USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 599 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 18 GLN : amide:sc= 1.36 X(o=2.6,f=2.1) USER MOD Set 1.2: A 50 TYR OH : rot -70:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0692) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.148 (180deg=-0.211) USER MOD Single : A 2 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.1) USER MOD Single : A 3 HIS : no HE2:sc= 0.125 K(o=0.12,f=-0.46) USER MOD Single : A 5 TYR OH : rot 150:sc= -5.64! USER MOD Single : A 11 THR OG1 : rot -90:sc= -1.12 USER MOD Single : A 23 ASN : amide:sc= -3.22 K(o=-3.2,f=-11!) USER MOD Single : A 26 TYR OH : rot -162:sc= 1.23 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 90:sc= -0.664 USER MOD Single : A 38 GLN : amide:sc= -1.07! C(o=-1.1!,f=-2.1!) USER MOD Single : A 41 TYR OH : rot 14:sc= -0.364 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.893 F(o=-1.5,f=-0.89) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.391 F(o=-1.3,f=-0.39) USER MOD Single : A 54 THR OG1 : rot -49:sc= 0.848 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -117:sc= 0.266 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0397 F(o=-0.72,f=-0.04) USER MOD Single : A 69 HIS : no HE2:sc= -0.0155 K(o=-0.016,f=-2.5!) USER MOD Single : A 70 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-8.8!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.167) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.219 -8.268 -14.316 1.00 0.00 N ATOM 2 CA MET A 1 -6.378 -8.001 -13.423 1.00 0.00 C ATOM 3 C MET A 1 -6.073 -6.869 -12.446 1.00 0.00 C ATOM 4 O MET A 1 -6.969 -6.129 -12.041 1.00 0.00 O ATOM 5 CB MET A 1 -6.709 -9.284 -12.659 1.00 0.00 C ATOM 6 CG MET A 1 -5.599 -9.743 -11.729 1.00 0.00 C ATOM 7 SD MET A 1 -6.160 -10.959 -10.523 1.00 0.00 S ATOM 8 CE MET A 1 -6.833 -9.893 -9.253 1.00 0.00 C ATOM 0 H1 MET A 1 -5.484 -8.983 -15.024 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.942 -7.389 -14.798 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.419 -8.619 -13.751 1.00 0.00 H new ATOM 0 HA MET A 1 -7.231 -7.692 -14.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.617 -9.126 -12.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.923 -10.078 -13.375 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.789 -10.171 -12.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.190 -8.880 -11.205 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.346 -10.497 -8.505 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.024 -9.337 -8.778 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.539 -9.194 -9.701 1.00 0.00 H new ATOM 20 N GLN A 2 -4.804 -6.742 -12.074 1.00 0.00 N ATOM 21 CA GLN A 2 -4.382 -5.700 -11.145 1.00 0.00 C ATOM 22 C GLN A 2 -3.975 -4.435 -11.895 1.00 0.00 C ATOM 23 O GLN A 2 -3.635 -4.486 -13.077 1.00 0.00 O ATOM 24 CB GLN A 2 -3.218 -6.195 -10.286 1.00 0.00 C ATOM 25 CG GLN A 2 -3.577 -7.373 -9.393 1.00 0.00 C ATOM 26 CD GLN A 2 -2.562 -8.496 -9.470 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.115 -9.015 -8.446 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.192 -8.878 -10.686 1.00 0.00 N ATOM 0 H GLN A 2 -4.050 -7.347 -12.401 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.226 -5.461 -10.498 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.393 -6.482 -10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.862 -5.374 -9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.656 -7.031 -8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.557 -7.755 -9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.588 -8.420 -11.507 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.512 -9.629 -10.800 1.00 0.00 H new ATOM 37 N HIS A 3 -4.010 -3.304 -11.199 1.00 0.00 N ATOM 38 CA HIS A 3 -3.643 -2.026 -11.799 1.00 0.00 C ATOM 39 C HIS A 3 -2.481 -1.383 -11.045 1.00 0.00 C ATOM 40 O HIS A 3 -2.690 -0.643 -10.086 1.00 0.00 O ATOM 41 CB HIS A 3 -4.845 -1.078 -11.811 1.00 0.00 C ATOM 42 CG HIS A 3 -6.116 -1.729 -12.267 1.00 0.00 C ATOM 43 ND1 HIS A 3 -7.284 -1.694 -11.536 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.397 -2.435 -13.388 1.00 0.00 C ATOM 45 CE1 HIS A 3 -8.228 -2.350 -12.186 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.716 -2.809 -13.313 1.00 0.00 N ATOM 0 H HIS A 3 -4.289 -3.246 -10.219 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.327 -2.214 -12.825 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.991 -0.677 -10.808 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.625 -0.233 -12.463 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -7.401 -1.233 -10.634 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.711 -2.662 -14.191 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.246 -2.488 -11.852 1.00 0.00 H new ATOM 55 N PRO A 4 -1.234 -1.662 -11.470 1.00 0.00 N ATOM 56 CA PRO A 4 -0.031 -1.110 -10.832 1.00 0.00 C ATOM 57 C PRO A 4 -0.076 0.409 -10.708 1.00 0.00 C ATOM 58 O PRO A 4 -0.882 1.071 -11.361 1.00 0.00 O ATOM 59 CB PRO A 4 1.092 -1.523 -11.787 1.00 0.00 C ATOM 60 CG PRO A 4 0.581 -2.746 -12.462 1.00 0.00 C ATOM 61 CD PRO A 4 -0.901 -2.543 -12.606 1.00 0.00 C ATOM 0 HA PRO A 4 0.089 -1.476 -9.812 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.310 -0.734 -12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.017 -1.726 -11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.054 -2.883 -13.435 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.799 -3.638 -11.874 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.153 -2.081 -13.561 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.443 -3.487 -12.556 1.00 0.00 H new ATOM 69 N TYR A 5 0.809 0.958 -9.877 1.00 0.00 N ATOM 70 CA TYR A 5 0.879 2.403 -9.687 1.00 0.00 C ATOM 71 C TYR A 5 2.315 2.849 -9.471 1.00 0.00 C ATOM 72 O TYR A 5 2.745 3.856 -10.031 1.00 0.00 O ATOM 73 CB TYR A 5 0.012 2.856 -8.510 1.00 0.00 C ATOM 74 CG TYR A 5 -1.423 3.111 -8.905 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.273 2.059 -9.198 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.920 4.406 -9.005 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.582 2.284 -9.578 1.00 0.00 C ATOM 78 CE2 TYR A 5 -3.225 4.640 -9.389 1.00 0.00 C ATOM 79 CZ TYR A 5 -4.053 3.575 -9.675 1.00 0.00 C ATOM 80 OH TYR A 5 -5.354 3.805 -10.058 1.00 0.00 O ATOM 0 H TYR A 5 1.484 0.426 -9.328 1.00 0.00 H new ATOM 0 HA TYR A 5 0.495 2.869 -10.594 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.040 2.095 -7.730 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.434 3.766 -8.083 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.907 1.045 -9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.275 5.242 -8.779 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.233 1.451 -9.798 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.596 5.652 -9.465 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.676 4.632 -9.643 1.00 0.00 H new ATOM 90 N VAL A 6 3.060 2.092 -8.672 1.00 0.00 N ATOM 91 CA VAL A 6 4.448 2.426 -8.408 1.00 0.00 C ATOM 92 C VAL A 6 4.573 3.799 -7.754 1.00 0.00 C ATOM 93 O VAL A 6 4.009 4.783 -8.232 1.00 0.00 O ATOM 94 CB VAL A 6 5.262 2.415 -9.710 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.748 2.557 -9.421 1.00 0.00 C ATOM 96 CG2 VAL A 6 4.978 1.146 -10.494 1.00 0.00 C ATOM 0 H VAL A 6 2.726 1.251 -8.201 1.00 0.00 H new ATOM 0 HA VAL A 6 4.839 1.673 -7.724 1.00 0.00 H new ATOM 0 HB VAL A 6 4.960 3.269 -10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.304 2.546 -10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.929 3.498 -8.902 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.078 1.728 -8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.561 1.149 -11.415 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.253 0.278 -9.894 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.916 1.098 -10.736 1.00 0.00 H new ATOM 106 N GLY A 7 5.311 3.857 -6.655 1.00 0.00 N ATOM 107 CA GLY A 7 5.491 5.111 -5.950 1.00 0.00 C ATOM 108 C GLY A 7 5.865 4.909 -4.498 1.00 0.00 C ATOM 109 O GLY A 7 5.418 3.951 -3.870 1.00 0.00 O ATOM 0 H GLY A 7 5.789 3.058 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.268 5.694 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.571 5.692 -6.008 1.00 0.00 H new ATOM 113 N ILE A 8 6.676 5.809 -3.955 1.00 0.00 N ATOM 114 CA ILE A 8 7.083 5.707 -2.560 1.00 0.00 C ATOM 115 C ILE A 8 6.156 6.531 -1.685 1.00 0.00 C ATOM 116 O ILE A 8 6.313 7.741 -1.548 1.00 0.00 O ATOM 117 CB ILE A 8 8.548 6.140 -2.355 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.464 5.167 -3.112 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.889 6.191 -0.866 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.618 4.616 -2.296 1.00 0.00 C ATOM 0 H ILE A 8 7.062 6.610 -4.454 1.00 0.00 H new ATOM 0 HA ILE A 8 7.012 4.659 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 8 8.697 7.144 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.864 4.333 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.867 5.676 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.927 6.499 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.236 6.907 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.748 5.204 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.209 3.939 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.247 5.438 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.228 4.074 -1.434 1.00 0.00 H new ATOM 132 N TRP A 9 5.181 5.852 -1.108 1.00 0.00 N ATOM 133 CA TRP A 9 4.196 6.493 -0.254 1.00 0.00 C ATOM 134 C TRP A 9 4.668 6.509 1.194 1.00 0.00 C ATOM 135 O TRP A 9 4.700 5.475 1.864 1.00 0.00 O ATOM 136 CB TRP A 9 2.852 5.774 -0.389 1.00 0.00 C ATOM 137 CG TRP A 9 2.424 5.604 -1.824 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.963 4.753 -2.747 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.379 6.314 -2.501 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.319 4.885 -3.957 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.342 5.839 -3.830 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.471 7.305 -2.115 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.432 6.321 -4.767 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.430 7.781 -3.049 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.445 7.289 -4.359 1.00 0.00 C ATOM 0 H TRP A 9 5.049 4.846 -1.217 1.00 0.00 H new ATOM 0 HA TRP A 9 4.070 7.529 -0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.920 4.794 0.084 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.089 6.336 0.149 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.779 4.073 -2.555 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.533 4.361 -4.806 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.474 7.691 -1.