00 O ATOM 148 CB ASP A 10 4.420 -6.572 4.299 1.00 0.00 C ATOM 149 CG ASP A 10 4.241 -7.492 3.089 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.013 -6.945 1.989 1.00 0.00 O ATOM 151 OD2 ASP A 10 4.335 -8.722 3.293 1.00 0.00 O ATOM 0 H ASP A 10 6.465 -7.271 5.555 1.00 0.00 H new ATOM 0 HA ASP A 10 6.038 -5.582 3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.380 -7.176 5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.578 -5.881 4.339 1.00 0.00 H new ATOM 156 N GLN A 11 4.451 -3.726 4.550 1.00 0.00 N ATOM 157 CA GLN A 11 4.083 -2.453 5.147 1.00 0.00 C ATOM 158 C GLN A 11 2.732 -1.984 4.605 1.00 0.00 C ATOM 159 O GLN A 11 2.437 -2.161 3.424 1.00 0.00 O ATOM 160 CB GLN A 11 5.166 -1.400 4.904 1.00 0.00 C ATOM 161 CG GLN A 11 4.994 -0.208 5.847 1.00 0.00 C ATOM 162 CD GLN A 11 5.676 1.040 5.284 1.00 0.00 C ATOM 163 OE1 GLN A 11 6.881 1.211 5.367 1.00 0.00 O ATOM 164 NE2 GLN A 11 4.841 1.900 4.706 1.00 0.00 N ATOM 0 H GLN A 11 3.886 -4.000 3.746 1.00 0.00 H new ATOM 0 HA GLN A 11 3.992 -2.592 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.150 -1.845 5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.121 -1.059 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.933 -0.010 5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.416 -0.448 6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.842 1.696 4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.200 2.764 4.298 1.00 0.00 H new ATOM 173 N VAL A 12 1.946 -1.394 5.495 1.00 0.00 N ATOM 174 CA VAL A 12 0.633 -0.899 5.120 1.00 0.00 C ATOM 175 C VAL A 12 0.722 0.601 4.829 1.00 0.00 C ATOM 176 O VAL A 12 1.736 1.234 5.120 1.00 0.00 O ATOM 177 CB VAL A 12 -0.385 -1.236 6.212 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.780 -1.438 5.618 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.055 -2.465 7.010 1.00 0.00 C ATOM 0 H VAL A 12 2.194 -1.248 6.474 1.00 0.00 H new ATOM 0 HA VAL A 12 0.287 -1.387 4.209 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.433 -0.390 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.484 -1.676 6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.097 -0.524 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.754 -2.257 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.685 -2.683 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.146 -3.320 6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.019 -2.268 7.479 1.00 0.00 H new ATOM 189 N LEU A 13 -0.352 1.126 4.259 1.00 0.00 N ATOM 190 CA LEU A 13 -0.408 2.539 3.925 1.00 0.00 C ATOM 191 C LEU A 13 -1.871 2.970 3.793 1.00 0.00 C ATOM 192 O LEU A 13 -2.716 2.187 3.363 1.00 0.00 O ATOM 193 CB LEU A 13 0.433 2.829 2.681 1.00 0.00 C ATOM 194 CG LEU A 13 -0.239 2.545 1.336 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.552 3.846 0.594 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.610 1.594 0.490 1.00 0.00 C ATOM 0 H LEU A 13 -1.191 0.598 4.020 1.00 0.00 H new ATOM 0 HA LEU A 13 0.030 3.137 4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.728 3.878 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.348 2.239 2.739 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.189 2.046 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.029 3.616 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.223 4.457 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.373 4.394 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.110 1.408 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.586 2.044 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.740 0.651 1.022 1.00 0.00 H new ATOM 208 N GLU A 14 -2.123 4.215 4.172 1.00 0.00 N ATOM 209 CA GLU A 14 -3.468 4.759 4.102 1.00 0.00 C ATOM 210 C GLU A 14 -3.637 5.594 2.830 1.00 0.00 C ATOM 211 O GLU A 14 -2.886 6.541 2.601 1.00 0.00 O ATOM 212 CB GLU A 14 -3.791 5.587 5.347 1.00 0.00 C ATOM 213 CG GLU A 14 -2.576 6.404 5.793 1.00 0.00 C ATOM 214 CD GLU A 14 -3.009 7.689 6.499 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.193 8.055 6.338 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.145 8.278 7.185 1.00 0.00 O ATOM 0 H GLU A 14 -1.419 4.861 4.528 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.173 3.928 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.626 6.255 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.107 4.927 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.958 5.807 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.961 6.650 4.927 1.00 0.00 H new ATOM 223 N ILE A 15 -4.627 5.212 2.037 1.00 0.00 N ATOM 224 CA ILE A 15 -4.904 5.913 0.795 1.00 0.00 C ATOM 225 C ILE A 15 -6.279 6.578 0.886 1.00 0.00 C ATOM 226 O ILE A 15 -7.168 6.084 1.578 1.00 0.00 O ATOM 227 CB ILE A 15 -4.755 4.969 -0.399 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.382 4.294 -0.397 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.034 5.699 -1.714 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.425 2.959 -1.141 1.00 0.00 C ATOM 0 H ILE A 15 -5.247 4.426 2.231 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.175 6.707 0.635 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.501 4.180 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.649 4.951 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.055 4.131 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.921 5.005 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.051 6.091 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.329 6.522 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.436 2.501 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.141 2.295 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.729 3.128 -2.174 1.00 0.00 H new ATOM 242 N VAL A 16 -6.412 7.689 0.175 1.00 0.00 N ATOM 243 CA VAL A 16 -7.664 8.427 0.167 1.00 0.00 C ATOM 244 C VAL A 16 -7.933 8.949 -1.246 1.00 0.00 C ATOM 245 O VAL A 16 -7.460 10.023 -1.615 1.00 0.00 O ATOM 246 CB VAL A 16 -7.624 9.538 1.217 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.994 10.203 1.365 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.125 9.004 2.562 1.00 0.00 C ATOM 0 H VAL A 16 -5.674 8.096 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.494 7.774 0.437 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.919 10.296 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.937 10.989 2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.294 10.636 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.728 9.459 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.106 9.814 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.793 8.217 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.120 8.600 2.443 1.00 0.00 H new ATOM 258 N PRO A 17 -8.711 8.145 -2.018 1.00 0.00 N ATOM 259 CA PRO A 17 -9.049 8.514 -3.382 1.00 0.00 C ATOM 260 C PRO A 17 -10.109 9.619 -3.404 1.00 0.00 C ATOM 261 O PRO A 17 -10.500 10.130 -2.356 1.00 0.00 O ATOM 262 CB PRO A 17 -9.522 7.225 -4.034 1.00 0.00 C ATOM 263 CG PRO A 17 -9.872 6.284 -2.892 1.00 0.00 C ATOM 264 CD PRO A 17 -9.289 6.865 -1.615 1.00 0.00 C ATOM 0 HA PRO A 17 -8.202 8.932 -3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.388 7.405 -4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.743 6.799 -4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.953 6.176 -2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.467 5.290 -3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.058 7.000 -0.855 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.532 6.206 -1.190 1.00 0.00 H new ATOM 272 N SER A 18 -10.542 9.954 -4.611 1.00 0.00 N ATOM 273 CA SER A 18 -11.548 10.987 -4.783 1.00 0.00 C ATOM 274 C SER A 18 -12.152 10.901 -6.187 1.00 0.00 C ATOM 275 O SER A 18 -13.364 11.027 -6.353 1.00 0.00 O ATOM 276 CB SER A 18 -10.956 12.377 -4.545 1.00 0.00 C ATOM 277 OG SER A 18 -11.952 13.326 -4.170 1.00 0.00 O ATOM 0 H SER A 18 -10.214 9.528 -5.478 1.00 0.00 H new ATOM 0 HA SER A 18 -12.334 10.825 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.198 12.319 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.454 12.717 -5.451 1.00 0.00 H new ATOM 0 HG SER A 18 -11.533 14.200 -4.026 1.00 0.00 H new ATOM 283 N ASN A 19 -11.279 10.687 -7.160 1.00 0.00 N ATOM 284 CA ASN A 19 -11.711 10.582 -8.543 1.00 0.00 C ATOM 285 C ASN A 19 -11.824 9.106 -8.927 1.00 0.00 C ATOM 286 O ASN A 19 -11.505 8.227 -8.129 1.00 0.00 O ATOM 287 CB ASN A 19 -10.701 11.240 -9.487 1.00 0.00 C ATOM 288 CG ASN A 19 -10.894 12.758 -9.525 1.00 0.00 C ATOM 289 OD1 ASN A 19 -11.784 13.280 -10.175 1.00 0.00 O ATOM 290 ND2 ASN A 19 -10.012 13.433 -8.793 1.00 0.00 N ATOM 0 H ASN A 19 -10.274 10.583 -7.018 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.673 11.086 -8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.687 