USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ 150:sc= 1.18 (180deg=-0.378) USER MOD Set 1.2: A 82 SER OG : rot -60:sc= 0.725 USER MOD Set 2.1: A 16 TYR OH : rot 61:sc= 0.956 USER MOD Set 2.2: A 65 ASN : amide:sc= -1.65 K(o=1.1,f=-0.19) USER MOD Set 2.3: A 72 LYS NZ :NH3+ -145:sc= 1.76 (180deg=0.062) USER MOD Single : A 5 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0681 K(o=-0.068,f=-1.1!) USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= 0.748 (180deg=-0.63!) USER MOD Single : A 33 ASN : amide:sc= 0.277 K(o=0.28,f=-2.5) USER MOD Single : A 35 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-1.3!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 41 GLN : amide:sc= 0.0703 K(o=0.07,f=-5.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.308 K(o=0.31,f=-2.2) USER MOD Single : A 46 SER OG : rot 71:sc= 0.0341 USER MOD Single : A 49 ASN : amide:sc= 0.144 X(o=0.14,f=-0.05) USER MOD Single : A 59 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.01) USER MOD Single : A 60 ASN : amide:sc= 0.215 X(o=0.21,f=-0.18) USER MOD Single : A 62 ASN : amide:sc= 0.254 K(o=0.25,f=-7.3!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.00839 X(o=-0.0084,f=-0.1) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0605 USER MOD Single : A 84 ASN : amide:sc= -0.169! K(o=-0.17!,f=-0.75) USER MOD Single : A 88 SER OG : rot -161:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 11.571 -4.303 -5.221 1.00 -0.46 N ATOM 23 CA ASP A 2 12.106 -3.013 -5.669 1.00 0.04 C ATOM 24 C ASP A 2 11.061 -2.116 -6.316 1.00 0.62 C ATOM 25 O ASP A 2 11.195 -1.782 -7.482 1.00 -0.50 O ATOM 26 CB ASP A 2 13.315 -3.261 -6.615 1.00 -0.40 C ATOM 27 CG ASP A 2 14.321 -4.162 -5.951 1.00 0.71 C ATOM 28 OD1 ASP A 2 14.024 -5.383 -5.844 1.00 -0.72 O ATOM 29 OD2 ASP A 2 15.399 -3.661 -5.534 1.00 -0.72 O ATOM 0 HA ASP A 2 12.438 -2.468 -4.786 1.00 0.04 H new ATOM 0 HB2 ASP A 2 12.971 -3.712 -7.546 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 13.783 -2.311 -6.875 1.00 -0.40 H new ATOM 34 N CYS A 3 10.011 -1.679 -5.579 1.00 -0.46 N ATOM 35 CA CYS A 3 9.069 -0.689 -6.109 1.00 0.04 C ATOM 36 C CYS A 3 8.665 -0.920 -7.552 1.00 0.62 C ATOM 37 O CYS A 3 8.713 0.018 -8.331 1.00 -0.50 O ATOM 38 CB CYS A 3 9.722 0.705 -5.904 1.00 -0.10 C ATOM 39 SG CYS A 3 8.673 2.110 -6.430 1.00 0.82 S ATOM 0 H CYS A 3 9.805 -1.996 -4.632 1.00 -0.46 H new ATOM 0 HA CYS A 3 8.127 -0.772 -5.567 1.00 0.04 H new ATOM 0 HB2 CYS A 3 9.970 0.826 -4.849 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 10.660 0.739 -6.458 1.00 -0.10 H new ATOM 44 N GLY A 4 8.253 -2.156 -7.911 1.00 -0.46 N ATOM 45 CA GLY A 4 7.871 -2.455 -9.293 1.00 0.04 C ATOM 46 C GLY A 4 6.614 -3.292 -9.309 1.00 0.62 C ATOM 47 O GLY A 4 5.552 -2.783 -9.629 1.00 -0.50 O ATOM 0 H GLY A 4 8.180 -2.945 -7.269 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 7.708 -1.528 -9.843 1.00 0.04 H new ATOM 0 HA3 GLY A 4 8.679 -2.987 -9.796 1.00 0.04 H new ATOM 51 N HIS A 5 6.690 -4.591 -8.940 1.00 -0.46 N ATOM 52 CA HIS A 5 5.461 -5.380 -8.873 1.00 0.04 C ATOM 53 C HIS A 5 4.509 -4.721 -7.895 1.00 0.62 C ATOM 54 O HIS A 5 3.323 -4.671 -8.176 1.00 -0.50 O ATOM 55 CB HIS A 5 5.747 -6.864 -8.519 1.00 -0.10 C ATOM 56 CG HIS A 5 4.559 -7.779 -8.687 1.00 0.06 C ATOM 57 ND1 HIS A 5 3.803 -7.879 -9.742 1.00 -0.06 N ATOM 58 CD2 HIS A 5 4.084 -8.660 -7.801 1.00 -0.04 C ATOM 59 CE1 HIS A 5 2.871 -8.772 -9.587 1.00 0.11 C ATOM 60 NE2 HIS A 5 3.075 -9.234 -8.389 1.00 -0.06 N ATOM 0 H HIS A 5 7.548 -5.086 -8.697 1.00 -0.46 H new ATOM 0 HA HIS A 5 4.990 -5.402 -9.856 1.00 0.04 H new ATOM 0 HB2 HIS A 5 6.562 -7.225 -9.147 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 6.092 -6.920 -7.486 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 4.459 -8.854 -6.807 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 2.105 -9.063 -10.290 1.00 0.11 H new ATOM 0 HE2 HIS A 5 2.508 -9.964 -7.958 1.00 -0.06 H new ATOM 69 N VAL A 6 5.001 -4.173 -6.759 1.00 -0.46 N ATOM 70 CA VAL A 6 4.125 -3.402 -5.872 1.00 0.04 C ATOM 71 C VAL A 6 3.459 -2.313 -6.689 1.00 0.62 C ATOM 72 O VAL A 6 2.242 -2.209 -6.667 1.00 -0.50 O ATOM 73 CB VAL A 6 4.894 -2.766 -4.668 1.00 -0.01 C ATOM 74 CG1 VAL A 6 4.011 -1.737 -3.905 1.00 -0.09 C ATOM 75 CG2 VAL A 6 5.391 -3.854 -3.675 1.00 -0.09 C ATOM 0 H VAL A 6 5.970 -4.251 -6.449 1.00 -0.46 H new ATOM 0 HA VAL A 6 3.387 -4.082 -5.447 1.00 0.04 H new ATOM 0 HB VAL A 6 5.756 -2.247 -5.087 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 4.578 -1.316 -3.075 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 3.714 -0.938 -4.584 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 3.121 -2.236 -3.520 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 5.921 -3.379 -2.850 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 4.537 -4.409 -3.286 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 6.063 -4.539 -4.192 1.00 -0.09 H new ATOM 85 N ASP A 7 4.248 -1.491 -7.420 1.00 -0.46 N ATOM 86 CA ASP A 7 3.658 -0.398 -8.196 1.00 0.04 C ATOM 87 C ASP A 7 2.537 -0.931 -9.074 1.00 0.62 C ATOM 88 O ASP A 7 1.441 -0.389 -9.085 1.00 -0.50 O ATOM 89 CB ASP A 7 4.748 0.342 -9.022 1.00 -0.40 C ATOM 90 CG ASP A 7 4.212 1.569 -9.707 1.00 0.71 C ATOM 91 OD1 ASP A 7 3.038 1.529 -10.159 1.00 -0.72 O ATOM 92 OD2 ASP A 7 4.960 2.577 -9.805 1.00 -0.72 O ATOM 0 H ASP A 7 5.263 -1.566 -7.483 1.00 -0.46 H new ATOM 0 HA ASP A 7 3.226 0.334 -7.514 1.00 0.04 H new ATOM 0 HB2 ASP A 7 5.569 0.626 -8.364 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 5.159 -0.338 -9.769 1.00 -0.40 H new ATOM 97 N SER A 8 2.787 -2.024 -9.828 1.00 -0.46 N ATOM 98 CA SER A 8 1.725 -2.592 -10.662 1.00 0.04 C ATOM 99 C SER A 8 0.538 -3.039 -9.833 1.00 0.62 C ATOM 100 O SER A 8 -0.593 -2.744 -10.186 1.00 -0.50 O ATOM 101 CB SER A 8 2.240 -3.809 -11.471 1.00 0.02 C ATOM 102 OG SER A 8 1.161 -4.322 -12.272 1.00 -0.55 O ATOM 0 H SER A 8 3.683 -2.510 -9.872 1.00 -0.46 H new ATOM 0 HA SER A 8 1.412 -1.800 -11.342 1.00 0.04 H new ATOM 0 HB2 SER A 8 3.075 -3.514 -12.107 1.00 0.02 H new ATOM 0 HB3 SER A 8 2.610 -4.581 -10.797 1.00 0.02 H new ATOM 0 HG SER A 8 1.476 -5.092 -12.790 1.00 -0.55 H new ATOM 108 N LEU A 9 0.771 -3.767 -8.721 1.00 -0.46 N ATOM 109 CA LEU A 9 -0.344 -4.307 -7.938 1.00 0.04 C ATOM 110 C LEU A 9 -1.172 -3.242 -7.253 1.00 0.62 C ATOM 111 O LEU A 9 -2.356 -3.469 -7.054 1.00 -0.50 O ATOM 112 CB LEU A 9 0.170 -5.243 -6.815 1.00 -0.06 C ATOM 113 CG LEU A 9 0.811 -6.575 -7.310 1.00 -0.01 C ATOM 114 CD1 LEU A 9 1.511 -7.228 -6.089 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -0.231 -7.540 -7.947 1.00 -0.11 C ATOM 0 H LEU A 9 1.698 -3.987 -8.357 1.00 -0.46 H new ATOM 0 HA LEU A 9 -0.960 -4.836 -8.665 1.00 0.04 H new ATOM 0 HB2 LEU A 9 0.906 -4.702 -6.220 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -0.662 -5.482 -6.152 1.00 -0.06 H new ATOM 0 HG LEU A 9 1.529 -6.363 -8.103 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 1.974 -8.166 -6.394 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 2.276 -6.554 -5.705 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 0.775 -7.423 -5.309 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 0.270 -8.451 -8.274 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -0.994 -7.790 -7.210 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -0.699 -7.056 -8.804 1.00 -0.11 H new ATOM 127 N VAL A 10 -0.602 -2.086 -6.851 1.00 -0.46 N ATOM 128 CA VAL A 10 -1.439 -1.060 -6.222 1.00 0.04 C ATOM 129 C VAL A 10 -2.372 -0.432 -7.237 1.00 0.62 C ATOM 130 O VAL A 10 -3.484 -0.102 -6.858 1.00 -0.50 O ATOM 131 CB VAL A 10 -0.666 0.037 -5.434 1.00 -0.01 C ATOM 132 CG1 VAL A 10 0.139 -0.598 -4.267 1.00 -0.09 C ATOM 133 CG2 VAL A 10 0.268 0.882 -6.337 1.00 -0.09 C ATOM 0 H VAL A 10 0.386 -1.852 -6.947 1.00 -0.46 H new ATOM 0 HA VAL A 10 -2.015 -1.595 -5.467 1.00 0.04 H new ATOM 0 HB VAL A 10 -1.414 0.718 -5.029 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 0.674 0.183 -3.726 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 -0.545 -1.106 -3.588 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 0.854 -1.317 -4.667 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 0.780 1.630 -5.732 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 1.004 0.231 -6.809 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 -0.322 1.380 -7.106 1.00 -0.09 H new ATOM 143 N ARG A 11 -1.975 -0.253 -8.518 1.00 -0.46 N ATOM 144 CA ARG A 11 -2.874 0.375 -9.497 1.00 0.04 C ATOM 145 C ARG A 11 -4.346 -0.005 -9.355 1.00 0.62 C ATOM 146 O ARG A 11 -5.144 0.898 -9.154 1.00 -0.50 O ATOM 147 CB ARG A 11 -2.374 0.229 -10.972 1.00 -0.08 C ATOM 148 CG ARG A 11 -1.933 1.575 -11.620 1.00 -0.10 C ATOM 149 CD ARG A 11 -0.659 2.212 -10.988 1.00 -0.23 C ATOM 150 NE ARG A 11 0.570 1.457 -11.266 1.00 -0.32 N ATOM 151 CZ ARG A 11 1.225 1.488 -12.409 1.00 0.76 C ATOM 152 NH1 ARG A 11 0.827 2.169 -13.456 1.00 -0.62 N ATOM 153 NH2 ARG A 11 2.340 0.808 -12.520 1.00 -0.62 N ATOM 0 H ARG A 11 -1.064 -0.528 -8.885 1.00 -0.46 H new ATOM 0 HA ARG A 11 -2.829 1.434 -9.244 1.00 0.04 H new ATOM 0 HB2 ARG A 11 -1.535 -0.467 -10.995 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 -3.169 -0.210 -11.574 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 -1.752 1.410 -12.682 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 -2.755 2.287 -11.544 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 -0.545 3.229 -11.365 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 -0.795 2.285 -9.909 1.00 -0.23 H new ATOM 0 HE ARG A 11 0.943 0.867 -10.522 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 -0.034 2.714 -13.413 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 1.378 2.153 -14.314 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 2.688 0.266 -11.729 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 2.860 0.821 -13.397 1.00 -0.62 H new ATOM 167 N PRO A 12 -4.805 -1.281 -9.427 1.00 -0.23 N ATOM 168 CA PRO A 12 -6.229 -1.551 -9.242 1.00 0.04 C ATOM 169 C PRO A 12 -6.739 -1.078 -7.895 1.00 0.53 C ATOM 170 O PRO A 12 -7.907 -0.736 -7.797 1.00 -0.50 O ATOM 171 CB PRO A 12 -6.252 -3.096 -9.392 1.00 -0.12 C ATOM 172 CG PRO A 12 -4.807 -3.527 -9.050 1.00 -0.12 C ATOM 173 CD PRO A 12 -3.938 -2.417 -9.686 1.00 -0.01 C ATOM 0 HA PRO A 12 -6.883 -1.028 -9.940 1.00 0.04 H new ATOM 0 HB2 PRO A 12 -6.975 -3.552 -8.716 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 -6.529 -3.395 -10.403 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 -4.652 -3.591 -7.973 