USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 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: B 20 SER OG : rot 180:sc= -0.19 USER MOD Set 1.2: B 24 LYS NZ :NH3+ -164:sc= 0.0853 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot -113:sc= 1 USER MOD Set 2.2: B 18 THR OG1 : rot 180:sc= 1.06 USER MOD Set 3.1: A 75 GLN :FLIP amide:sc= -2.84! C(o=-8.9!,f=-5.1!) USER MOD Set 3.2: A 88 LYS NZ :NH3+ 172:sc= -2.22 (180deg=0) USER MOD Set 4.1: A 45 HIS :FLIP no HD1:sc= -4.91! F(o=-6.3,f=-3!) USER MOD Set 4.2: A 46 THR OG1 : rot 80:sc= 1.03 USER MOD Set 4.3: A 52 LYS NZ :NH3+ 142:sc= 0.917 (180deg=-0.345) USER MOD Set 5.1: A 19 SER OG : rot 80:sc= -0.0184 USER MOD Set 5.2: A 22 HIS :FLIP no HD1:sc= -0.0503 F(o=-5.5,f=-3) USER MOD Set 5.3: A 31 CYS SG : rot 166:sc= -1.98! USER MOD Set 5.4: A 36 CYS SG : rot 146:sc= -0.985 USER MOD Single : A 8 SER OG : rot 130:sc= -0.0124 USER MOD Single : A 14 GLN : amide:sc= -0.619 K(o=-0.62,f=-2.8!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 25 GLN : amide:sc= -4.8! C(o=-4.8!,f=-5.3!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.5) USER MOD Single : A 30 ASN : amide:sc=-0.00285 K(o=-0.0029,f=-1.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00394 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.554 K(o=0.55,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ -118:sc= 0.484 (180deg=-7.16!) USER MOD Single : A 39 MET CE :methyl -151:sc= -0.176 (180deg=-1.76) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= -5.01! (180deg=-5.06!) USER MOD Single : A 44 GLN : amide:sc= -0.525 K(o=-0.52,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -1.69! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 79:sc= 0.22 USER MOD Single : A 54 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.34) USER MOD Single : A 57 CYS SG : rot 40:sc= -3.42 USER MOD Single : A 60 CYS SG : rot -120:sc= -3.46! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.959 X(o=-0.96,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=-0.51) USER MOD Single : A 74 CYS SG : rot -79:sc= 0.642 USER MOD Single : A 77 ASN : amide:sc= -2.25! C(o=-2.3!,f=-6.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -57:sc= -4.21! USER MOD Single : A 86 ASN : amide:sc= -0.0566 K(o=-0.057,f=-2.2!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot -91:sc= 0.877 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 -9.325 -7.400 14.919 1.00 0.00 N ATOM 56 CA PRO A 5 -8.224 -7.494 13.929 1.00 0.00 C ATOM 57 C PRO A 5 -8.739 -7.079 12.574 1.00 0.00 C ATOM 58 O PRO A 5 -8.036 -6.475 11.769 1.00 0.00 O ATOM 59 CB PRO A 5 -7.825 -8.971 13.977 1.00 0.00 C ATOM 60 CG PRO A 5 -8.168 -9.342 15.363 1.00 0.00 C ATOM 61 CD PRO A 5 -9.515 -8.676 15.604 1.00 0.00 C ATOM 0 HA PRO A 5 -7.372 -6.846 14.136 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.376 -9.565 13.248 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.765 -9.113 13.768 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.231 -10.424 15.482 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.416 -8.987 16.068 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.340 -9.251 15.183 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.726 -8.546 16.665 1.00 0.00 H new ATOM 69 N GLY A 6 -10.003 -7.385 12.356 1.00 0.00 N ATOM 70 CA GLY A 6 -10.649 -7.022 11.120 1.00 0.00 C ATOM 71 C GLY A 6 -10.586 -5.511 10.973 1.00 0.00 C ATOM 72 O GLY A 6 -10.461 -4.979 9.872 1.00 0.00 O ATOM 0 H GLY A 6 -10.597 -7.882 13.019 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.155 -7.506 10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.685 -7.360 11.120 1.00 0.00 H new ATOM 76 N ASP A 7 -10.635 -4.830 12.115 1.00 0.00 N ATOM 77 CA ASP A 7 -10.549 -3.376 12.139 1.00 0.00 C ATOM 78 C ASP A 7 -9.091 -2.943 12.059 1.00 0.00 C ATOM 79 O ASP A 7 -8.775 -1.889 11.508 1.00 0.00 O ATOM 80 CB ASP A 7 -11.185 -2.816 13.412 1.00 0.00 C ATOM 81 CG ASP A 7 -11.366 -1.306 13.276 1.00 0.00 C ATOM 82 OD1 ASP A 7 -11.608 -0.854 12.169 1.00 0.00 O ATOM 83 OD2 ASP A 7 -11.260 -0.625 14.282 1.00 0.00 O ATOM 0 H ASP A 7 -10.734 -5.263 13.033 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.092 -2.984 11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.149 -3.293 13.588 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.556 -3.040 14.273 1.00 0.00 H new ATOM 88 N SER A 8 -8.200 -3.782 12.587 1.00 0.00 N ATOM 89 CA SER A 8 -6.779 -3.482 12.533 1.00 0.00 C ATOM 90 C SER A 8 -6.306 -3.640 11.104 1.00 0.00 C ATOM 91 O SER A 8 -5.490 -2.863 10.610 1.00 0.00 O ATOM 92 CB SER A 8 -5.966 -4.390 13.466 1.00 0.00 C ATOM 93 OG SER A 8 -6.323 -4.112 14.812 1.00 0.00 O ATOM 0 H SER A 8 -8.437 -4.660 13.049 1.00 0.00 H new ATOM 0 HA SER A 8 -6.625 -2.458 12.873 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.160 -5.437 13.234 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.899 -4.223 13.318 1.00 0.00 H new ATOM 0 HG SER A 8 -6.531 -4.950 15.275 1.00 0.00 H new ATOM 99 N ARG A 9 -6.862 -4.636 10.434 1.00 0.00 N ATOM 100 CA ARG A 9 -6.533 -4.880 9.051 1.00 0.00 C ATOM 101 C ARG A 9 -7.038 -3.724 8.213 1.00 0.00 C ATOM 102 O ARG A 9 -6.370 -3.265 7.288 1.00 0.00 O ATOM 103 CB ARG A 9 -7.133 -6.206 8.572 1.00 0.00 C ATOM 104 CG ARG A 9 -6.381 -7.373 9.219 1.00 0.00 C ATOM 105 CD ARG A 9 -6.962 -8.699 8.723 1.00 0.00 C ATOM 106 NE ARG A 9 -6.203 -9.818 9.273 1.00 0.00 N ATOM 107 CZ ARG A 9 -6.275 -11.029 8.733 1.00 0.00 C ATOM 108 NH1 ARG A 9 -7.055 -11.239 7.708 1.00 0.00 N ATOM 109 NH2 ARG A 9 -5.565 -12.010 9.225 1.00 0.00 N ATOM 0 H ARG A 9 -7.542 -5.285 10.830 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.451 -4.956 8.946 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.191 -6.253 8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.068 -6.275 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.320 -7.315 8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.461 -7.313 10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.008 -8.779 9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.935 -8.732 7.634 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.607 -9.667 10.087 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.608 -10.473 7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.111 -12.169 7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.954 -11.846 10.025 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.622 -12.939 8.809 1.00 0.00 H new ATOM 123 N ARG A 10 -8.204 -3.230 8.583 1.00 0.00 N ATOM 124 CA ARG A 10 -8.778 -2.082 7.895 1.00 0.00 C ATOM 125 C ARG A 10 -7.969 -0.839 8.225 1.00 0.00 C ATOM 126 O ARG A 10 -7.730 0.015 7.380 1.00 0.00 O ATOM 127 CB ARG A 10 -10.245 -1.872 8.264 1.00 0.00 C ATOM 128 CG ARG A 10 -11.119 -2.949 7.597 1.00 0.00 C ATOM 129 CD ARG A 10 -11.155 -2.750 6.068 1.00 0.00 C ATOM 130 NE ARG A 10 -12.415 -3.259 5.524 1.00 0.00 N ATOM 131 CZ ARG A 10 -12.523 -4.495 5.032 1.00 0.00 C ATOM 132 NH1 ARG A 10 -11.499 -5.305 5.052 1.00 0.00 N ATOM 133 NH2 ARG A 10 -13.659 -4.898 4.534 1.00 0.00 N ATOM 0 H ARG A 10 -8.770 -3.598 9.347 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.739 -2.275 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.365 -1.915 9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.570 -0.881 7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.727 -3.939 7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.131 -2.904 7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.048 -1.692 5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.315 -3.268 5.606 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.234 -2.651 5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.611 -4.994 5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.588 -6.248 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.462 -4.269 4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.744 -5.842 4.157 1.00 0.00 H new ATOM 147 N LEU A 11 -7.527 -0.757 9.461 1.00 0.00 N ATOM 148 CA LEU A 11 -6.711 0.366 9.881 1.00 0.00 C ATOM 149 C LEU A 11 -5.328 0.217 9.268 1.00 0.00 C ATOM 150 O LEU A 11 -4.657 1.206 8.973 1.00 0.00 O ATOM 151 CB LEU A 11 -6.620 0.432 11.411 1.00 0.00 C ATOM 152 CG LEU A 11 -7.883 1.118 11.991 1.00 0.00 C ATOM 153 CD1 LEU A 11 -8.173 0.608 13.410 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.672 2.636 12.043 1.00 0.00 C ATOM 0 H LEU A 11 -7.715 -1.447 10.188 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.167 1.296 9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.522 -0.573 11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.728 0.985 11.706 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.728 0.880 11.345 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.063 1.102 13.799 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.338 -0.469 13.383 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.324 0.829 14.057 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.563 3.113 12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.815 2.863 12.678 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.488 3.012 11.037 1.00 0.00 H new ATOM 166 N SER A 12 -4.911 -1.035 9.068 1.00 0.00 N ATOM 167 CA SER A 12 -3.609 -1.293 8.478 1.00 0.00 C ATOM 168 C SER A 12 -3.557 -0.723 7.073 1.00 0.00 C ATOM 169 O SER A 12 -2.578 -0.077 6.698 1.00 0.00 O ATOM 170 CB SER A 12 -3.323 -2.794 8.433 1.00 0.00 C ATOM 171 OG SER A 12 -2.040 -3.004 7.859 1.00 0.00 O ATOM 0 H SER A 12 -5.450 -1.869 9.303 1.00 0.00 H new ATOM 0 HA SER A 12 -2.851 -0.811 9.095 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.359 -3.214 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.086 -3.305 7.846 1.00 0.00 H new ATOM 0 HG SER A 12 -2.139 -3.450 6.992 1.00 0.00 H new ATOM 177 N ILE A 13 -4.610 -0.958 6.284 1.00 0.00 N ATOM 178 CA ILE A 13 -4.621 -0.442 4.925 1.00 0.00 C ATOM 179 C ILE A 13 -4.810 1.081 4.905 1.00 0.00 C ATOM 180 O ILE A 13 -4.340 1.744 3.990 1.00 0.00 O ATOM 181 CB ILE A 13 -5.698 -1.120 4.065 1.00 0.00 C ATOM 182 CG1 ILE A 13 -7.095 -0.758 4.562 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.522 -2.646 4.097 1.00 0.00 C ATOM 184 CD1 ILE A 13 -8.149 -1.379 3.647 1.00 0.00 C ATOM 0 H ILE A 13 -5.439 -1.486 6.557 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.648 -0.676 4.494 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.586 -0.764 3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.231 -1.115 5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.213 0.325 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.292 -3.114 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.538 -2.907 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.611 -3.001 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.144 -1.117 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.019 -1.001 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.037 -2.463 3.647 1.00 0.00 H new ATOM 196 N GLN A 14 -5.485 1.630 5.917 1.00 0.00 N ATOM 197 CA GLN A 14 -5.699 3.070 5.988 1.00 0.00 C ATOM 198 C GLN A 14 -4.363 3.786 6.126 1.00 0.00 C ATOM 199 O GLN A 14 -4.116 4.790 5.471 1.00 0.00 O ATOM 200 CB GLN A 14 -6.616 3.422 7.165 1.00 0.00 C ATOM 201 CG GLN A 14 -8.065 3.081 6.796 1.00 0.00 C ATOM 202 CD GLN A 14 -8.977 3.224 8.009 1.00 0.00 C ATOM 203 OE1 GLN A 14 -8.530 3.637 9.081 1.00 0.00 O ATOM 204 NE2 GLN A 14 -10.236 2.903 7.902 1.00 0.00 N ATOM 0 H GLN A 14 -5.888 1.102 6.691 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.183 3.397 5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.315 2.868 8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.529 4.482 7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.407 3.740 5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.118 2.062 6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.602 2.562 7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.856 2.993 8.707 1.00 0.00 H new ATOM 213 N ARG A 15 -3.491 3.235 6.957 1.00 0.00 N ATOM 214 CA ARG A 15 -2.169 3.798 7.149 1.00 0.00 C ATOM 215 C ARG A 15 -1.346 3.594 5.892 1.00 0.00 C ATOM 216 O ARG A 15 -0.587 4.472 5.479 1.00 0.00 O ATOM 217 CB ARG A 15 -1.465 3.143 8.338 1.00 0.00 C ATOM 218 CG ARG A 15 -2.122 3.594 9.641 1.00 0.00 C ATOM 219 CD ARG A 15 -1.365 2.989 10.825 1.00 0.00 C ATOM 220 NE ARG A 15 -1.961 3.433 12.083 1.00 0.00 N ATOM 221 CZ ARG A 15 -2.951 2.756 12.660 1.00 0.00 C ATOM 222 NH1 ARG A 15 -3.412 1.666 12.109 1.00 0.00 N ATOM 223 NH2 ARG A 15 -3.465 3.184 13.781 1.00 0.00 N ATOM 0 H ARG A 15 -3.678 2.398 7.508 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.271 4.863 7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.517 