11.007 -9.161 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.815 10.830 -10.491 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.056 14.451 -8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.292 12.932 -8.273 1.00 0.00 H new ATOM 297 N GLU A 20 -12.281 8.879 -10.150 1.00 0.00 N ATOM 298 CA GLU A 20 -12.441 7.524 -10.650 1.00 0.00 C ATOM 299 C GLU A 20 -11.100 6.981 -11.149 1.00 0.00 C ATOM 300 O GLU A 20 -10.805 5.799 -10.981 1.00 0.00 O ATOM 301 CB GLU A 20 -13.501 7.468 -11.752 1.00 0.00 C ATOM 302 CG GLU A 20 -14.890 7.215 -11.164 1.00 0.00 C ATOM 303 CD GLU A 20 -15.715 8.503 -11.134 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.270 8.847 -12.201 1.00 0.00 O ATOM 305 OE2 GLU A 20 -15.771 9.117 -10.046 1.00 0.00 O ATOM 0 H GLU A 20 -12.546 9.611 -10.809 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.784 6.892 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.503 8.406 -12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.253 6.678 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.408 6.461 -11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.794 6.816 -10.154 1.00 0.00 H new ATOM 312 N GLU A 21 -10.327 7.870 -11.753 1.00 0.00 N ATOM 313 CA GLU A 21 -9.025 7.495 -12.278 1.00 0.00 C ATOM 314 C GLU A 21 -8.194 6.804 -11.194 1.00 0.00 C ATOM 315 O GLU A 21 -7.593 5.758 -11.439 1.00 0.00 O ATOM 316 CB GLU A 21 -8.288 8.712 -12.841 1.00 0.00 C ATOM 317 CG GLU A 21 -6.784 8.447 -12.935 1.00 0.00 C ATOM 318 CD GLU A 21 -6.177 9.159 -14.146 1.00 0.00 C ATOM 319 OE1 GLU A 21 -6.323 8.611 -15.259 1.00 0.00 O ATOM 320 OE2 GLU A 21 -5.581 10.237 -13.930 1.00 0.00 O ATOM 0 H GLU A 21 -10.577 8.849 -11.891 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.175 6.792 -13.097 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.681 8.955 -13.828 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.469 9.578 -12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.293 8.789 -12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.604 7.375 -13.011 1.00 0.00 H new ATOM 327 N GLN A 22 -8.188 7.416 -10.019 1.00 0.00 N ATOM 328 CA GLN A 22 -7.441 6.872 -8.897 1.00 0.00 C ATOM 329 C GLN A 22 -7.964 5.481 -8.535 1.00 0.00 C ATOM 330 O GLN A 22 -7.186 4.588 -8.203 1.00 0.00 O ATOM 331 CB GLN A 22 -7.503 7.811 -7.691 1.00 0.00 C ATOM 332 CG GLN A 22 -6.346 8.814 -7.717 1.00 0.00 C ATOM 333 CD GLN A 22 -6.745 10.092 -8.458 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.003 10.094 -9.650 1.00 0.00 O ATOM 335 NE2 GLN A 22 -6.779 11.175 -7.688 1.00 0.00 N ATOM 0 H GLN A 22 -8.688 8.282 -9.819 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.396 6.780 -9.192 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.453 8.346 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.464 7.229 -6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.049 9.058 -6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.480 8.363 -8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.551 11.103 -6.696 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.033 12.078 -8.089 1.00 0.00 H new ATOM 344 N ILE A 23 -9.280 5.340 -8.613 1.00 0.00 N ATOM 345 CA ILE A 23 -9.915 4.072 -8.297 1.00 0.00 C ATOM 346 C ILE A 23 -9.647 3.076 -9.428 1.00 0.00 C ATOM 347 O ILE A 23 -9.416 1.894 -9.177 1.00 0.00 O ATOM 348 CB ILE A 23 -11.402 4.278 -7.999 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.610 4.787 -6.571 1.00 0.00 C ATOM 350 CG2 ILE A 23 -12.198 3.000 -8.274 1.00 0.00 C ATOM 351 CD1 ILE A 23 -13.078 5.140 -6.323 1.00 0.00 C ATOM 0 H ILE A 23 -9.923 6.082 -8.890 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.487 3.647 -7.389 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.782 5.046 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.290 4.026 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.987 5.665 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.251 3.173 -8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.087 2.721 -9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.823 2.195 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.198 5.499 -5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.388 5.919 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.695 4.254 -6.471 1.00 0.00 H new ATOM 363 N LYS A 24 -9.686 3.592 -10.648 1.00 0.00 N ATOM 364 CA LYS A 24 -9.450 2.762 -11.817 1.00 0.00 C ATOM 365 C LYS A 24 -7.976 2.356 -11.860 1.00 0.00 C ATOM 366 O LYS A 24 -7.600 1.447 -12.598 1.00 0.00 O ATOM 367 CB LYS A 24 -9.929 3.474 -13.085 1.00 0.00 C ATOM 368 CG LYS A 24 -9.158 2.985 -14.312 1.00 0.00 C ATOM 369 CD LYS A 24 -9.675 3.656 -15.587 1.00 0.00 C ATOM 370 CE LYS A 24 -10.674 2.754 -16.314 1.00 0.00 C ATOM 371 NZ LYS A 24 -10.417 2.766 -17.772 1.00 0.00 N ATOM 0 H LYS A 24 -9.877 4.573 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.032 1.843 -11.755 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.995 3.296 -13.226 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.798 4.550 -12.974 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.097 3.200 -14.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.256 1.903 -14.400 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.151 4.604 -15.336 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.838 3.884 -16.247 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.597 1.735 -15.934 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.691 3.093 -16.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.104 2.149 -18.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.513 3.736 -18.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.454 2.421 -17.958 1.00 0.00 H new ATOM 385 N ASN A 25 -7.181 3.049 -11.058 1.00 0.00 N ATOM 386 CA ASN A 25 -5.755 2.771 -10.996 1.00 0.00 C ATOM 387 C ASN A 25 -5.513 1.577 -10.072 1.00 0.00 C ATOM 388 O ASN A 25 -4.869 0.606 -10.464 1.00 0.00 O ATOM 389 CB ASN A 25 -4.986 3.968 -10.433 1.00 0.00 C ATOM 390 CG ASN A 25 -4.529 4.903 -11.555 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.270 4.714 -11.937 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -5.270 5.741 -12.040 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.496 3.802 -10.446 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.407 2.561 -12.007 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.619 4.515 -9.734 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.120 3.617 -9.872 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.227 5.834 -11.700 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.933 6.349 -12.786 1.00 0.00 H new ATOM 399 N LEU A 26 -6.043 1.687 -8.863 1.00 0.00 N ATOM 400 CA LEU A 26 -5.893 0.629 -7.880 1.00 0.00 C ATOM 401 C LEU A 26 -6.259 -0.713 -8.521 1.00 0.00 C ATOM 402 O LEU A 26 -5.407 -1.588 -8.667 1.00 0.00 O ATOM 403 CB LEU A 26 -6.699 0.947 -6.619 1.00 0.00 C ATOM 404 CG LEU A 26 -6.137 0.401 -5.305 1.00 0.00 C ATOM 405 CD1 LEU A 26 -5.422 1.500 -4.517 1.00 0.00 C ATOM 406 CD2 LEU A 26 -7.230 -0.278 -4.480 1.00 0.00 C ATOM 0 H LEU A 26 -6.578 2.494 -8.542 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.855 0.557 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.786 2.030 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.708 0.556 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.394 -0.361 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.032 1.086 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.599 1.897 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.125 2.301 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.803 -0.657 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.014 0.444 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.654 -1.106 -5.049 1.00 0.00 H new ATOM 418 N LEU A 27 -7.527 -0.831 -8.886 1.00 0.00 N ATOM 419 CA LEU A 27 -8.016 -2.049 -9.508 1.00 0.00 C ATOM 420 C LEU A 27 -6.990 -2.542 -10.532 1.00 0.00 C ATOM 421 O LEU A 27 -6.569 -3.696 -10.487 1.00 0.00 O ATOM 422 CB LEU A 27 -9.412 -1.829 -10.094 1.00 0.00 C ATOM 423 CG LEU A 27 -10.584 -2.073 -9.142 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.390 -0.790 -8.924 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.463 -3.223 -9.637 1.00 0.00 C ATOM 0 H LEU A 27 -8.231 -0.103 -8.763 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.129 -2.837 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.474 -0.804 -10.459 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.529 -2.483 -10.958 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.181 -2.369 -8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.217 -0.991 -8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.745 -0.024 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.783 -0.440 -9.879 