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 -4.572 -4.507 -9.464 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 -2.962 -2.320 -9.210 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 -3.760 -2.578 -10.749 1.00 -0.01 H new ATOM 181 N CYS A 13 -5.899 -1.027 -6.836 1.00 -0.46 N ATOM 182 CA CYS A 13 -6.355 -0.466 -5.564 1.00 0.04 C ATOM 183 C CYS A 13 -6.551 1.035 -5.681 1.00 0.62 C ATOM 184 O CYS A 13 -7.511 1.540 -5.119 1.00 -0.50 O ATOM 185 CB CYS A 13 -5.342 -0.735 -4.418 1.00 -0.10 C ATOM 186 SG CYS A 13 -4.827 -2.484 -4.360 1.00 0.82 S ATOM 0 H CYS A 13 -4.934 -1.358 -6.843 1.00 -0.46 H new ATOM 0 HA CYS A 13 -7.300 -0.955 -5.328 1.00 0.04 H new ATOM 0 HB2 CYS A 13 -4.465 -0.103 -4.554 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 -5.791 -0.457 -3.464 1.00 -0.10 H new ATOM 191 N LEU A 14 -5.649 1.761 -6.389 1.00 -0.46 N ATOM 192 CA LEU A 14 -5.730 3.226 -6.432 1.00 0.04 C ATOM 193 C LEU A 14 -7.144 3.737 -6.622 1.00 0.62 C ATOM 194 O LEU A 14 -7.485 4.727 -5.996 1.00 -0.50 O ATOM 195 CB LEU A 14 -4.787 3.898 -7.479 1.00 -0.06 C ATOM 196 CG LEU A 14 -3.389 4.306 -6.916 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -2.634 3.119 -6.260 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -2.511 4.913 -8.047 1.00 -0.11 C ATOM 0 H LEU A 14 -4.878 1.359 -6.923 1.00 -0.46 H new ATOM 0 HA LEU A 14 -5.377 3.523 -5.444 1.00 0.04 H new ATOM 0 HB2 LEU A 14 -4.643 3.212 -8.314 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 -5.279 4.786 -7.877 1.00 -0.06 H new ATOM 0 HG LEU A 14 -3.571 5.049 -6.139 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 -1.669 3.463 -5.887 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 -3.224 2.726 -5.432 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 -2.478 2.334 -7.000 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 -1.539 5.194 -7.642 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 -2.375 4.175 -8.838 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 -3.003 5.796 -8.455 1.00 -0.11 H new ATOM 210 N SER A 15 -7.989 3.101 -7.462 1.00 -0.46 N ATOM 211 CA SER A 15 -9.358 3.601 -7.627 1.00 0.04 C ATOM 212 C SER A 15 -10.014 3.841 -6.280 1.00 0.62 C ATOM 213 O SER A 15 -10.553 4.911 -6.044 1.00 -0.50 O ATOM 214 CB SER A 15 -10.242 2.619 -8.444 1.00 0.02 C ATOM 215 OG SER A 15 -9.875 2.590 -9.835 1.00 -0.55 O ATOM 0 H SER A 15 -7.755 2.275 -8.013 1.00 -0.46 H new ATOM 0 HA SER A 15 -9.280 4.541 -8.174 1.00 0.04 H new ATOM 0 HB2 SER A 15 -10.152 1.617 -8.025 1.00 0.02 H new ATOM 0 HB3 SER A 15 -11.288 2.911 -8.351 1.00 0.02 H new ATOM 0 HG SER A 15 -10.453 1.959 -10.313 1.00 -0.55 H new ATOM 221 N TYR A 16 -9.974 2.843 -5.372 1.00 -0.46 N ATOM 222 CA TYR A 16 -10.598 3.012 -4.057 1.00 0.04 C ATOM 223 C TYR A 16 -9.807 3.966 -3.189 1.00 0.62 C ATOM 224 O TYR A 16 -10.397 4.793 -2.511 1.00 -0.50 O ATOM 225 CB TYR A 16 -10.684 1.633 -3.356 1.00 -0.10 C ATOM 226 CG TYR A 16 -11.422 1.703 -2.016 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -10.755 2.088 -0.848 1.00 0.00 C ATOM 228 CD2 TYR A 16 -12.775 1.358 -1.948 1.00 0.00 C ATOM 229 CE1 TYR A 16 -11.416 2.039 0.381 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -13.466 1.423 -0.738 1.00 -0.26 C ATOM 231 CZ TYR A 16 -12.780 1.737 0.436 1.00 0.46 C ATOM 232 OH TYR A 16 -13.463 1.734 1.649 1.00 -0.53 O ATOM 0 H TYR A 16 -9.528 1.939 -5.525 1.00 -0.46 H new ATOM 0 HA TYR A 16 -11.594 3.430 -4.201 1.00 0.04 H new ATOM 0 HB2 TYR A 16 -11.193 0.927 -4.012 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 -9.677 1.248 -3.193 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 -9.729 2.423 -0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.291 1.038 -2.841 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.871 2.235 1.293 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 -14.528 1.231 -0.710 1.00 -0.26 H new ATOM 0 HH TYR A 16 -13.416 2.626 2.053 1.00 -0.53 H new ATOM 242 N VAL A 17 -8.459 3.856 -3.198 1.00 -0.46 N ATOM 243 CA VAL A 17 -7.631 4.730 -2.358 1.00 0.04 C ATOM 244 C VAL A 17 -7.982 6.167 -2.681 1.00 0.62 C ATOM 245 O VAL A 17 -8.163 6.974 -1.783 1.00 -0.50 O ATOM 246 CB VAL A 17 -6.102 4.541 -2.609 1.00 -0.01 C ATOM 247 CG1 VAL A 17 -5.217 5.466 -1.726 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -5.622 3.074 -2.421 1.00 -0.09 C ATOM 0 H VAL A 17 -7.938 3.186 -3.765 1.00 -0.46 H new ATOM 0 HA VAL A 17 -7.833 4.474 -1.318 1.00 0.04 H new ATOM 0 HB VAL A 17 -5.977 4.821 -3.655 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 -4.166 5.285 -1.949 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 -5.458 6.508 -1.935 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 -5.406 5.254 -0.674 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 -4.550 3.015 -2.611 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 -5.828 2.752 -1.400 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 -6.151 2.426 -3.120 1.00 -0.09 H new ATOM 258 N GLN A 18 -8.076 6.496 -3.988 1.00 -0.46 N ATOM 259 CA GLN A 18 -8.426 7.855 -4.386 1.00 0.04 C ATOM 260 C GLN A 18 -9.869 8.115 -4.020 1.00 0.62 C ATOM 261 O GLN A 18 -10.156 9.127 -3.400 1.00 -0.50 O ATOM 262 CB GLN A 18 -8.170 8.076 -5.903 1.00 -0.10 C ATOM 263 CG GLN A 18 -6.649 8.012 -6.220 1.00 -0.10 C ATOM 264 CD GLN A 18 -6.346 8.020 -7.698 1.00 0.68 C ATOM 265 OE1 GLN A 18 -7.236 8.223 -8.507 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -5.074 7.798 -8.084 1.00 -0.87 N ATOM 0 H GLN A 18 -7.917 5.849 -4.760 1.00 -0.46 H new ATOM 0 HA GLN A 18 -7.793 8.566 -3.855 1.00 0.04 H new ATOM 0 HB2 GLN A 18 -8.699 7.318 -6.480 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 -8.569 9.044 -6.207 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 -6.151 8.860 -5.750 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 -6.230 7.109 -5.775 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 -4.351 7.631 -7.385 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 -4.835 7.797 -9.076 1.00 -0.87 H new ATOM 275 N GLY A 19 -10.789 7.198 -4.391 1.00 -0.46 N ATOM 276 CA GLY A 19 -12.197 7.387 -4.048 1.00 0.04 C ATOM 277 C GLY A 19 -13.063 6.502 -4.915 1.00 0.62 C ATOM 278 O GLY A 19 -13.290 6.855 -6.061 1.00 -0.50 O ATOM 0 H GLY A 19 -10.582 6.346 -4.913 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 -12.359 7.150 -2.996 1.00 0.04 H new ATOM 0 HA3 GLY A 19 -12.477 8.431 -4.186 1.00 0.04 H new ATOM 282 N GLY A 20 -13.546 5.342 -4.414 1.00 -0.46 N ATOM 283 CA GLY A 20 -14.323 4.455 -5.279 1.00 0.04 C ATOM 284 C GLY A 20 -14.860 3.253 -4.537 1.00 0.62 C ATOM 285 O GLY A 20 -14.551 3.141 -3.361 1.00 -0.50 O ATOM 0 H GLY A 20 -13.415 5.017 -3.456 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 -15.154 5.011 -5.713 1.00 0.04 H new ATOM 0 HA3 GLY A 20 -13.698 4.119 -6.106 1.00 0.04 H new ATOM 289 N PRO A 21 -15.655 2.347 -5.160 1.00 -0.23 N ATOM 290 CA PRO A 21 -16.156 1.183 -4.439 1.00 0.04 C ATOM 291 C PRO A 21 -15.152 0.053 -4.468 1.00 0.53 C ATOM 292 O PRO A 21 -14.120 0.185 -5.107 1.00 -0.50 O ATOM 293 CB PRO A 21 -17.366 0.847 -5.343 1.00 -0.12 C ATOM 294 CG PRO A 21 -16.843 1.183 -6.760 1.00 -0.12 C ATOM 295 CD PRO A 21 -16.069 2.507 -6.549 1.00 -0.01 C ATOM 0 HA PRO A 21 -16.373 1.343 -3.383 1.00 0.04 H new ATOM 0 HB2 PRO A 21 -17.656 -0.200 -5.257 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 -18.242 1.442 -5.084 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 -16.196 0.396 -7.147 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 -17.659 1.303 -7.472 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 -15.221 2.605 -7.227 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 -16.698 3.385 -6.697 1.00 -0.01 H new ATOM 303 N GLY A 22 -15.444 -1.077 -3.783 1.00 -0.46 N ATOM 304 CA GLY A 22 -14.529 -2.218 -3.815 1.00 0.04 C ATOM 305 C GLY A 22 -13.398 -2.032 -2.825 1.00 0.62 C ATOM 306 O GLY A 22 -13.721 -1.826 -1.663 1.00 -0.50 O ATOM 0 H GLY A 22 -16.283 -1.213 -3.220 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 -15.074 -3.133 -3.583 1.00 0.04 H new ATOM 0 HA3 GLY A 22 -14.123 -2.335 -4.820 1.00 0.04 H new ATOM 310 N PRO A 23 -12.084 -2.098 -3.171 1.00 -0.23 N ATOM 311 CA PRO A 23 -11.619 -2.252 -4.547 1.00 0.04 C ATOM 312 C PRO A 23 -11.850 -3.644 -5.093 1.00 0.53 C ATOM 313 O PRO A 23 -12.404 -4.481 -4.399 1.00 -0.50 O ATOM 314 CB PRO A 23 -10.101 -1.991 -4.351 1.00 -0.12 C ATOM 315 CG PRO A 23 -9.829 -2.489 -2.914 1.00 -0.12 C ATOM 316 CD PRO A 23 -11.069 -1.993 -2.138 1.00 -0.01 C ATOM 0 HA PRO A 23 -12.128 -1.602 -5.258 1.00 0.04 H new ATOM 0 HB2 PRO A 23 -9.503 -2.534 -5.083 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 -9.858 -0.934 -4.462 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 -9.734 -3.574 -2.873 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 -8.906 -2.073 -2.510 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 -11.293 -2.615 -1.272 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 -10.950 -0.972 -1.775 1.00 -0.01 H new ATOM 324 N SER A 24 -11.432 -3.895 -6.355 1.00 -0.46 N ATOM 325 CA SER A 24 -11.690 -5.191 -6.986 1.00 0.04 C ATOM 326 C SER A 24 -10.935 -6.333 -6.340 1.00 0.62 C ATOM 327 O SER A 24 -9.995 -6.105 -5.595 1.00 -0.50 O ATOM 328 CB SER A 24 -11.274 -5.134 -8.480 1.00 0.02 C ATOM 329 OG SER A 24 -9.860 -4.867 -8.532 1.00 -0.55 O ATOM 0 H SER A 24 -10.926 -3.228 -6.938 1.00 -0.46 H new ATOM 0 HA SER A 24 -12.757 -5.380 -6.867 1.00 0.04 H new ATOM 0 HB2 SER A 24 -11.504 -6.077 -8.977 1.00 0.02 H new ATOM 0 HB3 SER A 24 -11.830 -4.355 -9.002 1.00 0.02 H new ATOM 0 HG SER A 24 -9.569 -4.827 -9.467 1.00 -0.55 H new ATOM 335 N GLY A 25 -11.328 -7.596 -6.635 1.00 -0.46 N ATOM 336 CA GLY A 25 -10.586 -8.738 -6.101 1.00 0.04 C ATOM 337 C GLY A 25 -9.128 -8.683 -6.492 1.00 0.62 C ATOM 338 O GLY A 25 -8.290 -9.063 -5.689 1.00 -0.50 O ATOM 0 H GLY A 25 -12.128 -7.834 -7.221 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 -10.672 -8.753 -5.015 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -11.028 -9.664 -6.469 1.00 0.04 H new ATOM 342 N GLN A 26 -8.792 -8.215 -7.718 1.00 -0.46 N ATOM 343 CA GLN A 26 -7.381 -8.109 -8.093 1.00 0.04 C ATOM 344 C GLN A 26 -6.645 -7.344 -7.017 1.00 0.62 C ATOM 345 O GLN A 26 -5.599 -7.789 -6.573 1.00 -0.50 O ATOM 346 CB GLN A 26 -7.182 -7.383 -9.453 1.00 -0.10 C ATOM 347 CG GLN A 26 -5.690 -7.369 -9.889 1.00 -0.10 C ATOM 348 CD GLN A 26 -5.453 -6.555 -11.139 1.00 0.68 C ATOM 349 OE1 GLN A 26 -6.392 -6.032 -11.717 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -4.187 -6.421 -11.582 1.00 -0.87 N ATOM 0 H GLN A 26 -9.457 -7.918 -8.432 1.00 -0.46 H new ATOM 0 HA GLN A 26 -6.989 -9.121 -8.198 1.00 0.04 H new ATOM 0 HB2 GLN A 26 -7.780 -7.877 -10.219 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 -7.547 -6.359 -9.375 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 -5.083 -6.966 -9.078 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 -5.356 -8.393 -10.059 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 -3.421 -6.869 -11.079 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 -3.995 -5.872 -12.420 1.00 -0.87 H new ATOM 359 N CYS A 27 -7.176 -6.186 -6.563 1.00 -0.46 N ATOM 360 CA CYS A 27 -6.504 -5.477 -5.478 1.00 0.04 C ATOM 361 C CYS A 27 -6.385 -6.390 -4.279 1.00 0.62 C ATOM 362 O CYS A 27 -5.310 -6.426 -3.705 1.00 -0.50 O ATOM 363 CB CYS A 27 -7.254 -4.190 -5.055 1.00 -0.10 C ATOM 364 SG CYS A 27 -6.455 -3.429 -3.600 1.00 0.82 S ATOM 0 H CYS A 27 -8.026 -5.748 -6.917 1.00 -0.46 H new ATOM 0 HA CYS A 27 -5.521 -5.183 -5.845 1.00 0.04 H new ATOM 0 HB2 CYS A 27 -7.266 -3.481 -5.883 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 -8.292 -4.427 -4.824 1.00 -0.10 H new ATOM 369 N CYS A 28 -7.444 -7.127 -3.868 1.00 -0.46 N ATOM 370 CA CYS A 28 -7.297 -8.012 -2.711 1.00 0.04 C ATOM 371 C CYS A 28 -6.146 -8.973 -2.921 1.00 0.62 C ATOM 372 O CYS A 28 -5.373 -9.161 -1.994 1.00 -0.50 O ATOM 373 CB CYS A 28 -8.572 -8.817 -2.349 1.00 -0.10 C ATOM 374 SG CYS A 28 -8.186 -9.820 -0.869 1.00 0.82 S ATOM 0 H CYS A 28 -8.366 -7.123 -4.304 1.00 -0.46 H new ATOM 0 HA CYS A 28 -7.101 -7.347 -1.870 1.00 0.04 H new ATOM 0 HB2 CYS A 28 -9.406 -8.145 -2.150 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 -8.870 -9.457 -3.179 1.00 -0.10 H new ATOM 379 N ASP A 29 -5.999 -9.586 -4.115 1.00 -0.46 N ATOM 380 CA ASP A 29 -4.821 -10.424 -4.344 1.00 0.04 C ATOM 381 C ASP A 29 -3.590 -9.556 -4.154 1.00 0.62 C ATOM 382 O ASP A 29 -2.650 -9.945 -3.479 1.00 -0.50 O ATOM 383 CB ASP A 29 -4.863 -11.085 -5.747 1.00 -0.40 C ATOM 384 CG ASP A 29 -3.802 -12.147 -5.846 1.00 0.71 C ATOM 385 OD1 ASP A 29 -4.064 -13.287 -5.373 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -2.699 -11.857 -6.379 1.00 -0.72 O ATOM 0 H ASP A 29 -6.651 -9.518 -4.896 1.00 -0.46 H new ATOM 0 HA ASP A 29 -4.797 -11.247 -3.630 1.00 0.04 H new ATOM 0 HB2 ASP A 29 -5.846 -11.523 -5.923 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 -4.708 -10.331 -6.518 1.00 -0.40 H new ATOM 391 N GLY A 30 -3.606 -8.332 -4.724 1.00 -0.46 N ATOM 392 CA GLY A 30 -2.533 -7.380 -4.458 1.00 0.04 C ATOM 393 C GLY A 30 -2.283 -7.183 -2.981 1.00 0.62 C ATOM 394 O GLY A 30 -1.133 -7.077 -2.593 1.00 -0.50 O ATOM 0 H GLY A 30 -4.335 -7.996 -5.354 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 -1.617 -7.729 -4.934 1.00 0.04 H new ATOM 0 HA3 GLY A 30 -2.783 -6.421 -4.911 1.00 0.04 H new ATOM 398 N VAL A 31 -3.328 -7.112 -2.128 1.00 -0.46 N ATOM 399 CA VAL A 31 -3.096 -6.842 -0.709 1.00 0.04 C ATOM 400 C VAL A 31 -2.263 -7.955 -0.109 1.00 0.62 C ATOM 401 O VAL A 31 -1.200 -7.682 0.429 1.00 -0.50 O ATOM 402 CB VAL A 31 -4.399 -6.668 0.129 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -4.037 -6.443 1.624 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -5.281 -5.486 -0.358 1.00 -0.09 C ATOM 0 H VAL A 31 -4.305 -7.234 -2.393 1.00 -0.46 H new ATOM 0 HA VAL A 31 -2.571 -5.888 -0.666 1.00 0.04 H new ATOM 0 HB VAL A 31 -4.976 -7.584 0.002 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 -4.951 -6.322 2.205 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 -3.481 -7.303 1.997 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 -3.425 -5.546 1.719 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 -6.173 -5.417 0.265 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 -4.716 -4.557 -0.287 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 -5.574 -5.654 -1.394 1.00 -0.09 H new ATOM 414 N LYS A 32 -2.728 -9.225 -0.183 1.00 -0.46 N ATOM 415 CA LYS A 32 -1.947 -10.313 0.410 1.00 0.04 C ATOM 416 C LYS A 32 -0.564 -10.344 -0.201 1.00 0.62 C ATOM 417 O LYS A 32 0.396 -10.596 0.512 1.00 -0.50 O ATOM 418 CB LYS A 32 -2.682 -11.689 0.410 1.00 -0.10 C ATOM 419 CG LYS A 32 -2.961 -12.318 -0.987 1.00 -0.16 C ATOM 420 CD LYS A 32 -1.776 -13.149 -1.557 1.00 -0.18 C ATOM 421 CE LYS A 32 -1.978 -13.518 -3.055 1.00 -0.04 C ATOM 422 NZ LYS A 32 -3.191 -14.326 -3.320 1.00 -0.14 N ATOM 0 H LYS A 32 -3.602 -9.505 -0.629 1.00 -0.46 H new ATOM 0 HA LYS A 32 -1.829 -10.103 1.473 1.00 0.04 H new ATOM 0 HB2 LYS A 32 -2.089 -12.395 0.991 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 -3.633 -11.570 0.928 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 -3.840 -12.959 -0.916 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 -3.204 -11.521 -1.690 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 -0.852 -12.582 -1.447 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 -1.662 -14.062 -0.973 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 -2.031 -12.600 -3.640 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 -1.104 -14.069 -3.404 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 -3.574 -14.081 -4.256 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 -2.946 -15.337 -3.300 