USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 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 3 GLN : amide:sc= 2.22 K(o=3.4,f=-0.84) USER MOD Set 1.2: A 77 SER OG : rot 132:sc= 1.19 USER MOD Set 2.1: A 64 SER OG : rot -62:sc= 1.51 USER MOD Set 2.2: A 67 SER OG : rot -151:sc= 1.89 USER MOD Set 3.1: A 13 GLN : amide:sc= 1.94 K(o=4.7,f=1.6) USER MOD Set 3.2: A 36 ASN : amide:sc= 2.8 K(o=4.7,f=-2.9) USER MOD Single : A 1 MET CE :methyl -176:sc= -0.0403 (180deg=-0.0508) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0717 (180deg=-0.0814) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.231 K(o=0.23,f=-0.59) USER MOD Single : A 23 MET CE :methyl -174:sc= 0 (180deg=-0.0264) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.29 (180deg=0.149) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.17) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 55 SER OG : rot 75:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.07) USER MOD Single : A 62 ASN : amide:sc= 0.763 K(o=0.76,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.219 K(o=0.47,f=-5.1!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.474 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc=0.000275 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.816 -13.492 -0.471 1.00 0.00 N ATOM 2 CA MET A 1 -5.742 -14.137 0.332 1.00 0.00 C ATOM 3 C MET A 1 -6.269 -14.474 1.734 1.00 0.00 C ATOM 4 O MET A 1 -7.300 -13.950 2.161 1.00 0.00 O ATOM 5 CB MET A 1 -4.462 -13.274 0.411 1.00 0.00 C ATOM 6 CG MET A 1 -3.769 -13.080 -0.948 1.00 0.00 C ATOM 7 SD MET A 1 -2.295 -12.016 -0.914 1.00 0.00 S ATOM 8 CE MET A 1 -1.066 -13.145 -0.203 1.00 0.00 C ATOM 0 H1 MET A 1 -7.093 -14.123 -1.250 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.641 -13.309 0.136 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.466 -12.593 -0.860 1.00 0.00 H new ATOM 0 HA MET A 1 -5.459 -15.059 -0.175 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.716 -12.297 0.823 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.761 -13.740 1.104 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.484 -14.058 -1.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.488 -12.656 -1.649 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.127 -12.613 -0.054 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.427 -13.519 0.755 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.905 -13.982 -0.882 1.00 0.00 H new ATOM 20 N LEU A 2 -5.580 -15.363 2.456 1.00 0.00 N ATOM 21 CA LEU A 2 -6.028 -15.944 3.718 1.00 0.00 C ATOM 22 C LEU A 2 -4.832 -16.062 4.660 1.00 0.00 C ATOM 23 O LEU A 2 -3.699 -16.238 4.202 1.00 0.00 O ATOM 24 CB LEU A 2 -6.626 -17.328 3.401 1.00 0.00 C ATOM 25 CG LEU A 2 -7.182 -18.129 4.593 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.289 -17.362 5.314 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.772 -19.436 4.067 1.00 0.00 C ATOM 0 H LEU A 2 -4.665 -15.707 2.165 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.781 -15.324 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.429 -17.194 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.856 -17.929 2.916 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.368 -18.310 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.659 -17.956 6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.893 -16.417 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.106 -17.164 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.171 -20.016 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.573 -19.216 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.994 -20.010 3.564 1.00 0.00 H new ATOM 39 N GLN A 3 -5.100 -15.989 5.963 1.00 0.00 N ATOM 40 CA GLN A 3 -4.138 -16.200 7.034 1.00 0.00 C ATOM 41 C GLN A 3 -4.581 -17.451 7.789 1.00 0.00 C ATOM 42 O GLN A 3 -5.771 -17.608 8.071 1.00 0.00 O ATOM 43 CB GLN A 3 -4.136 -14.970 7.964 1.00 0.00 C ATOM 44 CG GLN A 3 -3.267 -15.124 9.227 1.00 0.00 C ATOM 45 CD GLN A 3 -3.486 -13.979 10.216 1.00 0.00 C ATOM 46 OE1 GLN A 3 -4.191 -14.127 11.212 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.901 -12.820 9.975 1.00 0.00 N ATOM 0 H GLN A 3 -6.034 -15.772 6.312 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.127 -16.331 6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.785 -14.105 7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.161 -14.758 8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.498 -16.072 9.713 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.216 -15.160 8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.318 -12.706 9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.032 -12.039 10.618 1.00 0.00 H new ATOM 56 N TYR A 4 -3.615 -18.277 8.188 1.00 0.00 N ATOM 57 CA TYR A 4 -3.786 -19.386 9.113 1.00 0.00 C ATOM 58 C TYR A 4 -2.799 -19.225 10.268 1.00 0.00 C ATOM 59 O TYR A 4 -1.713 -18.666 10.104 1.00 0.00 O ATOM 60 CB TYR A 4 -3.519 -20.737 8.418 1.00 0.00 C ATOM 61 CG TYR A 4 -4.601 -21.369 7.554 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.932 -20.912 7.547 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.265 -22.507 6.797 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.915 -21.588 6.805 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.235 -23.183 6.036 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.573 -22.726 6.044 1.00 0.00 C ATOM 67 OH TYR A 4 -7.542 -23.378 5.344 1.00 0.00 O ATOM 0 H TYR A 4 -2.654 -18.184 7.860 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.814 -19.377 9.476 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.635 -20.612 7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.261 -21.457 9.195 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.200 -20.034 8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.247 -22.866 6.801 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.936 -21.235 6.817 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.960 -24.046 5.449 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.147 -24.140 4.871 1.00 0.00 H new ATOM 77 N ARG A 5 -3.152 -19.813 11.409 1.00 0.00 N ATOM 78 CA ARG A 5 -2.242 -20.178 12.490 1.00 0.00 C ATOM 79 C ARG A 5 -2.366 -21.691 12.592 1.00 0.00 C ATOM 80 O ARG A 5 -3.482 -22.204 12.488 1.00 0.00 O ATOM 81 CB ARG A 5 -2.675 -19.487 13.794 1.00 0.00 C ATOM 82 CG ARG A 5 -1.684 -19.676 14.960 1.00 0.00 C ATOM 83 CD ARG A 5 -2.376 -19.301 16.279 1.00 0.00 C ATOM 84 NE ARG A 5 -1.460 -19.315 17.431 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.823 -19.266 18.718 1.00 0.00 C ATOM 86 NH1 ARG A 5 -3.105 -19.213 19.076 1.00 0.00 N ATOM 87 NH2 ARG A 5 -0.870 -19.270 19.639 1.00 0.00 N ATOM 0 H ARG A 5 -4.121 -20.058 11.613 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.212 -19.870 12.308 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.799 -18.421 13.605 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.650 -19.873 14.092 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.341 -20.710 14.997 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.803 -19.053 14.808 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.816 -18.308 16.183 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.195 -19.996 16.464 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.461 -19.367 17.231 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.834 -19.209 18.363 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.358 -19.176 20.064 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.110 -19.310 19.359 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.116 -19.233 20.628 1.00 0.00 H new ATOM 101 N ILE A 6 -1.261 -22.404 12.780 1.00 0.00 N ATOM 102 CA ILE A 6 -1.243 -23.858 12.863 1.00 0.00 C ATOM 103 C ILE A 6 -0.439 -24.211 14.108 1.00 0.00 C ATOM 104 O ILE A 6 0.559 -23.551 14.407 1.00 0.00 O ATOM 105 CB ILE A 6 -0.662 -24.498 11.576 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.333 -23.994 10.275 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.780 -26.033 11.616 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.599 -22.819 9.612 1.00 0.00 C ATOM 0 H ILE A 6 -0.339 -21.980 12.880 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.253 -24.260 12.942 1.00 0.00 H new ATOM 0 HB ILE A 6 0.384 -24.193 11.557 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.393 -24.819 9.565 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.356 -23.691 10.499 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.364 -26.454 10.700 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.230 -26.418 12.475 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.829 -26.315 11.701 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.129 -22.523 8.707 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.562 -21.977 10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.416 -23.122 9.355 1.00 0.00 H new ATOM 120 N ILE A 7 -0.854 -25.262 14.809 1.00 0.00 N ATOM 121 CA ILE A 7 -0.194 -25.806 15.988 1.00 0.00 C ATOM 122 C ILE A 7 -0.061 -27.307 15.708 1.00 0.00 C ATOM 123 O ILE A 7 -0.993 -27.905 15.162 1.00 0.00 O ATOM 124 CB ILE A 7 -1.031 -25.495 17.256 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.399 -23.998 17.439 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.322 -26.017 18.516 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.221 -23.054 17.707 1.00 0.00 C ATOM 0 H ILE A 7 -1.697 -25.779 14.558 1.00 0.00 H new ATOM 0 HA ILE A 7 0.786 -25.368 16.177 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.975 -26.019 17.108 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.917 -23.658 16.543 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.104 -23.914 18.266 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.926 -25.789 19.394 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.189 -27.096 18.438 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.652 -25.537 18.611 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.590 -22.034 17.819 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.288 -23.358 18.622 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.477 -23.097 16.871 1.00 0.00 H new ATOM 139 N VAL A 8 1.081 -27.912 16.034 1.00 0.00 N ATOM 140 CA VAL A 8 1.399 -29.296 15.663 1.00 0.00 C ATOM 141 C VAL A 8 2.046 -29.984 16.867 1.00 0.00 C ATOM 142 O VAL A 8 2.774 -29.330 17.614 1.00 0.00 O ATOM 143 CB VAL A 8 2.346 -29.331 14.437 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.248 -30.680 13.711 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.115 -28.222 13.393 1.00 0.00 C ATOM 0 H VAL A 8 1.820 -27.454 16.568 1.00 0.00 H new ATOM 0 HA VAL A 8 0.486 -29.822 15.385 1.00 0.00 H new ATOM 0 HB VAL A 8 3.334 -29.168 14.867 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.921 -30.682 12.854 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.528 -31.482 14.394 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.225 -30.836 13.369 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.828 -28.336 12.577 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.101 -28.297 13.001 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.252 -27.247 13.861 1.00 0.00 H new ATOM 155 N ASP A 9 1.840 -31.290 17.042 1.00 0.00 N ATOM 156 CA ASP A 9 2.445 -32.089 18.107 1.00 0.00 C ATOM 157 C ASP A 9 2.787 -33.487 17.584 1.00 0.00 C ATOM 158 O ASP A 9 2.200 -33.942 16.599 1.00 0.00 O ATOM 159 CB ASP A 9 1.480 -32.198 19.296 1.00 0.00 C ATOM 160 CG ASP A 9 2.105 -32.929 20.498 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.318 -32.760 20.757 