2.058 8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.409 3.412 8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.115 4.682 9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.166 3.280 9.663 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.391 1.901 10.765 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.317 3.285 10.786 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.611 4.281 12.529 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.013 1.330 11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.171 1.151 12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.108 4.036 14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.224 2.666 14.225 1.00 0.00 H new ATOM 237 N ALA A 16 -1.520 2.430 5.271 1.00 0.00 N ATOM 238 CA ALA A 16 -0.808 2.139 4.049 1.00 0.00 C ATOM 239 C ALA A 16 -1.353 3.041 2.973 1.00 0.00 C ATOM 240 O ALA A 16 -0.606 3.613 2.192 1.00 0.00 O ATOM 241 CB ALA A 16 -0.991 0.672 3.647 1.00 0.00 C ATOM 0 H ALA A 16 -2.141 1.688 5.595 1.00 0.00 H new ATOM 0 HA ALA A 16 0.259 2.311 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.446 0.477 2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.608 0.027 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.050 0.466 3.493 1.00 0.00 H new ATOM 247 N ILE A 17 -2.673 3.180 2.978 1.00 0.00 N ATOM 248 CA ILE A 17 -3.353 4.037 2.030 1.00 0.00 C ATOM 249 C ILE A 17 -2.922 5.466 2.251 1.00 0.00 C ATOM 250 O ILE A 17 -2.590 6.177 1.313 1.00 0.00 O ATOM 251 CB ILE A 17 -4.866 3.910 2.265 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.385 2.560 1.678 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.650 5.119 1.685 1.00 0.00 C ATOM 254 CD1 ILE A 17 -6.208 2.775 0.397 1.00 0.00 C ATOM 0 H ILE A 17 -3.292 2.705 3.635 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.108 3.745 1.009 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.042 3.915 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.539 1.908 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.997 2.051 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.715 4.986 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.308 6.037 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.478 5.183 0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.551 1.812 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.069 3.405 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.588 3.260 -0.357 1.00 0.00 H new ATOM 266 N GLN A 18 -2.919 5.890 3.505 1.00 0.00 N ATOM 267 CA GLN A 18 -2.522 7.249 3.796 1.00 0.00 C ATOM 268 C GLN A 18 -1.169 7.534 3.177 1.00 0.00 C ATOM 269 O GLN A 18 -0.929 8.634 2.699 1.00 0.00 O ATOM 270 CB GLN A 18 -2.503 7.505 5.312 1.00 0.00 C ATOM 271 CG GLN A 18 -3.929 7.793 5.811 1.00 0.00 C ATOM 272 CD GLN A 18 -3.947 7.869 7.334 1.00 0.00 C ATOM 273 OE1 GLN A 18 -2.903 7.739 7.974 1.00 0.00 O ATOM 274 NE2 GLN A 18 -5.076 8.076 7.955 1.00 0.00 N ATOM 0 H GLN A 18 -3.180 5.327 4.314 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.254 7.929 3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.095 6.638 5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.851 8.349 5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.288 8.731 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.607 7.010 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.939 8.183 7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.095 8.131 8.973 1.00 0.00 H new ATOM 283 N SER A 19 -0.293 6.532 3.141 1.00 0.00 N ATOM 284 CA SER A 19 1.017 6.720 2.523 1.00 0.00 C ATOM 285 C SER A 19 0.953 6.397 1.033 1.00 0.00 C ATOM 286 O SER A 19 1.511 7.117 0.225 1.00 0.00 O ATOM 287 CB SER A 19 2.077 5.861 3.220 1.00 0.00 C ATOM 288 OG SER A 19 3.364 6.210 2.725 1.00 0.00 O ATOM 0 H SER A 19 -0.461 5.601 3.523 1.00 0.00 H new ATOM 0 HA SER A 19 1.304 7.765 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.035 6.015 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.880 4.804 3.041 1.00 0.00 H new ATOM 0 HG SER A 19 3.673 7.029 3.166 1.00 0.00 H new ATOM 294 N LEU A 20 0.257 5.332 0.656 1.00 0.00 N ATOM 295 CA LEU A 20 0.153 5.008 -0.765 1.00 0.00 C ATOM 296 C LEU A 20 -0.587 6.116 -1.503 1.00 0.00 C ATOM 297 O LEU A 20 -0.090 6.648 -2.493 1.00 0.00 O ATOM 298 CB LEU A 20 -0.533 3.629 -0.923 1.00 0.00 C ATOM 299 CG LEU A 20 -1.413 3.502 -2.191 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.552 3.409 -3.461 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.248 2.230 -2.057 1.00 0.00 C ATOM 0 H LEU A 20 -0.229 4.696 1.288 1.00 0.00 H new ATOM 0 HA LEU A 20 1.145 4.940 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.234 2.854 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.150 3.440 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.046 4.385 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.199 3.321 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.060 4.306 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.095 2.534 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.879 2.115 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.587 1.368 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.875 2.298 -1.168 1.00 0.00 H new ATOM 313 N VAL A 21 -1.768 6.480 -1.020 1.00 0.00 N ATOM 314 CA VAL A 21 -2.514 7.539 -1.675 1.00 0.00 C ATOM 315 C VAL A 21 -1.721 8.854 -1.574 1.00 0.00 C ATOM 316 O VAL A 21 -1.601 9.575 -2.554 1.00 0.00 O ATOM 317 CB VAL A 21 -3.944 7.663 -1.080 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.473 9.100 -1.167 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.901 6.740 -1.847 1.00 0.00 C ATOM 0 H VAL A 21 -2.217 6.070 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.642 7.299 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.890 7.377 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.475 9.145 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.812 9.765 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.508 9.412 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.904 6.827 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.920 7.028 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.560 5.708 -1.759 1.00 0.00 H new ATOM 329 N HIS A 22 -1.165 9.165 -0.397 1.00 0.00 N ATOM 330 CA HIS A 22 -0.390 10.405 -0.259 1.00 0.00 C ATOM 331 C HIS A 22 0.937 10.339 -1.020 1.00 0.00 C ATOM 332 O HIS A 22 1.256 11.233 -1.795 1.00 0.00 O ATOM 333 CB HIS A 22 -0.102 10.719 1.207 1.00 0.00 C ATOM 334 CG HIS A 22 0.527 12.082 1.304 1.00 0.00 C ATOM 335 ND1 HIS A 22 1.738 12.508 1.796 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 -0.125 13.224 0.862 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 1.835 13.890 1.662 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 0.686 14.270 1.096 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.232 8.597 0.448 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.003 11.197 -0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.025 10.689 1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.564 9.967 1.629 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.106 13.265 0.412 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.662 14.520 1.953 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.453 15.237 0.869 1.00 0.00 H new ATOM 346 N ALA A 23 1.708 9.290 -0.772 1.00 0.00 N ATOM 347 CA ALA A 23 3.016 9.125 -1.420 1.00 0.00 C ATOM 348 C ALA A 23 2.907 8.954 -2.928 1.00 0.00 C ATOM 349 O ALA A 23 3.857 9.250 -3.653 1.00 0.00 O ATOM 350 CB ALA A 23 3.746 7.905 -0.857 1.00 0.00 C ATOM 0 H ALA A 23 1.458 8.538 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 23 3.571 10.039 -1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.713 7.800 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.897 8.034 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.149 7.010 -1.034 1.00 0.00 H new ATOM 356 N ALA A 24 1.770 8.463 -3.409 1.00 0.00 N ATOM 357 CA ALA A 24 1.606 8.255 -4.830 1.00 0.00 C ATOM 358 C ALA A 24 1.019 9.485 -5.468 1.00 0.00 C ATOM 359 O ALA A 24 1.052 9.631 -6.680 1.00 0.00 O ATOM 360 CB ALA A 24 0.670 7.079 -5.060 1.00 0.00 C ATOM 0 H ALA A 24 0.963 8.207 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 24 2.580 8.050 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.544 6.919 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.093 6.183 -4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.299 7.291 -4.608 1.00 0.00 H new ATOM 366 N GLN A 25 0.505 10.380 -4.631 1.00 0.00 N ATOM 367 CA GLN A 25 -0.097 11.619 -5.101 1.00 0.00 C ATOM 368 C GLN A 25 0.785 12.810 -4.782 1.00 0.00 C ATOM 369 O GLN A 25 0.794 13.795 -5.521 1.00 0.00 O ATOM 370 CB GLN A 25 -1.452 11.776 -4.420 1.00 0.00 C ATOM 371 CG GLN A 25 -2.380 10.614 -4.801 1.00 0.00 C ATOM 372 CD GLN A 25 -3.022 10.845 -6.157 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.432 11.962 -6.473 1.00 0.00 O ATOM 374 NE2 GLN A 25 -3.137 9.842 -6.980 1.00 0.00 N ATOM 0 H GLN A 25 0.494 10.267 -3.617 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.215 11.578 -6.184 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.321 11.806 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.906 12.723 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.813 9.683 -4.818 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.155 10.501 -4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.795 8.920 -6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.569 9.979 -7.894 1.00 0.00 H new ATOM 383 N CYS A 26 1.561 12.709 -3.715 1.00 0.00 N ATOM 384 CA CYS A 26 2.480 13.778 -3.357 1.00 0.00 C ATOM 385 C CYS A 26 3.863 13.357 -3.801 1.00 0.00 C ATOM 386 O CYS A 26 4.663 12.861 -3.010 1.00 0.00 O ATOM 387 CB CYS A 26 2.456 14.015 -1.849 1.00 0.00 C ATOM 388 SG CYS A 26 3.492 15.443 -1.448 1.00 0.00 S ATOM 0 H CYS A 26 1.574 11.906 -3.087 1.00 0.00 H new ATOM 0 HA CYS A 26 2.190 14.709 -3.843 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.434 14.188 -1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.818 13.131 -1.325 1.00 0.00 H new ATOM 0 HG CYS A 26 3.471 15.648 -0.164 1.00 0.00 H new ATOM 394 N ARG A 27 4.127 13.543 -5.085 1.00 0.00 N ATOM 395 CA ARG A 27 5.403 13.167 -5.657 1.00 0.00 C ATOM 396 C ARG A 27 6.396 14.307 -5.450 1.00 0.00 C ATOM 397 O ARG A 27 6.968 14.857 -6.393 1.00 0.00 O ATOM 398 CB ARG A 27 5.191 12.833 -7.143 1.00 0.00 C ATOM 399 CG ARG A 27 6.499 12.358 -7.812 1.00 0.00 C ATOM 400 CD ARG A 27 6.735 10.869 -7.532 1.00 0.00 C ATOM 401 NE ARG A 27 7.995 10.446 -8.136 1.00 0.00 N ATOM 402 CZ ARG A 27 8.051 10.027 -9.398 1.00 0.00 C ATOM 403 NH1 ARG A 27 6.968 10.011 -10.126 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.189 9.639 -9.911 1.00 0.00 N ATOM 0 H ARG A 27 3.471 13.953 -5.749 1.00 0.00 H new ATOM 0 HA ARG A 27 5.815 12.284 -5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.431 12.057 -7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.814 13.713 -7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.447 12.528 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.339 12.942 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.759 10.691 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.912 10.279 -7.935 1.00 0.00 H new ATOM 0 HE ARG A 27 8.850 10.472 -7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.081 10.319 -9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.008 9.690 -11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.037 9.657 -9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.229 9.318 -10.878 1.00 0.00 H new ATOM 418 N ASN A 28 6.571 14.666 -4.185 1.00 0.00 N ATOM 419 CA ASN A 28 7.485 15.741 -3.814 1.00 0.00 C ATOM 420 C ASN A 28 8.931 15.289 -3.995 1.00 0.00 C ATOM 421 O ASN A 28 9.763 16.033 -4.511 1.00 0.00 O ATOM 422 CB ASN A 28 7.262 16.134 -2.354 1.00 0.00 C ATOM 423 CG ASN A 28 8.202 17.274 -1.985 1.00 0.00 C ATOM 424 OD1 ASN A 28 9.080 17.111 -1.137 1.00 0.00 O ATOM 425 ND2 ASN A 28 8.073 18.426 -2.583 1.00 0.00 N ATOM 0 H ASN A 28 6.092 14.229 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 28 7.291 16.599 -4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.227 16.439 -2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.440 15.277 -1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.700 19.195 -2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.345 18.558 -3.285 1.00 0.00 H new ATOM 432 N ALA A 29 9.198 14.062 -3.534 1.00 0.00 N ATOM 433 CA ALA A 29 10.529 13.439 -3.593 1.00 0.00 C ATOM 434 C ALA A 29 11.229 13.564 -2.243 1.00 0.00 C ATOM 435 O ALA A 29 11.835 12.610 -1.755 1.00 0.00 O ATOM 436 CB ALA A 29 11.409 14.059 -4.690 