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.289 -3.375 -8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.859 -2.980 -10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.869 -4.134 -9.699 1.00 0.00 H new ATOM 437 N GLN A 28 -6.618 -1.640 -11.429 1.00 0.00 N ATOM 438 CA GLN A 28 -5.650 -1.969 -12.462 1.00 0.00 C ATOM 439 C GLN A 28 -4.349 -2.469 -11.830 1.00 0.00 C ATOM 440 O GLN A 28 -3.707 -3.376 -12.358 1.00 0.00 O ATOM 441 CB GLN A 28 -5.391 -0.766 -13.372 1.00 0.00 C ATOM 442 CG GLN A 28 -5.071 -1.218 -14.799 1.00 0.00 C ATOM 443 CD GLN A 28 -3.681 -0.742 -15.226 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.196 0.296 -14.807 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.069 -1.557 -16.079 1.00 0.00 N ATOM 0 H GLN A 28 -6.969 -0.683 -11.462 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.062 -2.768 -13.079 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.266 -0.116 -13.380 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.562 -0.179 -12.978 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.122 -2.305 -14.860 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.821 -0.825 -15.486 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.532 -2.411 -16.390 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.136 -1.328 -16.423 1.00 0.00 H new ATOM 454 N LEU A 29 -3.999 -1.855 -10.709 1.00 0.00 N ATOM 455 CA LEU A 29 -2.786 -2.227 -10.001 1.00 0.00 C ATOM 456 C LEU A 29 -2.949 -3.636 -9.425 1.00 0.00 C ATOM 457 O LEU A 29 -2.232 -4.555 -9.815 1.00 0.00 O ATOM 458 CB LEU A 29 -2.434 -1.171 -8.951 1.00 0.00 C ATOM 459 CG LEU A 29 -1.443 -1.605 -7.869 1.00 0.00 C ATOM 460 CD1 LEU A 29 -0.069 -1.903 -8.472 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.365 -0.565 -6.749 1.00 0.00 C ATOM 0 H LEU A 29 -4.534 -1.103 -10.274 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.939 -2.258 -10.686 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.024 -0.301 -9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.355 -0.850 -8.464 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.806 -2.531 -7.424 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.616 -2.209 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.159 -2.705 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.316 -1.008 -8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.654 -0.897 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.037 0.389 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.348 -0.445 -6.295 1.00 0.00 H new ATOM 473 N GLU A 30 -3.895 -3.759 -8.507 1.00 0.00 N ATOM 474 CA GLU A 30 -4.161 -5.040 -7.874 1.00 0.00 C ATOM 475 C GLU A 30 -4.362 -6.124 -8.934 1.00 0.00 C ATOM 476 O GLU A 30 -4.136 -7.305 -8.670 1.00 0.00 O ATOM 477 CB GLU A 30 -5.372 -4.951 -6.944 1.00 0.00 C ATOM 478 CG GLU A 30 -5.243 -5.934 -5.778 1.00 0.00 C ATOM 479 CD GLU A 30 -6.487 -6.817 -5.664 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.523 -6.282 -5.213 1.00 0.00 O ATOM 481 OE2 GLU A 30 -6.374 -8.006 -6.030 1.00 0.00 O ATOM 0 H GLU A 30 -4.487 -2.993 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.297 -5.309 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.465 -3.935 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.282 -5.164 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.361 -6.559 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.097 -5.384 -4.848 1.00 0.00 H new ATOM 488 N ALA A 31 -4.785 -5.685 -10.110 1.00 0.00 N ATOM 489 CA ALA A 31 -5.020 -6.604 -11.211 1.00 0.00 C ATOM 490 C ALA A 31 -3.689 -7.221 -11.647 1.00 0.00 C ATOM 491 O ALA A 31 -3.629 -8.403 -11.983 1.00 0.00 O ATOM 492 CB ALA A 31 -5.721 -5.866 -12.352 1.00 0.00 C ATOM 0 H ALA A 31 -4.971 -4.705 -10.325 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.675 -7.418 -10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.897 -6.556 -13.178 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.674 -5.472 -11.999 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.092 -5.044 -12.694 1.00 0.00 H new ATOM 498 N GLN A 32 -2.655 -6.393 -11.627 1.00 0.00 N ATOM 499 CA GLN A 32 -1.329 -6.843 -12.016 1.00 0.00 C ATOM 500 C GLN A 32 -0.863 -7.976 -11.100 1.00 0.00 C ATOM 501 O GLN A 32 -0.116 -7.744 -10.150 1.00 0.00 O ATOM 502 CB GLN A 32 -0.331 -5.683 -12.004 1.00 0.00 C ATOM 503 CG GLN A 32 -0.308 -4.966 -13.355 1.00 0.00 C ATOM 504 CD GLN A 32 0.292 -5.863 -14.441 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.876 -6.900 -14.173 1.00 0.00 O ATOM 506 NE2 GLN A 32 0.116 -5.407 -15.678 1.00 0.00 N ATOM 0 H GLN A 32 -2.708 -5.413 -11.348 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.381 -7.224 -13.036 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.598 -4.977 -11.218 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.665 -6.058 -11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.321 -4.678 -13.635 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.274 -4.048 -13.274 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.383 -4.531 -15.832 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.480 -5.934 -16.472 1.00 0.00 H new ATOM 515 N GLU A 33 -1.324 -9.178 -11.417 1.00 0.00 N ATOM 516 CA GLU A 33 -0.963 -10.347 -10.634 1.00 0.00 C ATOM 517 C GLU A 33 0.557 -10.429 -10.470 1.00 0.00 C ATOM 518 O GLU A 33 1.247 -10.989 -11.320 1.00 0.00 O ATOM 519 CB GLU A 33 -1.515 -11.624 -11.270 1.00 0.00 C ATOM 520 CG GLU A 33 -2.926 -11.925 -10.761 1.00 0.00 C ATOM 521 CD GLU A 33 -3.067 -13.399 -10.375 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.370 -13.804 -9.420 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.868 -14.087 -11.043 1.00 0.00 O ATOM 0 H GLU A 33 -1.944 -9.367 -12.205 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.410 -10.249 -9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.531 -11.517 -12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.856 -12.462 -11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.147 -11.297 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.655 -11.676 -11.532 1.00 0.00 H new ATOM 530 N HIS A 34 1.032 -9.862 -9.371 1.00 0.00 N ATOM 531 CA HIS A 34 2.457 -9.864 -9.085 1.00 0.00 C ATOM 532 C HIS A 34 2.705 -9.240 -7.710 1.00 0.00 C ATOM 533 O HIS A 34 3.283 -9.878 -6.830 1.00 0.00 O ATOM 534 CB HIS A 34 3.236 -9.166 -10.202 1.00 0.00 C ATOM 535 CG HIS A 34 3.682 -10.091 -11.309 1.00 0.00 C ATOM 536 ND1 HIS A 34 4.258 -11.326 -11.070 1.00 0.00 N ATOM 537 CD2 HIS A 34 3.630 -9.947 -12.665 1.00 0.00 C ATOM 538 CE1 HIS A 34 4.536 -11.891 -12.234 1.00 0.00 C ATOM 539 NE2 HIS A 34 4.147 -11.035 -13.222 1.00 0.00 N ATOM 0 H HIS A 34 0.456 -9.398 -8.668 1.00 0.00 H new ATOM 0 HA HIS A 34 2.824 -10.890 -9.052 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.614 -8.379 -10.628 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.112 -8.681 -9.772 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.235 -9.093 -13.195 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.991 -12.860 -12.377 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.238 -11.203 -14.224 1.00 0.00 H new ATOM 548 N LEU A 35 2.255 -8.002 -7.568 1.00 0.00 N ATOM 549 CA LEU A 35 2.421 -7.285 -6.315 1.00 0.00 C ATOM 550 C LEU A 35 1.663 -8.020 -5.207 1.00 0.00 C ATOM 551 O LEU A 35 2.141 -8.114 -4.078 1.00 0.00 O ATOM 552 CB LEU A 35 2.009 -5.821 -6.476 1.00 0.00 C ATOM 553 CG LEU A 35 2.204 -5.220 -7.869 1.00 0.00 C ATOM 554 CD1 LEU A 35 2.159 -3.691 -7.818 1.00 0.00 C ATOM 555 CD2 LEU A 35 3.494 -5.732 -8.513 1.00 0.00 C ATOM 0 H LEU A 35 1.776 -7.477 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 35 3.471 -7.265 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.957 -5.728 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.576 -5.224 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 35 1.377 -5.547 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.300 -3.289 -8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.193 -3.368 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.952 -3.325 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.608 -5.289 -9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.346 -5.455 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.449 -6.817 -8.605 1.00 0.00 H new ATOM 567 N GLN A 36 0.491 -8.521 -5.571 1.00 0.00 N ATOM 568 CA GLN A 36 -0.340 -9.245 -4.621 1.00 0.00 C ATOM 569 C GLN A 36 -0.828 -8.303 -3.519 1.00 0.00 C ATOM 570 O GLN A 36 -0.630 -8.572 -2.335 1.00 0.00 O ATOM 571 CB GLN A 36 0.415 -10.437 -4.030 1.00 0.00 C ATOM 572 CG GLN A 36 0.197 -11.696 -4.871 1.00 0.00 C ATOM 573 CD GLN A 36 1.525 -12.242 -5.397 1.00 0.00 C ATOM 574 OE1 GLN A 36 1.958 -11.939 -6.496 1.00 0.00 O ATOM 575 NE2 GLN A 36 2.146 -13.061 -4.553 1.00 0.00 N ATOM 0 H GLN A 36 0.097 -8.441 -6.508 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.210 -9.635 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.480 -10.209 -3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.079 -10.615 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.300 -12.457 -4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.463 -11.469 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.728 -13.273 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.041 -13.477 -4.811 1.00 0.00 H new ATOM 584 N LEU A 37 -1.459 -7.219 -3.947 1.00 0.00 N ATOM 585 CA LEU A 37 -1.978 -6.236 -3.012 1.00 0.00 C ATOM 586 C LEU A 37 -3.383 -6.652 -2.570 1.00 0.00 C ATOM 587 O LEU A 37 -4.124 -7.262 -3.339 1.00 0.00 O ATOM 588 CB LEU A 37 -1.913 -4.833 -3.618 1.00 0.00 C ATOM 589 CG LEU A 37 -0.785 -4.587 -4.621 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.308 -4.634 -6.057 1.00 0.00 C ATOM 591 CD2 LEU A 37 -0.058 -3.275 -4.318 1.00 0.00 C ATOM 0 H LEU A 37 -1.622 -7.000 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.359 -6.199 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.863 -4.628 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.814 -4.112 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.056 -5.390 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.486 -4.456 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.743 -5.614 -6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.069 -3.866 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.739 -3.124 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.764 -2.446 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.369 -3.319 -3.316 1.00 0.00 H new ATOM 603 N ASP A 38 -3.707 -6.303 -1.334 1.00 0.00 N ATOM 604 CA ASP A 38 -5.010 -6.632 -0.780 1.00 0.00 C ATOM 605 C ASP A 38 -5.479 -5.490 0.122 1.00 0.00 C ATOM 606 O ASP A 38 -4.942 -5.294 1.212 1.00 0.00 O ATOM 607 CB ASP A 38 -4.944 -7.907 0.064 1.00 0.00 C ATOM 608 CG ASP A 38 -6.233 -8.730 0.092 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.918 -8.748 -0.952 1.00 0.00 O ATOM 610 OD2 ASP A 38 -6.503 -9.325 1.158 1.00 0.00 O ATOM 0 H ASP A 38 -3.090 -5.796 -0.700 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.700 -6.785 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.138 -8.535 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.682 -7.635 1.086 1.00 0.00 H new ATOM 615 N PHE A 39 -6.475 -4.765 -0.364 1.00 0.00 N ATOM 616 CA PHE A 39 -7.022 -3.647 0.386 1.00 0.00 C ATOM 617 C PHE A 39 -8.157 -4.106 1.303 1.00 0.00 C ATOM 618 O PHE A 39 -9.186 -4.587 0.831 1.00 0.00 O ATOM 619 CB PHE A 39 -7.579 -2.653 -0.636 1.00 0.00 C ATOM 620 CG PHE A 39 -6.804 -2.617 -1.955 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.753 -1.767 -2.103 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.167 -3.435 -2.979 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.034 -1.734 -3.328 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.448 -3.401 -4.203 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.397 -2.552 -4.351 1.00 0.00 C ATOM 0 H PHE A 39 -6.918 -4.930 -1.268 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.246 -3.200 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.619 -2.906 -0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.575 -1.655 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.465 -1.117 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.002 -4.110 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.199 -1.059 -3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.736 -4.050 -5.017 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.850 -2.527 -5.282 1.00 0.00 H new ATOM 635 N TRP A 40 -7.932 -3.940 2.599 1.00 0.00 N ATOM 636 CA TRP A 40 -8.923 -4.331 3.587 1.00 0.00 C ATOM 637 C TRP A 40 -10.268 -3.734 3.169 1.00 0.00 C ATOM 638 O TRP A 40 -11.267 -4.445 3.082 1.00 0.00 O ATOM 639 CB TRP A 40 -8.491 -3.909 4.993 1.00 0.00 C ATOM 640 CG TRP A 40 -7.177 -4.540 5.456 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.511 -5.561 4.899 1.00 0.00 C ATOM 642 CD2 TRP A 40 -6.393 -4.150 6.602 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.359 -5.855 5.600 1.00 0.00 N ATOM 644 CE2 TRP A 40 -5.285 -4.969 6.669 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.612 -3.136 7.552 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -4.309 -4.861 7.667 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.628 -3.040 8.543 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.506 -3.858 8.624 1.00 0.00 C ATOM 0 H TRP A 40 -7.078 -3.540 2.987 1.00 0.00 H new ATOM 0 HA TRP A 40 -9.022 -5.416 3.627 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.391 -2.824 5.021 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -9.278 -4.174 5.699 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.835 -6.087 4.013 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.686 -6.588 5.375 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.472 -2.483 7.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.451 -5.516 7.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.749 -2.277 9.298 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.790 -3.720 9.421 1.00 0.00 H new ATOM 659 N LYS A 41 -10.250 -2.432 2.922 1.00 0.00 N ATOM 660 CA LYS A 41 -11.456 -1.731 2.517 1.00 0.00 C ATOM 661 C LYS A 41 -11.220 -1.062 1.161 1.00 0.00 C ATOM 662 O LYS A 41 -10.983 0.143 1.092 1.00 0.00 O ATOM 663 CB LYS A 41 -11.905 -0.759 3.611 1.00 0.00 C ATOM 664 CG LYS A 41 -13.350 -0.309 3.385 1.00 0.00 C ATOM 665 CD LYS A 41 -13.744 0.785 4.380 1.00 0.00 C ATOM 666 CE LYS A 41 -15.074 1.430 3.985 1.00 0.00 C ATOM 667 NZ LYS A 41 -16.197 0.786 4.704 1.00 0.00 N ATOM 0 H LYS A 41 -9.419 -1.845 2.995 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.280 -2.433 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.818 -1.238 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.247 0.110 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.464 0.062 2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.021 -1.161 3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.824 0.360 5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.964 1.545 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.051 2.495 4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.224 1.339 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.092 1.236 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.228 -0.226 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.061 0.895 5.729 1.00 0.00 H new ATOM 681 N SER A 42 -11.293 -1.873 0.117 1.00 0.00 N ATOM 682 CA SER A 42 -11.090 -1.376 -1.234 1.00 0.00 C ATOM 683 C SER A 42 -11.711 0.015 -1.377 1.00 0.00 C ATOM 684 O SER A 42 -12.776 0.283 -0.826 1.00 0.00 O ATOM 685 CB SER A 42 -11.688 -2.333 -2.268 1.00 0.00 C ATOM 686 OG SER A 42 -13.101 -2.452 -2.132 1.00 0.00 O ATOM 0 H SER A 42 -11.490 -2.872 0.179 1.00 0.00 H new ATOM 0 HA SER A 42 -10.018 -1.310 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.449 -1.978 -3.271 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.229 -3.316 -2.160 1.00 0.00 H new ATOM 0 HG SER A 42 -13.444 -3.070 -2.811 1.00 0.00 H new ATOM 692 N PRO A 43 -10.998 0.886 -2.141 1.00 0.00 N ATOM 693 CA PRO A 43 -11.466 2.243 -2.363 1.00 0.00 C ATOM 694 C PRO A 43 -12.627 2.266 -3.360 1.00 0.00 C ATOM 695 O PRO A 43 -12.571 2.970 -4.367 1.00 0.00 O ATOM 696 CB PRO A 43 -10.246 3.005 -2.855 1.00 0.00 C ATOM 697 CG PRO A 43 -9.260 1.950 -3.332 1.00 0.00 C ATOM 698 CD PRO A 43 -9.731 0.603 -2.810 1.00 0.00 C ATOM 0 HA PRO A 43 -11.868 2.702 -1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.511 3.686 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.815 3.610 -2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.208 1.941 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.257 2.172 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.863 -0.112 -3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.007 0.171 -2.120 1.00 0.00 H new ATOM 706 N THR A 44 -13.651 1.485 -3.045 1.00 0.00 N ATOM 707 CA THR A 44 -14.823 1.407 -3.901 1.00 0.00 C ATOM 708 C THR A 44 -15.334 2.810 -4.234 1.00 0.00 C ATOM 709 O THR A 44 -15.390 3.193 -5.402 1.00 0.00 O ATOM 710 CB THR A 44 -15.863 0.532 -3.198 1.00 0.00 C ATOM 711 OG1 THR A 44 -15.578 -0.785 -3.662 1.00 0.00 O ATOM 712 CG2 THR A 44 -17.285 0.802 -3.692 1.00 0.00 C ATOM 0 H THR A 44 -13.693 0.901 -2.210 1.00 0.00 H new ATOM 0 HA THR A 44 -14.584 0.947 -4.860 1.00 0.00 H new ATOM 0 HB THR A 44 -15.814 0.703 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.819 -1.151 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.984 0.155 -3.161 