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.374 -33.658 21.204 1.00 0.00 O ATOM 0 H ASP A 9 1.232 -31.835 16.431 1.00 0.00 H new ATOM 0 HA ASP A 9 3.361 -31.599 18.437 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.172 -31.198 19.603 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.580 -32.726 18.982 1.00 0.00 H new ATOM 167 N GLY A 10 3.739 -34.162 18.230 1.00 0.00 N ATOM 168 CA GLY A 10 4.212 -35.495 17.885 1.00 0.00 C ATOM 169 C GLY A 10 5.727 -35.570 18.037 1.00 0.00 C ATOM 170 O GLY A 10 6.328 -34.788 18.780 1.00 0.00 O ATOM 0 H GLY A 10 4.219 -33.774 19.042 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.737 -36.235 18.529 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.929 -35.735 16.860 1.00 0.00 H new ATOM 174 N ARG A 11 6.366 -36.477 17.296 1.00 0.00 N ATOM 175 CA ARG A 11 7.788 -36.362 16.979 1.00 0.00 C ATOM 176 C ARG A 11 7.904 -35.233 15.958 1.00 0.00 C ATOM 177 O ARG A 11 7.773 -35.478 14.756 1.00 0.00 O ATOM 178 CB ARG A 11 8.329 -37.708 16.467 1.00 0.00 C ATOM 179 CG ARG A 11 9.799 -37.641 16.026 1.00 0.00 C ATOM 180 CD ARG A 11 10.267 -39.004 15.505 1.00 0.00 C ATOM 181 NE ARG A 11 11.537 -38.887 14.771 1.00 0.00 N ATOM 182 CZ ARG A 11 12.774 -38.930 15.279 1.00 0.00 C ATOM 183 NH1 ARG A 11 12.970 -39.089 16.586 1.00 0.00 N ATOM 184 NH2 ARG A 11 13.816 -38.812 14.464 1.00 0.00 N ATOM 0 H ARG A 11 5.916 -37.304 16.903 1.00 0.00 H new ATOM 0 HA ARG A 11 8.395 -36.124 17.852 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.226 -38.456 17.253 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.719 -38.042 15.627 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.917 -36.888 15.247 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.423 -37.332 16.865 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.389 -39.693 16.341 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.504 -39.428 14.852 1.00 0.00 H new ATOM 0 HE ARG A 11 11.466 -38.759 13.762 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.171 -39.180 17.214 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.919 -39.120 16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.669 -38.690 13.462 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.764 -38.843 14.840 1.00 0.00 H new ATOM 198 N VAL A 12 8.070 -34.002 16.438 1.00 0.00 N ATOM 199 CA VAL A 12 8.042 -32.792 15.615 1.00 0.00 C ATOM 200 C VAL A 12 9.142 -31.800 16.037 1.00 0.00 C ATOM 201 O VAL A 12 9.057 -30.613 15.725 1.00 0.00 O ATOM 202 CB VAL A 12 6.620 -32.174 15.629 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.557 -33.133 15.072 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.168 -31.701 17.023 1.00 0.00 C ATOM 0 H VAL A 12 8.231 -33.813 17.427 1.00 0.00 H new ATOM 0 HA VAL A 12 8.267 -33.056 14.582 1.00 0.00 H new ATOM 0 HB VAL A 12 6.703 -31.303 14.979 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.580 -32.651 15.104 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.802 -33.388 14.041 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.534 -34.041 15.675 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.165 -31.280 16.957 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.162 -32.547 17.710 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.857 -30.940 17.390 1.00 0.00 H new ATOM 214 N GLN A 13 10.169 -32.258 16.765 1.00 0.00 N ATOM 215 CA GLN A 13 11.283 -31.430 17.224 1.00 0.00 C ATOM 216 C GLN A 13 12.585 -32.209 17.066 1.00 0.00 C ATOM 217 O GLN A 13 12.578 -33.443 17.154 1.00 0.00 O ATOM 218 CB GLN A 13 11.123 -31.046 18.706 1.00 0.00 C ATOM 219 CG GLN A 13 9.755 -30.466 19.083 1.00 0.00 C ATOM 220 CD GLN A 13 9.827 -29.626 20.361 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.341 -30.059 21.391 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.331 -28.402 20.315 1.00 0.00 N ATOM 0 H GLN A 13 10.247 -33.233 17.055 1.00 0.00 H new ATOM 0 HA GLN A 13 11.297 -30.520 16.624 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.306 -31.930 19.316 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.892 -30.317 18.962 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.383 -29.851 18.264 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.041 -31.278 19.221 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.907 -28.055 19.454 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.372 -27.804 21.140 1.00 0.00 H new ATOM 231 N GLY A 14 13.702 -31.502 16.912 1.00 0.00 N ATOM 232 CA GLY A 14 15.012 -32.107 16.753 1.00 0.00 C ATOM 233 C GLY A 14 15.114 -32.881 15.437 1.00 0.00 C ATOM 234 O GLY A 14 15.807 -33.901 15.386 1.00 0.00 O ATOM 0 H GLY A 14 13.718 -30.482 16.895 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.778 -31.332 16.781 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.208 -32.779 17.588 1.00 0.00 H new ATOM 238 N VAL A 15 14.418 -32.428 14.393 1.00 0.00 N ATOM 239 CA VAL A 15 14.346 -33.089 13.089 1.00 0.00 C ATOM 240 C VAL A 15 14.555 -32.095 11.936 1.00 0.00 C ATOM 241 O VAL A 15 14.720 -32.519 10.790 1.00 0.00 O ATOM 242 CB VAL A 15 13.027 -33.886 12.946 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.997 -35.124 13.857 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.766 -33.047 13.205 1.00 0.00 C ATOM 0 H VAL A 15 13.873 -31.567 14.433 1.00 0.00 H new ATOM 0 HA VAL A 15 15.165 -33.806 13.030 1.00 0.00 H new ATOM 0 HB VAL A 15 13.012 -34.199 11.902 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.053 -35.652 13.723 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.823 -35.786 13.598 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.094 -34.813 14.897 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.882 -33.673 13.086 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.796 -32.649 14.219 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.725 -32.223 12.493 1.00 0.00 H new ATOM 254 N GLY A 16 14.606 -30.790 12.214 1.00 0.00 N ATOM 255 CA GLY A 16 14.709 -29.738 11.227 1.00 0.00 C ATOM 256 C GLY A 16 13.321 -29.202 10.891 1.00 0.00 C ATOM 257 O GLY A 16 13.145 -28.679 9.791 1.00 0.00 O ATOM 0 H GLY A 16 14.575 -30.435 13.170 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.337 -28.932 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.189 -30.119 10.326 1.00 0.00 H new ATOM 261 N PHE A 17 12.321 -29.377 11.761 1.00 0.00 N ATOM 262 CA PHE A 17 10.934 -29.058 11.451 1.00 0.00 C ATOM 263 C PHE A 17 10.815 -27.586 11.055 1.00 0.00 C ATOM 264 O PHE A 17 10.200 -27.279 10.033 1.00 0.00 O ATOM 265 CB PHE A 17 10.018 -29.402 12.636 1.00 0.00 C ATOM 266 CG PHE A 17 8.587 -29.733 12.247 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.693 -28.725 11.842 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.140 -31.065 12.309 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.362 -29.048 11.509 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.811 -31.388 11.986 1.00 0.00 C ATOM 271 CZ PHE A 17 5.919 -30.380 11.586 1.00 0.00 C ATOM 0 H PHE A 17 12.457 -29.746 12.702 1.00 0.00 H new ATOM 0 HA PHE A 17 10.609 -29.664 10.605 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.442 -30.251 13.173 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.008 -28.560 13.328 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.028 -27.700 11.786 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.824 -31.846 12.607 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.681 -28.271 11.194 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.475 -32.413 12.045 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.897 -30.627 11.339 1.00 0.00 H new ATOM 281 N ARG A 18 11.465 -26.681 11.796 1.00 0.00 N ATOM 282 CA ARG A 18 11.531 -25.262 11.438 1.00 0.00 C ATOM 283 C ARG A 18 12.055 -25.064 10.016 1.00 0.00 C ATOM 284 O ARG A 18 11.423 -24.350 9.240 1.00 0.00 O ATOM 285 CB ARG A 18 12.407 -24.524 12.462 1.00 0.00 C ATOM 286 CG ARG A 18 11.609 -24.191 13.731 1.00 0.00 C ATOM 287 CD ARG A 18 12.521 -23.795 14.897 1.00 0.00 C ATOM 288 NE ARG A 18 13.086 -24.968 15.585 1.00 0.00 N ATOM 289 CZ ARG A 18 13.700 -24.950 16.770 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.934 -23.794 17.397 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.061 -26.086 17.346 1.00 0.00 N ATOM 0 H ARG A 18 11.958 -26.912 12.658 1.00 0.00 H new ATOM 0 HA ARG A 18 10.524 -24.846 11.461 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.268 -25.141 12.721 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.794 -23.606 12.020 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.916 -23.376 13.520 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.008 -25.054 14.018 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.332 -23.169 14.525 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.956 -23.195 15.610 1.00 0.00 H new ATOM 0 HE ARG A 18 13.001 -25.870 15.117 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.643 -22.914 16.970 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.404 -23.791 18.302 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.870 -26.975 16.884 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.530 -26.072 18.252 1.00 0.00 H new ATOM 305 N TYR A 19 13.176 -25.697 9.659 1.00 0.00 N ATOM 306 CA TYR A 19 13.767 -25.569 8.332 1.00 0.00 C ATOM 307 C TYR A 19 12.805 -26.085 7.260 1.00 0.00 C ATOM 308 O TYR A 19 12.556 -25.384 6.278 1.00 0.00 O ATOM 309 CB TYR A 19 15.115 -26.308 8.279 1.00 0.00 C ATOM 310 CG TYR A 19 15.667 -26.481 6.876 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.285 -25.399 6.220 1.00 0.00 C ATOM 312 CD2 TYR A 19 15.524 -27.716 6.211 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.763 -25.550 4.906 1.00 0.00 C ATOM 314 CE2 TYR A 19 16.001 -27.874 4.898 1.00 0.00 C ATOM 315 CZ TYR A 19 16.622 -26.788 4.236 1.00 0.00 C ATOM 316 OH TYR A 19 17.093 -26.921 2.964 1.00 0.00 O ATOM 0 H TYR A 19 13.696 -26.312 10.285 1.00 0.00 H new ATOM 0 HA TYR A 19 13.951 -24.514 8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.842 -25.761 8.880 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.998 -27.290 8.736 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.392 -24.451 6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.046 -28.544 6.713 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.239 -24.719 4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.894 -28.824 4.395 1.00 0.00 H new ATOM 0 HH TYR A 19 16.920 -27.831 2.645 1.00 0.00 H new ATOM 326 N PHE A 20 12.242 -27.283 7.444 1.00 0.00 N ATOM 327 CA PHE A 20 11.365 -27.883 6.451 1.00 0.00 C ATOM 328 C PHE A 20 10.113 -27.032 6.246 1.00 0.00 C ATOM 329 O PHE A 20 9.730 -26.792 5.104 1.00 0.00 O ATOM 330 CB PHE A 20 11.048 -29.346 6.797 1.00 0.00 C ATOM 331 CG PHE A 20 12.209 -30.278 6.490 1.00 0.00 C ATOM 332 CD1 PHE A 20 12.580 -30.516 5.151 1.00 0.00 C ATOM 333 CD2 PHE A 20 12.949 -30.877 7.527 1.00 0.00 C ATOM 334 CE1 PHE A 20 13.692 -31.326 4.856 1.00 0.00 C ATOM 335 CE2 PHE A 20 14.065 -31.679 7.233 1.00 0.00 C ATOM 336 CZ PHE A 20 14.440 -31.903 5.897 1.00 0.00 C ATOM 0 H PHE A 20 12.383 -27.854 8.278 1.00 0.00 H new ATOM 0 HA PHE A 20 11.888 -27.905 5.495 1.00 0.00 H new ATOM 0 HB2 PHE A 20 10.796 -29.420 7.855 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.170 -29.667 6.237 1.00 0.00 H new ATOM 0 HD1 PHE A 20 12.008 -30.075 4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.657 -30.719 8.555 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.971 -31.505 3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.635 -32.124 8.035 