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.419 5.945 -5.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.136 8.547 -2.762 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.164 7.682 -5.063 1.00 0.00 H new ATOM 156 N VAL A 10 5.048 7.691 1.663 1.00 0.00 N ATOM 157 CA VAL A 10 5.542 7.859 3.026 1.00 0.00 C ATOM 158 C VAL A 10 4.592 8.713 3.859 1.00 0.00 C ATOM 159 O VAL A 10 3.829 9.519 3.324 1.00 0.00 O ATOM 160 CB VAL A 10 6.948 8.498 3.027 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.405 8.829 4.440 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.950 7.578 2.347 1.00 0.00 C ATOM 0 H VAL A 10 5.024 8.552 1.117 1.00 0.00 H new ATOM 0 HA VAL A 10 5.601 6.867 3.473 1.00 0.00 H new ATOM 0 HB VAL A 10 6.891 9.431 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.398 9.277 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.705 9.531 4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.439 7.916 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.936 8.043 2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.992 6.628 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.641 7.402 1.316 1.00 0.00 H new ATOM 172 N THR A 11 4.649 8.526 5.171 1.00 0.00 N ATOM 173 CA THR A 11 3.799 9.271 6.093 1.00 0.00 C ATOM 174 C THR A 11 4.161 10.754 6.098 1.00 0.00 C ATOM 175 O THR A 11 5.080 11.182 5.401 1.00 0.00 O ATOM 176 CB THR A 11 3.924 8.691 7.502 1.00 0.00 C ATOM 177 OG1 THR A 11 5.201 8.103 7.692 1.00 0.00 O ATOM 178 CG2 THR A 11 2.882 7.637 7.802 1.00 0.00 C ATOM 0 H THR A 11 5.278 7.862 5.623 1.00 0.00 H new ATOM 0 HA THR A 11 2.766 9.178 5.758 1.00 0.00 H new ATOM 0 HB THR A 11 3.775 9.532 8.179 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.168 7.158 7.433 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.023 7.264 8.816 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.887 8.073 7.711 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.984 6.813 7.095 1.00 0.00 H new ATOM 186 N ALA A 12 3.427 11.534 6.888 1.00 0.00 N ATOM 187 CA ALA A 12 3.666 12.971 6.981 1.00 0.00 C ATOM 188 C ALA A 12 4.847 13.284 7.896 1.00 0.00 C ATOM 189 O ALA A 12 5.422 14.370 7.828 1.00 0.00 O ATOM 190 CB ALA A 12 2.412 13.687 7.472 1.00 0.00 C ATOM 0 H ALA A 12 2.663 11.195 7.472 1.00 0.00 H new ATOM 0 HA ALA A 12 3.913 13.332 5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.606 14.758 7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.594 13.508 6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.139 13.308 8.457 1.00 0.00 H new ATOM 196 N ASP A 13 5.208 12.330 8.750 1.00 0.00 N ATOM 197 CA ASP A 13 6.321 12.516 9.671 1.00 0.00 C ATOM 198 C ASP A 13 7.558 11.764 9.192 1.00 0.00 C ATOM 199 O ASP A 13 8.686 12.138 9.511 1.00 0.00 O ATOM 200 CB ASP A 13 5.934 12.045 11.075 1.00 0.00 C ATOM 201 CG ASP A 13 5.444 13.180 11.951 1.00 0.00 C ATOM 202 OD1 ASP A 13 5.930 14.318 11.777 1.00 0.00 O ATOM 203 OD2 ASP A 13 4.572 12.932 12.811 1.00 0.00 O ATOM 0 H ASP A 13 4.746 11.423 8.822 1.00 0.00 H new ATOM 0 HA ASP A 13 6.557 13.580 9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.155 11.286 10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.795 11.572 11.547 1.00 0.00 H new ATOM 208 N GLY A 14 7.339 10.701 8.424 1.00 0.00 N ATOM 209 CA GLY A 14 8.445 9.914 7.919 1.00 0.00 C ATOM 210 C GLY A 14 8.809 8.774 8.849 1.00 0.00 C ATOM 211 O GLY A 14 9.941 8.295 8.840 1.00 0.00 O ATOM 0 H GLY A 14 6.415 10.372 8.144 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.185 9.513 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.313 10.558 7.780 1.00 0.00 H new ATOM 215 N ARG A 15 7.842 8.334 9.650 1.00 0.00 N ATOM 216 CA ARG A 15 8.074 7.232 10.582 1.00 0.00 C ATOM 217 C ARG A 15 8.062 5.905 9.835 1.00 0.00 C ATOM 218 O ARG A 15 8.721 4.947 10.240 1.00 0.00 O ATOM 219 CB ARG A 15 7.039 7.207 11.723 1.00 0.00 C ATOM 220 CG ARG A 15 5.863 8.156 11.548 1.00 0.00 C ATOM 221 CD ARG A 15 4.917 7.681 10.458 1.00 0.00 C ATOM 222 NE ARG A 15 3.716 7.058 11.008 1.00 0.00 N ATOM 223 CZ ARG A 15 2.682 7.740 11.494 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.698 9.067 11.496 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.630 7.095 11.978 1.00 0.00 N ATOM 0 H ARG A 15 6.898 8.719 9.674 1.00 0.00 H new ATOM 0 HA ARG A 15 9.053 7.388 11.035 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.655 6.192 11.822 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.545 7.449 12.657 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.320 8.241 12.490 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.232 9.152 11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.632 8.526 9.832 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.433 6.968 9.815 1.00 0.00 H new ATOM 0 HE ARG A 15 3.667 6.039 11.020 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.505 9.568 11.124 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.903 9.586 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.613 6.075 11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.838 7.619 12.350 1.00 0.00 H new ATOM 239 N ILE A 16 7.319 5.859 8.734 1.00 0.00 N ATOM 240 CA ILE A 16 7.237 4.653 7.921 1.00 0.00 C ATOM 241 C ILE A 16 7.216 5.010 6.441 1.00 0.00 C ATOM 242 O ILE A 16 6.821 6.113 6.066 1.00 0.00 O ATOM 243 CB ILE A 16 6.005 3.778 8.288 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.840 3.978 7.308 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.547 4.068 9.708 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.765 2.904 6.242 1.00 0.00 C ATOM 0 H ILE A 16 6.766 6.642 8.385 1.00 0.00 H new ATOM 0 HA ILE A 16 8.127 4.060 8.132 1.00 0.00 H new ATOM 0 HB ILE A 16 6.320 2.737 8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.903 3.993 7.865 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.941 4.951 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.684 3.446 9.946 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.357 3.847 10.404 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.271 5.119 9.794 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.920 3.104 5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.687 2.903 5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.633 1.931 6.715 1.00 0.00 H new ATOM 258 N ARG A 17 7.647 4.078 5.608 1.00 0.00 N ATOM 259 CA ARG A 17 7.684 4.303 4.170 1.00 0.00 C ATOM 260 C ARG A 17 7.173 3.079 3.415 1.00 0.00 C ATOM 261 O ARG A 17 7.572 1.953 3.706 1.00 0.00 O ATOM 262 CB ARG A 17 9.116 4.665 3.742 1.00 0.00 C ATOM 263 CG ARG A 17 9.611 3.961 2.484 1.00 0.00 C ATOM 264 CD ARG A 17 11.109 4.131 2.311 1.00 0.00 C ATOM 265 NE ARG A 17 11.868 3.192 3.134 1.00 0.00 N ATOM 266 CZ ARG A 17 12.310 3.462 4.363 1.00 0.00 C ATOM 267 NH1 ARG A 17 12.069 4.640 4.923 1.00 0.00 N ATOM 268 NH2 ARG A 17 12.995 2.546 5.034 1.00 0.00 N ATOM 0 H ARG A 17 7.976 3.158 5.901 1.00 0.00 H new ATOM 0 HA ARG A 17 7.025 5.135 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.170 5.742 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.794 4.430 4.562 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.367 2.900 2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.094 4.363 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.371 3.987 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.390 5.151 2.573 1.00 0.00 H new ATOM 0 HE ARG A 17 12.073 2.272 2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.541 5.349 4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.411 4.837 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.183 1.637 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.334 2.750 5.974 1.00 0.00 H new ATOM 282 N GLN A 18 6.293 3.311 2.446 1.00 0.00 N ATOM 283 CA GLN A 18 5.730 2.228 1.648 1.00 0.00 C ATOM 284 C GLN A 18 6.030 2.437 0.170 1.00 0.00 C ATOM 285 O GLN A 18 5.537 3.383 -0.445 1.00 0.00 O ATOM 286 CB GLN A 18 4.221 2.130 1.876 1.00 0.00 C ATOM 287 CG GLN A 18 3.605 0.855 1.327 1.00 0.00 C ATOM 288 CD GLN A 18 2.122 0.997 1.051 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.718 1.623 0.070 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.300 0.415 1.917 1.00 0.00 N ATOM 0 H GLN A 18 5.954 4.240 2.195 1.00 0.00 H new ATOM 0 HA GLN A 18 6.193 1.293 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.019 2.190 2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.735 2.988 1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.117 0.576 0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.763 0.044 2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.678 -0.094 