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.543 1.845 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.343 0.599 -4.761 1.00 0.00 H new ATOM 720 N THR A 45 -15.695 3.538 -3.187 1.00 0.00 N ATOM 721 CA THR A 45 -16.200 4.890 -3.354 1.00 0.00 C ATOM 722 C THR A 45 -15.059 5.903 -3.244 1.00 0.00 C ATOM 723 O THR A 45 -13.964 5.565 -2.794 1.00 0.00 O ATOM 724 CB THR A 45 -17.310 5.110 -2.324 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.612 5.452 -1.130 1.00 0.00 O ATOM 726 CG2 THR A 45 -18.046 3.816 -1.970 1.00 0.00 C ATOM 0 H THR A 45 -15.648 3.217 -2.220 1.00 0.00 H new ATOM 0 HA THR A 45 -16.625 5.034 -4.347 1.00 0.00 H new ATOM 0 HB THR A 45 -18.024 5.838 -2.709 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.256 5.613 -0.409 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.823 4.029 -1.236 1.00 0.00 H new ATOM 0 HG22 THR A 45 -18.500 3.398 -2.868 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.340 3.098 -1.553 1.00 0.00 H new ATOM 734 N PRO A 46 -15.360 7.158 -3.674 1.00 0.00 N ATOM 735 CA PRO A 46 -14.372 8.222 -3.627 1.00 0.00 C ATOM 736 C PRO A 46 -14.173 8.723 -2.195 1.00 0.00 C ATOM 737 O PRO A 46 -15.141 9.002 -1.490 1.00 0.00 O ATOM 738 CB PRO A 46 -14.907 9.295 -4.562 1.00 0.00 C ATOM 739 CG PRO A 46 -16.388 8.998 -4.735 1.00 0.00 C ATOM 740 CD PRO A 46 -16.645 7.594 -4.211 1.00 0.00 C ATOM 0 HA PRO A 46 -13.383 7.892 -3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.755 10.290 -4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.389 9.271 -5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.990 9.725 -4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.672 9.072 -5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.417 7.594 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.988 6.931 -5.006 1.00 0.00 H new ATOM 748 N GLY A 47 -12.909 8.822 -1.808 1.00 0.00 N ATOM 749 CA GLY A 47 -12.570 9.284 -0.473 1.00 0.00 C ATOM 750 C GLY A 47 -12.329 8.104 0.470 1.00 0.00 C ATOM 751 O GLY A 47 -11.448 8.161 1.327 1.00 0.00 O ATOM 0 H GLY A 47 -12.108 8.590 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.677 9.908 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.376 9.906 -0.084 1.00 0.00 H new ATOM 755 N GLU A 48 -13.127 7.065 0.282 1.00 0.00 N ATOM 756 CA GLU A 48 -13.013 5.873 1.105 1.00 0.00 C ATOM 757 C GLU A 48 -11.541 5.550 1.369 1.00 0.00 C ATOM 758 O GLU A 48 -10.765 5.364 0.432 1.00 0.00 O ATOM 759 CB GLU A 48 -13.727 4.686 0.456 1.00 0.00 C ATOM 760 CG GLU A 48 -14.285 3.735 1.516 1.00 0.00 C ATOM 761 CD GLU A 48 -13.664 2.343 1.387 1.00 0.00 C ATOM 762 OE1 GLU A 48 -12.492 2.204 1.799 1.00 0.00 O ATOM 763 OE2 GLU A 48 -14.375 1.450 0.879 1.00 0.00 O ATOM 0 H GLU A 48 -13.857 7.023 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.500 6.068 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.538 5.047 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.033 4.149 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.085 4.135 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.368 3.665 1.413 1.00 0.00 H new ATOM 770 N THR A 49 -11.199 5.493 2.648 1.00 0.00 N ATOM 771 CA THR A 49 -9.834 5.196 3.046 1.00 0.00 C ATOM 772 C THR A 49 -9.523 3.715 2.821 1.00 0.00 C ATOM 773 O THR A 49 -10.364 2.854 3.080 1.00 0.00 O ATOM 774 CB THR A 49 -9.658 5.639 4.500 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.868 5.235 5.135 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.650 7.162 4.651 1.00 0.00 C ATOM 0 H THR A 49 -11.845 5.648 3.422 1.00 0.00 H new ATOM 0 HA THR A 49 -9.116 5.743 2.435 1.00 0.00 H new ATOM 0 HB THR A 49 -8.728 5.230 4.894 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.838 5.482 6.083 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.522 7.423 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.828 7.581 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.594 7.569 4.288 1.00 0.00 H new ATOM 784 N ALA A 50 -8.314 3.462 2.342 1.00 0.00 N ATOM 785 CA ALA A 50 -7.883 2.101 2.079 1.00 0.00 C ATOM 786 C ALA A 50 -6.588 1.823 2.848 1.00 0.00 C ATOM 787 O ALA A 50 -5.830 2.744 3.146 1.00 0.00 O ATOM 788 CB ALA A 50 -7.720 1.898 0.571 1.00 0.00 C ATOM 0 H ALA A 50 -7.619 4.178 2.129 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.632 1.388 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.396 0.876 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.673 2.079 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.974 2.595 0.189 1.00 0.00 H new ATOM 794 N HIS A 51 -6.376 0.550 3.146 1.00 0.00 N ATOM 795 CA HIS A 51 -5.187 0.140 3.874 1.00 0.00 C ATOM 796 C HIS A 51 -4.768 -1.261 3.423 1.00 0.00 C ATOM 797 O HIS A 51 -5.294 -2.258 3.913 1.00 0.00 O ATOM 798 CB HIS A 51 -5.416 0.232 5.383 1.00 0.00 C ATOM 799 CG HIS A 51 -6.413 1.292 5.790 1.00 0.00 C ATOM 800 ND1 HIS A 51 -6.369 2.649 5.670 1.00 0.00 N flip ATOM 801 CD2 HIS A 51 -7.618 0.992 6.399 1.00 0.00 C flip ATOM 802 CE1 HIS A 51 -7.489 3.152 6.176 1.00 0.00 C flip ATOM 803 NE2 HIS A 51 -8.264 2.126 6.629 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.007 -0.211 2.897 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.365 0.819 3.648 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.761 -0.736 5.747 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.464 0.436 5.873 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.605 3.187 5.261 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.972 0.002 6.645 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.744 4.201 6.221 1.00 0.00 H new ATOM 812 N VAL A 52 -3.824 -1.290 2.494 1.00 0.00 N ATOM 813 CA VAL A 52 -3.327 -2.551 1.971 1.00 0.00 C ATOM 814 C VAL A 52 -1.899 -2.779 2.473 1.00 0.00 C ATOM 815 O VAL A 52 -1.144 -1.826 2.662 1.00 0.00 O ATOM 816 CB VAL A 52 -3.433 -2.563 0.444 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.231 -1.160 -0.131 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.441 -3.555 -0.166 1.00 0.00 C ATOM 0 H VAL A 52 -3.390 -0.460 2.090 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.935 -3.380 2.332 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.439 -2.890 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.311 -1.197 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.994 -0.491 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.244 -0.791 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.537 -3.544 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.426 -3.272 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.653 -4.557 0.207 1.00 0.00 H new ATOM 828 N ARG A 53 -1.572 -4.047 2.674 1.00 0.00 N ATOM 829 CA ARG A 53 -0.249 -4.412 3.149 1.00 0.00 C ATOM 830 C ARG A 53 0.702 -4.617 1.968 1.00 0.00 C ATOM 831 O ARG A 53 0.914 -5.744 1.525 1.00 0.00 O ATOM 832 CB ARG A 53 -0.298 -5.694 3.984 1.00 0.00 C ATOM 833 CG ARG A 53 -1.137 -6.768 3.289 1.00 0.00 C ATOM 834 CD ARG A 53 -0.522 -8.156 3.486 1.00 0.00 C ATOM 835 NE ARG A 53 -0.546 -8.906 2.210 1.00 0.00 N ATOM 836 CZ ARG A 53 -0.245 -10.207 2.097 1.00 0.00 C ATOM 837 NH1 ARG A 53 0.106 -10.910 3.183 1.00 0.00 N ATOM 838 NH2 ARG A 53 -0.294 -10.805 0.899 1.00 0.00 N ATOM 0 H ARG A 53 -2.201 -4.834 2.516 1.00 0.00 H new ATOM 0 HA ARG A 53 0.115 -3.597 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.714 -6.066 4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.719 -5.477 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.152 -6.756 3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.209 -6.546 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.504 -8.061 3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.075 -8.703 4.249 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.808 -8.401 1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.144 -10.455 4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.335 -11.900 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.560 -10.270 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.065 -11.795 0.814 1.00 0.00 H new ATOM 852 N VAL A 54 1.250 -3.509 1.491 1.00 0.00 N ATOM 853 CA VAL A 54 2.173 -3.552 0.371 1.00 0.00 C ATOM 854 C VAL A 54 3.583 -3.846 0.888 1.00 0.00 C ATOM 855 O VAL A 54 3.946 -3.425 1.985 1.00 0.00 O ATOM 856 CB VAL A 54 2.089 -2.250 -0.427 1.00 0.00 C ATOM 857 CG1 VAL A 54 3.094 -1.221 0.095 1.00 0.00 C ATOM 858 CG2 VAL A 54 2.295 -2.508 -1.921 1.00 0.00 C ATOM 0 H VAL A 54 1.072 -2.575 1.861 1.00 0.00 H new ATOM 0 HA VAL A 54 1.904 -4.356 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 54 1.088 -1.839 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.013 -0.305 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.882 -1.003 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.104 -1.621 