1.00 0.00 C ATOM 0 H ALA A 29 8.490 13.466 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 29 10.383 12.387 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.382 13.568 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.929 13.927 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.541 15.123 -4.493 1.00 0.00 H new ATOM 442 N ASN A 30 11.138 14.749 -1.647 1.00 0.00 N ATOM 443 CA ASN A 30 11.763 15.010 -0.353 1.00 0.00 C ATOM 444 C ASN A 30 10.756 14.804 0.773 1.00 0.00 C ATOM 445 O ASN A 30 10.992 15.224 1.906 1.00 0.00 O ATOM 446 CB ASN A 30 12.280 16.449 -0.315 1.00 0.00 C ATOM 447 CG ASN A 30 13.448 16.611 -1.283 1.00 0.00 C ATOM 448 OD1 ASN A 30 14.096 15.630 -1.646 1.00 0.00 O ATOM 449 ND2 ASN A 30 13.754 17.800 -1.727 1.00 0.00 N ATOM 0 H ASN A 30 10.637 15.546 -2.040 1.00 0.00 H new ATOM 0 HA ASN A 30 12.593 14.317 -0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.479 17.139 -0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.597 16.703 0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.532 17.917 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.215 18.612 -1.425 1.00 0.00 H new ATOM 456 N CYS A 31 9.626 14.169 0.443 1.00 0.00 N ATOM 457 CA CYS A 31 8.562 13.914 1.421 1.00 0.00 C ATOM 458 C CYS A 31 9.138 13.699 2.825 1.00 0.00 C ATOM 459 O CYS A 31 10.100 12.949 2.998 1.00 0.00 O ATOM 460 CB CYS A 31 7.760 12.688 0.993 1.00 0.00 C ATOM 461 SG CYS A 31 6.229 12.619 1.954 1.00 0.00 S ATOM 0 H CYS A 31 9.424 13.822 -0.495 1.00 0.00 H new ATOM 0 HA CYS A 31 7.910 14.787 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.534 12.739 -0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.345 11.782 1.151 1.00 0.00 H new ATOM 0 HG CYS A 31 5.412 11.769 1.408 1.00 0.00 H new ATOM 467 N SER A 32 8.568 14.384 3.821 1.00 0.00 N ATOM 468 CA SER A 32 9.058 14.282 5.194 1.00 0.00 C ATOM 469 C SER A 32 8.404 13.147 5.959 1.00 0.00 C ATOM 470 O SER A 32 8.606 13.020 7.164 1.00 0.00 O ATOM 471 CB SER A 32 8.807 15.580 5.941 1.00 0.00 C ATOM 472 OG SER A 32 7.430 15.916 5.854 1.00 0.00 O ATOM 0 H SER A 32 7.772 15.011 3.701 1.00 0.00 H new ATOM 0 HA SER A 32 10.127 14.080 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.102 15.474 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.415 16.379 5.518 1.00 0.00 H new ATOM 0 HG SER A 32 7.266 16.753 6.337 1.00 0.00 H new ATOM 478 N LEU A 33 7.633 12.316 5.268 1.00 0.00 N ATOM 479 CA LEU A 33 6.986 11.180 5.908 1.00 0.00 C ATOM 480 C LEU A 33 7.792 9.920 5.579 1.00 0.00 C ATOM 481 O LEU A 33 7.711 9.413 4.464 1.00 0.00 O ATOM 482 CB LEU A 33 5.534 11.055 5.392 1.00 0.00 C ATOM 483 CG LEU A 33 4.664 12.226 5.953 1.00 0.00 C ATOM 484 CD1 LEU A 33 3.792 12.835 4.848 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.733 11.715 7.066 1.00 0.00 C ATOM 0 H LEU A 33 7.442 12.407 4.270 1.00 0.00 H new ATOM 0 HA LEU A 33 6.951 11.315 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.524 11.073 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.112 10.098 5.699 1.00 0.00 H new ATOM 0 HG LEU A 33 5.345 12.981 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.195 13.648 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.430 13.221 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.130 12.069 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.133 12.542 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.075 10.944 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.330 11.296 7.876 1.00 0.00 H new ATOM 497 N PRO A 34 8.600 9.407 6.493 1.00 0.00 N ATOM 498 CA PRO A 34 9.421 8.208 6.195 1.00 0.00 C ATOM 499 C PRO A 34 8.591 7.152 5.488 1.00 0.00 C ATOM 500 O PRO A 34 9.086 6.424 4.626 1.00 0.00 O ATOM 501 CB PRO A 34 9.894 7.732 7.576 1.00 0.00 C ATOM 502 CG PRO A 34 9.949 8.975 8.400 1.00 0.00 C ATOM 503 CD PRO A 34 8.828 9.884 7.874 1.00 0.00 C ATOM 0 HA PRO A 34 10.256 8.416 5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.205 7.003 8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.870 7.251 7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.804 8.749 9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.920 9.461 8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.926 9.798 8.480 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.124 10.933 7.890 1.00 0.00 H new ATOM 511 N SER A 35 7.312 7.102 5.836 1.00 0.00 N ATOM 512 CA SER A 35 6.405 6.155 5.213 1.00 0.00 C ATOM 513 C SER A 35 6.315 6.429 3.717 1.00 0.00 C ATOM 514 O SER A 35 6.201 5.503 2.920 1.00 0.00 O ATOM 515 CB SER A 35 5.013 6.260 5.839 1.00 0.00 C ATOM 516 OG SER A 35 5.043 5.709 7.150 1.00 0.00 O ATOM 0 H SER A 35 6.884 7.702 6.541 1.00 0.00 H new ATOM 0 HA SER A 35 6.790 5.148 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.697 7.302 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.285 5.729 5.226 1.00 0.00 H new ATOM 0 HG SER A 35 4.153 5.777 7.554 1.00 0.00 H new ATOM 522 N CYS A 36 6.355 7.701 3.338 1.00 0.00 N ATOM 523 CA CYS A 36 6.272 8.043 1.922 1.00 0.00 C ATOM 524 C CYS A 36 7.512 7.578 1.172 1.00 0.00 C ATOM 525 O CYS A 36 7.412 6.913 0.147 1.00 0.00 O ATOM 526 CB CYS A 36 6.081 9.550 1.752 1.00 0.00 C ATOM 527 SG CYS A 36 4.321 9.957 1.849 1.00 0.00 S ATOM 0 H CYS A 36 6.442 8.495 3.972 1.00 0.00 H new ATOM 0 HA CYS A 36 5.410 7.528 1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.631 10.085 2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.486 9.872 0.793 1.00 0.00 H new ATOM 0 HG CYS A 36 4.175 11.118 2.416 1.00 0.00 H new ATOM 533 N GLN A 37 8.680 7.949 1.672 1.00 0.00 N ATOM 534 CA GLN A 37 9.918 7.572 1.019 1.00 0.00 C ATOM 535 C GLN A 37 9.986 6.085 0.793 1.00 0.00 C ATOM 536 O GLN A 37 10.439 5.619 -0.253 1.00 0.00 O ATOM 537 CB GLN A 37 11.096 7.969 1.890 1.00 0.00 C ATOM 538 CG GLN A 37 11.108 9.488 2.046 1.00 0.00 C ATOM 539 CD GLN A 37 12.345 9.930 2.817 1.00 0.00 C ATOM 540 OE1 GLN A 37 13.207 9.109 3.133 1.00 0.00 O ATOM 541 NE2 GLN A 37 12.483 11.184 3.144 1.00 0.00 N ATOM 0 H GLN A 37 8.794 8.505 2.519 1.00 0.00 H new ATOM 0 HA GLN A 37 9.954 8.084 0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.021 7.491 2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.029 7.629 1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.095 9.961 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.209 9.814 2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.767 11.861 2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.307 11.488 3.663 1.00 0.00 H new ATOM 550 N LYS A 38 9.533 5.344 1.782 1.00 0.00 N ATOM 551 CA LYS A 38 9.536 3.916 1.703 1.00 0.00 C ATOM 552 C LYS A 38 8.447 3.456 0.731 1.00 0.00 C ATOM 553 O LYS A 38 8.621 2.470 0.016 1.00 0.00 O ATOM 554 CB LYS A 38 9.423 3.338 3.142 1.00 0.00 C ATOM 555 CG LYS A 38 8.547 2.073 3.197 1.00 0.00 C ATOM 556 CD LYS A 38 7.097 2.505 3.404 1.00 0.00 C ATOM 557 CE LYS A 38 6.147 1.330 3.180 1.00 0.00 C ATOM 558 NZ LYS A 38 4.768 1.741 3.566 1.00 0.00 N ATOM 0 H LYS A 38 9.157 5.720 2.653 1.00 0.00 H new ATOM 0 HA LYS A 38 10.469 3.529 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.420 3.104 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.004 4.096 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.645 1.502 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.870 1.422 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.969 2.895 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.851 3.314 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.169 1.022 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.464 0.472 3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.436 1.147 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.773 2.738 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.131 1.626 2.752 1.00 0.00 H new ATOM 572 N MET A 39 7.336 4.190 0.677 1.00 0.00 N ATOM 573 CA MET A 39 6.275 3.836 -0.250 1.00 0.00 C ATOM 574 C MET A 39 6.687 4.204 -1.660 1.00 0.00 C ATOM 575 O MET A 39 6.373 3.494 -2.612 1.00 0.00 O ATOM 576 CB MET A 39 4.936 4.499 0.112 1.00 0.00 C ATOM 577 CG MET A 39 4.153 3.665 1.146 1.00 0.00 C ATOM 578 SD MET A 39 3.932 1.943 0.590 1.00 0.00 S ATOM 579 CE MET A 39 3.197 2.277 -1.032 1.00 0.00 C ATOM 0 H MET A 39 7.154 5.013 1.251 1.00 0.00 H new ATOM 0 HA MET A 39 6.121 2.759 -0.183 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.119 5.497 0.511 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.334 4.622 -0.789 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.682 3.675 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.178 4.120 1.318 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.539 1.453 -1.310 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.621 3.202 -0.987 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.987 2.377 -1.776 1.00 0.00 H new ATOM 589 N LYS A 40 7.422 5.293 -1.805 1.00 0.00 N ATOM 590 CA LYS A 40 7.873 5.653 -3.127 1.00 0.00 C ATOM 591 C LYS A 40 8.773 4.557 -3.591 1.00 0.00 C ATOM 592 O LYS A 40 8.689 4.076 -4.700 1.00 0.00 O ATOM 593 CB LYS A 40 8.613 6.979 -3.137 1.00 0.00 C ATOM 594 CG LYS A 40 7.615 8.096 -2.889 1.00 0.00 C ATOM 595 CD LYS A 40 8.325 9.432 -2.992 1.00 0.00 C ATOM 596 CE LYS A 40 7.329 10.542 -2.674 1.00 0.00 C ATOM 597 NZ LYS A 40 8.009 11.854 -2.796 1.00 0.00 N ATOM 0 H LYS A 40 7.708 5.919 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 40 7.015 5.775 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.386 6.986 -2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.113 7.125 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.805 8.044 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.165 7.985 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.165 9.468 -2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.733 9.566 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.481 10.493 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.934 10.415 -1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.378 12.605 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.881 11.847 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.245 12.031 -3.793 1.00 0.00 H new ATOM 611 N ARG A 41 9.597 4.126 -2.683 1.00 0.00 N ATOM 612 CA ARG A 41 10.498 3.045 -2.945 1.00 0.00 C ATOM 613 C ARG A 41 9.692 1.886 -3.524 1.00 0.00 C ATOM 614 O ARG A 41 10.109 1.261 -4.484 1.00 0.00 O ATOM 615 CB ARG A 41 11.159 2.639 -1.620 1.00 0.00 C ATOM 616 CG ARG A 41 12.555 2.082 -1.883 1.00 0.00 C ATOM 617 CD ARG A 41 13.222 1.722 -0.558 1.00 0.00 C ATOM 618 NE ARG A 41 13.528 2.931 0.199 1.00 0.00 N ATOM 619 CZ ARG A 41 14.631 3.635 -0.046 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.451 3.254 -0.988 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.890 4.707 0.651 1.00 0.00 N ATOM 0 H ARG A 41 9.663 4.513 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 41 11.273 3.332 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.222 3.501 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.549 1.891 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.491 1.200 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.157 2.818 -2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.565 1.077 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.137 1.160 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 41 12.886 3.242 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.246 2.418 -1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.296 3.793 -1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.247 5.006 1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.735 5.246 0.463 1.00 0.00 H new ATOM 635 N VAL A 42 8.520 1.647 -2.923 1.00 0.00 N ATOM 636 CA VAL A 42 7.602 0.590 -3.357 1.00 0.00 C ATOM 637 C VAL A 42 6.959 0.923 -4.713 1.00 0.00 C ATOM 638 O VAL A 42 6.927 0.082 -5.610 1.00 0.00 O ATOM 639 CB VAL A 42 6.500 0.379 -2.294 1.00 0.00 C ATOM 640 CG1 VAL A 42 5.411 -0.552 -2.842 1.00 0.00 C ATOM 641 CG2 VAL A 42 7.115 -0.236 -1.031 1.00 0.00 C ATOM 0 H VAL A 42 8.183 2.181 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 42 8.180 -0.327 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 42 6.053 1.343 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.639 -0.694 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.968 -0.108 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.851 -1.516 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.337 -0.384 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.569 -1.196 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.877 0.434 -0.634 1.00 0.00 H new ATOM 651 N VAL A 43 6.447 2.149 -4.856 1.00 0.00 N ATOM 652 CA VAL A 43 5.815 2.550 -6.115 1.00 0.00 C