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.300 -32.516 5.671 1.00 0.00 H new ATOM 346 N VAL A 21 9.511 -26.501 7.314 1.00 0.00 N ATOM 347 CA VAL A 21 8.380 -25.586 7.189 1.00 0.00 C ATOM 348 C VAL A 21 8.809 -24.308 6.453 1.00 0.00 C ATOM 349 O VAL A 21 8.064 -23.839 5.593 1.00 0.00 O ATOM 350 CB VAL A 21 7.776 -25.313 8.580 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.687 -24.235 8.555 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.119 -26.585 9.136 1.00 0.00 C ATOM 0 H VAL A 21 9.791 -26.692 8.276 1.00 0.00 H new ATOM 0 HA VAL A 21 7.595 -26.040 6.585 1.00 0.00 H new ATOM 0 HB VAL A 21 8.607 -24.977 9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.299 -24.086 9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.109 -23.300 8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.877 -24.551 7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.697 -26.377 10.119 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.326 -26.909 8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.867 -27.373 9.222 1.00 0.00 H new ATOM 362 N GLN A 22 9.999 -23.762 6.731 1.00 0.00 N ATOM 363 CA GLN A 22 10.467 -22.540 6.090 1.00 0.00 C ATOM 364 C GLN A 22 10.540 -22.752 4.576 1.00 0.00 C ATOM 365 O GLN A 22 9.991 -21.945 3.826 1.00 0.00 O ATOM 366 CB GLN A 22 11.815 -22.113 6.704 1.00 0.00 C ATOM 367 CG GLN A 22 12.190 -20.633 6.514 1.00 0.00 C ATOM 368 CD GLN A 22 12.464 -20.210 5.069 1.00 0.00 C ATOM 369 OE1 GLN A 22 13.066 -20.939 4.285 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.050 -19.010 4.694 1.00 0.00 N ATOM 0 H GLN A 22 10.657 -24.157 7.403 1.00 0.00 H new ATOM 0 HA GLN A 22 9.766 -21.724 6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.793 -22.330 7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.603 -22.728 6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.382 -20.017 6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.076 -20.420 7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.551 -18.413 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.230 -18.682 3.745 1.00 0.00 H new ATOM 379 N MET A 23 11.149 -23.851 4.118 1.00 0.00 N ATOM 380 CA MET A 23 11.247 -24.108 2.683 1.00 0.00 C ATOM 381 C MET A 23 9.886 -24.473 2.079 1.00 0.00 C ATOM 382 O MET A 23 9.624 -24.118 0.932 1.00 0.00 O ATOM 383 CB MET A 23 12.326 -25.151 2.348 1.00 0.00 C ATOM 384 CG MET A 23 12.059 -26.542 2.933 1.00 0.00 C ATOM 385 SD MET A 23 13.263 -27.824 2.486 1.00 0.00 S ATOM 386 CE MET A 23 12.812 -28.108 0.751 1.00 0.00 C ATOM 0 H MET A 23 11.574 -24.564 4.711 1.00 0.00 H new ATOM 0 HA MET A 23 11.566 -23.176 2.217 1.00 0.00 H new ATOM 0 HB2 MET A 23 12.410 -25.235 1.264 1.00 0.00 H new ATOM 0 HB3 MET A 23 13.288 -24.793 2.716 1.00 0.00 H new ATOM 0 HG2 MET A 23 12.029 -26.460 4.019 1.00 0.00 H new ATOM 0 HG3 MET A 23 11.070 -26.869 2.610 1.00 0.00 H new ATOM 0 HE1 MET A 23 13.388 -28.946 0.358 1.00 0.00 H new ATOM 0 HE2 MET A 23 11.748 -28.336 0.684 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.028 -27.213 0.168 1.00 0.00 H new ATOM 396 N GLU A 24 8.992 -25.133 2.823 1.00 0.00 N ATOM 397 CA GLU A 24 7.661 -25.470 2.332 1.00 0.00 C ATOM 398 C GLU A 24 6.782 -24.228 2.172 1.00 0.00 C ATOM 399 O GLU A 24 5.891 -24.223 1.318 1.00 0.00 O ATOM 400 CB GLU A 24 6.990 -26.494 3.265 1.00 0.00 C ATOM 401 CG GLU A 24 7.443 -27.936 2.990 1.00 0.00 C ATOM 402 CD GLU A 24 7.060 -28.379 1.573 1.00 0.00 C ATOM 403 OE1 GLU A 24 5.848 -28.417 1.265 1.00 0.00 O ATOM 404 OE2 GLU A 24 7.963 -28.615 0.739 1.00 0.00 O ATOM 0 H GLU A 24 9.174 -25.445 3.777 1.00 0.00 H new ATOM 0 HA GLU A 24 7.776 -25.915 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.216 -26.238 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.908 -26.430 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.523 -28.011 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.989 -28.607 3.719 1.00 0.00 H new ATOM 411 N ALA A 25 7.021 -23.179 2.962 1.00 0.00 N ATOM 412 CA ALA A 25 6.409 -21.878 2.754 1.00 0.00 C ATOM 413 C ALA A 25 7.063 -21.182 1.560 1.00 0.00 C ATOM 414 O ALA A 25 6.364 -20.632 0.706 1.00 0.00 O ATOM 415 CB ALA A 25 6.577 -21.034 4.019 1.00 0.00 C ATOM 0 H ALA A 25 7.648 -23.215 3.766 1.00 0.00 H new ATOM 0 HA ALA A 25 5.346 -22.001 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.119 -20.056 3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.094 -21.535 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.638 -20.908 4.234 1.00 0.00 H new ATOM 421 N ASP A 26 8.395 -21.229 1.481 1.00 0.00 N ATOM 422 CA ASP A 26 9.177 -20.534 0.462 1.00 0.00 C ATOM 423 C ASP A 26 8.822 -21.023 -0.937 1.00 0.00 C ATOM 424 O ASP A 26 8.625 -20.213 -1.841 1.00 0.00 O ATOM 425 CB ASP A 26 10.677 -20.738 0.698 1.00 0.00 C ATOM 426 CG ASP A 26 11.495 -19.943 -0.332 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.585 -18.701 -0.208 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.072 -20.558 -1.257 1.00 0.00 O ATOM 0 H ASP A 26 8.968 -21.761 2.136 1.00 0.00 H new ATOM 0 HA ASP A 26 8.937 -19.473 0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.940 -20.417 1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.922 -21.798 0.627 1.00 0.00 H new ATOM 433 N LYS A 27 8.656 -22.341 -1.114 1.00 0.00 N ATOM 434 CA LYS A 27 8.329 -22.921 -2.418 1.00 0.00 C ATOM 435 C LYS A 27 6.902 -22.599 -2.885 1.00 0.00 C ATOM 436 O LYS A 27 6.560 -22.889 -4.031 1.00 0.00 O ATOM 437 CB LYS A 27 8.723 -24.413 -2.464 1.00 0.00 C ATOM 438 CG LYS A 27 7.902 -25.411 -1.625 1.00 0.00 C ATOM 439 CD LYS A 27 6.652 -25.925 -2.356 1.00 0.00 C ATOM 440 CE LYS A 27 6.003 -27.163 -1.717 1.00 0.00 C ATOM 441 NZ LYS A 27 6.847 -28.382 -1.767 1.00 0.00 N ATOM 0 H LYS A 27 8.744 -23.027 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 27 8.942 -22.431 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.678 -24.737 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.764 -24.492 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.534 -26.258 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.600 -24.932 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.914 -25.123 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.920 -26.162 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.767 -26.940 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.059 -27.367 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.238 -29.224 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.455 -28.349 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.440 -28.429 -0.914 1.00 0.00 H new ATOM 455 N ARG A 28 6.080 -21.966 -2.038 1.00 0.00 N ATOM 456 CA ARG A 28 4.759 -21.422 -2.368 1.00 0.00 C ATOM 457 C ARG A 28 4.750 -19.889 -2.287 1.00 0.00 C ATOM 458 O ARG A 28 3.697 -19.284 -2.488 1.00 0.00 O ATOM 459 CB ARG A 28 3.746 -22.018 -1.378 1.00 0.00 C ATOM 460 CG ARG A 28 3.319 -23.445 -1.739 1.00 0.00 C ATOM 461 CD ARG A 28 2.803 -24.155 -0.487 1.00 0.00 C ATOM 462 NE ARG A 28 2.568 -25.590 -0.730 1.00 0.00 N ATOM 463 CZ ARG A 28 3.171 -26.603 -0.092 1.00 0.00 C ATOM 464 NH1 ARG A 28 4.095 -26.379 0.836 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.882 -27.861 -0.402 1.00 0.00 N ATOM 0 H ARG A 28 6.330 -21.813 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 28 4.497 -21.688 -3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.181 -22.017 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.863 -21.379 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.542 -23.421 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.162 -23.993 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.524 -24.036 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.876 -23.685 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 28 1.886 -25.834 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.357 -25.422 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.542 -27.164 1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.197 -28.062 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.345 -28.626 0.088 1.00 0.00 H new ATOM 479 N LYS A 29 5.891 -19.251 -1.990 1.00 0.00 N ATOM 480 CA LYS A 29 6.012 -17.825 -1.672 1.00 0.00 C ATOM 481 C LYS A 29 4.945 -17.366 -0.664 1.00 0.00 C ATOM 482 O LYS A 29 4.402 -16.265 -0.789 1.00 0.00 O ATOM 483 CB LYS A 29 6.067 -16.981 -2.962 1.00 0.00 C ATOM 484 CG LYS A 29 7.253 -17.356 -3.868 1.00 0.00 C ATOM 485 CD LYS A 29 7.318 -16.436 -5.097 1.00 0.00 C ATOM 486 CE LYS A 29 8.542 -16.718 -5.983 1.00 0.00 C ATOM 487 NZ LYS A 29 8.485 -18.039 -6.660 1.00 0.00 N ATOM 0 H LYS A 29 6.789 -19.735 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 29 6.961 -17.662 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.137 -17.111 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.136 -15.926 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.183 -17.283 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.156 -18.393 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.410 -16.560 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.344 -15.397 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.625 -15.935 -6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.443 -16.669 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.338 -18.168 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.435 -18.793 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.642 -18.082 -7.268 1.00 0.00 H new ATOM 501 N LEU A 30 4.626 -18.206 0.329 1.00 0.00 N ATOM 502 CA LEU A 30 3.852 -17.780 1.489 1.00 0.00 C ATOM 503 C LEU A 30 4.692 -16.784 2.298 1.00 0.00 C ATOM 504 O LEU A 30 5.912 -16.706 2.129 1.00 0.00 O ATOM 505 CB LEU A 30 3.473 -18.990 2.364 1.00 0.00 C ATOM 506 CG LEU A 30 2.586 -20.054 1.694 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.266 -21.173 2.686 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.263 -19.503 1.157 1.00 0.00 C ATOM 0 H LEU A 30 4.897 -19.189 0.346 1.00 0.00 H new ATOM 0 HA LEU A 30 2.929 -17.305 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.391 -19.471 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.959 -18.624 3.253 1.00 0.00 H new ATOM 0 HG LEU A 30 3.161 -20.424 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.638 -21.920 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.193 -21.639 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.739 -20.758 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.692 -20.310 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.689 -19.072 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.465 -18.734 0.412 1.00 0.00 H new ATOM 520 N ALA A 31 4.052 -16.069 3.220 1.00 0.00 N ATOM 521 CA ALA A 31 4.706 -15.198 4.193 1.00 0.00 C ATOM 522 C ALA A 31 4.144 -15.530 5.579 1.00 0.00 C ATOM 523 O ALA A 31 3.062 -16.108 5.657 1.00 0.00 O ATOM 524 CB ALA A 31 4.474 -13.740 3.793 1.00 0.00 C ATOM 0 H ALA A 31 3.036 -16.080 3.313 1.00 0.00 H new ATOM 0 HA ALA A 31 5.784 -15.354 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.959 -13.083 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.893 -13.563 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.404 -13.533 3.776 1.00 0.00 H new ATOM 530 N GLY A 32 4.870 -15.243 6.663 1.00 0.00 N ATOM 531 CA GLY A 32 4.496 -15.720 7.991 1.00 0.00 C ATOM 532 C GLY A 32 5.708 -16.036 8.867 1.00 0.00 C ATOM 533 O GLY A 32 6.802 -15.503 8.652 1.00 0.00 O ATOM 0 H GLY A 32 5.721 -14.681 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.883 -14.966 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.882 -16.615 7.892 1.00 0.00 H new ATOM 537 N TRP A 33 5.533 -16.925 9.845 1.00 0.00 N ATOM 538 CA TRP A 33 6.621 -17.419 10.665 1.00 0.00 C ATOM 539 C TRP A 33 6.431 -18.879 11.077 1.00 0.00 C ATOM 540 O TRP A 33 5.326 -19.420 11.007 1.00 0.00 O ATOM 541 CB TRP A 33 6.833 -16.510 11.893 1.00 0.00 C ATOM 542 CG TRP A 33 5.730 -16.413 12.916 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.162 -17.441 13.592 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.096 -15.208 13.452 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.207 -16.966 14.466 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.136 -15.592 14.439 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.247 -13.823 13.221 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.369 -14.657 15.150 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.482 -12.874 13.927 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.544 -13.287 14.890 1.00 0.00 C ATOM 0 H TRP A 33 4.624 -17.320 10.086 1.00 0.00 H new ATOM 0 HA TRP A 33 7.523 -17.389 10.054 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.732 -16.851 12.406 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.037 -15.503 11.529 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.420 -18.482 13.465 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.626 -17.559 15.058 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.964 -13.484 12.