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.230 -1.566 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.277 -2.953 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.525 -3.189 -2.282 1.00 0.00 H new ATOM 868 N PRO A 55 4.359 -4.586 0.051 1.00 0.00 N ATOM 869 CA PRO A 55 5.720 -4.942 0.413 1.00 0.00 C ATOM 870 C PRO A 55 6.656 -3.740 0.273 1.00 0.00 C ATOM 871 O PRO A 55 6.617 -3.031 -0.731 1.00 0.00 O ATOM 872 CB PRO A 55 6.086 -6.090 -0.513 1.00 0.00 C ATOM 873 CG PRO A 55 5.096 -6.029 -1.664 1.00 0.00 C ATOM 874 CD PRO A 55 3.963 -5.102 -1.255 1.00 0.00 C ATOM 0 HA PRO A 55 5.813 -5.244 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.110 -5.990 -0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.023 -7.046 0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.583 -5.661 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.712 -7.024 -1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.832 -4.295 -1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.015 -5.637 -1.199 1.00 0.00 H new ATOM 882 N PHE A 56 7.476 -3.547 1.296 1.00 0.00 N ATOM 883 CA PHE A 56 8.421 -2.442 1.300 1.00 0.00 C ATOM 884 C PHE A 56 9.197 -2.379 -0.018 1.00 0.00 C ATOM 885 O PHE A 56 9.483 -1.294 -0.522 1.00 0.00 O ATOM 886 CB PHE A 56 9.403 -2.697 2.445 1.00 0.00 C ATOM 887 CG PHE A 56 10.062 -1.431 2.994 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.329 -0.544 3.719 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.379 -1.191 2.757 1.00 0.00 C ATOM 890 CE1 PHE A 56 9.940 0.632 4.230 1.00 0.00 C ATOM 891 CE2 PHE A 56 11.990 -0.015 3.267 1.00 0.00 C ATOM 892 CZ PHE A 56 11.258 0.872 3.992 1.00 0.00 C ATOM 0 H PHE A 56 7.506 -4.137 2.128 1.00 0.00 H new ATOM 0 HA PHE A 56 7.889 -1.498 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.877 -3.201 3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.181 -3.378 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.282 -0.734 3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.961 -1.895 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.359 1.336 4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.036 0.175 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.723 1.767 4.379 1.00 0.00 H new ATOM 902 N VAL A 57 9.513 -3.556 -0.538 1.00 0.00 N ATOM 903 CA VAL A 57 10.250 -3.648 -1.787 1.00 0.00 C ATOM 904 C VAL A 57 9.392 -3.089 -2.923 1.00 0.00 C ATOM 905 O VAL A 57 9.915 -2.689 -3.962 1.00 0.00 O ATOM 906 CB VAL A 57 10.692 -5.093 -2.027 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.539 -6.068 -1.781 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.262 -5.264 -3.437 1.00 0.00 C ATOM 0 H VAL A 57 9.272 -4.454 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 57 11.158 -3.047 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 57 11.483 -5.324 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.881 -7.088 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.197 -5.974 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.717 -5.838 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.569 -6.300 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.500 -5.005 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.124 -4.609 -3.563 1.00 0.00 H new ATOM 918 N ASN A 58 8.088 -3.076 -2.685 1.00 0.00 N ATOM 919 CA ASN A 58 7.152 -2.572 -3.676 1.00 0.00 C ATOM 920 C ASN A 58 6.635 -1.203 -3.232 1.00 0.00 C ATOM 921 O ASN A 58 6.120 -0.435 -4.044 1.00 0.00 O ATOM 922 CB ASN A 58 5.949 -3.506 -3.824 1.00 0.00 C ATOM 923 CG ASN A 58 4.973 -2.981 -4.878 1.00 0.00 C ATOM 924 OD1 ASN A 58 5.349 -2.336 -5.843 1.00 0.00 O ATOM 925 ND2 ASN A 58 3.702 -3.291 -4.642 1.00 0.00 N ATOM 0 H ASN A 58 7.658 -3.406 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 58 7.675 -2.504 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.290 -4.503 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.438 -3.601 -2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.974 -2.986 -5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.455 -3.834 -3.815 1.00 0.00 H new ATOM 932 N VAL A 59 6.790 -0.937 -1.943 1.00 0.00 N ATOM 933 CA VAL A 59 6.345 0.327 -1.381 1.00 0.00 C ATOM 934 C VAL A 59 6.781 1.470 -2.299 1.00 0.00 C ATOM 935 O VAL A 59 6.038 2.431 -2.496 1.00 0.00 O ATOM 936 CB VAL A 59 6.869 0.477 0.050 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.095 1.949 0.399 1.00 0.00 C ATOM 938 CG2 VAL A 59 5.922 -0.185 1.052 1.00 0.00 C ATOM 0 H VAL A 59 7.217 -1.575 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 59 5.257 0.356 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 59 7.830 -0.033 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.467 2.028 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.825 2.378 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.154 2.492 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.317 -0.064 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.940 0.283 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.833 -1.247 0.822 1.00 0.00 H new ATOM 948 N GLN A 60 7.984 1.330 -2.836 1.00 0.00 N ATOM 949 CA GLN A 60 8.527 2.340 -3.730 1.00 0.00 C ATOM 950 C GLN A 60 7.697 2.414 -5.013 1.00 0.00 C ATOM 951 O GLN A 60 7.005 3.403 -5.252 1.00 0.00 O ATOM 952 CB GLN A 60 9.998 2.059 -4.044 1.00 0.00 C ATOM 953 CG GLN A 60 10.721 3.339 -4.470 1.00 0.00 C ATOM 954 CD GLN A 60 12.062 3.478 -3.745 1.00 0.00 C ATOM 955 OE1 GLN A 60 12.213 3.116 -2.590 1.00 0.00 O ATOM 956 NE2 GLN A 60 13.023 4.022 -4.486 1.00 0.00 N ATOM 0 H GLN A 60 8.598 0.533 -2.670 1.00 0.00 H new ATOM 0 HA GLN A 60 8.474 3.307 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.487 1.636 -3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.069 1.315 -4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.885 3.327 -5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.095 4.204 -4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.829 4.303 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.954 4.158 -4.093 1.00 0.00 H new ATOM 965 N ALA A 61 7.794 1.357 -5.805 1.00 0.00 N ATOM 966 CA ALA A 61 7.062 1.291 -7.058 1.00 0.00 C ATOM 967 C ALA A 61 5.623 1.757 -6.827 1.00 0.00 C ATOM 968 O ALA A 61 5.010 2.354 -7.711 1.00 0.00 O ATOM 969 CB ALA A 61 7.131 -0.133 -7.616 1.00 0.00 C ATOM 0 H ALA A 61 8.369 0.539 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 61 7.509 1.953 -7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.582 -0.182 -8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.172 -0.406 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.688 -0.826 -6.900 1.00 0.00 H new ATOM 975 N VAL A 62 5.124 1.467 -5.635 1.00 0.00 N ATOM 976 CA VAL A 62 3.769 1.849 -5.276 1.00 0.00 C ATOM 977 C VAL A 62 3.721 3.355 -5.012 1.00 0.00 C ATOM 978 O VAL A 62 2.792 4.037 -5.444 1.00 0.00 O ATOM 979 CB VAL A 62 3.288 1.017 -4.086 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.812 1.288 -3.789 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.537 -0.474 -4.322 1.00 0.00 C ATOM 0 H VAL A 62 5.634 0.971 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 62 3.084 1.642 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 62 3.866 1.317 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.495 0.684 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.676 2.344 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.212 1.029 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.186 -1.042 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.999 -0.796 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.604 -0.647 -4.460 1.00 0.00 H new ATOM 991 N LYS A 63 4.734 3.831 -4.302 1.00 0.00 N ATOM 992 CA LYS A 63 4.820 5.244 -3.975 1.00 0.00 C ATOM 993 C LYS A 63 4.827 6.064 -5.267 1.00 0.00 C ATOM 994 O LYS A 63 4.299 7.173 -5.306 1.00 0.00 O ATOM 995 CB LYS A 63 6.023 5.513 -3.069 1.00 0.00 C ATOM 996 CG LYS A 63 5.639 5.382 -1.594 1.00 0.00 C ATOM 997 CD LYS A 63 6.075 6.616 -0.802 1.00 0.00 C ATOM 998 CE LYS A 63 5.852 6.412 0.697 1.00 0.00 C ATOM 999 NZ LYS A 63 6.828 7.204 1.478 1.00 0.00 N ATOM 0 H LYS A 63 5.502 3.263 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 63 3.945 5.556 -3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.824 4.811 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.410 6.514 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.560 5.251 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.104 4.491 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.129 6.821 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.515 7.487 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.838 6.709 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.951 5.355 0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.399 6.566 