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 -3.906 -14.128 -2.591 1.00 -0.14 H new ATOM 436 N ASN A 33 -0.427 -10.067 -1.517 1.00 -0.46 N ATOM 437 CA ASN A 33 0.913 -9.995 -2.098 1.00 0.04 C ATOM 438 C ASN A 33 1.705 -8.871 -1.459 1.00 0.62 C ATOM 439 O ASN A 33 2.832 -9.123 -1.068 1.00 -0.50 O ATOM 440 CB ASN A 33 0.856 -9.795 -3.632 1.00 -0.09 C ATOM 441 CG ASN A 33 0.265 -10.982 -4.351 1.00 0.68 C ATOM 442 OD1 ASN A 33 0.504 -12.105 -3.938 1.00 -0.47 O ATOM 443 ND2 ASN A 33 -0.503 -10.780 -5.440 1.00 -0.87 N ATOM 0 H ASN A 33 -1.197 -9.898 -2.165 1.00 -0.46 H new ATOM 0 HA ASN A 33 1.411 -10.944 -1.899 1.00 0.04 H new ATOM 0 HB2 ASN A 33 0.265 -8.907 -3.857 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 1.862 -9.611 -4.008 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 -0.900 -11.576 -5.939 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 -0.688 -9.831 -5.765 1.00 -0.87 H new ATOM 450 N LEU A 34 1.179 -7.632 -1.318 1.00 -0.46 N ATOM 451 CA LEU A 34 1.957 -6.581 -0.656 1.00 0.04 C ATOM 452 C LEU A 34 2.397 -7.089 0.700 1.00 0.62 C ATOM 453 O LEU A 34 3.582 -7.055 0.986 1.00 -0.50 O ATOM 454 CB LEU A 34 1.212 -5.224 -0.457 1.00 -0.06 C ATOM 455 CG LEU A 34 1.444 -4.203 -1.610 1.00 -0.01 C ATOM 456 CD1 LEU A 34 0.802 -4.659 -2.947 1.00 -0.11 C ATOM 457 CD2 LEU A 34 0.899 -2.805 -1.210 1.00 -0.11 C ATOM 0 H LEU A 34 0.254 -7.350 -1.643 1.00 -0.46 H new ATOM 0 HA LEU A 34 2.793 -6.367 -1.322 1.00 0.04 H new ATOM 0 HB2 LEU A 34 0.143 -5.417 -0.365 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 1.537 -4.777 0.482 1.00 -0.06 H new ATOM 0 HG LEU A 34 2.521 -4.145 -1.771 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 0.994 -3.911 -3.716 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 1.234 -5.612 -3.252 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 -0.274 -4.775 -2.813 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 1.068 -2.102 -2.025 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 -0.170 -2.875 -1.007 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 1.416 -2.455 -0.316 1.00 -0.11 H new ATOM 469 N HIS A 35 1.466 -7.572 1.551 1.00 -0.46 N ATOM 470 CA HIS A 35 1.889 -8.132 2.837 1.00 0.04 C ATOM 471 C HIS A 35 3.014 -9.128 2.633 1.00 0.62 C ATOM 472 O HIS A 35 3.998 -9.062 3.351 1.00 -0.50 O ATOM 473 CB HIS A 35 0.705 -8.810 3.579 1.00 -0.10 C ATOM 474 CG HIS A 35 1.185 -9.722 4.681 1.00 0.06 C ATOM 475 ND1 HIS A 35 1.610 -10.939 4.505 1.00 -0.06 N ATOM 476 CD2 HIS A 35 1.266 -9.481 5.993 1.00 -0.04 C ATOM 477 CE1 HIS A 35 1.964 -11.495 5.625 1.00 0.11 C ATOM 478 NE2 HIS A 35 1.739 -10.575 6.516 1.00 -0.06 N ATOM 0 H HIS A 35 0.461 -7.584 1.376 1.00 -0.46 H new ATOM 0 HA HIS A 35 2.247 -7.309 3.456 1.00 0.04 H new ATOM 0 HB2 HIS A 35 0.052 -8.044 3.999 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 0.109 -9.382 2.867 1.00 -0.10 H new ATOM 0 HD2 HIS A 35 0.996 -8.572 6.510 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 2.354 -12.490 5.780 1.00 0.11 H new ATOM 0 HE2 HIS A 35 1.914 -10.697 7.513 1.00 -0.06 H new ATOM 487 N ASN A 36 2.884 -10.068 1.671 1.00 -0.46 N ATOM 488 CA ASN A 36 3.930 -11.077 1.480 1.00 0.04 C ATOM 489 C ASN A 36 5.239 -10.477 1.006 1.00 0.62 C ATOM 490 O ASN A 36 6.283 -10.938 1.438 1.00 -0.50 O ATOM 491 CB ASN A 36 3.489 -12.140 0.439 1.00 -0.09 C ATOM 492 CG ASN A 36 4.509 -13.247 0.331 1.00 0.68 C ATOM 493 OD1 ASN A 36 5.243 -13.291 -0.643 1.00 -0.47 O ATOM 494 ND2 ASN A 36 4.589 -14.159 1.321 1.00 -0.87 N ATOM 0 H ASN A 36 2.089 -10.144 1.037 1.00 -0.46 H new ATOM 0 HA ASN A 36 4.084 -11.534 2.457 1.00 0.04 H new ATOM 0 HB2 ASN A 36 2.524 -12.557 0.726 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 3.355 -11.668 -0.534 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 5.276 -14.911 1.268 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 3.962 -14.097 2.123 1.00 -0.87 H new ATOM 501 N GLN A 37 5.212 -9.466 0.112 1.00 -0.46 N ATOM 502 CA GLN A 37 6.459 -8.870 -0.369 1.00 0.04 C ATOM 503 C GLN A 37 7.064 -8.009 0.720 1.00 0.62 C ATOM 504 O GLN A 37 8.249 -8.130 0.983 1.00 -0.50 O ATOM 505 CB GLN A 37 6.235 -8.024 -1.656 1.00 -0.10 C ATOM 506 CG GLN A 37 5.785 -8.895 -2.863 1.00 -0.10 C ATOM 507 CD GLN A 37 5.693 -8.085 -4.135 1.00 0.68 C ATOM 508 OE1 GLN A 37 6.475 -8.300 -5.047 1.00 -0.47 O ATOM 509 NE2 GLN A 37 4.742 -7.138 -4.246 1.00 -0.87 N ATOM 0 H GLN A 37 4.361 -9.060 -0.278 1.00 -0.46 H new ATOM 0 HA GLN A 37 7.144 -9.679 -0.623 1.00 0.04 H new ATOM 0 HB2 GLN A 37 5.481 -7.261 -1.460 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 7.158 -7.503 -1.911 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 6.491 -9.714 -3.004 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 4.815 -9.343 -2.646 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 4.096 -6.971 -3.474 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 4.667 -6.588 -5.102 1.00 -0.87 H new ATOM 518 N ALA A 38 6.274 -7.128 1.372 1.00 -0.46 N ATOM 519 CA ALA A 38 6.828 -6.250 2.405 1.00 0.04 C ATOM 520 C ALA A 38 7.204 -7.017 3.656 1.00 0.62 C ATOM 521 O ALA A 38 6.518 -6.876 4.655 1.00 -0.50 O ATOM 522 CB ALA A 38 5.830 -5.109 2.737 1.00 -0.10 C ATOM 0 H ALA A 38 5.275 -7.013 1.201 1.00 -0.46 H new ATOM 0 