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.653 -14.986 15.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.617 -11.821 13.727 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.960 -12.554 15.428 1.00 0.00 H new ATOM 561 N VAL A 34 7.495 -19.483 11.608 1.00 0.00 N ATOM 562 CA VAL A 34 7.463 -20.766 12.305 1.00 0.00 C ATOM 563 C VAL A 34 8.327 -20.656 13.561 1.00 0.00 C ATOM 564 O VAL A 34 9.364 -19.987 13.550 1.00 0.00 O ATOM 565 CB VAL A 34 7.899 -21.908 11.356 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.319 -21.742 10.785 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.794 -23.285 12.031 1.00 0.00 C ATOM 0 H VAL A 34 8.431 -19.079 11.563 1.00 0.00 H new ATOM 0 HA VAL A 34 6.449 -21.014 12.619 1.00 0.00 H new ATOM 0 HB VAL A 34 7.199 -21.847 10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.548 -22.583 10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.377 -20.813 10.217 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.039 -21.712 11.603 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.109 -24.058 11.331 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.437 -23.309 12.911 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.762 -23.466 12.330 1.00 0.00 H new ATOM 577 N LYS A 35 7.925 -21.343 14.632 1.00 0.00 N ATOM 578 CA LYS A 35 8.708 -21.529 15.848 1.00 0.00 C ATOM 579 C LYS A 35 8.474 -22.952 16.348 1.00 0.00 C ATOM 580 O LYS A 35 7.465 -23.574 16.005 1.00 0.00 O ATOM 581 CB LYS A 35 8.335 -20.467 16.901 1.00 0.00 C ATOM 582 CG LYS A 35 6.897 -20.597 17.441 1.00 0.00 C ATOM 583 CD LYS A 35 6.559 -19.535 18.496 1.00 0.00 C ATOM 584 CE LYS A 35 6.392 -18.138 17.880 1.00 0.00 C ATOM 585 NZ LYS A 35 6.116 -17.113 18.914 1.00 0.00 N ATOM 0 H LYS A 35 7.014 -21.799 14.675 1.00 0.00 H new ATOM 0 HA LYS A 35 9.771 -21.397 15.646 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.033 -20.537 17.735 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.459 -19.477 16.463 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.194 -20.516 16.612 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.765 -21.588 17.875 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.640 -19.816 19.010 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.349 -19.507 19.247 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.297 -17.870 17.334 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.577 -18.154 17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.093 -16.172 18.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.197 -17.308 19.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.864 -17.138 19.636 1.00 0.00 H new ATOM 599 N ASN A 36 9.375 -23.462 17.186 1.00 0.00 N ATOM 600 CA ASN A 36 9.234 -24.784 17.788 1.00 0.00 C ATOM 601 C ASN A 36 9.354 -24.595 19.295 1.00 0.00 C ATOM 602 O ASN A 36 10.373 -24.101 19.781 1.00 0.00 O ATOM 603 CB ASN A 36 10.253 -25.774 17.196 1.00 0.00 C ATOM 604 CG ASN A 36 9.692 -27.186 17.093 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.702 -27.512 17.744 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.262 -28.032 16.257 1.00 0.00 N ATOM 0 H ASN A 36 10.223 -22.969 17.466 1.00 0.00 H new ATOM 0 HA ASN A 36 8.265 -25.231 17.566 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.556 -25.432 16.206 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.149 -25.785 17.817 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.882 -28.972 16.144 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.083 -27.747 15.724 1.00 0.00 H new ATOM 613 N ARG A 37 8.259 -24.844 20.011 1.00 0.00 N ATOM 614 CA ARG A 37 8.005 -24.297 21.341 1.00 0.00 C ATOM 615 C ARG A 37 8.632 -25.189 22.405 1.00 0.00 C ATOM 616 O ARG A 37 8.744 -26.402 22.220 1.00 0.00 O ATOM 617 CB ARG A 37 6.483 -24.193 21.559 1.00 0.00 C ATOM 618 CG ARG A 37 5.770 -23.274 20.542 1.00 0.00 C ATOM 619 CD ARG A 37 4.241 -23.373 20.640 1.00 0.00 C ATOM 620 NE ARG A 37 3.767 -23.158 22.015 1.00 0.00 N ATOM 621 CZ ARG A 37 3.413 -22.003 22.587 1.00 0.00 C ATOM 622 NH1 ARG A 37 3.231 -20.885 21.890 1.00 0.00 N ATOM 623 NH2 ARG A 37 3.253 -22.001 23.904 1.00 0.00 N ATOM 0 H ARG A 37 7.507 -25.445 19.674 1.00 0.00 H new ATOM 0 HA ARG A 37 8.452 -23.306 21.420 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.048 -25.191 21.501 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.294 -23.821 22.566 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.077 -22.242 20.711 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.085 -23.539 19.533 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.786 -22.635 19.979 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.917 -24.354 20.293 1.00 0.00 H new ATOM 0 HE ARG A 37 3.700 -23.989 22.602 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.362 -20.888 20.878 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.961 -20.025 22.367 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.400 -22.858 24.437 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.983 -21.142 24.384 1.00 0.00 H new ATOM 637 N ASP A 38 8.977 -24.610 23.555 1.00 0.00 N ATOM 638 CA ASP A 38 9.560 -25.358 24.673 1.00 0.00 C ATOM 639 C ASP A 38 8.578 -26.382 25.248 1.00 0.00 C ATOM 640 O ASP A 38 8.990 -27.442 25.719 1.00 0.00 O ATOM 641 CB ASP A 38 10.015 -24.390 25.771 1.00 0.00 C ATOM 642 CG ASP A 38 10.593 -25.145 26.981 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.724 -25.673 26.886 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.937 -25.181 28.046 1.00 0.00 O ATOM 0 H ASP A 38 8.862 -23.613 23.739 1.00 0.00 H new ATOM 0 HA ASP A 38 10.421 -25.906 24.291 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.768 -23.711 25.370 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.172 -23.778 26.091 1.00 0.00 H new ATOM 649 N ASP A 39 7.273 -26.097 25.157 1.00 0.00 N ATOM 650 CA ASP A 39 6.208 -27.022 25.550 1.00 0.00 C ATOM 651 C ASP A 39 6.105 -28.256 24.639 1.00 0.00 C ATOM 652 O ASP A 39 5.396 -29.205 24.983 1.00 0.00 O ATOM 653 CB ASP A 39 4.854 -26.303 25.684 1.00 0.00 C ATOM 654 CG ASP A 39 4.216 -25.831 24.374 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.150 -26.574 23.372 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.699 -24.691 24.356 1.00 0.00 O ATOM 0 H ASP A 39 6.925 -25.206 24.804 1.00 0.00 H new ATOM 0 HA ASP A 39 6.487 -27.399 26.534 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.156 -26.974 26.185 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.986 -25.438 26.334 1.00 0.00 H new ATOM 661 N GLY A 40 6.828 -28.279 23.512 1.00 0.00 N ATOM 662 CA GLY A 40 6.960 -29.438 22.640 1.00 0.00 C ATOM 663 C GLY A 40 6.243 -29.272 21.299 1.00 0.00 C ATOM 664 O GLY A 40 6.559 -29.994 20.351 1.00 0.00 O ATOM 0 H GLY A 40 7.348 -27.467 23.179 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.018 -29.628 22.457 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.562 -30.315 23.151 1.00 0.00 H new ATOM 668 N ARG A 41 5.275 -28.356 21.198 1.00 0.00 N ATOM 669 CA ARG A 41 4.497 -28.168 19.981 1.00 0.00 C ATOM 670 C ARG A 41 5.287 -27.338 18.980 1.00 0.00 C ATOM 671 O ARG A 41 6.103 -26.501 19.361 1.00 0.00 O ATOM 672 CB ARG A 41 3.164 -27.484 20.321 1.00 0.00 C ATOM 673 CG ARG A 41 2.272 -28.385 21.193 1.00 0.00 C ATOM 674 CD ARG A 41 1.025 -27.653 21.694 1.00 0.00 C ATOM 675 NE ARG A 41 1.375 -26.566 22.622 1.00 0.00 N ATOM 676 CZ ARG A 41 0.517 -25.686 23.153 1.00 0.00 C ATOM 677 NH1 ARG A 41 -0.781 -25.740 22.863 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.969 -24.752 23.978 1.00 0.00 N ATOM 0 H ARG A 41 5.013 -27.728 21.958 1.00 0.00 H new ATOM 0 HA ARG A 41 4.288 -29.139 19.532 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.358 -26.547 20.844 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.638 -27.232 19.400 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.971 -29.261 20.618 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.847 -28.746 22.046 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.475 -27.246 20.845 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.363 -28.360 22.193 1.00 0.00 H new ATOM 0 HE ARG A 41 2.357 -26.475 22.883 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.133 -26.458 22.229 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.424 -25.064 23.274 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.963 -24.708 24.203 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.323 -24.077 24.387 1.00 0.00 H new ATOM 692 N VAL A 42 4.988 -27.500 17.701 1.00 0.00 N ATOM 693 CA VAL A 42 5.362 -26.524 16.683 1.00 0.00 C ATOM 694 C VAL A 42 4.233 -25.496 16.656 1.00 0.00 C ATOM 695 O VAL A 42 3.072 -25.847 16.896 1.00 0.00 O ATOM 696 CB VAL A 42 5.543 -27.170 15.289 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.373 -26.270 14.359 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.212 -28.549 15.339 1.00 0.00 C ATOM 0 H VAL A 42 4.481 -28.307 17.338 1.00 0.00 H new ATOM 0 HA VAL A 42 6.324 -26.072 16.925 1.00 0.00 H new ATOM 0 HB VAL A 42 4.531 -27.292 14.902 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.482 -26.753 13.388 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.868 -25.312 14.234 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.358 -26.106 14.795 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.308 -28.944 14.328 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.201 -28.458 15.788 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.603 -29.227 15.937 1.00 0.00 H new ATOM 708 N GLU A 43 4.554 -24.255 16.304 1.00 0.00 N ATOM 709 CA GLU A 43 3.574 -23.227 16.003 1.00 0.00 C ATOM 710 C GLU A 43 4.003 -22.520 14.722 1.00 0.00 C ATOM 711 O GLU A 43 5.193 -22.304 14.480 1.00 0.00 O ATOM 712 CB GLU A 43 3.437 -22.288 17.208 1.00 0.00 C ATOM 713 CG GLU A 43 2.701 -20.979 16.891 1.00 0.00 C ATOM 714 CD GLU A 43 2.316 -20.185 18.146 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.957 -20.339 19.210 1.00 0.00 O ATOM 716 OE2 GLU A 43 1.349 -19.396 18.060 1.00 0.00 O ATOM 0 H GLU A 43 5.519 -23.934 16.220 1.00 0.00 H new ATOM 0 HA GLU A 43 2.584 -23.647 15.828 