2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.451 7.725 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.321 7.878 2.087 1.00 0.00 H new ATOM 1013 N VAL A 64 5.432 5.484 -6.294 1.00 0.00 N ATOM 1014 CA VAL A 64 5.516 6.146 -7.585 1.00 0.00 C ATOM 1015 C VAL A 64 4.165 6.042 -8.295 1.00 0.00 C ATOM 1016 O VAL A 64 3.763 6.959 -9.008 1.00 0.00 O ATOM 1017 CB VAL A 64 6.668 5.557 -8.401 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.502 5.872 -9.890 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.018 6.054 -7.883 1.00 0.00 C ATOM 0 H VAL A 64 5.869 4.563 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 64 5.735 7.206 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 64 6.643 4.474 -8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.334 5.442 -10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.565 5.446 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.488 6.952 -10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.819 5.620 -8.481 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.058 7.141 -7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.140 5.756 -6.842 1.00 0.00 H new ATOM 1029 N PHE A 65 3.502 4.916 -8.075 1.00 0.00 N ATOM 1030 CA PHE A 65 2.205 4.680 -8.684 1.00 0.00 C ATOM 1031 C PHE A 65 1.171 5.690 -8.184 1.00 0.00 C ATOM 1032 O PHE A 65 0.545 6.390 -8.978 1.00 0.00 O ATOM 1033 CB PHE A 65 1.766 3.274 -8.273 1.00 0.00 C ATOM 1034 CG PHE A 65 0.563 2.742 -9.056 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.699 2.406 -10.367 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.642 2.607 -8.441 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.417 1.915 -11.093 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.758 2.114 -9.167 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.622 1.779 -10.478 1.00 0.00 C ATOM 0 H PHE A 65 3.839 4.157 -7.483 1.00 0.00 H new ATOM 0 HA PHE A 65 2.280 4.783 -9.767 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.604 2.590 -8.406 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.522 3.277 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.656 2.513 -10.855 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.750 2.875 -7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.309 1.649 -12.134 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.715 2.005 -8.678 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.471 1.405 -11.031 1.00 0.00 H new ATOM 1049 N LEU A 66 1.024 5.735 -6.868 1.00 0.00 N ATOM 1050 CA LEU A 66 0.077 6.648 -6.251 1.00 0.00 C ATOM 1051 C LEU A 66 0.246 8.041 -6.860 1.00 0.00 C ATOM 1052 O LEU A 66 -0.706 8.611 -7.390 1.00 0.00 O ATOM 1053 CB LEU A 66 0.221 6.621 -4.728 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.332 5.382 -4.023 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.673 4.833 -3.009 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.691 5.677 -3.382 1.00 0.00 C ATOM 0 H LEU A 66 1.545 5.154 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.946 6.332 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.279 6.713 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.279 7.500 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.490 4.605 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.254 3.952 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.595 4.560 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.887 5.595 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.062 4.780 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.582 6.477 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.398 5.985 -4.153 1.00 0.00 H new ATOM 1068 N GLU A 67 1.467 8.548 -6.765 1.00 0.00 N ATOM 1069 CA GLU A 67 1.774 9.864 -7.302 1.00 0.00 C ATOM 1070 C GLU A 67 1.383 9.940 -8.779 1.00 0.00 C ATOM 1071 O GLU A 67 0.755 10.905 -9.209 1.00 0.00 O ATOM 1072 CB GLU A 67 3.253 10.203 -7.108 1.00 0.00 C ATOM 1073 CG GLU A 67 3.481 10.922 -5.776 1.00 0.00 C ATOM 1074 CD GLU A 67 3.570 12.436 -5.979 1.00 0.00 C ATOM 1075 OE1 GLU A 67 2.533 13.019 -6.361 1.00 0.00 O ATOM 1076 OE2 GLU A 67 4.674 12.975 -5.748 1.00 0.00 O ATOM 0 H GLU A 67 2.255 8.072 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 67 1.190 10.604 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.846 9.289 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.596 10.833 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.666 10.691 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.399 10.559 -5.315 1.00 0.00 H new ATOM 1083 N SER A 68 1.772 8.908 -9.514 1.00 0.00 N ATOM 1084 CA SER A 68 1.470 8.846 -10.934 1.00 0.00 C ATOM 1085 C SER A 68 -0.033 9.025 -11.158 1.00 0.00 C ATOM 1086 O SER A 68 -0.448 9.742 -12.067 1.00 0.00 O ATOM 1087 CB SER A 68 1.943 7.523 -11.541 1.00 0.00 C ATOM 1088 OG SER A 68 0.936 6.517 -11.480 1.00 0.00 O ATOM 0 H SER A 68 2.293 8.109 -9.153 1.00 0.00 H new ATOM 0 HA SER A 68 2.004 9.655 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.232 7.684 -12.580 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.832 7.179 -11.012 1.00 0.00 H new ATOM 0 HG SER A 68 0.920 6.124 -10.582 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.808 8.359 -10.314 1.00 0.00 N ATOM 1095 CA GLN A 69 -2.255 8.435 -10.408 1.00 0.00 C ATOM 1096 C GLN A 69 -2.769 9.687 -9.693 1.00 0.00 C ATOM 1097 O GLN A 69 -3.965 9.813 -9.437 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.909 7.173 -9.843 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.536 6.975 -8.372 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.331 5.821 -7.755 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -4.542 5.874 -7.614 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -2.584 4.780 -7.399 1.00 0.00 N ATOM 0 H GLN A 69 -0.460 7.764 -9.562 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.527 8.504 -11.461 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.992 7.245 -9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.594 6.305 -10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.468 6.772 -8.288 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.730 7.893 -7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.575 4.802 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.020 3.959 -6.979 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.839 10.579 -9.389 1.00 0.00 N ATOM 1112 CA GLY A 70 -2.182 11.816 -8.708 1.00 0.00 C ATOM 1113 C GLY A 70 -3.142 11.553 -7.547 1.00 0.00 C ATOM 1114 O GLY A 70 -4.206 12.165 -7.466 1.00 0.00 O ATOM 0 H GLY A 70 -0.847 10.470 -9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.276 12.293 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.640 12.509 -9.414 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.732 10.643 -6.676 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.543 10.292 -5.522 1.00 0.00 C ATOM 1120 C ILE A 71 -2.857 10.794 -4.250 1.00 0.00 C ATOM 1121 O ILE A 71 -1.746 11.318 -4.306 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.837 8.791 -5.510 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -5.007 8.468 -4.578 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.583 7.989 -5.156 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.760 7.223 -5.053 1.00 0.00 C ATOM 0 H ILE A 71 -1.849 10.138 -6.746 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.515 10.783 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.136 8.494 -6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.637 8.309 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.690 9.317 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.820 6.925 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.805 8.186 -5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.230 8.283 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.586 7.016 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.150 7.394 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.081 6.371 -5.069 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.549 10.617 -3.134 1.00 0.00 N ATOM 1138 CA ALA A 72 -3.020 11.045 -1.850 1.00 0.00 C ATOM 1139 C ALA A 72 -3.068 9.874 -0.867 1.00 0.00 C ATOM 1140 O ALA A 72 -4.139 9.339 -0.585 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.809 12.258 -1.352 1.00 0.00 C ATOM 0 H ALA A 72 -4.471 10.183 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.978 11.351 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.413 12.579 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.718 13.072 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.859 11.988 -1.240 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.895 9.510 -0.371 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.790 8.413 0.575 1.00 0.00 C ATOM 1149 C TYR A 73 -0.925 8.804 