2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.291 0.477 1.783 1.00 0.00 H new ATOM 299 N GLU A 19 6.851 1.555 -0.398 1.00 0.00 N ATOM 300 CA GLU A 19 7.215 1.661 -1.804 1.00 0.00 C ATOM 301 C GLU A 19 6.316 0.810 -2.676 1.00 0.00 C ATOM 302 O GLU A 19 6.166 -0.391 -2.452 1.00 0.00 O ATOM 303 CB GLU A 19 8.666 1.232 -2.030 1.00 0.00 C ATOM 304 CG GLU A 19 9.123 1.349 -3.476 1.00 0.00 C ATOM 305 CD GLU A 19 10.627 1.488 -3.601 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.350 0.899 -2.770 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.084 2.188 -4.530 1.00 0.00 O ATOM 0 H GLU A 19 7.272 0.766 0.092 1.00 0.00 H new ATOM 0 HA GLU A 19 7.095 2.708 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.317 1.841 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.785 0.199 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.796 0.469 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.642 2.212 -3.937 1.00 0.00 H new ATOM 314 N LEU A 20 5.763 1.430 -3.703 1.00 0.00 N ATOM 315 CA LEU A 20 4.926 0.714 -4.645 1.00 0.00 C ATOM 316 C LEU A 20 5.813 0.243 -5.784 1.00 0.00 C ATOM 317 O LEU A 20 6.406 1.042 -6.507 1.00 0.00 O ATOM 318 CB LEU A 20 3.762 1.588 -5.128 1.00 0.00 C ATOM 319 CG LEU A 20 2.649 1.812 -4.097 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.364 2.248 -4.777 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.405 0.561 -3.266 1.00 0.00 C ATOM 0 H LEU A 20 5.878 2.423 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 20 4.464 -0.151 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.157 2.558 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.327 1.129 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 20 2.977 2.607 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.589 2.401 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.536 3.180 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.043 1.477 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.611 0.753 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.111 -0.259 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.319 0.292 -2.736 1.00 0.00 H new ATOM 333 N LEU A 21 5.960 -1.067 -5.873 1.00 0.00 N ATOM 334 CA LEU A 21 6.842 -1.686 -6.847 1.00 0.00 C ATOM 335 C LEU A 21 6.394 -1.501 -8.288 1.00 0.00 C ATOM 336 O LEU A 21 5.215 -1.288 -8.572 1.00 0.00 O ATOM 337 CB LEU A 21 6.987 -3.169 -6.521 1.00 0.00 C ATOM 338 CG LEU A 21 8.276 -3.561 -5.777 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.029 -2.335 -5.261 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.952 -4.493 -4.624 1.00 0.00 C ATOM 0 H LEU A 21 5.472 -1.731 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 21 7.804 -1.180 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.133 -3.476 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.939 -3.734 -7.452 1.00 0.00 H new ATOM 0 HG LEU A 21 8.923 -4.074 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.933 -2.655 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.300 -1.695 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.392 -1.780 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.872 -4.763 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.278 -3.992 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.474 -5.394 -5.008 1.00 0.00 H new ATOM 352 N PRO A 22 7.365 -1.596 -9.221 1.00 0.00 N ATOM 353 CA PRO A 22 7.124 -1.448 -10.659 1.00 0.00 C ATOM 354 C PRO A 22 6.218 -2.539 -11.213 1.00 0.00 C ATOM 355 O PRO A 22 5.664 -2.401 -12.304 1.00 0.00 O ATOM 356 CB PRO A 22 8.526 -1.552 -11.281 1.00 0.00 C ATOM 357 CG PRO A 22 9.471 -1.315 -10.152 1.00 0.00 C ATOM 358 CD PRO A 22 8.787 -1.860 -8.937 1.00 0.00 C ATOM 0 HA PRO A 22 6.615 -0.511 -10.884 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.686 -2.532 -11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.663 -0.813 -12.071 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.423 -1.817 -10.325 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.687 -0.253 -10.037 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.983 -2.924 -8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.118 -1.360 -8.027 1.00 0.00 H new ATOM 366 N ASN A 23 6.066 -3.623 -10.459 1.00 0.00 N ATOM 367 CA ASN A 23 5.222 -4.726 -10.890 1.00 0.00 C ATOM 368 C ASN A 23 3.832 -4.616 -10.273 1.00 0.00 C ATOM 369 O ASN A 23 3.123 -5.613 -10.133 1.00 0.00 O ATOM 370 CB ASN A 23 5.864 -6.061 -10.517 1.00 0.00 C ATOM 371 CG ASN A 23 5.982 -6.259 -9.019 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.660 -5.366 -8.234 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.447 -7.436 -8.615 1.00 0.00 N ATOM 0 H ASN A 23 6.514 -3.759 -9.553 1.00 0.00 H new ATOM 0 HA ASN A 23 5.120 -4.676 -11.974 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.274 -6.874 -10.941 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.856 -6.120 -10.966 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.550 -7.629 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.701 -8.147 -9.301 1.00 0.00 H new ATOM 380 N GLY A 24 3.446 -3.397 -9.904 1.00 0.00 N ATOM 381 CA GLY A 24 2.144 -3.182 -9.305 1.00 0.00 C ATOM 382 C GLY A 24 2.037 -3.825 -7.943 1.00 0.00 C ATOM 383 O GLY A 24 1.127 -4.614 -7.692 1.00 0.00 O ATOM 0 H GLY A 24 4.013 -2.556 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.957 -2.112 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.372 -3.587 -9.959 1.00 0.00 H new ATOM 387 N ARG A 25 2.973 -3.494 -7.062 1.00 0.00 N ATOM 388 CA ARG A 25 2.980 -4.058 -5.717 1.00 0.00 C ATOM 389 C ARG A 25 3.435 -3.036 -4.692 1.00 0.00 C ATOM 390 O ARG A 25 3.711 -1.889 -5.033 1.00 0.00 O ATOM 391 CB ARG A 25 3.870 -5.294 -5.674 1.00 0.00 C ATOM 392 CG ARG A 25 3.506 -6.302 -6.742 1.00 0.00 C ATOM 393 CD ARG A 25 2.113 -6.872 -6.515 1.00 0.00 C ATOM 394 NE ARG A 25 2.157 -8.247 -6.028 1.00 0.00 N ATOM 395 CZ ARG A 25 2.364 -9.306 -6.810 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.543 -9.149 -8.116 1.00 0.00 N ATOM 397 NH2 ARG A 25 2.392 -10.522 -6.285 1.00 0.00 N ATOM 0 H ARG A 25 3.733 -2.841 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 25 1.960 -4.347 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.910 -4.994 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.790 -5.763 -4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.552 -5.828 -7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.236 -7.111 -6.745 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.580 -6.250 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.550 -6.836 -7.448 1.00 0.00 H new ATOM 0 HE ARG A 25 2.021 -8.407 -5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.522 -8.215 -8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.701 -9.963 -8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.255 -10.648 -5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.550 -11.332 -6.884 1.00 0.00 H new ATOM 411 N TYR A 26 3.480 -3.446 -3.430 1.00 0.00 N ATOM 412 CA TYR A 26 3.868 -2.539 -2.361 1.00 0.00 C ATOM 413 C TYR A 26 4.824 -3.189 -1.365 1.00 0.00 C ATOM 414 O TYR A 26 4.770 -4.393 -1.118 1.00 0.00 O ATOM 415 CB TYR A 26 2.610 -2.018 -1.660 1.00 0.00 C ATOM 416 CG TYR A 26 2.204 -2.785 -0.427 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.947 -2.699 0.739 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.071 -3.581 -0.432 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.572 -3.394 1.873 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.685 -4.277 0.693 1.00 0.00 C ATOM 421 CZ TYR A 26 1.438 -4.182 1.846 1.00 0.00 C ATOM 422 OH TYR A 26 1.060 -4.876 2.973 1.00 0.00 O ATOM 0 H TYR A 26 3.254 -4.393 -3.125 1.00 0.00 H new ATOM 0 HA TYR A 26 4.411 -1.704 -2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.771 -0.976 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.783 -2.036 -2.370 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.832 -2.080 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.480 -3.658 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.162 -3.321 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.202 -4.893 0.673 1.00 0.00 H new ATOM 0 HH TYR A 26 0.434 -5.588 2.724 1.00 0.00 H new ATOM 432 N ASP A 27 5.688 -2.359 -0.790 1.00 0.00 N ATOM 433 CA ASP A 27 6.666 -2.798 0.197 1.00 0.00 C ATOM 434 C ASP A 27 6.913 -1.679 1.200 1.00 0.00 C ATOM 435 O ASP A 27 7.457 -0.633 0.846 1.00 0.00 O ATOM 436 CB ASP A 27 7.977 -3.181 -0.489 1.00 0.00 C ATOM 437 CG ASP A 27 8.247 -4.671 -0.436 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.673 -5.409 -1.265 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.032 -5.102 0.435 1.00 0.00 O ATOM 0 H ASP A 27 5.729 -1.361 -0.996 1.00 0.00 H new ATOM 0 HA ASP A 27 6.277 -3.673 0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.947 -2.857 -1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.801 -2.649 -0.014 1.00 0.00 H new ATOM 444 N GLU A 28 6.499 -1.883 2.446 1.00 0.00 N ATOM 445 CA GLU A 28 6.674 -0.859 3.466 1.00 0.00 C ATOM 446 C GLU A 28 7.816 -1.194 4.418 1.00 0.00 C ATOM 447 O GLU A 28 7.904 -2.303 4.946 1.00 0.00 O ATOM 448 CB GLU A 28 5.354 -0.639 4.227 1.00 0.00 C ATOM 449 CG GLU A 28 5.514 -0.328 5.711 1.00 0.00 C ATOM 450 CD GLU A 28 4.214 -0.474 6.478 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.277 0.309 6.215 1.00 0.00 O ATOM 452 OE2 GLU A 28 4.133 -1.373 7.341 1.00 0.00 O ATOM 0 H GLU A 28 6.046 -2.737 2.770 1.00 0.00 H new ATOM 0 HA GLU A 28 6.946 0.071 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.811 0.180 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.738 -1.532 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.262 -0.995 