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.906 -22.809 18.005 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.431 -22.052 17.588 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.333 -20.359 16.256 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.800 -21.205 16.321 1.00 0.00 H new ATOM 723 N ILE A 44 3.024 -22.170 13.894 1.00 0.00 N ATOM 724 CA ILE A 44 3.205 -21.586 12.582 1.00 0.00 C ATOM 725 C ILE A 44 2.135 -20.503 12.444 1.00 0.00 C ATOM 726 O ILE A 44 1.028 -20.646 12.971 1.00 0.00 O ATOM 727 CB ILE A 44 3.031 -22.662 11.476 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.564 -24.074 11.835 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.677 -22.175 10.171 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.389 -25.124 10.729 1.00 0.00 C ATOM 0 H ILE A 44 2.041 -22.294 14.136 1.00 0.00 H new ATOM 0 HA ILE A 44 4.207 -21.171 12.471 1.00 0.00 H new ATOM 0 HB ILE A 44 1.954 -22.785 11.361 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.623 -23.997 12.080 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.054 -24.423 12.733 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.552 -22.933 9.398 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.198 -21.249 9.852 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.740 -21.996 10.336 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.790 -26.079 11.068 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.330 -25.236 10.498 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.923 -24.803 9.835 1.00 0.00 H new ATOM 742 N LEU A 45 2.431 -19.461 11.676 1.00 0.00 N ATOM 743 CA LEU A 45 1.469 -18.486 11.182 1.00 0.00 C ATOM 744 C LEU A 45 1.842 -18.325 9.715 1.00 0.00 C ATOM 745 O LEU A 45 3.022 -18.148 9.424 1.00 0.00 O ATOM 746 CB LEU A 45 1.601 -17.187 11.998 1.00 0.00 C ATOM 747 CG LEU A 45 0.438 -16.187 11.844 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.643 -15.045 12.846 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.308 -15.580 10.440 1.00 0.00 C ATOM 0 H LEU A 45 3.384 -19.266 11.369 1.00 0.00 H new ATOM 0 HA LEU A 45 0.424 -18.781 11.282 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.696 -17.448 13.052 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.526 -16.689 11.709 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.478 -16.748 12.028 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.172 -14.327 12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.656 -15.448 13.859 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.591 -14.547 12.641 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.534 -14.888 10.419 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.224 -15.045 10.189 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.142 -16.376 9.714 1.00 0.00 H new ATOM 761 N ALA A 46 0.895 -18.444 8.790 1.00 0.00 N ATOM 762 CA ALA A 46 1.168 -18.402 7.359 1.00 0.00 C ATOM 763 C ALA A 46 0.070 -17.613 6.657 1.00 0.00 C ATOM 764 O ALA A 46 -1.078 -17.611 7.102 1.00 0.00 O ATOM 765 CB ALA A 46 1.258 -19.830 6.812 1.00 0.00 C ATOM 0 H ALA A 46 -0.091 -18.573 9.015 1.00 0.00 H new ATOM 0 HA ALA A 46 2.121 -17.905 7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.462 -19.797 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.062 -20.364 7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.314 -20.346 6.986 1.00 0.00 H new ATOM 771 N GLU A 47 0.420 -16.966 5.550 1.00 0.00 N ATOM 772 CA GLU A 47 -0.436 -16.076 4.785 1.00 0.00 C ATOM 773 C GLU A 47 -0.167 -16.326 3.303 1.00 0.00 C ATOM 774 O GLU A 47 0.996 -16.447 2.900 1.00 0.00 O ATOM 775 CB GLU A 47 -0.139 -14.605 5.140 1.00 0.00 C ATOM 776 CG GLU A 47 -0.404 -14.316 6.623 1.00 0.00 C ATOM 777 CD GLU A 47 -0.491 -12.827 6.961 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.416 -12.035 6.620 1.00 0.00 O ATOM 779 OE2 GLU A 47 -1.444 -12.448 7.670 1.00 0.00 O ATOM 0 H GLU A 47 1.352 -17.054 5.146 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.483 -16.270 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.900 -14.376 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.757 -13.950 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.336 -14.800 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.390 -14.767 7.218 1.00 0.00 H new ATOM 786 N GLY A 48 -1.228 -16.405 2.497 1.00 0.00 N ATOM 787 CA GLY A 48 -1.124 -16.670 1.066 1.00 0.00 C ATOM 788 C GLY A 48 -2.486 -16.958 0.438 1.00 0.00 C ATOM 789 O GLY A 48 -3.510 -16.771 1.098 1.00 0.00 O ATOM 0 H GLY A 48 -2.187 -16.286 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.670 -15.812 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.462 -17.520 0.902 1.00 0.00 H new ATOM 793 N PRO A 49 -2.531 -17.390 -0.834 1.00 0.00 N ATOM 794 CA PRO A 49 -3.761 -17.866 -1.450 1.00 0.00 C ATOM 795 C PRO A 49 -4.180 -19.188 -0.796 1.00 0.00 C ATOM 796 O PRO A 49 -3.348 -20.060 -0.540 1.00 0.00 O ATOM 797 CB PRO A 49 -3.444 -18.008 -2.941 1.00 0.00 C ATOM 798 CG PRO A 49 -1.937 -18.258 -2.978 1.00 0.00 C ATOM 799 CD PRO A 49 -1.405 -17.520 -1.749 1.00 0.00 C ATOM 0 HA PRO A 49 -4.603 -17.187 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.996 -18.834 -3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.713 -17.108 -3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.709 -19.323 -2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.492 -17.875 -3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.589 -18.074 -1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.011 -16.541 -2.023 1.00 0.00 H new ATOM 807 N GLU A 50 -5.479 -19.342 -0.537 1.00 0.00 N ATOM 808 CA GLU A 50 -6.046 -20.409 0.288 1.00 0.00 C ATOM 809 C GLU A 50 -5.714 -21.816 -0.237 1.00 0.00 C ATOM 810 O GLU A 50 -5.590 -22.747 0.559 1.00 0.00 O ATOM 811 CB GLU A 50 -7.562 -20.149 0.400 1.00 0.00 C ATOM 812 CG GLU A 50 -8.366 -21.271 1.078 1.00 0.00 C ATOM 813 CD GLU A 50 -9.770 -20.838 1.551 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.371 -19.894 0.990 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.291 -21.426 2.525 1.00 0.00 O ATOM 0 H GLU A 50 -6.187 -18.708 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.594 -20.389 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.717 -19.225 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.963 -19.989 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.469 -22.103 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.803 -21.641 1.935 1.00 0.00 H new ATOM 822 N ASN A 51 -5.545 -22.011 -1.550 1.00 0.00 N ATOM 823 CA ASN A 51 -5.185 -23.326 -2.092 1.00 0.00 C ATOM 824 C ASN A 51 -3.752 -23.715 -1.724 1.00 0.00 C ATOM 825 O ASN A 51 -3.495 -24.831 -1.265 1.00 0.00 O ATOM 826 CB ASN A 51 -5.356 -23.351 -3.617 1.00 0.00 C ATOM 827 CG ASN A 51 -4.937 -24.711 -4.175 1.00 0.00 C ATOM 828 OD1 ASN A 51 -5.590 -25.721 -3.928 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.845 -24.776 -4.920 1.00 0.00 N ATOM 0 H ASN A 51 -5.651 -21.280 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.861 -24.055 -1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.395 -23.148 -3.877 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.754 -22.563 -4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.537 -25.673 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.311 -23.929 -5.118 1.00 0.00 H new ATOM 836 N ALA A 52 -2.813 -22.782 -1.899 1.00 0.00 N ATOM 837 CA ALA A 52 -1.417 -23.001 -1.538 1.00 0.00 C ATOM 838 C ALA A 52 -1.296 -23.147 -0.023 1.00 0.00 C ATOM 839 O ALA A 52 -0.546 -23.995 0.455 1.00 0.00 O ATOM 840 CB ALA A 52 -0.549 -21.837 -2.028 1.00 0.00 C ATOM 0 H ALA A 52 -3.001 -21.860 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.067 -23.916 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.490 -22.016 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.626 -21.757 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.892 -20.909 -1.570 1.00 0.00 H new ATOM 846 N LEU A 53 -2.060 -22.351 0.726 1.00 0.00 N ATOM 847 CA LEU A 53 -2.071 -22.362 2.178 1.00 0.00 C ATOM 848 C LEU A 53 -2.521 -23.729 2.691 1.00 0.00 C ATOM 849 O LEU A 53 -1.853 -24.329 3.530 1.00 0.00 O ATOM 850 CB LEU A 53 -3.015 -21.247 2.651 1.00 0.00 C ATOM 851 CG LEU A 53 -2.774 -20.780 4.092 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.427 -20.069 4.261 1.00 0.00 C ATOM 853 CD2 LEU A 53 -3.895 -19.809 4.465 1.00 0.00 C ATOM 0 H LEU A 53 -2.701 -21.667 0.324 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.071 -22.183 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.911 -20.392 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.044 -21.597 2.563 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.762 -21.658 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.307 -19.759 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.620 -20.749 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.395 -19.192 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.749 -19.460 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.880 -18.957 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.856 -20.317 4.389 1.00 0.00 H new ATOM 865 N GLN A 54 -3.615 -24.261 2.142 1.00 0.00 N ATOM 866 CA GLN A 54 -4.085 -25.604 2.462 1.00 0.00 C ATOM 867 C GLN A 54 -3.028 -26.650 2.107 1.00 0.00 C ATOM 868 O GLN A 54 -2.762 -27.536 2.914 1.00 0.00 O ATOM 869 CB GLN A 54 -5.384 -25.898 1.707 1.00 0.00 C ATOM 870 CG GLN A 54 -6.608 -25.260 2.377 1.00 0.00 C ATOM 871 CD GLN A 54 -7.835 -25.402 1.482 1.00 0.00 C ATOM 872 OE1 GLN A 54 -8.722 -26.220 1.719 1.00 0.00 O ATOM 873 NE2 GLN A 54 -7.888 -24.625 0.413 1.00 0.00 N ATOM 0 H GLN A 54 -4.198 -23.770 1.464 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.272 -25.655 3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.299 -25.528 0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.528 -26.977 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.794 -25.737 3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.414 -24.206 2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.142 -23.953 0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.675 -24.698 -0.232 1.00 0.00 H new ATOM 882 N SER A 55 -2.398 -26.546 0.936 1.00 0.00 N ATOM 883 CA SER A 55 -1.373 -27.500 0.512 1.00 0.00 C ATOM 884 C SER A 55 -0.163 -27.477 1.465 1.00 0.00 C ATOM 885 O SER A 55 0.392 -28.521 1.816 1.00 0.00 O ATOM 886 CB SER A 55 -0.968 -27.188 -0.935 1.00 0.00 C ATOM 887 OG SER A 55 -2.097 -27.164 -1.796 1.00 0.00 O ATOM 0 H SER A 55 -2.582 -25.805 0.260 1.00 0.00 H new ATOM 0 HA SER A 55 -1.778 -28.511 0.552 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.460 -26.224 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.258 -27.937 -1.285 1.00 0.00 H new ATOM 0 HG SER A 55 -2.607 -26.341 -1.643 1.00 0.00 H new ATOM 893 N PHE A 56 0.220 -26.290 1.939 1.00 0.00 N ATOM 894 CA PHE A 56 1.244 -26.125 2.955 1.00 0.00 C ATOM 895 C PHE A 56 0.821 -26.825 4.249 1.00 0.00 C ATOM 896 O PHE A 56 1.628 -27.560 4.811 1.00 0.00 O ATOM 897 CB PHE A 56 1.503 -24.628 3.149 1.00 0.00 C ATOM 898 CG PHE A 56 2.317 -24.239 4.364 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.722 -24.282 4.310 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.675 -23.759 5.524 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.480 -23.802 5.389 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.436 -23.271 6.597 1.00 0.00 C ATOM 903 CZ PHE A 56 3.839 -23.272 6.520 1.00 0.00 C ATOM 0 H PHE A 56 -0.182 -25.409 1.619 1.00 0.00 H new ATOM 0 HA PHE A 56 2.178 -26.592 