ATOM 653 C VAL A 43 6.877 2.735 -7.189 1.00 0.00 C ATOM 654 O VAL A 43 6.785 2.174 -8.282 1.00 0.00 O ATOM 655 CB VAL A 43 5.029 3.851 -5.935 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.396 4.254 -7.270 1.00 0.00 C ATOM 657 CG2 VAL A 43 3.929 3.639 -4.895 1.00 0.00 C ATOM 0 H VAL A 43 6.457 2.867 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 43 5.123 1.765 -6.420 1.00 0.00 H new ATOM 0 HB VAL A 43 5.702 4.640 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.836 5.180 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.179 4.403 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.722 3.466 -7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.368 4.564 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.256 2.851 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.378 3.350 -3.944 1.00 0.00 H new ATOM 667 N GLN A 44 7.897 3.509 -6.855 1.00 0.00 N ATOM 668 CA GLN A 44 8.987 3.746 -7.770 1.00 0.00 C ATOM 669 C GLN A 44 9.564 2.393 -8.201 1.00 0.00 C ATOM 670 O GLN A 44 9.999 2.230 -9.341 1.00 0.00 O ATOM 671 CB GLN A 44 10.068 4.616 -7.102 1.00 0.00 C ATOM 672 CG GLN A 44 9.510 6.010 -6.786 1.00 0.00 C ATOM 673 CD GLN A 44 10.634 6.915 -6.290 1.00 0.00 C ATOM 674 OE1 GLN A 44 11.172 6.702 -5.204 1.00 0.00 O ATOM 675 NE2 GLN A 44 11.030 7.916 -7.031 1.00 0.00 N ATOM 0 H GLN A 44 7.987 3.981 -5.955 1.00 0.00 H new ATOM 0 HA GLN A 44 8.627 4.284 -8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.413 4.139 -6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.932 4.703 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.051 6.439 -7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.729 5.936 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.584 8.092 -7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.785 8.521 -6.709 1.00 0.00 H new ATOM 684 N HIS A 45 9.518 1.407 -7.289 1.00 0.00 N ATOM 685 CA HIS A 45 9.988 0.056 -7.603 1.00 0.00 C ATOM 686 C HIS A 45 8.928 -0.673 -8.404 1.00 0.00 C ATOM 687 O HIS A 45 9.237 -1.441 -9.314 1.00 0.00 O ATOM 688 CB HIS A 45 10.257 -0.734 -6.306 1.00 0.00 C ATOM 689 CG HIS A 45 10.227 -2.226 -6.559 1.00 0.00 C ATOM 690 ND1 HIS A 45 9.540 -3.234 -5.929 1.00 0.00 N flip ATOM 691 CD2 HIS A 45 10.915 -2.832 -7.601 1.00 0.00 C flip ATOM 692 CE1 HIS A 45 9.790 -4.439 -6.567 1.00 0.00 C flip ATOM 693 NE2 HIS A 45 10.619 -4.145 -7.567 1.00 0.00 N flip ATOM 0 H HIS A 45 9.163 1.522 -6.340 1.00 0.00 H new ATOM 0 HA HIS A 45 10.911 0.133 -8.178 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.228 -0.451 -5.899 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.509 -0.474 -5.557 1.00 0.00 H new ATOM 0 HD2 HIS A 45 11.567 -2.341 -8.308 1.00 0.00 H new ATOM 0 HE1 HIS A 45 9.396 -5.411 -6.308 1.00 0.00 H new ATOM 0 HE2 HIS A 45 10.985 -4.831 -8.227 1.00 0.00 H new ATOM 701 N THR A 46 7.683 -0.470 -8.017 1.00 0.00 N ATOM 702 CA THR A 46 6.602 -1.165 -8.671 1.00 0.00 C ATOM 703 C THR A 46 6.688 -1.055 -10.175 1.00 0.00 C ATOM 704 O THR A 46 6.581 -2.057 -10.881 1.00 0.00 O ATOM 705 CB THR A 46 5.251 -0.622 -8.192 1.00 0.00 C ATOM 706 OG1 THR A 46 5.099 -0.906 -6.810 1.00 0.00 O ATOM 707 CG2 THR A 46 4.111 -1.274 -8.986 1.00 0.00 C ATOM 0 H THR A 46 7.402 0.160 -7.266 1.00 0.00 H new ATOM 0 HA THR A 46 6.689 -2.218 -8.405 1.00 0.00 H new ATOM 0 HB THR A 46 5.216 0.456 -8.351 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.603 -0.250 -6.284 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.155 -0.882 -8.639 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.231 -1.050 -10.046 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.136 -2.354 -8.838 1.00 0.00 H new ATOM 715 N LYS A 47 6.871 0.146 -10.671 1.00 0.00 N ATOM 716 CA LYS A 47 6.954 0.330 -12.109 1.00 0.00 C ATOM 717 C LYS A 47 8.299 -0.135 -12.658 1.00 0.00 C ATOM 718 O LYS A 47 8.370 -0.729 -13.734 1.00 0.00 O ATOM 719 CB LYS A 47 6.749 1.795 -12.463 1.00 0.00 C ATOM 720 CG LYS A 47 5.327 2.207 -12.098 1.00 0.00 C ATOM 721 CD LYS A 47 5.048 3.602 -12.647 1.00 0.00 C ATOM 722 CE LYS A 47 5.865 4.646 -11.883 1.00 0.00 C ATOM 723 NZ LYS A 47 5.307 5.999 -12.153 1.00 0.00 N ATOM 0 H LYS A 47 6.964 0.998 -10.117 1.00 0.00 H new ATOM 0 HA LYS A 47 6.169 -0.275 -12.562 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.468 2.415 -11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.924 1.952 -13.527 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.613 1.493 -12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.200 2.198 -11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.298 3.640 -13.707 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.985 3.828 -12.561 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.838 4.435 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.910 4.603 -12.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.860 6.712 -11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.355 6.197 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.316 6.035 -11.840 1.00 0.00 H new ATOM 737 N GLY A 48 9.362 0.158 -11.925 1.00 0.00 N ATOM 738 CA GLY A 48 10.699 -0.213 -12.363 1.00 0.00 C ATOM 739 C GLY A 48 10.755 -1.670 -12.800 1.00 0.00 C ATOM 740 O GLY A 48 11.621 -2.053 -13.586 1.00 0.00 O ATOM 0 H GLY A 48 9.326 0.648 -11.031 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.004 0.429 -13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.408 -0.047 -11.552 1.00 0.00 H new ATOM 744 N CYS A 49 9.829 -2.484 -12.290 1.00 0.00 N ATOM 745 CA CYS A 49 9.787 -3.914 -12.645 1.00 0.00 C ATOM 746 C CYS A 49 8.514 -4.235 -13.453 1.00 0.00 C ATOM 747 O CYS A 49 7.401 -3.999 -12.982 1.00 0.00 O ATOM 748 CB CYS A 49 9.879 -4.754 -11.365 1.00 0.00 C ATOM 749 SG CYS A 49 9.579 -6.497 -11.755 1.00 0.00 S ATOM 0 H CYS A 49 9.104 -2.188 -11.637 1.00 0.00 H new ATOM 0 HA CYS A 49 10.637 -4.161 -13.281 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.863 -4.637 -10.912 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.149 -4.404 -10.636 1.00 0.00 H new ATOM 0 HG CYS A 49 9.660 -7.205 -10.668 1.00 0.00 H new ATOM 755 N LYS A 50 8.687 -4.767 -14.678 1.00 0.00 N ATOM 756 CA LYS A 50 7.554 -5.108 -15.540 1.00 0.00 C ATOM 757 C LYS A 50 6.920 -6.431 -15.121 1.00 0.00 C ATOM 758 O LYS A 50 5.704 -6.595 -15.210 1.00 0.00 O ATOM 759 CB LYS A 50 8.011 -5.193 -17.007 1.00 0.00 C ATOM 760 CG LYS A 50 8.532 -3.834 -17.513 1.00 0.00 C ATOM 761 CD LYS A 50 7.368 -2.861 -17.763 1.00 0.00 C ATOM 762 CE LYS A 50 7.906 -1.563 -18.371 1.00 0.00 C ATOM 763 NZ LYS A 50 6.772 -0.622 -18.603 1.00 0.00 N ATOM 0 H LYS A 50 9.600 -4.967 -15.086 1.00 0.00 H new ATOM 0 HA LYS A 50 6.806 -4.321 -15.438 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.796 -5.944 -17.102 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.179 -5.521 -17.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.218 -3.407 -16.781 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.097 -3.976 -18.434 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.639 -3.315 -18.435 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.850 -2.649 -16.827 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.638 -1.111 -17.702 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.418 -1.772 -19.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.133 0.262 -19.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.089 -1.056 -19.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.302 -0.415 -17.699 1.00 0.00 H new ATOM 777 N ARG A 51 7.741 -7.366 -14.655 1.00 0.00 N ATOM 778 CA ARG A 51 7.235 -8.655 -14.212 1.00 0.00 C ATOM 779 C ARG A 51 6.334 -8.444 -13.010 1.00 0.00 C ATOM 780 O ARG A 51 5.284 -9.072 -12.868 1.00 0.00 O ATOM 781 CB ARG A 51 8.402 -9.578 -13.835 1.00 0.00 C ATOM 782 CG ARG A 51 7.868 -10.913 -13.247 1.00 0.00 C ATOM 783 CD ARG A 51 8.035 -10.929 -11.719 1.00 0.00 C ATOM 784 NE ARG A 51 9.452 -10.932 -11.370 1.00 0.00 N ATOM 785 CZ ARG A 51 10.166 -12.053 -11.409 1.00 0.00 C ATOM 786 NH1 ARG A 51 9.604 -13.171 -11.776 1.00 0.00 N ATOM 787 NH2 ARG A 51 11.431 -12.034 -11.085 1.00 0.00 N ATOM 0 H ARG A 51 8.752 -7.255 -14.575 1.00 0.00 H new ATOM 0 HA ARG A 51 6.669 -9.122 -15.018 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.014 -9.779 -14.715 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.044 -9.083 -13.106 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.816 -11.037 -13.506 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.406 -11.753 -13.687 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.547 -10.058 -11.283 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.548 -11.810 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 51 9.902 -10.060 -11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.617 -13.185 -12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.151 -14.031 -11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.872 -11.159 -10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.978 -12.894 -11.115 1.00 0.00 H new ATOM 801 N LYS A 52 6.767 -7.532 -12.157 1.00 0.00 N ATOM 802 CA LYS A 52 6.045 -7.183 -10.959 1.00 0.00 C ATOM 803 C LYS A 52 4.724 -6.517 -11.308 1.00 0.00 C ATOM 804 O LYS A 52 3.699 -6.768 -10.673 1.00 0.00 O ATOM 805 CB LYS A 52 6.913 -6.238 -10.117 1.00 0.00 C ATOM 806 CG LYS A 52 6.052 -5.448 -9.134 1.00 0.00 C ATOM 807 CD LYS A 52 6.871 -4.963 -7.942 1.00 0.00 C ATOM 808 CE LYS A 52 5.916 -4.282 -6.953 1.00 0.00 C ATOM 809 NZ LYS A 52 6.691 -3.499 -5.950 1.00 0.00 N ATOM 0 H LYS A 52 7.636 -7.013 -12.282 1.00 0.00 H new ATOM 0 HA LYS A 52 5.826 -8.086 -10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.662 -6.813 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.451 -5.551 -10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.607 -4.593 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.231 -6.073 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.380 -5.800 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.642 -4.265 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.232 -3.624 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.307 -5.032 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.187 -2.615 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.797 -4.058 -5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.631 -3.276 -6.335 1.00 0.00 H new ATOM 823 N THR A 53 4.767 -5.648 -12.303 1.00 0.00 N ATOM 824 CA THR A 53 3.581 -4.930 -12.711 1.00 0.00 C ATOM 825 C THR A 53 2.491 -5.912 -13.089 1.00 0.00 C ATOM 826 O THR A 53 1.322 -5.726 -12.750 1.00 0.00 O ATOM 827 CB THR A 53 3.914 -3.983 -13.885 1.00 0.00 C ATOM 828 OG1 THR A 53 4.558 -2.825 -13.384 1.00 0.00 O ATOM 829 CG2 THR A 53 2.653 -3.568 -14.664 1.00 0.00 C ATOM 0 H THR A 53 5.607 -5.426 -12.838 1.00 0.00 H new ATOM 0 HA THR A 53 3.219 -4.323 -11.881 1.00 0.00 H new ATOM 0 HB THR A 53 4.570 -4.519 -14.572 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.498 -3.029 -13.196 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.932 -2.902 -15.481 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.167 -4.456 -15.069 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.965 -3.052 -13.994 1.00 0.00 H new ATOM 837 N ASN A 54 2.881 -6.960 -13.789 1.00 0.00 N ATOM 838 CA ASN A 54 1.923 -7.970 -14.202 1.00 0.00 C ATOM 839 C ASN A 54 1.259 -8.614 -12.990 1.00 0.00 C ATOM 840 O ASN A 54 0.380 -9.461 -13.147 1.00 0.00 O ATOM 841 CB ASN A 54 2.618 -9.056 -15.018 1.00 0.00 C ATOM 842 CG ASN A 54 3.366 -8.433 -16.188 1.00 0.00 C ATOM 843 OD1 ASN A 54 4.489 -8.836 -16.493 1.00 0.00 O ATOM 844 ND2 ASN A 54 2.808 -7.469 -16.865 1.00 0.00 N ATOM 0 H ASN A 54 3.843 -7.134 -14.081 1.00 0.00 H new ATOM 0 HA ASN A 54 1.163 -7.480 -14.811 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.312 -9.609 -14.385 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.883 -9.772 -15.386 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.302 -7.045 -17.651 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.878 -7.138 -16.609 1.00 0.00 H new ATOM 851 N GLY A 55 1.689 -8.239 -11.776 1.00 0.00 N ATOM 852 CA GLY A 55 1.112 -8.841 -10.566 1.00 0.00 C ATOM 853 C GLY A 55 2.080 -9.859 -9.977 1.00 0.00 C ATOM 854 O GLY A 55 1.789 -10.510 -8.973 1.00 0.00 O ATOM 0 H GLY A 55 2.414 -7.541 -11.608 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.896 -8.065 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.165 -9.324 -10.807 1.00 0.00 H new ATOM 858 N GLY A 56 3.219 -10.012 -10.642 1.00 0.00 N ATOM 859 CA GLY A 56 4.225 -10.978 -10.228 1.00 0.00 C ATOM 860 C GLY A 56 4.573 -10.858 -8.747 1.00 0.00 C ATOM 861 O GLY A 56 4.770 -11.868 -8.073 1.00 0.00 O ATOM 0 