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.889 0.689 5.828 1.00 0.00 H new ATOM 459 N ALA A 29 8.679 -0.208 4.637 1.00 0.00 N ATOM 460 CA ALA A 29 9.815 -0.360 5.532 1.00 0.00 C ATOM 461 C ALA A 29 9.710 0.628 6.687 1.00 0.00 C ATOM 462 O ALA A 29 9.943 1.824 6.516 1.00 0.00 O ATOM 463 CB ALA A 29 11.115 -0.149 4.770 1.00 0.00 C ATOM 0 H ALA A 29 8.610 0.712 4.202 1.00 0.00 H new ATOM 0 HA ALA A 29 9.810 -1.371 5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.959 -0.265 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.191 -0.884 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.128 0.854 4.344 1.00 0.00 H new ATOM 469 N ARG A 30 9.352 0.120 7.859 1.00 0.00 N ATOM 470 CA ARG A 30 9.208 0.961 9.041 1.00 0.00 C ATOM 471 C ARG A 30 10.451 0.890 9.920 1.00 0.00 C ATOM 472 O ARG A 30 11.147 -0.125 9.949 1.00 0.00 O ATOM 473 CB ARG A 30 7.973 0.540 9.837 1.00 0.00 C ATOM 474 CG ARG A 30 6.749 0.293 8.969 1.00 0.00 C ATOM 475 CD ARG A 30 5.470 0.730 9.665 1.00 0.00 C ATOM 476 NE ARG A 30 4.813 -0.379 10.351 1.00 0.00 N ATOM 477 CZ ARG A 30 3.900 -0.224 11.308 1.00 0.00 C ATOM 478 NH1 ARG A 30 3.534 0.992 11.694 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.352 -1.287 11.880 1.00 0.00 N ATOM 0 H ARG A 30 9.156 -0.868 8.017 1.00 0.00 H new ATOM 0 HA ARG A 30 9.086 1.993 8.712 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.202 -0.368 10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.740 1.314 10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.855 0.834 8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.685 -0.767 8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.699 1.516 10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.787 1.158 8.932 1.00 0.00 H new ATOM 0 HE ARG A 30 5.069 -1.329 10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.952 1.813 11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.834 1.105 12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.630 -2.224 11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.653 -1.168 12.613 1.00 0.00 H new ATOM 493 N GLY A 31 10.726 1.977 10.636 1.00 0.00 N ATOM 494 CA GLY A 31 11.888 2.023 11.506 1.00 0.00 C ATOM 495 C GLY A 31 11.946 0.850 12.465 1.00 0.00 C ATOM 496 O GLY A 31 13.014 0.283 12.698 1.00 0.00 O ATOM 0 H GLY A 31 10.164 2.828 10.629 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.792 2.035 10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.874 2.952 12.075 1.00 0.00 H new ATOM 500 N ASN A 32 10.795 0.484 13.020 1.00 0.00 N ATOM 501 CA ASN A 32 10.720 -0.630 13.956 1.00 0.00 C ATOM 502 C ASN A 32 11.211 -1.918 13.305 1.00 0.00 C ATOM 503 O ASN A 32 11.757 -2.796 13.974 1.00 0.00 O ATOM 504 CB ASN A 32 9.284 -0.811 14.454 1.00 0.00 C ATOM 505 CG ASN A 32 8.843 0.318 15.363 1.00 0.00 C ATOM 506 OD1 ASN A 32 8.766 1.474 14.947 1.00 0.00 O ATOM 507 ND2 ASN A 32 8.549 -0.012 16.617 1.00 0.00 N ATOM 0 H ASN A 32 9.903 0.943 12.837 1.00 0.00 H new ATOM 0 HA ASN A 32 11.364 -0.403 14.805 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.610 -0.870 13.599 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.204 -1.757 14.989 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.246 0.706 17.276 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.626 -0.983 16.920 1.00 0.00 H new ATOM 514 N ARG A 33 11.012 -2.025 11.994 1.00 0.00 N ATOM 515 CA ARG A 33 11.436 -3.207 11.248 1.00 0.00 C ATOM 516 C ARG A 33 11.093 -3.058 9.767 1.00 0.00 C ATOM 517 O ARG A 33 9.926 -2.918 9.401 1.00 0.00 O ATOM 518 CB ARG A 33 10.777 -4.467 11.842 1.00 0.00 C ATOM 519 CG ARG A 33 10.267 -5.475 10.814 1.00 0.00 C ATOM 520 CD ARG A 33 9.550 -6.637 11.485 1.00 0.00 C ATOM 521 NE ARG A 33 10.411 -7.335 12.435 1.00 0.00 N ATOM 522 CZ ARG A 33 11.330 -8.231 12.083 1.00 0.00 C ATOM 523 NH1 ARG A 33 11.513 -8.539 10.805 1.00 0.00 N ATOM 524 NH2 ARG A 33 12.070 -8.823 13.013 1.00 0.00 N ATOM 0 H ARG A 33 10.560 -1.308 11.426 1.00 0.00 H new ATOM 0 HA ARG A 33 12.518 -3.309 11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.499 -4.965 12.490 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.942 -4.159 12.472 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.588 -4.978 10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.104 -5.852 10.226 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.665 -6.267 12.002 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.205 -7.338 10.725 1.00 0.00 H new ATOM 0 HE ARG A 33 10.302 -7.124 13.427 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.948 -8.088 10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.219 -9.227 10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.934 -8.591 13.997 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.774 -9.510 12.743 1.00 0.00 H new ATOM 538 N LYS A 34 12.116 -3.091 8.918 1.00 0.00 N ATOM 539 CA LYS A 34 11.913 -2.966 7.479 1.00 0.00 C ATOM 540 C LYS A 34 11.231 -4.213 6.930 1.00 0.00 C ATOM 541 O LYS A 34 11.098 -5.215 7.632 1.00 0.00 O ATOM 542 CB LYS A 34 13.240 -2.730 6.757 1.00 0.00 C ATOM 543 CG LYS A 34 14.362 -3.642 7.226 1.00 0.00 C ATOM 544 CD LYS A 34 15.211 -2.967 8.289 1.00 0.00 C ATOM 545 CE LYS A 34 16.536 -2.481 7.726 1.00 0.00 C ATOM 546 NZ LYS A 34 17.663 -2.730 8.665 1.00 0.00 N ATOM 0 H LYS A 34 13.090 -3.203 9.200 1.00 0.00 H new ATOM 0 HA LYS A 34 11.270 -2.104 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.091 -2.873 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.543 -1.693 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.941 -4.565 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.988 -3.918 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.664 -2.124 8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.397 -3.666 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.734 -2.984 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.470 -1.414 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.549 -2.384 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.487 -2.230 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.743 -3.750 8.849 1.00 0.00 H new ATOM 560 N SER A 35 10.789 -4.149 5.676 1.00 0.00 N ATOM 561 CA SER A 35 10.111 -5.281 5.049 1.00 0.00 C ATOM 562 C SER A 35 9.021 -5.827 5.967 1.00 0.00 C ATOM 563 O SER A 35 8.705 -7.016 5.935 1.00 0.00 O ATOM 564 CB SER A 35 11.116 -6.385 4.714 1.00 0.00 C ATOM 565 OG SER A 35 12.431 -5.866 4.618 1.00 0.00 O ATOM 0 H SER A 35 10.887 -3.330 5.077 1.00 0.00 H new ATOM 0 HA SER A 35 9.648 -4.934 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.082 -7.157 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.839 -6.859 3.772 1.00 0.00 H new ATOM 0 HG SER A 35 13.054 -6.592 4.405 1.00 0.00 H new ATOM 571 N ALA A 36 8.459 -4.946 6.790 1.00 0.00 N ATOM 572 CA ALA A 36 7.412 -5.327 7.728 1.00 0.00 C ATOM 573 C ALA A 36 6.261 -6.036 7.023 1.00 0.00 C ATOM 574 O ALA A 36 5.822 -7.105 7.448 1.00 0.00 O ATOM 575 CB ALA A 36 6.905 -4.095 8.463 1.00 0.00 C ATOM 0 H ALA A 36 8.714 -3.959 6.825 1.00 0.00 H new ATOM 0 HA ALA A 36 7.838 -6.026 8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.122 -4.386 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.727 -3.633 9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.502 -3.382 7.744 1.00 0.00 H new ATOM 581 N TYR A 37 5.772 -5.431 5.947 1.00 0.00 N ATOM 582 CA TYR A 37 4.667 -5.997 5.186 1.00 0.00 C ATOM 583 C TYR A 37 4.731 -5.597 3.714 1.00 0.00 C ATOM 584 O TYR A 37 5.120 -4.480 3.376 1.00 0.00 O ATOM 585 CB TYR A 37 3.334 -5.551 5.786 1.00 0.00 C ATOM 586 CG TYR A 37 2.506 -6.695 6.313 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.841 -7.321 7.505 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.397 -7.155 5.617 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.093 -8.374 7.993 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.641 -8.207 6.096 1.00 0.00 C ATOM 591 CZ TYR A 37 0.993 -8.815 7.283 1.00 0.00 C ATOM 592 OH TYR A 37 0.245 -9.864 7.765 1.00 0.00 O ATOM 0 H TYR A 37 6.125 -4.546 5.582 1.00 0.00 H new ATOM 0 HA TYR A 37 4.749 -7.082 5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.525 -4.847 6.596 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.762 -5.017 5.027 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.702 -6.979 8.061 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.121 -6.683 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.366 -8.850 8.923 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.221 -8.552 5.544 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.468 -9.519 8.342 1.00 0.00 H new ATOM 602 N GLN A 38 4.328 -6.524 2.852 1.00 0.00 N ATOM 603 CA GLN A 38 4.310 -6.293 1.411 1.00 0.00 C ATOM 604 C GLN A 38 3.281 -7.203 0.759 1.00 0.00 C ATOM 605 O GLN A 38 3.020 -8.303 1.248 1.00 0.00 O ATOM 606 CB GLN A 38 5.689 -6.542 0.782 1.00 0.00 C ATOM 607 CG GLN A 38 6.814 -6.754 1.786 1.00 0.00 C ATOM 608 CD GLN A 38 6.674 -8.054 2.555 1.00 0.00 C ATOM 609 OE1 GLN A 38 6.152 -9.041 2.037 1.00 0.00 O ATOM 610 NE2 GLN A 38 7.141 -8.060 3.797 1.00 0.00 N ATOM 0 H GLN A 38 4.006 -7.451 3.129 1.00 0.00 H new ATOM 0 HA GLN A 38 4.045 -5.249 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.626 -7.418 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.942 -5.694 0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.770 -6.748 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.830 -5.921 2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.566 -7.218 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.075 -8.906 4.363 1.00 0.00 H new ATOM 619 N GLY A 39 2.693 -6.750 -0.343 1.00 0.00 N ATOM 620 CA GLY A 39 1.700 -7.565 -1.016 