2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.012 -24.251 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.541 -24.119 3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.217 -24.684 3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.597 -23.767 5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.559 -23.840 5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.944 -22.895 7.482 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.424 -22.865 7.331 1.00 0.00 H new ATOM 913 N VAL A 57 -0.431 -26.677 4.701 1.00 0.00 N ATOM 914 CA VAL A 57 -0.900 -27.408 5.876 1.00 0.00 C ATOM 915 C VAL A 57 -0.831 -28.917 5.621 1.00 0.00 C ATOM 916 O VAL A 57 -0.334 -29.632 6.486 1.00 0.00 O ATOM 917 CB VAL A 57 -2.297 -26.939 6.336 1.00 0.00 C ATOM 918 CG1 VAL A 57 -2.798 -27.735 7.553 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.251 -25.463 6.748 1.00 0.00 C ATOM 0 H VAL A 57 -1.127 -26.065 4.275 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.233 -27.184 6.709 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.971 -27.095 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.784 -27.373 7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.861 -28.792 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.104 -27.605 8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.242 -25.144 7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.544 -25.336 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.934 -24.858 5.899 1.00 0.00 H new ATOM 929 N GLU A 58 -1.251 -29.411 4.450 1.00 0.00 N ATOM 930 CA GLU A 58 -1.181 -30.834 4.106 1.00 0.00 C ATOM 931 C GLU A 58 0.258 -31.352 4.250 1.00 0.00 C ATOM 932 O GLU A 58 0.475 -32.448 4.766 1.00 0.00 O ATOM 933 CB GLU A 58 -1.706 -31.086 2.680 1.00 0.00 C ATOM 934 CG GLU A 58 -3.228 -30.936 2.524 1.00 0.00 C ATOM 935 CD GLU A 58 -3.994 -32.168 3.031 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.089 -33.179 2.297 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.533 -32.125 4.159 1.00 0.00 O ATOM 0 H GLU A 58 -1.651 -28.831 3.712 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.819 -31.381 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.214 -30.393 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.420 -32.092 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.561 -30.054 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.468 -30.769 1.474 1.00 0.00 H new ATOM 944 N ALA A 59 1.242 -30.544 3.848 1.00 0.00 N ATOM 945 CA ALA A 59 2.654 -30.862 4.017 1.00 0.00 C ATOM 946 C ALA A 59 3.056 -30.865 5.499 1.00 0.00 C ATOM 947 O ALA A 59 3.750 -31.779 5.948 1.00 0.00 O ATOM 948 CB ALA A 59 3.524 -29.890 3.211 1.00 0.00 C ATOM 0 H ALA A 59 1.076 -29.646 3.394 1.00 0.00 H new ATOM 0 HA ALA A 59 2.820 -31.869 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.575 -30.142 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.269 -29.964 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.347 -28.871 3.556 1.00 0.00 H new ATOM 954 N VAL A 60 2.592 -29.889 6.283 1.00 0.00 N ATOM 955 CA VAL A 60 2.818 -29.838 7.727 1.00 0.00 C ATOM 956 C VAL A 60 2.243 -31.088 8.413 1.00 0.00 C ATOM 957 O VAL A 60 2.834 -31.546 9.390 1.00 0.00 O ATOM 958 CB VAL A 60 2.261 -28.512 8.301 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.260 -28.467 9.834 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.084 -27.308 7.811 1.00 0.00 C ATOM 0 H VAL A 60 2.044 -29.105 5.929 1.00 0.00 H new ATOM 0 HA VAL A 60 3.888 -29.848 7.932 1.00 0.00 H new ATOM 0 HB VAL A 60 1.232 -28.461 7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.858 -27.511 10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.642 -29.277 10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.280 -28.581 10.202 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.671 -26.390 8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.119 -27.420 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.046 -27.260 6.723 1.00 0.00 H new ATOM 970 N LYS A 61 1.156 -31.694 7.906 1.00 0.00 N ATOM 971 CA LYS A 61 0.634 -32.938 8.484 1.00 0.00 C ATOM 972 C LYS A 61 1.658 -34.071 8.396 1.00 0.00 C ATOM 973 O LYS A 61 1.684 -34.922 9.284 1.00 0.00 O ATOM 974 CB LYS A 61 -0.684 -33.406 7.846 1.00 0.00 C ATOM 975 CG LYS A 61 -1.765 -32.327 7.753 1.00 0.00 C ATOM 976 CD LYS A 61 -3.129 -32.899 7.355 1.00 0.00 C ATOM 977 CE LYS A 61 -4.183 -31.787 7.428 1.00 0.00 C ATOM 978 NZ LYS A 61 -5.442 -32.173 6.749 1.00 0.00 N ATOM 0 H LYS A 61 0.628 -31.345 7.106 1.00 0.00 H new ATOM 0 HA LYS A 61 0.432 -32.700 9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.475 -33.779 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.074 -34.244 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.853 -31.821 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.462 -31.576 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.085 -33.309 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.401 -33.719 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.391 -31.552 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.787 -30.881 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.103 -31.371 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.238 -32.438 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.869 -32.982 7.244 1.00 0.00 H new ATOM 992 N ASN A 62 2.486 -34.109 7.345 1.00 0.00 N ATOM 993 CA ASN A 62 3.594 -35.055 7.272 1.00 0.00 C ATOM 994 C ASN A 62 4.688 -34.655 8.259 1.00 0.00 C ATOM 995 O ASN A 62 5.217 -35.500 8.981 1.00 0.00 O ATOM 996 CB ASN A 62 4.182 -35.136 5.854 1.00 0.00 C ATOM 997 CG ASN A 62 5.348 -36.123 5.824 1.00 0.00 C ATOM 998 OD1 ASN A 62 5.145 -37.329 5.711 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.578 -35.651 5.936 1.00 0.00 N ATOM 0 H ASN A 62 2.405 -33.493 6.536 1.00 0.00 H new ATOM 0 HA ASN A 62 3.204 -36.039 7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.411 -35.450 5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.522 -34.150 5.536 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.372 -36.291 5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.732 -34.647 6.029 1.00 0.00 H new ATOM 1006 N GLY A 63 5.018 -33.364 8.282 1.00 0.00 N ATOM 1007 CA GLY A 63 6.166 -32.842 9.004 1.00 0.00 C ATOM 1008 C GLY A 63 7.426 -32.995 8.157 1.00 0.00 C ATOM 1009 O GLY A 63 7.343 -33.077 6.926 1.00 0.00 O ATOM 0 H GLY A 63 4.485 -32.646 7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.006 -31.792 9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.285 -33.374 9.948 1.00 0.00 H new ATOM 1013 N SER A 64 8.591 -33.022 8.805 1.00 0.00 N ATOM 1014 CA SER A 64 9.857 -33.310 8.139 1.00 0.00 C ATOM 1015 C SER A 64 9.842 -34.730 7.537 1.00 0.00 C ATOM 1016 O SER A 64 8.993 -35.550 7.911 1.00 0.00 O ATOM 1017 CB SER A 64 11.009 -33.145 9.144 1.00 0.00 C ATOM 1018 OG SER A 64 11.039 -34.205 10.079 1.00 0.00 O ATOM 0 H SER A 64 8.681 -32.845 9.805 1.00 0.00 H new ATOM 0 HA SER A 64 10.003 -32.608 7.318 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.957 -33.105 8.608 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.900 -32.197 9.671 1.00 0.00 H new ATOM 0 HG SER A 64 10.208 -34.207 10.598 1.00 0.00 H new ATOM 1024 N PRO A 65 10.826 -35.091 6.694 1.00 0.00 N ATOM 1025 CA PRO A 65 11.090 -36.477 6.306 1.00 0.00 C ATOM 1026 C PRO A 65 11.301 -37.449 7.485 1.00 0.00 C ATOM 1027 O PRO A 65 11.355 -38.661 7.257 1.00 0.00 O ATOM 1028 CB PRO A 65 12.343 -36.426 5.421 1.00 0.00 C ATOM 1029 CG PRO A 65 12.363 -34.996 4.890 1.00 0.00 C ATOM 1030 CD PRO A 65 11.785 -34.202 6.057 1.00 0.00 C ATOM 0 HA PRO A 65 10.214 -36.874 5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.244 -36.652 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.288 -37.152 4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.372 -34.671 4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.760 -34.889 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.568 -33.904 6.755 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.303 -33.288 5.710 1.00 0.00 H new ATOM 1038 N PHE A 66 11.435 -36.954 8.723 1.00 0.00 N ATOM 1039 CA PHE A 66 11.803 -37.728 9.905 1.00 0.00 C ATOM 1040 C PHE A 66 10.761 -37.590 11.024 1.00 0.00 C ATOM 1041 O PHE A 66 10.942 -38.175 12.094 1.00 0.00 O ATOM 1042 CB PHE A 66 13.185 -37.261 10.395 1.00 0.00 C ATOM 1043 CG PHE A 66 14.206 -37.004 9.300 1.00 0.00 C ATOM 1044 CD1 PHE A 66 14.859 -38.080 8.669 1.00 0.00 C ATOM 1045 CD2 PHE A 66 14.475 -35.684 8.885 1.00 0.00 C ATOM 1046 CE1 PHE A 66 15.777 -37.837 7.631 1.00 0.00 C ATOM 1047 CE2 PHE A 66 15.393 -35.443 7.848 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.045 -36.519 7.221 1.00 0.00 C ATOM 0 H PHE A 66 11.283 -35.967 8.931 1.00 0.00 H new ATOM 0 HA PHE A 66 11.840 -38.783 9.633 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.058 -36.346 10.973 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.586 -38.014 11.074 1.00 0.00 H new ATOM 0 HD1 PHE A 66 14.655 -39.093 8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.975 -34.856 9.365 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.277 -38.664 7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.597 -34.430 7.533 1.00 0.00 H new ATOM 0 HZ PHE A 66 16.751 -36.334 6.425 1.00 0.00 H new ATOM 1058 N SER A 67 9.697 -36.808 10.816 1.00 0.00 N ATOM 1059 CA SER A 67 8.664 -36.559 11.806 1.00 0.00 C ATOM 1060 C SER A 67 7.698 -37.736 11.934 1.00 0.00 C ATOM 1061 O SER A 67 7.597 -38.599 11.057 1.00 0.00 O ATOM 1062 CB SER A 67 7.884 -35.308 11.392 1.00 0.00 C ATOM 1063 OG SER A 67 8.727 -34.177 11.489 1.00 0.00 O ATOM 0 H SER A 67 9.534 -36.324 9.933 1.00 0.00 H new ATOM 0 HA SER A 67 9.144 -36.420 12.775 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.517 -35.416 10.371 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.011 -35.181 12.033 1.00 0.00 H new ATOM 0 HG SER A 67 8.187 -33.381 11.678 1.00 0.00 H new ATOM 1069 N LYS A 68 6.913 -37.694 13.011 1.00 0.00 N ATOM 1070 CA LYS A 68 5.662 -38.421 13.168 1.00 0.00 C ATOM 1071 C LYS A 68 4.739 -37.479 13.929 1.00 0.00 C ATOM 1072 O LYS A 68 4.747 -37.454 15.160 1.00 0.00 O ATOM 1073 CB LYS A 68 5.884 -39.777 13.870 1.00 0.00 C ATOM 1074 CG LYS A 68 4.594 -40.573 14.146 1.00 0.00 C ATOM 1075 CD LYS A 68 3.769 -40.882 12.887 1.00 0.00 C ATOM 1076 CE LYS A 68 2.555 -41.744 13.260 1.00 0.00 C ATOM 1077 NZ LYS A 68 1.718 -42.078 12.080 1.00 0.00 N ATOM 0 H LYS A 68 7.144 -37.129 13.828 1.00 0.00 H new ATOM 0 HA LYS A 68 5.214 -38.691 12.212 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.547 -40.386 13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.397 -39.602 14.816 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.856 -41.511 14.636 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.975 -40.011 14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.438 -39.954 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.386 -41.404 12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.897 -42.665 13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.948 -41.215 13.