H GLY A 56 3.468 -9.476 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.863 -11.986 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.127 -10.836 -10.823 1.00 0.00 H new ATOM 865 N CYS A 57 4.684 -9.629 -8.243 1.00 0.00 N ATOM 866 CA CYS A 57 5.045 -9.419 -6.861 1.00 0.00 C ATOM 867 C CYS A 57 3.818 -9.374 -5.964 1.00 0.00 C ATOM 868 O CYS A 57 2.893 -8.612 -6.240 1.00 0.00 O ATOM 869 CB CYS A 57 5.759 -8.084 -6.731 1.00 0.00 C ATOM 870 SG CYS A 57 6.667 -8.052 -5.168 1.00 0.00 S ATOM 0 H CYS A 57 4.528 -8.774 -8.777 1.00 0.00 H new ATOM 0 HA CYS A 57 5.683 -10.248 -6.555 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.443 -7.940 -7.567 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.038 -7.267 -6.765 1.00 0.00 H new ATOM 0 HG CYS A 57 7.210 -9.214 -4.958 1.00 0.00 H new ATOM 876 N PRO A 58 3.792 -10.088 -4.869 1.00 0.00 N ATOM 877 CA PRO A 58 2.644 -9.988 -3.945 1.00 0.00 C ATOM 878 C PRO A 58 2.412 -8.520 -3.616 1.00 0.00 C ATOM 879 O PRO A 58 1.291 -8.099 -3.336 1.00 0.00 O ATOM 880 CB PRO A 58 3.083 -10.767 -2.698 1.00 0.00 C ATOM 881 CG PRO A 58 4.149 -11.706 -3.171 1.00 0.00 C ATOM 882 CD PRO A 58 4.800 -11.053 -4.397 1.00 0.00 C ATOM 0 HA PRO A 58 1.716 -10.385 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.464 -10.095 -1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.246 -11.311 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.887 -11.880 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.724 -12.676 -3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.735 -10.557 -4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.035 -11.791 -5.164 1.00 0.00 H new ATOM 890 N ILE A 59 3.498 -7.744 -3.678 1.00 0.00 N ATOM 891 CA ILE A 59 3.412 -6.326 -3.409 1.00 0.00 C ATOM 892 C ILE A 59 2.508 -5.707 -4.445 1.00 0.00 C ATOM 893 O ILE A 59 1.645 -4.911 -4.114 1.00 0.00 O ATOM 894 CB ILE A 59 4.801 -5.649 -3.457 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.653 -6.120 -2.283 1.00 0.00 C ATOM 896 CG2 ILE A 59 4.653 -4.125 -3.395 1.00 0.00 C ATOM 897 CD1 ILE A 59 7.104 -5.632 -2.465 1.00 0.00 C ATOM 0 H ILE A 59 4.433 -8.079 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 59 3.014 -6.179 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 59 5.287 -5.925 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.245 -5.736 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.630 -7.208 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.639 -3.662 -3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.061 -3.782 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.153 -3.845 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.710 -5.970 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.511 -6.037 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.119 -4.543 -2.508 1.00 0.00 H new ATOM 909 N CYS A 60 2.688 -6.091 -5.705 1.00 0.00 N ATOM 910 CA CYS A 60 1.848 -5.552 -6.756 1.00 0.00 C ATOM 911 C CYS A 60 0.479 -6.192 -6.700 1.00 0.00 C ATOM 912 O CYS A 60 -0.539 -5.521 -6.801 1.00 0.00 O ATOM 913 CB CYS A 60 2.480 -5.768 -8.147 1.00 0.00 C ATOM 914 SG CYS A 60 2.677 -4.186 -8.995 1.00 0.00 S ATOM 0 H CYS A 60 3.394 -6.759 -6.014 1.00 0.00 H new ATOM 0 HA CYS A 60 1.752 -4.478 -6.596 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.449 -6.256 -8.042 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.851 -6.432 -8.741 1.00 0.00 H new ATOM 0 HG CYS A 60 2.002 -4.202 -10.106 1.00 0.00 H new ATOM 920 N LYS A 61 0.466 -7.500 -6.545 1.00 0.00 N ATOM 921 CA LYS A 61 -0.802 -8.209 -6.497 1.00 0.00 C ATOM 922 C LYS A 61 -1.652 -7.667 -5.355 1.00 0.00 C ATOM 923 O LYS A 61 -2.831 -7.351 -5.532 1.00 0.00 O ATOM 924 CB LYS A 61 -0.553 -9.703 -6.300 1.00 0.00 C ATOM 925 CG LYS A 61 -1.788 -10.484 -6.742 1.00 0.00 C ATOM 926 CD LYS A 61 -1.653 -11.937 -6.307 1.00 0.00 C ATOM 927 CE LYS A 61 -0.504 -12.607 -7.068 1.00 0.00 C ATOM 928 NZ LYS A 61 -0.628 -14.087 -6.947 1.00 0.00 N ATOM 0 H LYS A 61 1.296 -8.085 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.333 -8.059 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.316 -10.018 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.332 -9.911 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.685 -10.044 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.900 -10.426 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.468 -11.988 -5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.585 -12.470 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.528 -12.313 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.454 -12.277 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.151 -14.544 -7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.585 -14.358 -5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.537 -14.393 -7.350 1.00 0.00 H new ATOM 942 N GLN A 62 -1.035 -7.547 -4.192 1.00 0.00 N ATOM 943 CA GLN A 62 -1.725 -7.027 -3.024 1.00 0.00 C ATOM 944 C GLN A 62 -2.022 -5.536 -3.190 1.00 0.00 C ATOM 945 O GLN A 62 -3.104 -5.066 -2.838 1.00 0.00 O ATOM 946 CB GLN A 62 -0.878 -7.258 -1.771 1.00 0.00 C ATOM 947 CG GLN A 62 -1.682 -6.866 -0.531 1.00 0.00 C ATOM 948 CD GLN A 62 -0.864 -7.134 0.729 1.00 0.00 C ATOM 949 OE1 GLN A 62 0.209 -6.557 0.909 1.00 0.00 O ATOM 950 NE2 GLN A 62 -1.310 -7.982 1.616 1.00 0.00 N ATOM 0 H GLN A 62 -0.060 -7.802 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.672 -7.556 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.581 -8.305 -1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.038 -6.669 -1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.952 -5.811 -0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.613 -7.432 -0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.199 -8.458 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.769 -8.168 2.461 1.00 0.00 H new ATOM 959 N LEU A 63 -1.053 -4.792 -3.724 1.00 0.00 N ATOM 960 CA LEU A 63 -1.230 -3.353 -3.922 1.00 0.00 C ATOM 961 C LEU A 63 -2.342 -3.079 -4.934 1.00 0.00 C ATOM 962 O LEU A 63 -3.149 -2.171 -4.742 1.00 0.00 O ATOM 963 CB LEU A 63 0.085 -2.707 -4.367 1.00 0.00 C ATOM 964 CG LEU A 63 -0.058 -1.189 -4.467 1.00 0.00 C ATOM 965 CD1 LEU A 63 -0.337 -0.572 -3.082 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.252 -0.625 -5.023 1.00 0.00 C ATOM 0 H LEU A 63 -0.148 -5.156 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.523 -2.908 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.875 -2.956 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.385 -3.112 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.895 -0.944 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.435 0.509 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.261 -0.986 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.488 -0.803 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.176 0.459 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.072 -0.882 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.442 -1.050 -6.008 1.00 0.00 H new ATOM 978 N ILE A 64 -2.402 -3.878 -6.000 1.00 0.00 N ATOM 979 CA ILE A 64 -3.449 -3.706 -7.001 1.00 0.00 C ATOM 980 C ILE A 64 -4.814 -3.921 -6.346 1.00 0.00 C ATOM 981 O ILE A 64 -5.757 -3.171 -6.593 1.00 0.00 O ATOM 982 CB ILE A 64 -3.237 -4.690 -8.161 1.00 0.00 C ATOM 983 CG1 ILE A 64 -2.019 -4.246 -8.979 1.00 0.00 C ATOM 984 CG2 ILE A 64 -4.477 -4.733 -9.064 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.571 -5.380 -9.907 1.00 0.00 C ATOM 0 H ILE A 64 -1.748 -4.638 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.408 -2.695 -7.405 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.069 -5.688 -7.755 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.267 -3.361 -9.565 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.204 -3.968 -8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.308 -5.435 -9.880 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.340 -5.054 -8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.664 -3.740 -9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.705 -5.057 -10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.305 -6.253 -9.312 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.384 -5.638 -10.585 1.00 0.00 H new ATOM 997 N ALA A 65 -4.910 -4.937 -5.502 1.00 0.00 N ATOM 998 CA ALA A 65 -6.162 -5.211 -4.811 1.00 0.00 C ATOM 999 C ALA A 65 -6.489 -4.064 -3.865 1.00 0.00 C ATOM 1000 O ALA A 65 -7.628 -3.595 -3.804 1.00 0.00 O ATOM 1001 CB ALA A 65 -6.057 -6.512 -4.015 1.00 0.00 C ATOM 0 H ALA A 65 -4.148 -5.578 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.955 -5.312 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.001 -6.703 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.838 -7.337 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.257 -6.425 -3.279 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.470 -3.591 -3.157 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.652 -2.471 -2.247 1.00 0.00 C ATOM 1009 C LEU A 66 -6.103 -1.282 -3.066 1.00 0.00 C ATOM 1010 O LEU A 66 -7.016 -0.540 -2.690 1.00 0.00 O ATOM 1011 CB LEU A 66 -4.333 -2.161 -1.522 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.435 -0.848 -0.740 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.641 -0.885 0.199 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -3.154 -0.670 0.085 1.00 0.00 C ATOM 0 H LEU A 66 -4.520 -3.962 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.399 -2.708 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.087 -2.976 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.522 -2.095 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.557 -0.018 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.703 0.054 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.552 -1.025 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.530 -1.711 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.211 0.261 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.047 -1.506 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.293 -0.639 -0.582 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.471 -1.140 -4.219 1.00 0.00 N ATOM 1027 CA ALA A 67 -5.812 -0.084 -5.136 1.00 0.00 C ATOM 1028 C ALA A 67 -7.234 -0.290 -5.623 1.00 0.00 C ATOM 1029 O ALA A 67 -7.958 0.670 -5.867 1.00 0.00 O ATOM 1030 CB ALA A 67 -4.862 -0.096 -6.324 1.00 0.00 C ATOM 0 H ALA A 67 -4.717 -1.749 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.729 0.876 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.129 0.707 -7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.840 0.051 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.935 -1.054 -6.839 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.634 -1.554 -5.767 1.00 0.00 N ATOM 1037 CA ALA A 68 -8.988 -1.838 -6.232 1.00 0.00 C ATOM 1038 C ALA A 68 -9.988 -1.123 -5.342 1.00 0.00 C ATOM 1039 O ALA A 68 -10.886 -0.439 -5.829 1.00 0.00 O ATOM 1040 CB ALA A 68 -9.269 -3.344 -6.223 1.00 0.00 C ATOM 0 H ALA A 68 -7.058 -2.374 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.084 -1.481 -7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.285 -3.527 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.562 -3.850 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.161 -3.728 -5.209 1.00 0.00 H new ATOM 1046 N TYR A 69 -9.820 -1.268 -4.035 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.720 -0.607 -3.099 1.00 0.00 C ATOM 1048 C TYR A 69 -10.644 0.913 -3.260 1.00 0.00 C ATOM 1049 O TYR A 69 -11.671 1.595 -3.269 1.00 0.00 O ATOM 1050 CB TYR A 69 -10.365 -0.995 -1.663 1.00 0.00 C ATOM 1051 CG TYR A 69 -10.710 -2.449 -1.441 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -12.026 -2.821 -1.133 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -9.716 -3.428 -1.551 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -12.345 -4.170 -0.938 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -10.034 -4.776 -1.353 1.00 0.00 C ATOM 1056 CZ TYR A 69 -11.348 -5.148 -1.048 1.00 0.00 C ATOM 1057 OH TYR A 69 -11.663 -6.478 -0.856 1.00 0.00 O ATOM 0 H TYR A 69 -9.083 -1.826 -3.604 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.738 -0.931 -3.316 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.303 -0.829 -1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.911 -0.368 -0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.794 -2.067 -1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.702 -3.143 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.359 -4.457 -0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.265 -5.530 -1.436 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.858 -7.025 -0.969 