1.00 0.00 C ATOM 621 C GLY A 39 1.301 -7.018 -2.368 1.00 0.00 C ATOM 622 O GLY A 39 2.140 -6.857 -3.255 1.00 0.00 O ATOM 0 H GLY A 39 2.883 -5.847 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.091 -8.575 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.814 -7.642 -0.386 1.00 0.00 H new ATOM 626 N ARG A 40 0.015 -6.731 -2.527 1.00 0.00 N ATOM 627 CA ARG A 40 -0.503 -6.201 -3.774 1.00 0.00 C ATOM 628 C ARG A 40 -1.761 -5.399 -3.505 1.00 0.00 C ATOM 629 O ARG A 40 -2.353 -5.505 -2.430 1.00 0.00 O ATOM 630 CB ARG A 40 -0.793 -7.337 -4.756 1.00 0.00 C ATOM 631 CG ARG A 40 -1.954 -8.227 -4.338 1.00 0.00 C ATOM 632 CD ARG A 40 -1.659 -9.695 -4.601 1.00 0.00 C ATOM 633 NE ARG A 40 -2.587 -10.274 -5.570 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.354 -11.403 -6.239 1.00 0.00 C ATOM 635 NH1 ARG A 40 -1.226 -12.075 -6.046 1.00 0.00 N ATOM 636 NH2 ARG A 40 -3.251 -11.859 -7.101 1.00 0.00 N ATOM 0 H ARG A 40 -0.689 -6.859 -1.800 1.00 0.00 H new ATOM 0 HA ARG A 40 0.246 -5.546 -4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.008 -6.912 -5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.102 -7.950 -4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.161 -8.081 -3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.852 -7.933 -4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.638 -9.800 -4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.719 -10.250 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.465 -9.785 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.533 -11.728 -5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.052 -12.939 -6.560 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.120 -11.346 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.073 -12.723 -7.613 1.00 0.00 H new ATOM 650 N TYR A 41 -2.170 -4.590 -4.468 1.00 0.00 N ATOM 651 CA TYR A 41 -3.359 -3.776 -4.291 1.00 0.00 C ATOM 652 C TYR A 41 -4.222 -3.737 -5.539 1.00 0.00 C ATOM 653 O TYR A 41 -3.740 -3.915 -6.659 1.00 0.00 O ATOM 654 CB TYR A 41 -2.976 -2.351 -3.907 1.00 0.00 C ATOM 655 CG TYR A 41 -1.761 -1.831 -4.635 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.491 -2.014 -4.113 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.884 -1.160 -5.848 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.623 -1.543 -4.773 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.772 -0.687 -6.515 1.00 0.00 C ATOM 660 CZ TYR A 41 0.480 -0.880 -5.973 1.00 0.00 C ATOM 661 OH TYR A 41 1.593 -0.411 -6.633 1.00 0.00 O ATOM 0 H TYR A 41 -1.703 -4.480 -5.368 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.938 -4.238 -3.491 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.819 -1.691 -4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.790 -2.311 -2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.372 -2.534 -3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.865 -1.007 -6.274 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.606 -1.693 -4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.883 -0.169 -7.456 1.00 0.00 H new ATOM 0 HH TYR A 41 2.397 -0.815 -6.245 1.00 0.00 H new ATOM 671 N GLU A 42 -5.497 -3.467 -5.323 1.00 0.00 N ATOM 672 CA GLU A 42 -6.460 -3.356 -6.408 1.00 0.00 C ATOM 673 C GLU A 42 -7.062 -1.957 -6.386 1.00 0.00 C ATOM 674 O GLU A 42 -7.535 -1.502 -5.349 1.00 0.00 O ATOM 675 CB GLU A 42 -7.559 -4.412 -6.266 1.00 0.00 C ATOM 676 CG GLU A 42 -7.847 -5.165 -7.555 1.00 0.00 C ATOM 677 CD GLU A 42 -9.157 -4.748 -8.194 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.223 -3.624 -8.734 1.00 0.00 O ATOM 679 OE2 GLU A 42 -10.118 -5.546 -8.154 1.00 0.00 O ATOM 0 H GLU A 42 -5.894 -3.319 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.956 -3.526 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.269 -5.126 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.474 -3.929 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.033 -4.996 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.872 -6.235 -7.348 1.00 0.00 H new ATOM 686 N VAL A 43 -7.020 -1.271 -7.518 1.00 0.00 N ATOM 687 CA VAL A 43 -7.539 0.089 -7.595 1.00 0.00 C ATOM 688 C VAL A 43 -8.880 0.151 -8.320 1.00 0.00 C ATOM 689 O VAL A 43 -9.038 -0.389 -9.414 1.00 0.00 O ATOM 690 CB VAL A 43 -6.525 1.024 -8.286 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.126 2.399 -8.541 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.257 1.135 -7.448 1.00 0.00 C ATOM 0 H VAL A 43 -6.635 -1.629 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.697 0.426 -6.571 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.269 0.593 -9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.387 3.034 -9.029 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.001 2.300 -9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.422 2.848 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.549 1.797 -7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.504 1.539 -6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.810 0.148 -7.332 1.00 0.00 H new ATOM 702 N ARG A 44 -9.840 0.825 -7.692 1.00 0.00 N ATOM 703 CA ARG A 44 -11.174 0.979 -8.261 1.00 0.00 C ATOM 704 C ARG A 44 -11.728 2.371 -7.973 1.00 0.00 C ATOM 705 O ARG A 44 -12.221 2.637 -6.876 1.00 0.00 O ATOM 706 CB ARG A 44 -12.117 -0.079 -7.691 1.00 0.00 C ATOM 707 CG ARG A 44 -11.577 -1.496 -7.797 1.00 0.00 C ATOM 708 CD ARG A 44 -12.697 -2.516 -7.943 1.00 0.00 C ATOM 709 NE ARG A 44 -13.745 -2.329 -6.940 1.00 0.00 N ATOM 710 CZ ARG A 44 -14.878 -1.660 -7.156 1.00 0.00 C ATOM 711 NH1 ARG A 44 -15.117 -1.098 -8.336 1.00 0.00 N ATOM 712 NH2 ARG A 44 -15.775 -1.551 -6.188 1.00 0.00 N ATOM 0 H ARG A 44 -9.717 1.275 -6.785 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.099 0.849 -9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.314 0.148 -6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.072 -0.023 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.907 -1.567 -8.653 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.987 -1.728 -6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.131 -2.437 -8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.285 -3.521 -7.854 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.600 -2.736 -6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.431 -1.176 -9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.987 -0.588 -8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.599 -1.978 -5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.642 -1.040 -6.352 1.00 0.00 H new ATOM 726 N GLY A 45 -11.644 3.260 -8.959 1.00 0.00 N ATOM 727 CA GLY A 45 -12.140 4.613 -8.781 1.00 0.00 C ATOM 728 C GLY A 45 -11.458 5.329 -7.631 1.00 0.00 C ATOM 729 O GLY A 45 -12.112 6.002 -6.834 1.00 0.00 O ATOM 0 H GLY A 45 -11.242 3.068 -9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.986 5.178 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.215 4.583 -8.601 1.00 0.00 H new ATOM 733 N ALA A 46 -10.136 5.178 -7.544 1.00 0.00 N ATOM 734 CA ALA A 46 -9.343 5.801 -6.486 1.00 0.00 C ATOM 735 C ALA A 46 -9.392 4.989 -5.191 1.00 0.00 C ATOM 736 O ALA A 46 -8.669 5.285 -4.240 1.00 0.00 O ATOM 737 CB ALA A 46 -9.792 7.234 -6.233 1.00 0.00 C ATOM 0 H ALA A 46 -9.588 4.623 -8.202 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.309 5.820 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.184 7.671 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.675 7.819 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.839 7.239 -5.931 1.00 0.00 H new ATOM 743 N HIS A 47 -10.232 3.955 -5.161 1.00 0.00 N ATOM 744 CA HIS A 47 -10.344 3.101 -3.986 1.00 0.00 C ATOM 745 C HIS A 47 -9.421 1.903 -4.144 1.00 0.00 C ATOM 746 O HIS A 47 -9.480 1.197 -5.149 1.00 0.00 O ATOM 747 CB HIS A 47 -11.790 2.636 -3.798 1.00 0.00 C ATOM 748 CG HIS A 47 -12.454 3.214 -2.586 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.752 4.495 -2.266 1.00 0.00 N flip ATOM 750 CD2 HIS A 47 -12.892 2.445 -1.530 1.00 0.00 C flip ATOM 751 CE1 HIS A 47 -13.360 4.476 -1.036 1.00 0.00 C flip ATOM 752 NE2 HIS A 47 -13.435 3.227 -0.613 1.00 0.00 N flip ATOM 0 H HIS A 47 -10.842 3.692 -5.935 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.051 3.668 -3.102 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.367 2.907 -4.682 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.807 1.548 -3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.805 1.371 -1.462 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.719 5.342 -0.500 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.842 2.919 0.270 1.00 0.00 H new ATOM 761 N ILE A 48 -8.551 1.683 -3.165 1.00 0.00 N ATOM 762 CA ILE A 48 -7.612 0.573 -3.244 1.00 0.00 C ATOM 763 C ILE A 48 -7.525 -0.199 -1.936 1.00 0.00 C ATOM 764 O ILE A 48 -7.659 0.365 -0.852 1.00 0.00 O ATOM 765 CB ILE A 48 -6.196 1.058 -3.664 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.084 0.159 -3.084 1.00 0.00 C ATOM 767 CG2 ILE A 48 -5.979 2.510 -3.256 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.589 0.578 -1.712 1.00 0.00 C ATOM 0 H ILE A 48 -8.477 2.249 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.996 -0.101 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.139 0.989 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.455 -0.864 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.241 0.154 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.982 2.828 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.724 3.140 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.075 2.602 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.809 -0.108 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.185 1.589 