1.775 1.00 0.00 C ATOM 1150 O TYR A 73 -0.589 9.974 1.947 1.00 0.00 O ATOM 1151 CB TYR A 73 -1.108 7.269 -0.180 1.00 0.00 C ATOM 1152 CG TYR A 73 0.079 7.710 -1.037 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.129 8.501 -2.150 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.358 7.319 -0.698 1.00 0.00 C ATOM 1155 CE1 TYR A 73 0.989 8.916 -2.957 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.476 7.735 -1.505 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.236 8.513 -2.596 1.00 0.00 C ATOM 1158 OH TYR A 73 3.292 8.905 -3.357 1.00 0.00 O ATOM 0 H TYR A 73 -1.008 9.956 -0.607 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.774 8.136 0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.767 6.525 0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.843 6.780 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.130 8.808 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.521 6.701 0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.840 9.534 -3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.482 7.436 -1.250 1.00 0.00 H new ATOM 0 HH TYR A 73 3.514 8.198 -3.998 1.00 0.00 H new ATOM 1168 N SER A 74 -0.588 7.801 2.573 1.00 0.00 N ATOM 1169 CA SER A 74 0.232 8.025 3.751 1.00 0.00 C ATOM 1170 C SER A 74 0.705 6.686 4.321 1.00 0.00 C ATOM 1171 O SER A 74 0.218 5.630 3.921 1.00 0.00 O ATOM 1172 CB SER A 74 -0.536 8.813 4.814 1.00 0.00 C ATOM 1173 OG SER A 74 -0.354 10.219 4.672 1.00 0.00 O ATOM 0 H SER A 74 -0.868 6.831 2.427 1.00 0.00 H new ATOM 0 HA SER A 74 1.100 8.615 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.598 8.576 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.205 8.503 5.805 1.00 0.00 H new ATOM 0 HG SER A 74 -0.390 10.459 3.723 1.00 0.00 H new ATOM 1179 N ILE A 75 1.648 6.775 5.248 1.00 0.00 N ATOM 1180 CA ILE A 75 2.193 5.584 5.877 1.00 0.00 C ATOM 1181 C ILE A 75 1.520 5.377 7.235 1.00 0.00 C ATOM 1182 O ILE A 75 1.439 6.303 8.040 1.00 0.00 O ATOM 1183 CB ILE A 75 3.719 5.668 5.955 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.336 5.724 4.556 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.291 4.520 6.787 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.562 6.640 4.533 1.00 0.00 C ATOM 0 H ILE A 75 2.048 7.653 5.578 1.00 0.00 H new ATOM 0 HA ILE A 75 1.976 4.702 5.274 1.00 0.00 H new ATOM 0 HB ILE A 75 3.984 6.595 6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.621 4.721 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.595 6.084 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.377 4.605 6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.887 4.567 7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.017 3.569 6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.981 6.662 3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.269 7.648 4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.311 6.263 5.230 1.00 0.00 H new ATOM 1198 N MET A 76 1.053 4.155 7.448 1.00 0.00 N ATOM 1199 CA MET A 76 0.389 3.815 8.695 1.00 0.00 C ATOM 1200 C MET A 76 1.360 3.144 9.669 1.00 0.00 C ATOM 1201 O MET A 76 1.626 3.671 10.748 1.00 0.00 O ATOM 1202 CB MET A 76 -0.780 2.869 8.409 1.00 0.00 C ATOM 1203 CG MET A 76 -1.879 3.022 9.463 1.00 0.00 C ATOM 1204 SD MET A 76 -2.752 4.560 9.216 1.00 0.00 S ATOM 1205 CE MET A 76 -4.182 4.273 10.244 1.00 0.00 C ATOM 0 H MET A 76 1.121 3.389 6.778 1.00 0.00 H new ATOM 0 HA MET A 76 0.023 4.734 9.152 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.188 3.078 7.420 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.424 1.839 8.396 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.575 2.185 9.399 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.443 2.998 10.462 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.839 5.142 10.205 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.719 3.396 9.883 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.863 4.105 11.273 1.00 0.00 H new ATOM 1215 N ILE A 77 1.866 1.992 9.253 1.00 0.00 N ATOM 1216 CA ILE A 77 2.803 1.246 10.074 1.00 0.00 C ATOM 1217 C ILE A 77 4.080 0.983 9.274 1.00 0.00 C ATOM 1218 O ILE A 77 4.021 0.721 8.074 1.00 0.00 O ATOM 1219 CB ILE A 77 2.144 -0.025 10.616 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.094 -0.780 11.548 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.637 -0.909 9.475 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.468 0.075 12.760 1.00 0.00 C ATOM 0 H ILE A 77 1.644 1.557 8.357 1.00 0.00 H new ATOM 0 HA ILE A 77 3.090 1.828 10.949 1.00 0.00 H new ATOM 0 HB ILE A 77 1.276 0.266 11.208 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.623 -1.704 11.882 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.996 -1.060 11.004 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.173 -1.805 9.887 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.903 -0.358 8.887 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.473 -1.194 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.144 -0.485 13.406 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.961 0.987 12.424 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.566 0.333 13.315 1.00 0.00 H new ATOM 1234 N GLU A 78 5.204 1.063 9.971 1.00 0.00 N ATOM 1235 CA GLU A 78 6.493 0.836 9.340 1.00 0.00 C ATOM 1236 C GLU A 78 7.211 -0.339 10.007 1.00 0.00 C ATOM 1237 O GLU A 78 6.575 -1.311 10.411 1.00 0.00 O ATOM 1238 CB GLU A 78 7.354 2.101 9.385 1.00 0.00 C ATOM 1239 CG GLU A 78 8.304 2.159 8.186 1.00 0.00 C ATOM 1240 CD GLU A 78 9.575 2.936 8.533 1.00 0.00 C ATOM 1241 OE1 GLU A 78 9.877 3.021 9.743 1.00 0.00 O ATOM 1242 OE2 GLU A 78 10.218 3.427 7.579 1.00 0.00 O ATOM 0 H GLU A 78 5.249 1.282 10.966 1.00 0.00 H new ATOM 0 HA GLU A 78 6.325 0.586 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.713 2.982 9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.929 2.122 10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.565 1.148 7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.802 2.633 7.342 1.00 0.00 H new ATOM 1249 N ASP A 79 8.526 -0.211 10.099 1.00 0.00 N ATOM 1250 CA ASP A 79 9.337 -1.252 10.709 1.00 0.00 C ATOM 1251 C ASP A 79 9.576 -0.909 12.181 1.00 0.00 C ATOM 1252 O ASP A 79 10.656 -0.449 12.548 1.00 0.00 O ATOM 1253 CB ASP A 79 10.700 -1.361 10.022 1.00 0.00 C ATOM 1254 CG ASP A 79 11.230 -0.056 9.425 1.00 0.00 C ATOM 1255 OD1 ASP A 79 11.165 0.965 10.144 1.00 0.00 O ATOM 1256 OD2 ASP A 79 11.687 -0.109 8.263 1.00 0.00 O ATOM 0 H ASP A 79 9.050 0.596 9.762 1.00 0.00 H new ATOM 0 HA ASP A 79 8.805 -2.198 10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.426 -1.733 10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.631 -2.105 9.228 1.00 0.00 H new ATOM 1261 N VAL A 80 8.550 -1.146 12.985 1.00 0.00 N ATOM 1262 CA VAL A 80 8.635 -0.868 14.409 1.00 0.00 C ATOM 1263 C VAL A 80 9.984 -1.356 14.940 1.00 0.00 C ATOM 1264 O VAL A 80 10.200 -2.558 15.087 1.00 0.00 O ATOM 1265 CB VAL A 80 7.444 -1.496 15.136 1.00 0.00 C ATOM 1266 CG1 VAL A 80 7.650 -3.000 15.329 1.00 0.00 C ATOM 1267 CG2 VAL A 80 7.191 -0.801 16.476 1.00 0.00 C ATOM 0 H VAL A 80 7.655 -1.527 12.678 1.00 0.00 H new ATOM 0 HA VAL A 80 8.582 0.205 14.593 1.00 0.00 H new ATOM 0 HB VAL A 80 6.560 -1.356 14.514 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.789 -3.421 15.848 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.758 -3.480 14.356 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.550 -3.171 15.920 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.339 -1.266 16.972 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.075 -0.895 17.107 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.978 0.254 16.304 1.00 0.00 H new ATOM 1277 N GLN A 81 10.858 -0.398 15.213 1.00 0.00 N ATOM 1278 CA GLN A 81 12.181 -0.715 15.724 1.00 0.00 C ATOM 1279 C GLN A 81 12.100 -1.871 16.723 1.00 0.00 C ATOM 1280 O GLN A 81 12.349 -3.022 16.367 1.00 0.00 O ATOM 1281 CB GLN A 81 12.831 0.514 16.361 1.00 0.00 C ATOM 1282 CG GLN A 81 14.311 0.261 16.654 1.00 0.00 C ATOM 1283 CD GLN A 81 15.149 1.508 16.364 1.00 0.00 C ATOM 1284 OE1 GLN A 81 14.779 2.626 16.686 1.00 0.00 O ATOM 1285 NE2 GLN A 81 16.295 1.256 15.738 1.00 0.00 N ATOM 0 H GLN A 81 10.676 0.598 15.090 1.00 0.00 H new ATOM 0 HA GLN A 81 12.808 -1.025 14.888 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.730 1.370 15.694 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.312 0.767 17.285 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.434 -0.030 17.697 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.668 -0.571 16.047 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.544 0.297 15.497 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.925 2.022 15.499 1.00 0.00 H new TER 1294 GLN A 81