HA ALA A 38 7.744 -5.811 2.009 1.00 0.04 H new ATOM 0 HB1 ALA A 38 6.256 -4.465 3.506 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 5.636 -4.522 1.839 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.895 -5.537 3.099 1.00 -0.10 H new ATOM 528 N ARG A 39 8.295 -7.820 3.625 1.00 -0.46 N ATOM 529 CA ARG A 39 8.732 -8.566 4.810 1.00 0.04 C ATOM 530 C ARG A 39 10.213 -8.384 5.093 1.00 0.62 C ATOM 531 O ARG A 39 10.539 -8.069 6.228 1.00 -0.50 O ATOM 532 CB ARG A 39 8.384 -10.070 4.644 1.00 -0.08 C ATOM 533 CG ARG A 39 6.860 -10.345 4.464 1.00 -0.10 C ATOM 534 CD ARG A 39 5.961 -10.028 5.697 1.00 -0.23 C ATOM 535 NE ARG A 39 6.282 -10.823 6.887 1.00 -0.32 N ATOM 536 CZ ARG A 39 5.717 -10.640 8.062 1.00 0.76 C ATOM 537 NH1 ARG A 39 4.790 -9.738 8.276 1.00 -0.62 N ATOM 538 NH2 ARG A 39 6.090 -11.391 9.069 1.00 -0.62 N ATOM 0 H ARG A 39 8.876 -7.961 2.799 1.00 -0.46 H new ATOM 0 HA ARG A 39 8.197 -8.164 5.670 1.00 0.04 H new ATOM 0 HB2 ARG A 39 8.920 -10.465 3.781 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 8.742 -10.615 5.517 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 6.502 -9.759 3.618 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 6.728 -11.395 4.203 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 6.057 -8.970 5.942 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 4.919 -10.199 5.428 1.00 -0.23 H new ATOM 0 HE ARG A 39 6.983 -11.559 6.799 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 4.476 -9.139 7.513 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 4.383 -9.636 9.206 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 6.807 -12.104 8.935 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 5.663 -11.263 9.986 1.00 -0.62 H new ATOM 552 N SER A 40 11.160 -8.557 4.141 1.00 -0.46 N ATOM 553 CA SER A 40 12.560 -8.293 4.484 1.00 0.04 C ATOM 554 C SER A 40 12.727 -6.831 4.843 1.00 0.62 C ATOM 555 O SER A 40 11.845 -6.036 4.555 1.00 -0.50 O ATOM 556 CB SER A 40 13.560 -8.684 3.363 1.00 0.02 C ATOM 557 OG SER A 40 14.923 -8.525 3.798 1.00 -0.55 O ATOM 0 H SER A 40 10.987 -8.861 3.183 1.00 -0.46 H new ATOM 0 HA SER A 40 12.799 -8.926 5.338 1.00 0.04 H new ATOM 0 HB2 SER A 40 13.389 -9.719 3.066 1.00 0.02 H new ATOM 0 HB3 SER A 40 13.383 -8.066 2.483 1.00 0.02 H new ATOM 0 HG SER A 40 15.530 -8.780 3.072 1.00 -0.55 H new ATOM 563 N GLN A 41 13.839 -6.433 5.495 1.00 -0.46 N ATOM 564 CA GLN A 41 13.999 -5.032 5.882 1.00 0.04 C ATOM 565 C GLN A 41 14.112 -4.200 4.624 1.00 0.62 C ATOM 566 O GLN A 41 13.433 -3.190 4.514 1.00 -0.50 O ATOM 567 CB GLN A 41 15.229 -4.804 6.805 1.00 -0.10 C ATOM 568 CG GLN A 41 15.032 -5.423 8.220 1.00 -0.10 C ATOM 569 CD GLN A 41 14.966 -6.930 8.263 1.00 0.68 C ATOM 570 OE1 GLN A 41 15.319 -7.585 7.296 1.00 -0.47 O ATOM 571 NE2 GLN A 41 14.518 -7.523 9.387 1.00 -0.87 N ATOM 0 H GLN A 41 14.612 -7.046 5.754 1.00 -0.46 H new ATOM 0 HA GLN A 41 13.127 -4.731 6.462 1.00 0.04 H new ATOM 0 HB2 GLN A 41 16.114 -5.240 6.341 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 15.414 -3.734 6.902 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 15.851 -5.094 8.859 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 14.113 -5.023 8.648 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 14.228 -6.955 10.183 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 14.469 -8.540 9.442 1.00 -0.87 H new ATOM 580 N SER A 42 14.957 -4.621 3.655 1.00 -0.46 N ATOM 581 CA SER A 42 15.031 -3.899 2.384 1.00 0.04 C ATOM 582 C SER A 42 13.643 -3.678 1.826 1.00 0.62 C ATOM 583 O SER A 42 13.330 -2.575 1.407 1.00 -0.50 O ATOM 584 CB SER A 42 15.852 -4.679 1.324 1.00 0.02 C ATOM 585 OG SER A 42 15.827 -4.002 0.055 1.00 -0.55 O ATOM 0 H SER A 42 15.574 -5.430 3.732 1.00 -0.46 H new ATOM 0 HA SER A 42 15.522 -2.948 2.590 1.00 0.04 H new ATOM 0 HB2 SER A 42 16.882 -4.786 1.663 1.00 0.02 H new ATOM 0 HB3 SER A 42 15.447 -5.685 1.212 1.00 0.02 H new ATOM 0 HG SER A 42 16.352 -4.511 -0.598 1.00 -0.55 H new ATOM 591 N ASP A 43 12.793 -4.729 1.829 1.00 -0.46 N ATOM 592 CA ASP A 43 11.468 -4.601 1.230 1.00 0.04 C ATOM 593 C ASP A 43 10.699 -3.470 1.877 1.00 0.62 C ATOM 594 O ASP A 43 10.130 -2.650 1.174 1.00 -0.50 O ATOM 595 CB ASP A 43 10.641 -5.910 1.361 1.00 -0.40 C ATOM 596 CG ASP A 43 11.381 -7.151 0.942 1.00 0.71 C ATOM 597 OD1 ASP A 43 12.318 -7.045 0.108 1.00 -0.72 O ATOM 598 OD2 ASP A 43 11.042 -8.245 1.472 1.00 -0.72 O ATOM 0 H ASP A 43 13.001 -5.644 2.229 1.00 -0.46 H new ATOM 0 HA ASP A 43 11.620 -4.391 0.171 1.00 0.04 H new ATOM 0 HB2 ASP A 43 10.322 -6.023 2.397 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 9.738 -5.818 0.758 1.00 -0.40 H new ATOM 603 N ARG A 44 10.672 -3.402 3.229 1.00 -0.46 N ATOM 604 CA ARG A 44 9.963 -2.300 3.881 1.00 0.04 C ATOM 605 C ARG A 44 10.532 -0.984 3.393 1.00 0.62 C ATOM 606 O ARG A 44 9.763 -0.068 3.138 1.00 -0.50 O ATOM 607 CB ARG A 44 10.013 -2.354 5.441 1.00 -0.08 C ATOM 608 CG ARG A 44 8.808 -3.114 6.070 1.00 -0.10 C ATOM 609 CD ARG A 44 8.748 -4.623 5.717 1.00 -0.23 C ATOM 610 NE ARG A 44 9.811 -5.350 6.414 1.00 -0.32 N ATOM 611 CZ ARG A 44 9.754 -5.735 7.673 1.00 0.76 C ATOM 612 NH1 ARG A 44 8.740 -5.482 8.463 1.00 -0.62 N ATOM 613 NH2 ARG A 44 10.762 -6.410 8.171 1.00 -0.62 N ATOM 0 H ARG A 