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.417 0.555 -1.004 1.00 0.00 H new ATOM 780 N ASN A 49 -7.273 -1.495 -2.061 1.00 0.00 N ATOM 781 CA ASN A 49 -7.132 -2.370 -0.908 1.00 0.00 C ATOM 782 C ASN A 49 -5.898 -3.251 -1.073 1.00 0.00 C ATOM 783 O ASN A 49 -5.570 -3.674 -2.179 1.00 0.00 O ATOM 784 CB ASN A 49 -8.379 -3.242 -0.719 1.00 0.00 C ATOM 785 CG ASN A 49 -9.576 -2.751 -1.515 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.017 -1.532 -1.228 1.00 0.00 O flip ATOM 787 ND2 ASN A 49 -10.094 -3.459 -2.379 1.00 0.00 N flip ATOM 0 H ASN A 49 -7.161 -1.966 -2.959 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.017 -1.748 -0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.148 -4.265 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.640 -3.268 0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.722 -4.390 -2.566 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.895 -3.115 -2.908 1.00 0.00 H new ATOM 794 N TYR A 50 -5.221 -3.520 0.034 1.00 0.00 N ATOM 795 CA TYR A 50 -4.022 -4.345 0.027 1.00 0.00 C ATOM 796 C TYR A 50 -4.359 -5.760 0.463 1.00 0.00 C ATOM 797 O TYR A 50 -4.739 -5.978 1.608 1.00 0.00 O ATOM 798 CB TYR A 50 -2.986 -3.767 0.994 1.00 0.00 C ATOM 799 CG TYR A 50 -2.408 -2.433 0.575 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.734 -2.286 -0.631 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.533 -1.316 1.395 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.202 -1.067 -1.006 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.006 -0.095 1.025 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.341 0.025 -0.176 1.00 0.00 C ATOM 805 OH TYR A 50 -0.814 1.241 -0.549 1.00 0.00 O ATOM 0 H TYR A 50 -5.485 -3.175 0.957 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.618 -4.359 -0.985 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.447 -3.656 1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.171 -4.483 1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.624 -3.138 -1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.052 -1.406 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.679 -0.970 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.114 0.762 1.673 1.00 0.00 H new ATOM 0 HH TYR A 50 0.164 1.198 -0.514 1.00 0.00 H new ATOM 815 N TRP A 51 -4.209 -6.718 -0.438 1.00 0.00 N ATOM 816 CA TRP A 51 -4.490 -8.107 -0.103 1.00 0.00 C ATOM 817 C TRP A 51 -3.189 -8.894 -0.026 1.00 0.00 C ATOM 818 O TRP A 51 -2.715 -9.436 -1.025 1.00 0.00 O ATOM 819 CB TRP A 51 -5.442 -8.732 -1.126 1.00 0.00 C ATOM 820 CG TRP A 51 -5.646 -10.204 -0.935 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.487 -10.807 -0.043 1.00 0.00 C ATOM 822 CD2 TRP A 51 -4.994 -11.260 -1.650 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.398 -12.172 -0.161 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.488 -12.476 -1.141 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.041 -11.296 -2.672 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.063 -13.712 -1.619 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -3.619 -12.524 -3.146 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.130 -13.717 -2.620 1.00 0.00 C ATOM 0 H TRP A 51 -3.898 -6.563 -1.397 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.979 -8.140 0.871 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.407 -8.229 -1.066 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.052 -8.555 -2.128 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -7.128 -10.286 0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.924 -12.850 0.391 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.642 -10.381 -3.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.455 -14.633 -1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.883 -12.564 -3.935 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.781 -14.661 -3.012 1.00 0.00 H new ATOM 839 N ASP A 52 -2.608 -8.936 1.166 1.00 0.00 N ATOM 840 CA ASP A 52 -1.344 -9.639 1.378 1.00 0.00 C ATOM 841 C ASP A 52 -1.500 -11.141 1.197 1.00 0.00 C ATOM 842 O ASP A 52 -2.599 -11.686 1.296 1.00 0.00 O ATOM 843 CB ASP A 52 -0.795 -9.351 2.775 1.00 0.00 C ATOM 844 CG ASP A 52 -0.021 -8.049 2.832 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.651 -6.977 2.711 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.217 -8.101 2.993 1.00 0.00 O ATOM 0 H ASP A 52 -2.989 -8.493 2.002 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.643 -9.272 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.620 -9.312 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.146 -10.171 3.084 1.00 0.00 H new ATOM 851 N ASP A 53 -0.379 -11.805 0.941 1.00 0.00 N ATOM 852 CA ASP A 53 -0.365 -13.249 0.753 1.00 0.00 C ATOM 853 C ASP A 53 -0.268 -13.975 2.095 1.00 0.00 C ATOM 854 O ASP A 53 -0.472 -15.187 2.167 1.00 0.00 O ATOM 855 CB ASP A 53 0.804 -13.657 -0.145 1.00 0.00 C ATOM 856 CG ASP A 53 0.656 -15.068 -0.680 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.084 -15.253 -1.670 1.00 0.00 O ATOM 858 OD2 ASP A 53 1.279 -15.988 -0.110 1.00 0.00 O ATOM 0 H ASP A 53 0.536 -11.363 0.859 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.301 -13.535 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.878 -12.960 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.735 -13.580 0.417 1.00 0.00 H new ATOM 863 N THR A 54 0.047 -13.231 3.158 1.00 0.00 N ATOM 864 CA THR A 54 0.173 -13.822 4.487 1.00 0.00 C ATOM 865 C THR A 54 -1.147 -13.772 5.252 1.00 0.00 C ATOM 866 O THR A 54 -1.164 -13.800 6.483 1.00 0.00 O ATOM 867 CB THR A 54 1.274 -13.122 5.286 1.00 0.00 C ATOM 868 OG1 THR A 54 1.507 -13.792 6.511 1.00 0.00 O ATOM 869 CG2 THR A 54 0.960 -11.677 5.605 1.00 0.00 C ATOM 0 H THR A 54 0.218 -12.226 3.123 1.00 0.00 H new ATOM 0 HA THR A 54 0.444 -14.870 4.355 1.00 0.00 H new ATOM 0 HB THR A 54 2.156 -13.150 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.653 -13.954 6.963 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.783 -11.243 6.173 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.825 -11.121 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.045 -11.625 6.195 1.00 0.00 H new ATOM 877 N GLY A 55 -2.249 -13.729 4.515 1.00 0.00 N ATOM 878 CA GLY A 55 -3.562 -13.712 5.131 1.00 0.00 C ATOM 879 C GLY A 55 -3.970 -12.366 5.707 1.00 0.00 C ATOM 880 O GLY A 55 -4.784 -12.313 6.628 1.00 0.00 O ATOM 0 H GLY A 55 -2.257 -13.705 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.301 -14.015 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.586 -14.456 5.927 1.00 0.00 H new ATOM 884 N PHE A 56 -3.432 -11.270 5.171 1.00 0.00 N ATOM 885 CA PHE A 56 -3.788 -9.950 5.656 1.00 0.00 C ATOM 886 C PHE A 56 -4.421 -9.143 4.536 1.00 0.00 C ATOM 887 O PHE A 56 -4.285 -9.477 3.358 1.00 0.00 O ATOM 888 CB PHE A 56 -2.548 -9.225 6.211 1.00 0.00 C ATOM 889 CG PHE A 56 -2.529 -7.729 5.987 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.496 -7.199 4.705 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.553 -6.857 7.064 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.490 -5.829 4.501 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.544 -5.488 6.868 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.513 -4.974 5.584 1.00 0.00 C ATOM 0 H PHE A 56 -2.755 -11.276 4.408 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.510 -10.055 6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.482 -9.418 7.282 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.658 -9.657 5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.475 -7.864 3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.579 -7.252 8.069 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.467 -5.431 3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.561 -4.821 7.717 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.507 -3.905 5.429 1.00 0.00 H new ATOM 904 N THR A 57 -5.077 -8.061 4.911 1.00 0.00 N ATOM 905 CA THR A 57 -5.694 -7.176 3.936 1.00 0.00 C ATOM 906 C THR A 57 -5.972 -5.808 4.541 1.00 0.00 C ATOM 907 O THR A 57 -6.344 -5.695 5.710 1.00 0.00 O ATOM 908 CB THR A 57 -6.979 -7.773 3.349 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.117 -7.022 3.742 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.235 -9.216 3.733 1.00 0.00 C ATOM 0 H THR A 57 -5.197 -7.772 5.882 1.00 0.00 H new ATOM 0 HA THR A 57 -4.983 -7.058 3.118 1.00 0.00 H new ATOM 0 HB THR A 57 -6.822 -7.733 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.923 -7.422 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.164 -9.555 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.410 -9.837 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.316 -9.295 4.817 1.00 0.00 H new ATOM 918 N ALA A 58 -5.787 -4.772 3.735 1.00 0.00 N ATOM 919 CA ALA A 58 -6.017 -3.402 4.196 1.00 0.00 C ATOM 920 C ALA A 58 -6.637 -2.540 3.101 1.00 0.00 C ATOM 921 O ALA A 58 -6.067 -2.383 2.027 1.00 0.00 O ATOM 922 CB ALA A 58 -4.714 -2.785 4.679 1.00 0.00 C ATOM 0 H ALA A 58 -5.481 -4.848 2.765 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.722 -3.443 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.898 -1.766 5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.315 -3.376 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.994 -2.770 3.861 1.00 0.00 H new ATOM 928 N ASP A 59 -7.808 -1.978 3.383 1.00 0.00 N ATOM 929 CA ASP A 59 -8.500 -1.135 2.412 1.00 0.00 C ATOM 930 C ASP A 59 -8.087 0.328 2.546 1.00 0.00 C ATOM 931 O ASP A 59 -7.651 0.770 3.610 1.00 0.00 O ATOM 932 CB ASP A 59 -10.014 -1.265 2.583 1.00 0.00 C ATOM 933 CG ASP A 59 -10.464 -0.971 3.999 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.210 0.152 4.482 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.073 -1.863 4.627 1.00 0.00 O ATOM 0 H ASP A 59 -8.297 -2.090 4.271 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.217 -1.476 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.514 -0.582 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.322 -2.274 2.309 1.00 0.00 H new ATOM 940 N GLY A 60 -8.233 1.073 1.454 1.00 0.00 N ATOM 941 CA GLY A 60 -7.878 2.480 1.449 1.00 0.00 C ATOM 942 C GLY A 60 -8.504 3.220 0.282 1.00 0.00 C ATOM 943 O GLY A 60 -9.342 2.667 -0.430 1.00 0.00 O ATOM 0 H GLY A 60 -8.594 0.723 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.200 2.939 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.794 2.580 1.402 1.00 0.00 H new ATOM 947 N ASP A 61 -8.104 4.472 0.082 1.00 0.00 N ATOM 948 CA ASP A 61 -8.641 5.274 -1.012 1.00 0.00 C ATOM 949 C ASP A 61 -7.830 6.550 -1.213 1.00 0.00 C ATOM 950 O ASP A 61 -7.518 7.257 -0.256 1.00 0.00 O ATOM 951 CB ASP A 61 -10.103 5.626 -0.739 1.00 0.00 C ATOM 952 CG ASP A 61 -10.315 6.178 0.656 1.00 0.00 C ATOM 953 OD1 ASP A 61 -9.917 5.504 1.629 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.879 7.287 0.777 1.00 0.00 O ATOM 0 H ASP A 61 -7.413 4.951 0.660 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.576 4.682 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.440 6.359 -1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.719 4.736 -0.872 1.00 0.00 H new ATOM 959 N PHE A 62 -7.500 6.843 -2.467 1.00 0.00 N ATOM 960 CA PHE A 62 -6.737 8.038 -2.797 1.00 0.00 C ATOM 961 C PHE A 62 -7.599 9.282 -2.657 1.00 0.00 C ATOM 962 O PHE A 62 -8.518 9.511 -3.444 1.00 0.00 O ATOM 963 CB PHE A 62 -6.189 7.964 -4.227 1.00 0.00 C ATOM 964 CG PHE A 62 -5.394 6.721 -4.541 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.862 5.927 -3.533 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.172 6.356 -5.858 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.129 4.796 -3.837 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.439 5.226 -6.167 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.916 4.445 -5.157 1.00 0.00 C ATOM 0 H PHE A 62 -7.750 6.267 -3.271 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.902 8.096 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.024 8.029 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.558 8.835 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.023 6.197 -2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.577 6.963 -6.654 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.723 4.186 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.275 4.954 -7.199 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.342 3.562 -5.397 1.00 0.00 H new ATOM 979 N VAL A 63 -7.292 10.084 -1.650 1.00 0.00 N ATOM 980 CA VAL A 63 -8.033 11.316 -1.400 1.00 0.00 C ATOM 981 C VAL A 63 -7.530 12.456 -2.282 1.00 0.00 C ATOM 982 O VAL A 63 -8.219 13.459 -2.465 1.00 0.00 O ATOM 983 CB VAL A 63 -7.938 11.752 0.075 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.876 10.923 0.938 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.503 11.647 0.577 1.00 0.00 C ATOM 0 H VAL A 63 -6.535 9.906 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.074 11.101 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.244 12.796 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.795 11.245 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.902 11.059 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.605 9.870 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.459 11.960 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.163 10.615 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.860 12.291 -0.022 1.00 0.00 H new ATOM 995 N SER A 64 -6.327 12.298 -2.828 1.00 0.00 N ATOM 996 CA SER A 64 -5.742 13.318 -3.688 1.00 0.00 C ATOM 997 C SER A 64 -4.843 12.689 -4.746 1.00 0.00 C ATOM 998 O SER A 64 -4.837 11.471 -4.926 1.00 0.00 O ATOM 999 CB SER A 64 -4.945 14.322 -2.855 1.00 0.00 C ATOM 1000 OG SER A 64 -4.628 15.478 -3.611 1.00 0.00 O ATOM 0 H SER A 64 -5.741 11.475 -2.690 1.00 0.00 H new ATOM 0 HA SER A 64 -6.555 13.840 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.521 14.607 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.027 13.855 -2.498 1.00 0.00 H new ATOM 0 HG SER A 64 -3.655 15.555 -3.698 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.082 13.527 -5.443 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.177 13.053 -6.482 1.00 0.00 C ATOM 1008 C ALA A 65 -1.870 12.547 -5.883 1.00 0.00 C ATOM 1009 O ALA A 65 -1.232 11.647 -6.430 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.906 14.160 -7.489 1.00 0.00 C ATOM 0 H ALA A 65 -4.075 14.538 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.656 12.219 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.228 13.793 -8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.844 14.471 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.451 15.010 -6.981 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.475 13.128 -4.755 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.240 12.735 -4.083 1.00 0.00 C ATOM 1018 C ASN A 66 -0.506 12.265 -2.652 1.00 0.00 C ATOM 1019 O ASN A 66 0.427 11.915 -1.929 1.00 0.00 O ATOM 1020 CB ASN A 66 0.753 13.901 -4.073 1.00 0.00 C ATOM 1021 CG ASN A 66 1.807 13.793 -5.164 1.00 0.00 C ATOM 1022 OD1 ASN A 66 1.452 13.180 -6.293 1.00 0.00 O flip ATOM 1023 ND2 ASN A 66 2.934 14.256 -4.995 1.00 0.00 N flip ATOM 0 H ASN A 66 -1.991 13.872 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 66 0.188 11.901 -4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.207 14.837 -4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.246 13.943 -3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.169 14.719 -4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.634 14.177 -5.733 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.774 12.253 -2.246 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.135 11.820 -0.901 1.00 0.00 C ATOM 1032 C GLU A 67 -2.801 10.450 -0.940 1.00 0.00 C ATOM 1033 O GLU A 67 -3.478 10.103 -1.908 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.067 12.838 -0.240 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.791 13.041 1.241 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.394 14.326 1.774 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -2.944 15.412 1.353 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.316 14.245 2.612 1.00 0.00 O ATOM 0 H GLU A 67 -2.563 12.537 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.221 11.748 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.970 13.794 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.099 12.510 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.192 12.196 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.714 13.052 1.408 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.592 9.668 0.113 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.158 8.329 0.197 1.00 0.00 C ATOM 1047 C LEU A 68 -3.800 8.108 1.561 1.00 0.00 C ATOM 1048 O LEU A 68 -3.302 8.589 2.578 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.046 7.300 -0.082 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.230 5.870 0.474 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.425 5.843 1.983 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.384 5.177 -0.228 1.00 0.00 C ATOM 0 H LEU A 68 -2.033 9.940 0.922 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.942 8.208 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.922 7.226 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.114 7.698 0.319 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.306 5.328 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.549 4.812 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.553 6.279 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.313 6.418 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.502 4.171 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.301 5.743 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.178 5.119 -1.297 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.903 7.367 1.579 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.598 7.073 2.826 1.00 0.00 C ATOM 1066 C HIS A 69 -5.799 5.573 2.997 1.00 0.00 C ATOM 1067 O HIS A 69 -6.606 4.961 2.299 1.00 0.00 O ATOM 1068 CB HIS A 69 -6.949 7.782 2.874 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.896 9.123 3.538 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.741 9.869 3.640 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -7.866 9.853 4.139 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -6.001 10.998 4.276 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.283 11.013 4.588 1.00 0.00 N ATOM 0 H HIS A 69 -5.333 6.961 0.748 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.977 7.439 3.644 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.323 7.903 1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.663 7.151 3.403 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.827 9.592 3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.904 9.575 4.245 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.286 11.776 4.502 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.064 4.988 3.935 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.169 3.558 4.202 1.00 0.00 C ATOM 1084 C HIS A 70 -5.100 3.286 5.701 1.00 0.00 C ATOM 1085 O HIS A 70 -4.271 3.860 6.408 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.075 2.786 3.444 1.00 0.00 C ATOM 1087 CG HIS A 70 -2.864 2.434 4.260 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -2.917 1.642 5.391 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -1.559 2.754 