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.911 -42.661 12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.368 -41.201 11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.288 -42.606 11.389 1.00 0.00 H new ATOM 1091 N VAL A 69 4.013 -36.639 13.197 1.00 0.00 N ATOM 1092 CA VAL A 69 2.943 -35.824 13.760 1.00 0.00 C ATOM 1093 C VAL A 69 1.902 -36.782 14.360 1.00 0.00 C ATOM 1094 O VAL A 69 1.615 -37.830 13.773 1.00 0.00 O ATOM 1095 CB VAL A 69 2.351 -34.935 12.642 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.151 -34.102 13.115 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.411 -33.976 12.070 1.00 0.00 C ATOM 0 H VAL A 69 4.151 -36.505 12.195 1.00 0.00 H new ATOM 0 HA VAL A 69 3.300 -35.159 14.547 1.00 0.00 H new ATOM 0 HB VAL A 69 2.012 -35.626 11.870 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.778 -33.498 12.287 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.361 -34.767 13.464 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.461 -33.448 13.930 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.964 -33.365 11.286 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.784 -33.330 12.865 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.237 -34.553 11.653 1.00 0.00 H new ATOM 1107 N THR A 70 1.317 -36.412 15.499 1.00 0.00 N ATOM 1108 CA THR A 70 0.257 -37.165 16.161 1.00 0.00 C ATOM 1109 C THR A 70 -0.991 -36.294 16.372 1.00 0.00 C ATOM 1110 O THR A 70 -2.084 -36.837 16.548 1.00 0.00 O ATOM 1111 CB THR A 70 0.791 -37.759 17.479 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.297 -36.745 18.327 1.00 0.00 O ATOM 1113 CG2 THR A 70 1.936 -38.747 17.229 1.00 0.00 C ATOM 0 H THR A 70 1.575 -35.560 15.997 1.00 0.00 H new ATOM 0 HA THR A 70 -0.052 -37.992 15.522 1.00 0.00 H new ATOM 0 HB THR A 70 -0.053 -38.268 17.945 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.628 -37.148 19.157 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.287 -39.145 18.181 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.581 -39.565 16.602 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.756 -38.234 16.726 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.865 -34.963 16.306 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.985 -34.026 16.369 1.00 0.00 C ATOM 1123 C ASP A 71 -1.610 -32.744 15.632 1.00 0.00 C ATOM 1124 O ASP A 71 -0.438 -32.364 15.589 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.332 -33.701 17.829 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.500 -32.706 17.920 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.620 -33.053 17.482 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.307 -31.585 18.439 1.00 0.00 O ATOM 0 H ASP A 71 0.039 -34.501 16.205 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.856 -34.481 15.898 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.592 -34.619 18.356 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.457 -33.284 18.328 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.608 -32.075 15.058 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.469 -30.807 14.359 1.00 0.00 C ATOM 1135 C ILE A 72 -3.793 -30.049 14.536 1.00 0.00 C ATOM 1136 O ILE A 72 -4.862 -30.668 14.551 1.00 0.00 O ATOM 1137 CB ILE A 72 -2.072 -31.060 12.881 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.771 -29.727 12.161 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -3.096 -31.922 12.112 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.285 -29.892 10.715 1.00 0.00 C ATOM 0 H ILE A 72 -3.569 -32.417 15.069 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.668 -30.189 14.766 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.156 -31.651 12.895 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.672 -29.114 12.162 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.015 -29.183 12.727 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.757 -32.060 11.085 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.191 -32.894 12.597 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.064 -31.422 12.110 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.096 -28.910 10.280 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.365 -30.477 10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.048 -30.406 10.131 1.00 0.00 H new ATOM 1152 N SER A 73 -3.726 -28.724 14.668 1.00 0.00 N ATOM 1153 CA SER A 73 -4.876 -27.834 14.806 1.00 0.00 C ATOM 1154 C SER A 73 -4.617 -26.572 13.981 1.00 0.00 C ATOM 1155 O SER A 73 -3.460 -26.188 13.793 1.00 0.00 O ATOM 1156 CB SER A 73 -5.080 -27.469 16.285 1.00 0.00 C ATOM 1157 OG SER A 73 -5.291 -28.615 17.095 1.00 0.00 O ATOM 0 H SER A 73 -2.837 -28.224 14.682 1.00 0.00 H new ATOM 0 HA SER A 73 -5.778 -28.330 14.446 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.207 -26.926 16.647 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.934 -26.798 16.378 1.00 0.00 H new ATOM 0 HG SER A 73 -5.414 -28.339 18.027 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.683 -25.922 13.507 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.624 -24.751 12.636 1.00 0.00 C ATOM 1165 C VAL A 74 -6.653 -23.730 13.137 1.00 0.00 C ATOM 1166 O VAL A 74 -7.736 -24.102 13.599 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.889 -25.160 11.163 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.767 -23.973 10.191 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.930 -26.261 10.682 1.00 0.00 C ATOM 0 H VAL A 74 -6.638 -26.206 13.727 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.632 -24.301 12.666 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.913 -25.533 11.157 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.962 -24.314 9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.492 -23.205 10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.761 -23.558 10.248 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.155 -26.513 9.646 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.902 -25.905 10.754 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.051 -27.147 11.305 1.00 0.00 H new ATOM 1179 N THR A 75 -6.321 -22.447 13.004 1.00 0.00 N ATOM 1180 CA THR A 75 -7.216 -21.304 13.171 1.00 0.00 C ATOM 1181 C THR A 75 -6.978 -20.399 11.951 1.00 0.00 C ATOM 1182 O THR A 75 -5.937 -20.521 11.297 1.00 0.00 O ATOM 1183 CB THR A 75 -6.915 -20.591 14.509 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.682 -21.518 15.558 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.053 -19.670 14.966 1.00 0.00 C ATOM 0 H THR A 75 -5.371 -22.162 12.764 1.00 0.00 H new ATOM 0 HA THR A 75 -8.265 -21.596 13.217 1.00 0.00 H new ATOM 0 HB THR A 75 -6.023 -19.997 14.311 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.493 -21.032 16.388 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.782 -19.198 15.911 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.224 -18.901 14.212 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.963 -20.255 15.100 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.904 -19.498 11.616 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.825 -18.688 10.401 1.00 0.00 C ATOM 1195 C GLU A 76 -8.308 -17.257 10.647 1.00 0.00 C ATOM 1196 O GLU A 76 -9.043 -17.000 11.607 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.612 -19.368 9.261 1.00 0.00 C ATOM 1198 CG GLU A 76 -10.136 -19.374 9.440 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.838 -20.066 8.259 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -11.157 -19.383 7.259 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -11.091 -21.291 8.328 1.00 0.00 O ATOM 0 H GLU A 76 -8.731 -19.310 12.182 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.780 -18.617 10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.373 -18.865 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.268 -20.398 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.393 -19.885 10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.497 -18.350 9.530 1.00 0.00 H new ATOM 1208 N SER A 77 -7.931 -16.355 9.738 1.00 0.00 N ATOM 1209 CA SER A 77 -8.374 -14.966 9.699 1.00 0.00 C ATOM 1210 C SER A 77 -8.537 -14.597 8.224 1.00 0.00 C ATOM 1211 O SER A 77 -7.602 -14.750 7.436 1.00 0.00 O ATOM 1212 CB SER A 77 -7.348 -14.038 10.375 1.00 0.00 C ATOM 1213 OG SER A 77 -6.878 -14.538 11.616 1.00 0.00 O ATOM 0 H SER A 77 -7.285 -16.584 8.983 1.00 0.00 H new ATOM 0 HA SER A 77 -9.312 -14.848 10.241 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.501 -13.893 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.801 -13.059 10.533 1.00 0.00 H new ATOM 0 HG SER A 77 -5.900 -14.483 11.641 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.722 -14.119 7.831 1.00 0.00 N ATOM 1220 CA ARG A 78 -10.055 -13.810 6.434 1.00 0.00 C ATOM 1221 C ARG A 78 -9.488 -12.450 5.987 1.00 0.00 C ATOM 1222 O ARG A 78 -9.835 -11.968 4.908 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.586 -13.924 6.242 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.072 -15.387 6.282 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.838 -16.110 4.945 1.00 0.00 C ATOM 1226 NE ARG A 78 -11.717 -17.568 5.117 1.00 0.00 N ATOM 1227 CZ ARG A 78 -11.450 -18.459 4.155 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -11.401 -18.115 2.871 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -11.208 -19.709 4.514 1.00 0.00 N ATOM 0 H ARG A 78 -10.486 -13.933 8.480 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.575 -14.539 5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.091 -13.354 7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.865 -13.476 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.552 -15.920 7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.134 -15.409 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.663 -15.893 4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.932 -15.724 4.478 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.849 -17.934 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.570 -17.148 2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.195 -18.819 2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.228 -19.969 5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.001 -20.412 3.805 1.00 0.00 H new ATOM 1243 N SER A 79 -8.600 -11.854 6.783 1.00 0.00 N ATOM 1244 CA SER A 79 -7.837 -10.656 6.467 1.00 0.00 C ATOM 1245 C SER A 79 -6.410 -10.889 6.974 1.00 0.00 C ATOM 1246 O SER A 79 -6.219 -11.548 8.002 1.00 0.00 O ATOM 1247 CB SER A 79 -8.475 -9.433 7.144 1.00 0.00 C ATOM 1248 OG SER A 79 -9.853 -9.302 6.815 1.00 0.00 O ATOM 0 H SER A 79 -8.386 -12.216 7.712 1.00 0.00 H new ATOM 0 HA SER A 79 -7.828 -10.461 5.395 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.367 -9.519 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.942 -8.532 6.841 1.00 0.00 H new ATOM 0 HG SER A 79 -10.223 -8.514 7.265 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.411 -10.390 6.240 1.00 0.00 N ATOM 1255 CA LEU A 80 -4.003 -10.615 6.561 1.00 0.00 C ATOM 1256 C LEU A 80 -3.516 -9.598 7.593 1.00 0.00 C ATOM 1257 O LEU A 80 -4.058 -8.496 7.703 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.119 -10.491 5.306 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.446 -11.430 4.133 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -2.304 -11.353 3.113 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -3.656 -12.883 4.568 1.00 0.00 C ATOM 0 H LEU A 80 -5.558 -9.819 5.407 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.924 -11.625 6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.181 -9.464 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.084 -10.663 5.601 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.388 -11.099 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.521 -12.014 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.206 -10.329 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.372 -11.661 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.883 -13.495 