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.426 1.443 -3.386 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.247 2.887 -3.541 1.00 0.00 C ATOM 1069 C HIS A 70 -9.816 3.389 -4.869 1.00 0.00 C ATOM 1070 O HIS A 70 -10.489 4.419 -4.914 1.00 0.00 O ATOM 1071 CB HIS A 70 -7.763 3.245 -3.460 1.00 0.00 C ATOM 1072 CG HIS A 70 -7.602 4.734 -3.612 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.254 5.636 -2.784 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -6.867 5.495 -4.489 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -7.900 6.875 -3.176 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.057 6.845 -4.212 1.00 0.00 N ATOM 0 H HIS A 70 -8.561 0.903 -3.384 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.791 3.372 -2.731 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.350 2.918 -2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.209 2.726 -4.242 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.237 5.104 -5.274 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.254 7.782 -2.710 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.642 7.641 -4.696 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.535 2.666 -5.946 1.00 0.00 N ATOM 1085 CA ALA A 71 -10.018 3.059 -7.268 1.00 0.00 C ATOM 1086 C ALA A 71 -11.541 3.091 -7.290 1.00 0.00 C ATOM 1087 O ALA A 71 -12.147 3.831 -8.065 1.00 0.00 O ATOM 1088 CB ALA A 71 -9.513 2.081 -8.330 1.00 0.00 C ATOM 0 H ALA A 71 -8.980 1.811 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.637 4.056 -7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.881 2.386 -9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.423 2.081 -8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.875 1.078 -8.103 1.00 0.00 H new ATOM 1094 N LYS A 72 -12.150 2.297 -6.419 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.601 2.252 -6.326 1.00 0.00 C ATOM 1096 C LYS A 72 -14.113 3.503 -5.627 1.00 0.00 C ATOM 1097 O LYS A 72 -14.965 4.213 -6.161 1.00 0.00 O ATOM 1098 CB LYS A 72 -14.043 0.996 -5.564 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.935 -0.228 -6.492 1.00 0.00 C ATOM 1100 CD LYS A 72 -14.199 -1.534 -5.719 1.00 0.00 C ATOM 1101 CE LYS A 72 -14.036 -2.719 -6.673 1.00 0.00 C ATOM 1102 NZ LYS A 72 -14.212 -3.994 -5.921 1.00 0.00 N ATOM 0 H LYS A 72 -11.663 1.678 -5.770 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.021 2.213 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.419 0.854 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.069 1.112 -5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.651 -0.134 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.942 -0.262 -6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.504 -1.624 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.204 -1.525 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.769 -2.655 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.050 -2.692 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.101 -4.798 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.496 -4.055 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.162 -4.019 -5.498 1.00 0.00 H new ATOM 1116 N HIS A 73 -13.586 3.783 -4.438 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.007 4.961 -3.711 1.00 0.00 C ATOM 1118 C HIS A 73 -13.662 6.213 -4.502 1.00 0.00 C ATOM 1119 O HIS A 73 -14.498 7.105 -4.653 1.00 0.00 O ATOM 1120 CB HIS A 73 -13.354 4.994 -2.325 1.00 0.00 C ATOM 1121 CG HIS A 73 -13.870 6.169 -1.540 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -13.292 7.427 -1.625 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -14.899 6.290 -0.639 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -13.971 8.242 -0.796 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -14.961 7.599 -0.170 1.00 0.00 N ATOM 0 H HIS A 73 -12.879 3.217 -3.970 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.088 4.926 -3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.568 4.068 -1.791 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.271 5.061 -2.426 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.560 5.490 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -13.743 9.288 -0.654 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -15.620 7.984 0.506 1.00 0.00 H new ATOM 1133 N CYS A 74 -12.451 6.264 -5.051 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.068 7.400 -5.865 1.00 0.00 C ATOM 1135 C CYS A 74 -12.742 7.247 -7.216 1.00 0.00 C ATOM 1136 O CYS A 74 -12.340 6.417 -8.028 1.00 0.00 O ATOM 1137 CB CYS A 74 -10.548 7.456 -6.031 1.00 0.00 C ATOM 1138 SG CYS A 74 -10.089 9.008 -6.842 1.00 0.00 S ATOM 0 H CYS A 74 -11.735 5.545 -4.947 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.380 8.328 -5.387 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.062 7.384 -5.058 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.204 6.608 -6.623 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.306 8.911 -8.120 1.00 0.00 H new ATOM 1144 N GLN A 75 -13.798 8.023 -7.430 1.00 0.00 N ATOM 1145 CA GLN A 75 -14.559 7.938 -8.669 1.00 0.00 C ATOM 1146 C GLN A 75 -13.856 8.723 -9.765 1.00 0.00 C ATOM 1147 O GLN A 75 -14.270 8.739 -10.923 1.00 0.00 O ATOM 1148 CB GLN A 75 -15.976 8.489 -8.425 1.00 0.00 C ATOM 1149 CG GLN A 75 -16.903 8.195 -9.617 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.043 6.690 -9.826 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.079 6.211 -11.040 1.00 0.00 O flip ATOM 1152 NE2 GLN A 75 -17.126 5.932 -8.860 1.00 0.00 N flip ATOM 0 H GLN A 75 -14.145 8.714 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 75 -14.631 6.899 -8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -16.391 8.044 -7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -15.926 9.565 -8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -17.884 8.636 -9.440 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.503 8.658 -10.519 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.098 6.308 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.223 4.927 -9.007 1.00 0.00 H new ATOM 1161 N GLU A 76 -12.776 9.376 -9.375 1.00 0.00 N ATOM 1162 CA GLU A 76 -11.984 10.188 -10.300 1.00 0.00 C ATOM 1163 C GLU A 76 -10.607 9.600 -10.499 1.00 0.00 C ATOM 1164 O GLU A 76 -10.017 9.031 -9.580 1.00 0.00 O ATOM 1165 CB GLU A 76 -11.850 11.617 -9.762 1.00 0.00 C ATOM 1166 CG GLU A 76 -11.097 12.483 -10.775 1.00 0.00 C ATOM 1167 CD GLU A 76 -11.040 13.927 -10.286 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -11.363 14.155 -9.132 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -10.674 14.784 -11.073 1.00 0.00 O ATOM 0 H GLU A 76 -12.420 9.363 -8.419 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.500 10.201 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.837 12.038 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.319 11.609 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.087 12.098 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.593 12.438 -11.744 1.00 0.00 H new ATOM 1176 N ASN A 77 -10.092 9.760 -11.712 1.00 0.00 N ATOM 1177 CA ASN A 77 -8.774 9.265 -12.033 1.00 0.00 C ATOM 1178 C ASN A 77 -7.751 10.311 -11.601 1.00 0.00 C ATOM 1179 O ASN A 77 -7.409 11.203 -12.376 1.00 0.00 O ATOM 1180 CB ASN A 77 -8.659 9.022 -13.540 1.00 0.00 C ATOM 1181 CG ASN A 77 -9.763 8.079 -14.001 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -10.850 8.068 -13.424 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -9.549 7.281 -15.010 1.00 0.00 N ATOM 0 H ASN A 77 -10.571 10.228 -12.482 1.00 0.00 H new ATOM 0 HA ASN A 77 -8.593 8.323 -11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.730 9.968 -14.076 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.684 8.596 -13.775 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.283 6.646 -15.323 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.647 7.292 -15.487 1.00 0.00 H new ATOM 1190 N LYS A 78 -7.286 10.225 -10.356 1.00 0.00 N ATOM 1191 CA LYS A 78 -6.333 11.217 -9.859 1.00 0.00 C ATOM 1192 C LYS A 78 -5.217 11.449 -10.890 1.00 0.00 C ATOM 1193 O LYS A 78 -4.927 12.598 -11.219 1.00 0.00 O ATOM 1194 CB LYS A 78 -5.745 10.782 -8.500 1.00 0.00 C ATOM 1195 CG LYS A 78 -6.803 10.833 -7.375 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.019 12.291 -6.917 1.00 0.00 C ATOM 1197 CE LYS A 78 -7.928 12.351 -5.682 1.00 0.00 C ATOM 1198 NZ LYS A 78 -8.272 13.776 -5.414 1.00 0.00 N ATOM 0 H LYS A 78 -7.545 9.499 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.863 12.158 -9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.350 9.769 -8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.908 11.431 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.744 10.412 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.479 10.223 -6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.057 12.750 -6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.463 12.869 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.834 11.768 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.424 11.915 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.889 13.833 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.401 14.316 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.767 14.174 -6.237 1.00 0.00 H new ATOM 1212 N CYS A 79 -4.640 10.352 -11.412 1.00 0.00 N ATOM 1213 CA CYS A 79 -3.580 10.384 -12.448 1.00 0.00 C ATOM 1214 C CYS A 79 -2.217 9.877 -11.933 1.00 0.00 C ATOM 1215 O CYS A 79 -1.582 9.068 -12.612 1.00 0.00 O ATOM 1216 CB CYS A 79 -3.433 11.757 -13.139 1.00 0.00 C ATOM 1217 SG CYS A 79 -2.266 11.602 -14.518 1.00 0.00 S ATOM 0 H CYS A 79 -4.896 9.407 -11.127 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.923 9.683 -13.209 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -4.401 12.101 -13.502 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.077 12.501 -12.426 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.136 12.753 -15.108 1.00 0.00 H new ATOM 1223 N PRO A 80 -1.741 10.287 -10.771 1.00 0.00 N ATOM 1224 CA PRO A 80 -0.430 9.788 -10.238 1.00 0.00 C ATOM 1225 C PRO A 80 -0.424 8.274 -10.017 1.00 0.00 C ATOM 1226 O PRO A 80 0.432 7.563 -10.538 1.00 0.00 O ATOM 1227 CB PRO A 80 -0.278 10.510 -8.889 1.00 0.00 C ATOM 1228 CG PRO A 80 -1.180 11.681 -8.965 1.00 0.00 C ATOM 1229 CD PRO A 80 -2.351 11.245 -9.842 1.00 0.00 C ATOM 0 HA PRO A 80 0.381 9.985 -10.939 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.552 9.856 -8.061 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.754 10.819 -8.723 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.522 11.976 -7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.668 12.542 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.144 10.785 -9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.795 12.090 -10.369 1.00 0.00 H new ATOM 1237 N VAL A 81 -1.392 7.806 -9.231 1.00 0.00 N ATOM 1238 CA VAL A 81 -1.514 6.392 -8.919 1.00 0.00 C ATOM 1239 C VAL A 81 -1.783 5.608 -10.229 1.00 0.00 C ATOM 1240 O VAL A 81 -2.838 5.761 -10.841 1.00 0.00 O ATOM 1241 CB VAL A 81 -2.650 6.230 -7.890 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -3.991 6.332 -8.588 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -2.548 4.879 -7.164 1.00 0.00 C ATOM 0 H VAL A 81 -2.105 8.393 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.598 5.991 -8.485 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.558 7.026 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.791 6.217 -7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.077 7.306 -9.070 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.071 5.547 -9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.361 4.791 -6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.617 4.069 -7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.593 4.818 -6.642 1.00 0.00 H new ATOM 1253 N PRO A 82 -0.845 4.832 -10.725 1.00 0.00 N ATOM 1254 CA PRO A 82 -1.023 4.085 -12.024 1.00 0.00 C ATOM 1255 C PRO A 82 -2.196 3.113 -12.067 1.00 0.00 C ATOM 1256 O PRO A 82 -2.919 3.031 -13.058 1.00 0.00 O ATOM 1257 CB PRO A 82 0.289 3.304 -12.145 1.00 0.00 C ATOM 1258 CG PRO A 82 1.254 4.119 -11.386 1.00 0.00 C ATOM 1259 CD PRO A 82 0.492 4.557 -10.159 1.00 0.00 C ATOM 0 HA PRO A 82 -1.242 4.784 -12.831 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.197 2.301 -11.728 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.592 3.190 -13.186 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.139 3.541 -11.119 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.596 4.975 -11.968 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.462 3.780 -9.395 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.932 