4.092 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.700 1.492 5.879 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -0.857 2.155 5.109 1.00 0.00 N ATOM 0 H HIS A 70 -4.390 5.480 4.522 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.137 3.207 3.843 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.508 1.867 3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.757 3.382 2.589 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.147 3.367 3.304 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.438 0.923 6.759 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.152 2.213 5.247 1.00 0.00 H new ATOM 1100 N GLY A 71 -5.979 2.413 6.181 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.003 2.088 7.596 1.00 0.00 C ATOM 1102 C GLY A 71 -6.099 3.326 8.466 1.00 0.00 C ATOM 1103 O GLY A 71 -5.703 3.308 9.632 1.00 0.00 O ATOM 0 H GLY A 71 -6.675 1.925 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.850 1.434 7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.101 1.533 7.855 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.625 4.406 7.895 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.761 5.645 8.634 1.00 0.00 C ATOM 1109 C GLY A 72 -5.472 6.443 8.682 1.00 0.00 C ATOM 1110 O GLY A 72 -5.308 7.311 9.538 1.00 0.00 O ATOM 0 H GLY A 72 -6.959 4.443 6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.542 6.252 8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.084 5.423 9.651 1.00 0.00 H new ATOM 1114 N MET A 73 -4.549 6.151 7.765 1.00 0.00 N ATOM 1115 CA MET A 73 -3.276 6.854 7.723 1.00 0.00 C ATOM 1116 C MET A 73 -3.199 7.772 6.512 1.00 0.00 C ATOM 1117 O MET A 73 -3.977 7.641 5.568 1.00 0.00 O ATOM 1118 CB MET A 73 -2.126 5.848 7.683 1.00 0.00 C ATOM 1119 CG MET A 73 -1.469 5.622 9.034 1.00 0.00 C ATOM 1120 SD MET A 73 -2.301 4.351 10.006 1.00 0.00 S ATOM 1121 CE MET A 73 -1.744 4.770 11.656 1.00 0.00 C ATOM 0 H MET A 73 -4.662 5.436 7.047 1.00 0.00 H new ATOM 0 HA MET A 73 -3.194 7.464 8.622 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.500 4.896 7.306 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.373 6.197 6.976 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.428 5.336 8.884 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.465 6.558 9.593 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.175 4.072 12.374 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.657 4.710 11.699 1.00 0.00 H new ATOM 0 HE3 MET A 73 -2.061 5.784 11.901 1.00 0.00 H new ATOM 1131 N THR A 74 -2.244 8.693 6.540 1.00 0.00 N ATOM 1132 CA THR A 74 -2.047 9.626 5.438 1.00 0.00 C ATOM 1133 C THR A 74 -0.674 9.418 4.817 1.00 0.00 C ATOM 1134 O THR A 74 0.349 9.756 5.415 1.00 0.00 O ATOM 1135 CB THR A 74 -2.195 11.071 5.915 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.296 11.198 6.796 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.398 12.054 4.781 1.00 0.00 C ATOM 0 H THR A 74 -1.593 8.814 7.316 1.00 0.00 H new ATOM 0 HA THR A 74 -2.812 9.434 4.685 1.00 0.00 H new ATOM 0 HB THR A 74 -1.258 11.308 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.373 12.129 7.091 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.496 13.061 5.186 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.541 12.015 4.108 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.303 11.794 4.232 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.657 8.845 3.624 1.00 0.00 N ATOM 1146 CA PHE A 75 0.590 8.570 2.924 1.00 0.00 C ATOM 1147 C PHE A 75 0.762 9.484 1.717 1.00 0.00 C ATOM 1148 O PHE A 75 -0.119 9.573 0.862 1.00 0.00 O ATOM 1149 CB PHE A 75 0.612 7.106 2.488 1.00 0.00 C ATOM 1150 CG PHE A 75 1.047 6.168 3.570 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.391 5.931 3.802 1.00 0.00 C ATOM 1152 CD2 PHE A 75 0.108 5.526 4.360 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.792 5.067 4.800 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.503 4.662 5.364 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.847 4.432 5.584 1.00 0.00 C ATOM 0 H PHE A 75 -1.495 8.560 3.118 1.00 0.00 H new ATOM 0 HA PHE A 75 1.420 8.763 3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.384 6.821 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.281 6.999 1.634 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.134 6.428 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.944 5.702 4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.843 4.887 4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.238 4.168 5.975 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.159 3.757 6.367 1.00 0.00 H new ATOM 1165 N TYR A 76 1.904 10.158 1.649 1.00 0.00 N ATOM 1166 CA TYR A 76 2.194 11.058 0.543 1.00 0.00 C ATOM 1167 C TYR A 76 3.203 10.423 -0.402 1.00 0.00 C ATOM 1168 O TYR A 76 4.114 9.718 0.031 1.00 0.00 O ATOM 1169 CB TYR A 76 2.730 12.392 1.058 1.00 0.00 C ATOM 1170 CG TYR A 76 1.925 12.966 2.200 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.059 12.467 3.489 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.027 14.004 1.988 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.321 12.986 4.534 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.287 14.531 3.029 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.438 14.018 4.300 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.298 14.540 5.341 1.00 0.00 O ATOM 0 H TYR A 76 2.644 10.097 2.348 1.00 0.00 H new ATOM 0 HA TYR A 76 1.266 11.243 0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.762 12.259 1.383 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.744 13.110 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.752 11.660 3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.905 14.406 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.435 12.585 5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.405 15.340 2.848 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.871 15.261 5.007 1.00 0.00 H new ATOM 1186 N ARG A 77 3.033 10.670 -1.691 1.00 0.00 N ATOM 1187 CA ARG A 77 3.932 10.111 -2.689 1.00 0.00 C ATOM 1188 C ARG A 77 5.321 10.726 -2.581 1.00 0.00 C ATOM 1189 O ARG A 77 5.455 11.923 -2.350 1.00 0.00 O ATOM 1190 CB ARG A 77 3.378 10.331 -4.096 1.00 0.00 C ATOM 1191 CG ARG A 77 3.913 9.346 -5.122 1.00 0.00 C ATOM 1192 CD ARG A 77 3.118 8.051 -5.123 1.00 0.00 C ATOM 1193 NE ARG A 77 2.347 7.886 -6.354 1.00 0.00 N ATOM 1194 CZ ARG A 77 2.884 7.557 -7.527 1.00 0.00 C ATOM 1195 NH1 ARG A 77 4.194 7.365 -7.634 1.00 0.00 N ATOM 1196 NH2 ARG A 77 2.110 7.423 -8.596 1.00 0.00 N ATOM 0 H ARG A 77 2.285 11.251 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 77 4.011 9.040 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.291 10.256 -4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.619 11.344 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.876 9.797 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.960 9.131 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.798 7.207 -5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.443 8.039 -4.267 1.00 0.00 H new ATOM 0 HE ARG A 77 1.338 8.031 -6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.793 7.469 -6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.601 7.113 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.104 7.572 -8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.521 7.171 -9.495 1.00 0.00 H new ATOM 1210 N GLU A 78 6.333 9.876 -2.761 1.00 0.00 N ATOM 1211 CA GLU A 78 7.755 10.248 -2.707 1.00 0.00 C ATOM 1212 C GLU A 78 8.035 11.401 -1.736 1.00 0.00 C ATOM 1213 O GLU A 78 8.821 11.255 -0.800 1.00 0.00 O ATOM 1214 CB GLU A 78 8.268 10.548 -4.130 1.00 0.00 C ATOM 1215 CG GLU A 78 8.932 11.910 -4.328 1.00 0.00 C ATOM 1216 CD GLU A 78 7.950 12.986 -4.749 1.00 0.00 C ATOM 1217 OE1 GLU A 78 7.158 12.735 -5.683 1.00 0.00 O ATOM 1218 OE2 GLU A 78 7.973 14.080 -4.146 1.00 0.00 O ATOM 0 H GLU A 78 6.187 8.885 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 78 8.308 9.398 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.983 9.773 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.429 10.471 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.418 12.211 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.713 11.822 -5.083 1.00 0.00 H new ATOM 1225 N LYS A 79 7.393 12.537 -1.962 1.00 0.00 N ATOM 1226 CA LYS A 79 7.571 13.708 -1.108 1.00 0.00 C ATOM 1227 C LYS A 79 8.949 14.326 -1.319 1.00 0.00 C ATOM 1228 O LYS A 79 9.953 13.644 -1.030 1.00 0.00 O ATOM 1229 CB LYS A 79 7.387 13.335 0.367 1.00 0.00 C ATOM 1230 CG LYS A 79 6.187 12.440 0.633 1.00 0.00 C ATOM 1231 CD LYS A 79 6.163 11.955 2.074 1.00 0.00 C ATOM 1232 CE LYS A 79 6.079 13.117 3.050 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.414 13.476 3.604 1.00 0.00 N ATOM 1234 OXT LYS A 79 9.012 15.489 -1.771 1.00 0.00 O ATOM 0 H LYS A 79 6.740 12.676 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 79 6.813 14.441 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.288 12.832 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.283 14.249 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.269 12.986 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.214 11.583 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.311 11.292 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.061 11.371 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.650 13.983 2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.405 12.857 3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.478 14.508 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.539 13.021 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.158 13.150 2.955 1.00 0.00 H new TER 1248 LYS A 79