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.749 -13.255 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.485 -12.935 5.274 1.00 0.00 H new ATOM 1273 N GLU A 81 -2.426 -9.940 8.278 1.00 0.00 N ATOM 1274 CA GLU A 81 -1.544 -8.975 8.919 1.00 0.00 C ATOM 1275 C GLU A 81 -0.628 -8.356 7.855 1.00 0.00 C ATOM 1276 O GLU A 81 -0.381 -7.148 7.879 1.00 0.00 O ATOM 1277 CB GLU A 81 -0.745 -9.669 10.035 1.00 0.00 C ATOM 1278 CG GLU A 81 0.031 -8.650 10.883 1.00 0.00 C ATOM 1279 CD GLU A 81 0.723 -9.295 12.097 1.00 0.00 C ATOM 1280 OE1 GLU A 81 0.028 -9.741 13.038 1.00 0.00 O ATOM 1281 OE2 GLU A 81 1.974 -9.314 12.146 1.00 0.00 O ATOM 0 H GLU A 81 -2.130 -10.908 8.403 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.121 -8.173 9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.424 -10.234 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.050 -10.385 9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.780 -8.160 10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.653 -7.875 11.229 1.00 0.00 H new ATOM 1288 N GLY A 82 -0.182 -9.161 6.884 1.00 0.00 N ATOM 1289 CA GLY A 82 0.544 -8.701 5.706 1.00 0.00 C ATOM 1290 C GLY A 82 2.051 -8.879 5.876 1.00 0.00 C ATOM 1291 O GLY A 82 2.804 -7.919 5.697 1.00 0.00 O ATOM 0 H GLY A 82 -0.321 -10.171 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.207 -9.255 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.318 -7.650 5.525 1.00 0.00 H new ATOM 1295 N HIS A 83 2.492 -10.076 6.276 1.00 0.00 N ATOM 1296 CA HIS A 83 3.905 -10.412 6.404 1.00 0.00 C ATOM 1297 C HIS A 83 4.622 -10.213 5.058 1.00 0.00 C ATOM 1298 O HIS A 83 4.050 -10.481 3.997 1.00 0.00 O ATOM 1299 CB HIS A 83 4.050 -11.865 6.882 1.00 0.00 C ATOM 1300 CG HIS A 83 3.570 -12.116 8.289 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.260 -12.215 8.689 1.00 0.00 N ATOM 1302 CD2 HIS A 83 4.348 -12.359 9.389 1.00 0.00 C ATOM 1303 CE1 HIS A 83 2.242 -12.501 10.000 1.00 0.00 C ATOM 1304 NE2 HIS A 83 3.496 -12.605 10.474 1.00 0.00 N ATOM 0 H HIS A 83 1.867 -10.844 6.522 1.00 0.00 H new ATOM 0 HA HIS A 83 4.366 -9.752 7.139 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.497 -12.514 6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.099 -12.153 6.814 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.442 -12.092 8.092 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.428 -12.361 9.416 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.347 -12.629 10.591 1.00 0.00 H new ATOM 1312 N HIS A 84 5.883 -9.771 5.102 1.00 0.00 N ATOM 1313 CA HIS A 84 6.682 -9.502 3.904 1.00 0.00 C ATOM 1314 C HIS A 84 7.404 -10.761 3.392 1.00 0.00 C ATOM 1315 O HIS A 84 7.673 -10.878 2.195 1.00 0.00 O ATOM 1316 CB HIS A 84 7.692 -8.390 4.230 1.00 0.00 C ATOM 1317 CG HIS A 84 8.494 -7.921 3.040 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.844 -8.113 2.830 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.017 -7.218 1.964 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.169 -7.543 1.657 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.086 -6.980 1.087 1.00 0.00 N ATOM 0 H HIS A 84 6.380 -9.589 5.974 1.00 0.00 H new ATOM 0 HA HIS A 84 6.015 -9.182 3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.157 -7.540 4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.377 -8.749 4.998 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.995 -6.902 1.817 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.161 -7.537 1.230 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.050 -6.482 0.198 1.00 0.00 H new ATOM 1329 N ARG A 85 7.723 -11.704 4.285 1.00 0.00 N ATOM 1330 CA ARG A 85 8.490 -12.923 4.008 1.00 0.00 C ATOM 1331 C ARG A 85 8.065 -14.008 4.997 1.00 0.00 C ATOM 1332 O ARG A 85 7.192 -13.750 5.829 1.00 0.00 O ATOM 1333 CB ARG A 85 10.003 -12.627 4.096 1.00 0.00 C ATOM 1334 CG ARG A 85 10.450 -12.026 5.447 1.00 0.00 C ATOM 1335 CD ARG A 85 11.955 -12.205 5.678 1.00 0.00 C ATOM 1336 NE ARG A 85 12.272 -13.621 5.933 1.00 0.00 N ATOM 1337 CZ ARG A 85 13.275 -14.333 5.411 1.00 0.00 C ATOM 1338 NH1 ARG A 85 14.248 -13.744 4.721 1.00 0.00 N ATOM 1339 NH2 ARG A 85 13.285 -15.649 5.582 1.00 0.00 N ATOM 0 H ARG A 85 7.441 -11.635 5.263 1.00 0.00 H new ATOM 0 HA ARG A 85 8.288 -13.277 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.554 -13.551 3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.275 -11.938 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.202 -10.965 5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.898 -12.502 6.257 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.507 -11.854 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.274 -11.596 6.524 1.00 0.00 H new ATOM 0 HE ARG A 85 11.657 -14.113 6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.236 -12.733 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.006 -14.303 4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.535 -16.101 6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.043 -16.208 5.191 1.00 0.00 H new ATOM 1353 N PHE A 86 8.663 -15.200 4.936 1.00 0.00 N ATOM 1354 CA PHE A 86 8.394 -16.275 5.884 1.00 0.00 C ATOM 1355 C PHE A 86 9.658 -16.540 6.697 1.00 0.00 C ATOM 1356 O PHE A 86 10.724 -16.758 6.108 1.00 0.00 O ATOM 1357 CB PHE A 86 7.901 -17.532 5.159 1.00 0.00 C ATOM 1358 CG PHE A 86 7.335 -18.560 6.118 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.197 -19.451 6.783 1.00 0.00 C ATOM 1360 CD2 PHE A 86 5.950 -18.612 6.371 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.681 -20.383 7.697 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.436 -19.536 7.296 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.301 -20.421 7.955 1.00 0.00 C ATOM 0 H PHE A 86 9.350 -15.444 4.223 1.00 0.00 H new ATOM 0 HA PHE A 86 7.596 -15.979 6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.136 -17.255 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.726 -17.974 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.259 -19.418 6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.282 -17.940 5.853 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.344 -21.070 8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.376 -19.565 7.499 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.905 -21.134 8.663 1.00 0.00 H new ATOM 1373 N SER A 87 9.559 -16.543 8.028 1.00 0.00 N ATOM 1374 CA SER A 87 10.743 -16.501 8.888 1.00 0.00 C ATOM 1375 C SER A 87 10.690 -17.543 10.007 1.00 0.00 C ATOM 1376 O SER A 87 9.657 -17.760 10.635 1.00 0.00 O ATOM 1377 CB SER A 87 10.871 -15.089 9.469 1.00 0.00 C ATOM 1378 OG SER A 87 10.863 -14.127 8.423 1.00 0.00 O ATOM 0 H SER A 87 8.673 -16.574 8.533 1.00 0.00 H new ATOM 0 HA SER A 87 11.618 -16.745 8.286 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.049 -14.895 10.158 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.794 -15.006 10.043 1.00 0.00 H new ATOM 0 HG SER A 87 10.944 -13.228 8.805 1.00 0.00 H new ATOM 1384 N ILE A 88 11.827 -18.175 10.293 1.00 0.00 N ATOM 1385 CA ILE A 88 12.000 -18.947 11.518 1.00 0.00 C ATOM 1386 C ILE A 88 12.215 -17.907 12.626 1.00 0.00 C ATOM 1387 O ILE A 88 13.024 -16.989 12.456 1.00 0.00 O ATOM 1388 CB ILE A 88 13.187 -19.926 11.358 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.906 -20.952 10.232 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.472 -20.673 12.673 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.183 -21.521 9.606 1.00 0.00 C ATOM 0 H ILE A 88 12.647 -18.166 9.686 1.00 0.00 H new ATOM 0 HA ILE A 88 11.141 -19.573 11.759 1.00 0.00 H new ATOM 0 HB ILE A 88 14.064 -19.335 11.093 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.310 -21.771 10.635 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.309 -20.475 9.455 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.311 -21.354 12.530 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.717 -19.954 13.454 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.590 -21.241 12.967 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.919 -22.233 8.824 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.769 -20.710 9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.771 -22.025 10.373 1.00 0.00 H new ATOM 1403 N VAL A 89 11.502 -18.039 13.745 1.00 0.00 N ATOM 1404 CA VAL A 89 11.562 -17.112 14.872 1.00 0.00 C ATOM 1405 C VAL A 89 11.638 -17.913 16.179 1.00 0.00 C ATOM 1406 O VAL A 89 11.410 -19.127 16.189 1.00 0.00 O ATOM 1407 CB VAL A 89 10.377 -16.111 14.829 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.324 -15.318 13.511 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.009 -16.767 15.070 1.00 0.00 C ATOM 0 H VAL A 89 10.853 -18.811 13.895 1.00 0.00 H new ATOM 0 HA VAL A 89 12.463 -16.502 14.810 1.00 0.00 H new ATOM 0 HB VAL A 89 10.575 -15.427 15.654 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.477 -14.632 13.533 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.247 -14.751 13.390 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.210 -16.008 12.675 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.228 -16.008 15.026 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.827 -17.520 14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.000 -17.240 16.052 1.00 0.00 H new ATOM 1419 N TYR A 90 11.962 -17.232 17.284 1.00 0.00 N ATOM 1420 CA TYR A 90 12.259 -17.860 18.574 1.00 0.00 C ATOM 1421 C TYR A 90 11.570 -17.130 19.743 1.00 0.00 C ATOM 1422 O TYR A 90 11.725 -17.539 20.896 1.00 0.00 O ATOM 1423 CB TYR A 90 13.786 -17.898 18.773 1.00 0.00 C ATOM 1424 CG TYR A 90 14.572 -18.566 17.652 1.00 0.00 C ATOM 1425 CD1 TYR A 90 15.030 -17.803 16.558 1.00 0.00 C ATOM 1426 CD2 TYR A 90 14.848 -19.947 17.702 1.00 0.00 C ATOM 1427 CE1 TYR A 90 15.741 -18.416 15.511 1.00 0.00 C ATOM 1428 CE2 TYR A 90 15.576 -20.563 16.667 1.00 0.00 C ATOM 1429 CZ TYR A 90 16.020 -19.800 15.562 1.00 0.00 C ATOM 1430 OH TYR A 90 16.724 -20.380 14.549 1.00 0.00 O ATOM 0 H TYR A 90 12.026 -16.214 17.306 1.00 0.00 H new ATOM 0 HA TYR A 90 11.864 -18.876 18.565 1.00 0.00 H new ATOM 0 HB2 TYR A 90 14.146 -16.876 18.888 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.001 -18.419 19.706 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.834 -16.742 16.524 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.499 -20.535 18.538 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.074 -17.829 14.668 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.796 -21.619 16.717 1.00 0.00 H new ATOM 0 HH TYR A 90 16.834 -21.336 14.733 1.00 0.00 H new ATOM 1440 N SER A 91 10.835 -16.047 19.463 1.00 0.00 N ATOM 1441 CA SER A 91 10.130 -15.237 20.448 1.00 0.00 C ATOM 1442 C SER A 91 9.121 -16.093 21.213 1.00 0.00 C ATOM 1443 O SER A 91 9.129 -16.061 22.461 1.00 0.00 O ATOM 1444 CB SER A 91 9.443 -14.061 19.741 1.00 0.00 C ATOM 1445 OG SER A 91 10.342 -13.425 18.835 1.00 0.00 O ATOM 1446 OXT SER A 91 8.309 -16.783 20.557 1.00 0.00 O ATOM 0 H SER A 91 10.714 -15.704 18.510 1.00 0.00 H new ATOM 0 HA SER A 91 10.841 -14.839 21.172 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.565 -14.417 19.201 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.092 -13.340 20.480 1.00 0.00 H new ATOM 0 HG SER A 91 9.887 -12.679 18.392 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.577 -28.515 14.983 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.261 -29.831 14.410 1.00 0.00 O HETATM 1455 O2 PO4 A 92 12.529 -27.532 14.650 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.674 -28.627 16.446 1.00 0.00 O HETATM 1457 O4 PO4 A 92 14.873 -28.042 14.469 1.00 0.00 O