5.441 -9.697 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.319 2.330 -11.021 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.346 1.289 -10.963 1.00 0.00 C ATOM 1269 C PHE A 83 -4.748 1.830 -11.245 1.00 0.00 C ATOM 1270 O PHE A 83 -5.503 1.221 -12.002 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.322 0.614 -9.589 1.00 0.00 C ATOM 1272 CG PHE A 83 -1.912 0.635 -9.036 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -0.854 0.101 -9.783 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.664 1.203 -7.779 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.452 0.136 -9.275 1.00 0.00 C ATOM 1276 CE2 PHE A 83 -0.361 1.234 -7.269 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.697 0.702 -8.018 1.00 0.00 C ATOM 0 H PHE A 83 -1.726 2.386 -10.193 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.115 0.565 -11.744 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.998 1.130 -8.907 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.676 -0.414 -9.671 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.045 -0.338 -10.751 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.479 1.617 -7.204 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.268 -0.273 -9.852 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.171 1.668 -6.298 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.703 0.729 -7.625 1.00 0.00 H new ATOM 1287 N CYS A 84 -5.113 2.954 -10.643 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.446 3.488 -10.891 1.00 0.00 C ATOM 1289 C CYS A 84 -6.615 3.731 -12.380 1.00 0.00 C ATOM 1290 O CYS A 84 -7.635 3.389 -12.954 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.701 4.781 -10.113 1.00 0.00 C ATOM 1292 SG CYS A 84 -5.885 6.171 -10.939 1.00 0.00 S ATOM 0 H CYS A 84 -4.532 3.496 -10.004 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.176 2.756 -10.545 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.773 4.967 -10.042 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.327 4.682 -9.094 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.613 5.924 -11.049 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.599 4.298 -13.011 1.00 0.00 N ATOM 1299 CA LEU A 85 -5.674 4.539 -14.445 1.00 0.00 C ATOM 1300 C LEU A 85 -5.851 3.208 -15.177 1.00 0.00 C ATOM 1301 O LEU A 85 -6.557 3.122 -16.173 1.00 0.00 O ATOM 1302 CB LEU A 85 -4.392 5.211 -14.962 1.00 0.00 C ATOM 1303 CG LEU A 85 -4.268 6.657 -14.441 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -2.806 7.131 -14.576 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -5.170 7.597 -15.262 1.00 0.00 C ATOM 0 H LEU A 85 -4.730 4.595 -12.566 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.522 5.198 -14.632 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.523 4.633 -14.647 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.395 5.214 -16.052 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.575 6.679 -13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.719 8.153 -14.208 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.157 6.479 -13.992 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.508 7.097 -15.624 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.074 8.615 -14.885 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.868 7.568 -16.309 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.207 7.274 -15.174 1.00 0.00 H new ATOM 1317 N ASN A 86 -5.205 2.163 -14.675 1.00 0.00 N ATOM 1318 CA ASN A 86 -5.306 0.855 -15.300 1.00 0.00 C ATOM 1319 C ASN A 86 -6.726 0.336 -15.225 1.00 0.00 C ATOM 1320 O ASN A 86 -7.199 -0.319 -16.143 1.00 0.00 O ATOM 1321 CB ASN A 86 -4.336 -0.143 -14.660 1.00 0.00 C ATOM 1322 CG ASN A 86 -2.903 0.204 -15.050 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.688 0.994 -15.970 1.00 0.00 O ATOM 1324 ND2 ASN A 86 -1.905 -0.350 -14.416 1.00 0.00 N ATOM 0 H ASN A 86 -4.612 2.196 -13.846 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.031 0.965 -16.349 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.442 -0.122 -13.575 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.576 -1.156 -14.985 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.946 -0.129 -14.682 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.085 -1.004 -13.654 1.00 0.00 H new ATOM 1331 N ILE A 87 -7.404 0.626 -14.120 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.784 0.172 -13.941 1.00 0.00 C ATOM 1333 C ILE A 87 -9.800 1.249 -14.347 1.00 0.00 C ATOM 1334 O ILE A 87 -10.704 0.984 -15.139 1.00 0.00 O ATOM 1335 CB ILE A 87 -8.995 -0.216 -12.479 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -8.083 -1.400 -12.142 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -10.457 -0.614 -12.254 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -8.050 -1.605 -10.628 1.00 0.00 C ATOM 0 H ILE A 87 -7.029 1.167 -13.341 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.946 -0.689 -14.589 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.755 0.631 -11.837 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.445 -2.303 -12.634 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.076 -1.215 -12.516 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.602 -0.890 -11.210 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.105 0.227 -12.501 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.705 -1.463 -12.891 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.401 -2.447 -10.389 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.668 -0.705 -10.147 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.058 -1.809 -10.266 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.663 2.452 -13.794 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.606 3.540 -14.104 1.00 0.00 C ATOM 1352 C LYS A 88 -10.487 4.045 -15.550 1.00 0.00 C ATOM 1353 O LYS A 88 -11.502 4.276 -16.208 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.446 4.721 -13.108 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.220 4.446 -11.800 1.00 0.00 C ATOM 1356 CD LYS A 88 -12.701 4.830 -11.971 1.00 0.00 C ATOM 1357 CE LYS A 88 -13.457 4.568 -10.668 1.00 0.00 C ATOM 1358 NZ LYS A 88 -14.897 4.912 -10.849 1.00 0.00 N ATOM 0 H LYS A 88 -8.923 2.702 -13.138 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.603 3.114 -13.995 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.390 4.874 -12.885 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.812 5.640 -13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.138 3.392 -11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.781 5.016 -10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.784 5.882 -12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.145 4.253 -12.782 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.356 3.521 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.029 5.163 -9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.434 4.608 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.996 5.940 -10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.266 4.428 -11.692 1.00 0.00 H new ATOM 1372 N GLN A 89 -9.265 4.237 -16.042 1.00 0.00 N ATOM 1373 CA GLN A 89 -9.080 4.741 -17.410 1.00 0.00 C ATOM 1374 C GLN A 89 -9.123 3.602 -18.419 1.00 0.00 C ATOM 1375 O GLN A 89 -9.350 3.832 -19.606 1.00 0.00 O ATOM 1376 CB GLN A 89 -7.735 5.464 -17.524 1.00 0.00 C ATOM 1377 CG GLN A 89 -7.726 6.387 -18.744 1.00 0.00 C ATOM 1378 CD GLN A 89 -6.372 7.083 -18.845 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -5.331 6.442 -18.690 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -6.320 8.362 -19.093 1.00 0.00 N ATOM 0 H GLN A 89 -8.401 4.057 -15.530 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.892 5.435 -17.627 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.549 6.044 -16.620 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.929 4.735 -17.606 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.920 5.812 -19.650 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.522 7.127 -18.659 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.182 8.892 -19.221 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.417 8.832 -19.159 1.00 0.00 H new ATOM 1389 N LYS A 90 -8.875 2.385 -17.931 1.00 0.00 N ATOM 1390 CA LYS A 90 -8.858 1.175 -18.775 1.00 0.00 C ATOM 1391 C LYS A 90 -9.647 1.362 -20.077 1.00 0.00 C ATOM 1392 O LYS A 90 -10.845 1.578 -19.996 1.00 0.00 O ATOM 1393 CB LYS A 90 -9.439 -0.016 -17.982 1.00 0.00 C ATOM 1394 CG LYS A 90 -8.721 -1.322 -18.370 1.00 0.00 C ATOM 1395 CD LYS A 90 -9.203 -2.470 -17.479 1.00 0.00 C ATOM 1396 CE LYS A 90 -8.444 -3.748 -17.850 1.00 0.00 C ATOM 1397 NZ LYS A 90 -8.931 -4.886 -17.016 1.00 0.00 N ATOM 1398 OXT LYS A 90 -9.039 1.277 -21.132 1.00 0.00 O ATOM 0 H LYS A 90 -8.681 2.204 -16.946 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.821 0.979 -19.047 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.329 0.163 -16.912 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.507 -0.108 -18.182 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.916 -1.557 -19.416 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.643 -1.198 -18.266 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.037 -2.226 -16.430 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.275 -2.620 -17.606 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.587 -3.973 -18.907 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.375 -3.604 -17.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.413 -5.751 -17.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.773 -4.672 -16.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.947 -5.029 -17.184 1.00 0.00 H new ATOM 1572 N PRO B 12 -2.118 -11.188 14.951 1.00 0.00 N ATOM 1573 CA PRO B 12 -1.776 -10.102 15.924 1.00 0.00 C ATOM 1574 C PRO B 12 -1.148 -8.875 15.247 1.00 0.00 C ATOM 1575 O PRO B 12 0.032 -8.900 14.900 1.00 0.00 O ATOM 1576 CB PRO B 12 -0.772 -10.786 16.853 1.00 0.00 C ATOM 1577 CG PRO B 12 -1.226 -12.206 16.901 1.00 0.00 C ATOM 1578 CD PRO B 12 -1.755 -12.519 15.497 1.00 0.00 C ATOM 0 HA PRO B 12 -2.657 -9.709 16.432 1.00 0.00 H new ATOM 0 HB2 PRO B 12 0.245 -10.706 16.469 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -0.775 -10.333 17.845 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -0.404 -12.871 17.167 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -2.004 -12.343 17.652 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -0.999 -13.010 14.885 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -2.617 -13.185 15.534 1.00 0.00 H new ATOM 1586 N PRO B 13 -1.892 -7.804 15.051 1.00 0.00 N ATOM 1587 CA PRO B 13 -1.343 -6.573 14.401 1.00 0.00 C ATOM 1588 C PRO B 13 -0.097 -6.060 15.120 1.00 0.00 C ATOM 1589 O PRO B 13 -0.090 -5.902 16.341 1.00 0.00 O ATOM 1590 CB PRO B 13 -2.497 -5.555 14.491 1.00 0.00 C ATOM 1591 CG PRO B 13 -3.735 -6.378 14.653 1.00 0.00 C ATOM 1592 CD PRO B 13 -3.314 -7.639 15.410 1.00 0.00 C ATOM 0 HA PRO B 13 -1.024 -6.758 13.375 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -2.361 -4.879 15.335 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -2.549 -4.938 13.594 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -4.498 -5.829 15.205 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -4.164 -6.631 13.683 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -3.444 -7.523 16.486 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -3.906 -8.503 15.109 1.00 0.00 H new ATOM 1600 N LEU B 14 0.956 -5.803 14.349 1.00 0.00 N ATOM 1601 CA LEU B 14 2.219 -5.309 14.902 1.00 0.00 C ATOM 1602 C LEU B 14 2.397 -3.830 14.567 1.00 0.00 C ATOM 1603 O LEU B 14 3.426 -3.233 14.880 1.00 0.00 O ATOM 1604 CB LEU B 14 3.384 -6.109 14.315 1.00 0.00 C ATOM 1605 CG LEU B 14 3.117 -7.609 14.485 1.00 0.00 C ATOM 1606 CD1 LEU B 14 4.223 -8.407 13.786 1.00 0.00 C ATOM 1607 CD2 LEU B 14 3.081 -7.976 15.977 1.00 0.00 C ATOM 0 H LEU B 14 0.962 -5.928 13.337 1.00 0.00 H new ATOM 0 HA LEU B 14 2.202 -5.429 15.985 1.00 0.00 H new ATOM 0 HB2 LEU B 14 3.507 -5.869 13.259 1.00 0.00 H new ATOM 0 HB3 LEU B 14 4.314 -5.836 14.815 1.00 0.00 H new ATOM 0 HG LEU B 14 2.153 -7.851 14.039 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.034 -9.474 13.907 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.236 -8.158 12.725 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.187 -8.157 14.229 1.00 0.00 H new ATOM 0 HD21 LEU B 14 2.891 -9.044 16.085 1.00 0.00 H new ATOM 0 HD22 LEU B 14 4.039 -7.730 16.435 1.00 0.00 H new ATOM 0 HD23 LEU B 14 2.288 -7.415 16.471 1.00 0.00 H new ATOM 1619 N SER B 15 1.386 -3.258 13.911 1.00 0.00 N ATOM 1620 CA SER B 15 1.410 -1.848 13.502 1.00 0.00 C ATOM 1621 C SER B 15 2.080 -1.702 12.140 1.00 0.00 C ATOM 1622 O SER B 15 1.830 -0.740 11.415 1.00 0.00 O ATOM 1623 CB SER B 15 2.156 -0.990 14.532 1.00 0.00 C ATOM 1624 OG SER B 15 3.542 -0.981 14.219 1.00 0.00 O ATOM 0 H SER B 15 0.533 -3.752 13.649 1.00 0.00 H new ATOM 0 HA SER B 15 0.378 -1.502 13.438 1.00 0.00 H new ATOM 0 HB2 SER B 15 1.764 0.027 14.528 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.000 -1.388 15.535 1.00 0.00 H new ATOM 0 HG SER B 15 3.989 -1.712 14.694 1.00 0.00 H new ATOM 1630 N GLN B 16 2.923 -2.674 11.794 1.00 0.00 N ATOM 1631 CA GLN B 16 3.624 -2.671 10.511 1.00 0.00 C ATOM 1632 C GLN B 16 3.102 -3.817 9.660 1.00 0.00 C ATOM 1633 O GLN B 16 3.787 -4.309 8.763 1.00 0.00 O ATOM 1634 CB GLN B 16 5.130 -2.847 10.731 1.00 0.00 C ATOM 1635 CG GLN B 16 5.702 -1.594 11.401 1.00 0.00 C ATOM 1636 CD GLN B 16 7.199 -1.769 11.643 1.00 0.00 C ATOM 1637 OE1 GLN B 16 7.772 -2.797 11.279 1.00 0.00 O ATOM 1638 NE2 GLN B 16 7.870 -0.821 12.237 1.00 0.00 N ATOM 0 H GLN B 16 3.137 -3.476 12.387 1.00 0.00 H new ATOM 0 HA GLN B 16 3.449 -1.720 10.007 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.317 -3.722 11.354 1.00 0.00 H new ATOM 0 HB3 GLN B 16 5.629 -3.022 9.778 1.00 0.00 H new ATOM 0 HG2 GLN B 16 5.527 -0.722 10.771 1.00 0.00 H new ATOM 0 HG3 GLN B 16 5.191 -1.412 12.346 1.00 0.00 H new ATOM 0 HE21 GLN B 16 7.394 0.029 12.538 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.871 -0.930 12.401 1.00 0.00 H new ATOM 1647 N GLU B 17 1.888 -4.254 9.979 1.00 0.00 N ATOM 1648 CA GLU B 17 1.266 -5.365 9.275 1.00 0.00 C ATOM 1649 C GLU B 17 1.488 -5.272 7.770 1.00 0.00 C ATOM 1650 O GLU B 17 2.412 -5.880 7.233 1.00 0.00 O ATOM 1651 CB GLU B 17 -0.235 -5.399 9.569 1.00 0.00 C ATOM 1652 CG GLU B 17 -0.871 -6.591 8.848 1.00 0.00 C ATOM 1653 CD GLU B 17 -2.342 -6.702 9.216 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -2.744 -6.067 10.176 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -3.047 -7.421 8.528 1.00 0.00 O ATOM 0 H GLU B 17 1.316 -3.853 10.722 1.00 0.00 H new ATOM 0 HA GLU B 17 1.733 -6.283 9.631 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.404 -5.478 10.643 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -0.702 -4.470 9.240 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -0.766 -6.471 7.770 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.350 -7.509 9.119 1.00 0.00 H new ATOM 1662 N THR B 18 0.622 -4.527 7.088 1.00 0.00 N ATOM 1663 CA THR B 18 0.736 -4.400 5.642 1.00 0.00 C ATOM 1664 C THR B 18 2.119 -3.947 5.263 1.00 0.00 C ATOM 1665 O THR B 18 2.755 -4.554 4.398 1.00 0.00 O ATOM 1666 CB THR B 18 -0.285 -3.391 5.109 1.00 0.00 C ATOM 1667 OG1 THR B 18 -1.586 -3.757 5.543 1.00 0.00 O ATOM 1668 CG2 THR B 18 -0.236 -3.369 3.579 1.00 0.00 C ATOM 0 H THR B 18 -0.153 -4.011 7.506 1.00 0.00 H new ATOM 0 HA THR B 18 0.540 -5.378 5.202 1.00 0.00 H new ATOM 0 HB THR B 18 -0.045 -2.398 5.489 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.238 -3.110 5.203 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.964 -2.650 3.202 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.763 -3.081 3.251 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.472 -4.361 3.193 1.00 0.00 H new ATOM 1676 N PHE B 19 2.587 -2.888 5.913 1.00 0.00 N ATOM 1677 CA PHE B 19 3.911 -2.361 5.628 1.00 0.00 C ATOM 1678 C PHE B 19 4.889 -3.498 5.412 1.00 0.00 C ATOM 1679 O PHE B 19 5.586 -3.559 4.386 1.00 0.00 O ATOM 1680 CB PHE B 19 4.375 -1.493 6.800 1.00 0.00 C ATOM 1681 CG PHE B 19 3.554 -0.227 6.826 1.00 0.00 C ATOM 1682 CD1 PHE B 19 2.283 -0.229 7.411 1.00 0.00 C ATOM 1683 CD2 PHE B 19 4.061 0.945 6.257 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.517 0.942 7.426 1.00 0.00 C ATOM 1685 CE2 PHE B 19 3.298 2.117 6.272 1.00 0.00 C ATOM 1686 CZ PHE B 19 2.025 2.117 6.855 1.00 0.00 C ATOM 0 H PHE B 19 2.073 -2.383 6.634 1.00 0.00 H new ATOM 0 HA PHE B 19 3.869 -1.757 4.722 1.00 0.00 H new ATOM 0 HB2 PHE B 19 4.261 -2.035 7.739 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.433 -1.254 6.696 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.893 -1.135 7.851 1.00 0.00 H new ATOM 0 HD2 PHE B 19 5.042 0.945 5.806 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.536 0.940 7.877 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.691 3.022 5.834 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.435 3.022 6.865 1.00 0.00 H new ATOM 1696 N SER B 20 4.933 -4.396 6.403 1.00 0.00 N ATOM 1697 CA SER B 20 5.823 -5.548 6.376 1.00 0.00 C ATOM 1698 C SER B 20 6.036 -6.043 4.959 1.00 0.00 C ATOM 1699 O SER B 20 7.151 -6.049 4.451 1.00 0.00 O ATOM 1700 CB SER B 20 5.215 -6.674 7.208 1.00 0.00 C ATOM 1701 OG SER B 20 6.187 -7.691 7.403 1.00 0.00 O ATOM 0 H SER B 20 4.353 -4.340 7.240 1.00 0.00 H new ATOM 0 HA SER B 20 6.786 -5.245 6.787 1.00 0.00 H new ATOM 0 HB2 SER B 20 4.877 -6.289 8.170 1.00 0.00 H new ATOM 0 HB3 SER B 20 4.340 -7.083 6.703 1.00 0.00 H new ATOM 0 HG SER B 20 5.800 -8.415 7.938 1.00 0.00 H new ATOM 1707 N ASP B 21 4.951 -6.455 4.335 1.00 0.00 N ATOM 1708 CA ASP B 21 5.013 -6.968 2.981 1.00 0.00 C ATOM 1709 C ASP B 21 5.466 -5.912 1.969 1.00 0.00 C ATOM 1710 O ASP B 21 6.255 -6.210 1.074 1.00 0.00 O ATOM 1711 CB ASP B 21 3.632 -7.502 2.583 1.00 0.00 C ATOM 1712 CG ASP B 21 3.336 -8.807 3.318 1.00 0.00 C ATOM 1713 OD1 ASP B 21 4.273 -9.418 3.806 1.00 0.00 O ATOM 1714 OD2 ASP B 21 2.176 -9.182 3.374 1.00 0.00 O ATOM 0 H ASP B 21 4.016 -6.445 4.743 1.00 0.00 H new ATOM 0 HA ASP B 21 5.756 -7.766 2.965 1.00 0.00 H new ATOM 0 HB2 ASP B 21 2.867 -6.762 2.819 1.00 0.00 H new ATOM 0 HB3 ASP B 21 3.595 -7.667 1.506 1.00 0.00 H new ATOM 1719 N LEU B 22 4.934 -4.701 2.070 1.00 0.00 N ATOM 1720 CA LEU B 22 5.267 -3.661 1.099 1.00 0.00 C ATOM 1721 C LEU B 22 6.752 -3.608 0.757 1.00 0.00 C ATOM 1722 O LEU B 22 7.133 -3.877 -0.380 1.00 0.00 O ATOM 1723 CB LEU B 22 4.859 -2.283 1.612 1.00 0.00 C ATOM 1724 CG LEU B 22 3.404 -2.300 2.063 1.00 0.00 C ATOM 1725 CD1 LEU B 22 2.979 -0.886 2.513 1.00 0.00 C ATOM 1726 CD2 LEU B 22 2.489 -2.775 0.918 1.00 0.00 C ATOM 0 H LEU B 22 4.281 -4.415 2.800 1.00 0.00 H new ATOM 0 HA LEU B 22 4.712 -3.923 0.198 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.502 -1.991 2.443 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.995 -1.539 0.827 1.00 0.00 H new ATOM 0 HG LEU B 22 3.308 -2.992 2.899 1.00 0.00 H new ATOM 0 HD11 LEU B 22 1.938 -0.904 2.834 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.609 -0.563 3.342 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.090 -0.191 1.681 1.00 0.00 H new ATOM 0 HD21 LEU B 22 1.454 -2.781 1.258 1.00 0.00 H new ATOM 0 HD22 LEU B 22 2.588 -2.099 0.069 1.00 0.00 H new ATOM 0 HD23 LEU B 22 2.777 -3.782 0.616 1.00 0.00 H new ATOM 1738 N TRP B 23 7.590 -3.190 1.711 1.00 0.00 N ATOM 1739 CA TRP B 23 9.031 -3.035 1.408 1.00 0.00 C ATOM 1740 C TRP B 23 9.887 -4.292 1.668 1.00 0.00 C ATOM 1741 O TRP B 23 11.016 -4.354 1.181 1.00 0.00 O ATOM 1742 CB TRP B 23 9.611 -1.811 2.169 1.00 0.00 C ATOM 1743 CG TRP B 23 10.266 -2.231 3.449 1.00 0.00 C ATOM 1744 CD1 TRP B 23 11.600 -2.354 3.649 1.00 0.00 C ATOM 1745 CD2 TRP B 23 9.631 -2.578 4.701 1.00 0.00 C ATOM 1746 NE1 TRP B 23 11.817 -2.769 4.952 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.629 -2.923 5.640 1.00 0.00 C ATOM 1748 CE3 TRP B 23 8.294 -2.635 5.095 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 10.296 -3.307 6.940 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 7.951 -3.019 6.395 1.00 0.00 C ATOM 1751 CH2 TRP B 23 8.950 -3.361 7.318 1.00 0.00 C ATOM 0 H TRP B 23 7.318 -2.959 2.666 1.00 0.00 H new ATOM 0 HA TRP B 23 9.087 -2.871 0.332 1.00 0.00 H new ATOM 0 HB2 TRP B 23 10.336 -1.297 1.538 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.813 -1.100 2.382 1.00 0.00 H new ATOM 0 HD1 TRP B 23 12.367 -2.160 2.914 1.00 0.00 H new ATOM 0 HE1 TRP B 23 12.739 -2.940 5.354 1.00 0.00 H new ATOM 0 HE3 TRP B 23 7.517 -2.380 4.390 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 11.071 -3.560 7.648 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 6.912 -3.052 6.690 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.681 -3.665 8.319 1.00 0.00 H new ATOM 1762 N LYS B 24 9.407 -5.276 2.436 1.00 0.00 N ATOM 1763 CA LYS B 24 10.249 -6.461 2.706 1.00 0.00 C ATOM 1764 C LYS B 24 10.067 -7.579 1.674 1.00 0.00 C ATOM 1765 O LYS B 24 10.833 -8.540 1.683 1.00 0.00 O ATOM 1766 CB LYS B 24 10.003 -7.022 4.114 1.00 0.00 C ATOM 1767 CG LYS B 24 10.298 -5.934 5.163 1.00 0.00 C ATOM 1768 CD LYS B 24 10.412 -6.550 6.576 1.00 0.00 C ATOM 1769 CE LYS B 24 9.021 -6.839 7.170 1.00 0.00 C ATOM 1770 NZ LYS B 24 9.099 -8.073 8.001 1.00 0.00 N ATOM 0 H LYS B 24 8.483 -5.286 2.868 1.00 0.00 H new ATOM 0 HA LYS B 24 11.277 -6.105 2.632 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.971 -7.360 4.206 1.00 0.00 H new ATOM 0 HB3 LYS B 24 10.639 -7.890 4.287 1.00 0.00 H new ATOM 0 HG2 LYS B 24 11.225 -5.420 4.910 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.505 -5.186 5.150 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.989 -7.473 6.528 1.00 0.00 H new ATOM 0 HD3 LYS B 24 10.956 -5.868 7.230 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.687 -5.997 7.776 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.289 -6.967 6.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 8.139 -8.430 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 9.649 -8.797 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 9.564 -7.854 8.905 1.00 0.00 H new ATOM 1784 N LEU B 25 9.076 -7.480 0.779 1.00 0.00 N ATOM 1785 CA LEU B 25 8.883 -8.540 -0.232 1.00 0.00 C ATOM 1786 C LEU B 25 9.638 -8.247 -1.540 1.00 0.00 C ATOM 1787 O LEU B 25 9.617 -9.066 -2.459 1.00 0.00 O ATOM 1788 CB LEU B 25 7.388 -8.738 -0.511 1.00 0.00 C ATOM 1789 CG LEU B 25 6.740 -9.609 0.586 1.00 0.00 C ATOM 1790 CD1 LEU B 25 5.208 -9.661 0.387 1.00 0.00 C ATOM 1791 CD2 LEU B 25 7.320 -11.045 0.552 1.00 0.00 C ATOM 0 H LEU B 25 8.413 -6.707 0.728 1.00 0.00 H new ATOM 0 HA LEU B 25 9.300 -9.459 0.179 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.890 -7.770 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU B 25 7.254 -9.210 -1.484 1.00 0.00 H new ATOM 0 HG LEU B 25 6.962 -9.163 1.556 1.00 0.00 H new ATOM 0 HD11 LEU B 25 4.761 -10.278 1.166 1.00 0.00 H new ATOM 0 HD12 LEU B 25 4.799 -8.652 0.444 1.00 0.00 H new ATOM 0 HD13 LEU B 25 4.982 -10.090 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU B 25 6.852 -11.645 1.332 1.00 0.00 H new ATOM 0 HD22 LEU B 25 7.121 -11.495 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU B 25 8.396 -11.007 0.720 1.00 0.00 H new ATOM 1803 N LEU B 26 10.313 -7.098 -1.603 1.00 0.00 N ATOM 1804 CA LEU B 26 11.109 -6.704 -2.782 1.00 0.00 C ATOM 1805 C LEU B 26 11.629 -7.922 -3.569 1.00 0.00 C ATOM 1806 O LEU B 26 12.555 -8.586 -3.107 1.00 0.00 O ATOM 1807 CB LEU B 26 12.331 -5.882 -2.288 1.00 0.00 C ATOM 1808 CG LEU B 26 12.269 -4.457 -2.832 1.00 0.00 C ATOM 1809 CD1 LEU B 26 13.332 -3.597 -2.147 1.00 0.00 C ATOM 1810 CD2 LEU B 26 12.485 -4.450 -4.359 1.00 0.00 C ATOM 0 H LEU B 26 10.328 -6.414 -0.847 1.00 0.00 H new ATOM 0 HA LEU B 26 10.468 -6.125 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU B 26 12.347 -5.862 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU B 26 13.255 -6.362 -2.612 1.00 0.00 H new ATOM 0 HG LEU B 26 11.282 -4.044 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU B 26 13.285 -2.581 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU B 26 13.150 -3.581 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.319 -4.015 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU B 26 12.437 -3.426 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU B 26 13.462 -4.874 -4.590 1.00 0.00 H new ATOM 0 HD23 LEU B 26 11.708 -5.045 -4.839 1.00 0.00 H new ATOM 1822 N PRO B 27 11.117 -8.219 -4.748 1.00 0.00 N ATOM 1823 CA PRO B 27 11.650 -9.361 -5.528 1.00 0.00 C ATOM 1824 C PRO B 27 13.132 -9.125 -5.759 1.00 0.00 C ATOM 1825 O PRO B 27 13.955 -10.037 -5.698 1.00 0.00 O ATOM 1826 CB PRO B 27 10.871 -9.328 -6.860 1.00 0.00 C ATOM 1827 CG PRO B 27 9.654 -8.496 -6.598 1.00 0.00 C ATOM 1828 CD PRO B 27 10.028 -7.531 -5.462 1.00 0.00 C ATOM 0 HA PRO B 27 11.536 -10.324 -5.031 1.00 0.00 H new ATOM 0 HB2 PRO B 27 11.476 -8.896 -7.657 1.00 0.00 H new ATOM 0 HB3 PRO B 27 10.596 -10.334 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO B 27 9.358 -7.948 -7.492 1.00 0.00 H new ATOM 0 HG3 PRO B 27 8.809 -9.122 -6.314 1.00 0.00 H new ATOM 0 HD2 PRO B 27 10.354 -6.566 -5.850 1.00 0.00 H new ATOM 0 HD3 PRO B 27 9.179 -7.341 -4.805 1.00 0.00 H new