44 11.116 -4.071 3.858 1.00 -0.46 H new ATOM 0 HA ARG A 44 8.912 -2.396 3.609 1.00 0.04 H new ATOM 0 HB2 ARG A 44 10.940 -2.836 5.751 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 10.036 -1.337 5.832 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 8.853 -3.008 7.154 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 7.883 -2.639 5.742 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 7.776 -5.030 5.996 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 8.853 -4.756 4.640 1.00 -0.23 H new ATOM 0 HE ARG A 44 10.655 -5.574 5.888 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 7.937 -4.960 8.111 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 8.753 -5.807 9.430 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 11.569 -6.627 7.586 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 10.739 -6.718 9.143 1.00 -0.62 H new ATOM 627 N GLN A 45 11.870 -0.855 3.248 1.00 -0.46 N ATOM 628 CA GLN A 45 12.412 0.419 2.780 1.00 0.04 C ATOM 629 C GLN A 45 11.898 0.680 1.380 1.00 0.62 C ATOM 630 O GLN A 45 11.365 1.747 1.118 1.00 -0.50 O ATOM 631 CB GLN A 45 13.966 0.513 2.768 1.00 -0.10 C ATOM 632 CG GLN A 45 14.652 0.002 4.069 1.00 -0.10 C ATOM 633 CD GLN A 45 13.838 0.252 5.315 1.00 0.68 C ATOM 634 OE1 GLN A 45 13.640 1.404 5.665 1.00 -0.47 O ATOM 635 NE2 GLN A 45 13.350 -0.795 6.012 1.00 -0.87 N ATOM 0 H GLN A 45 12.557 -1.584 3.440 1.00 -0.46 H new ATOM 0 HA GLN A 45 12.075 1.167 3.497 1.00 0.04 H new ATOM 0 HB2 GLN A 45 14.346 -0.060 1.922 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 14.254 1.551 2.604 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 14.840 -1.068 3.976 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 15.622 0.488 4.174 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 13.532 -1.747 5.695 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 12.799 -0.634 6.855 1.00 -0.87 H new ATOM 644 N SER A 46 12.059 -0.290 0.454 1.00 -0.46 N ATOM 645 CA SER A 46 11.637 -0.066 -0.926 1.00 0.04 C ATOM 646 C SER A 46 10.168 0.285 -0.994 1.00 0.62 C ATOM 647 O SER A 46 9.823 1.272 -1.624 1.00 -0.50 O ATOM 648 CB SER A 46 11.916 -1.321 -1.794 1.00 0.02 C ATOM 649 OG SER A 46 13.300 -1.699 -1.719 1.00 -0.55 O ATOM 0 H SER A 46 12.467 -1.207 0.638 1.00 -0.46 H new ATOM 0 HA SER A 46 12.214 0.772 -1.317 1.00 0.04 H new ATOM 0 HB2 SER A 46 11.290 -2.148 -1.457 1.00 0.02 H new ATOM 0 HB3 SER A 46 11.646 -1.119 -2.830 1.00 0.02 H new ATOM 0 HG SER A 46 13.492 -2.063 -0.829 1.00 -0.55 H new ATOM 655 N ALA A 47 9.281 -0.505 -0.350 1.00 -0.46 N ATOM 656 CA ALA A 47 7.852 -0.196 -0.396 1.00 0.04 C ATOM 657 C ALA A 47 7.605 1.195 0.149 1.00 0.62 C ATOM 658 O ALA A 47 6.928 1.982 -0.496 1.00 -0.50 O ATOM 659 CB ALA A 47 7.029 -1.237 0.409 1.00 -0.10 C ATOM 0 H ALA A 47 9.527 -1.335 0.190 1.00 -0.46 H new ATOM 0 HA ALA A 47 7.528 -0.238 -1.436 1.00 0.04 H new ATOM 0 HB1 ALA A 47 5.970 -0.982 0.357 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 7.185 -2.229 -0.014 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 7.353 -1.231 1.450 1.00 -0.10 H new ATOM 665 N CYS A 48 8.158 1.526 1.338 1.00 -0.46 N ATOM 666 CA CYS A 48 7.966 2.870 1.884 1.00 0.04 C ATOM 667 C CYS A 48 8.387 3.927 0.884 1.00 0.62 C ATOM 668 O CYS A 48 7.635 4.863 0.663 1.00 -0.50 O ATOM 669 CB CYS A 48 8.768 3.059 3.201 1.00 -0.10 C ATOM 670 SG CYS A 48 8.861 4.827 3.632 1.00 0.82 S ATOM 0 H CYS A 48 8.720 0.899 1.914 1.00 -0.46 H new ATOM 0 HA CYS A 48 6.903 2.984 2.097 1.00 0.04 H new ATOM 0 HB2 CYS A 48 8.290 2.505 4.009 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 9.773 2.652 3.085 1.00 -0.10 H new ATOM 675 N ASN A 49 9.588 3.827 0.276 1.00 -0.46 N ATOM 676 CA ASN A 49 9.979 4.848 -0.699 1.00 0.04 C ATOM 677 C ASN A 49 9.013 4.838 -1.866 1.00 0.62 C ATOM 678 O ASN A 49 8.589 5.897 -2.302 1.00 -0.50 O ATOM 679 CB ASN A 49 11.433 4.657 -1.203 1.00 -0.09 C ATOM 680 CG ASN A 49 12.402 4.903 -0.071 1.00 0.68 C ATOM 681 OD1 ASN A 49 12.629 6.054 0.264 1.00 -0.47 O ATOM 682 ND2 ASN A 49 12.990 3.865 0.556 1.00 -0.87 N ATOM 0 H ASN A 49 10.270 3.085 0.436 1.00 -0.46 H new ATOM 0 HA ASN A 49 9.940 5.815 -0.197 1.00 0.04 H new ATOM 0 HB2 ASN A 49 11.563 3.647 -1.593 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 11.636 5.344 -2.024 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 13.638 4.035 1.325 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 12.787 2.910 0.261 1.00 -0.87 H new ATOM 689 N CYS A 50 8.645 3.641 -2.377 1.00 -0.46 N ATOM 690 CA CYS A 50 7.690 3.567 -3.487 1.00 0.04 C ATOM 691 C CYS A 50 6.477 4.408 -3.149 1.00 0.62 C ATOM 692 O CYS A 50 6.037 5.208 -3.960 1.00 -0.50 O ATOM 693 CB CYS A 50 7.242 2.099 -3.766 1.00 -0.10 C ATOM 694 SG CYS A 50 6.882 1.783 -5.523 1.00 0.82 S ATOM 0 H CYS A 50 8.988 2.740 -2.044 1.00 -0.46 H new ATOM 0 HA CYS A 50 8.180 3.943 -4.385 1.00 0.04 H new ATOM 0 HB2 CYS A 50 8.025 1.417 -3.433 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 6.354 1.878 -3.174 1.00 -0.10 H new ATOM 699 N LEU A 51 5.942 4.230 -1.922 1.00 -0.46 N ATOM 700 CA LEU A 51 4.792 5.024 -1.489 1.00 0.04 C ATOM 701 C LEU A 51 5.136 6.496 -1.456 1.00 0.62 C ATOM 702 O LEU A 51 4.422 7.288 -2.053 1.00 -0.50 O ATOM 703 CB LEU A 51 4.298 4.489 -0.114 1.00 -0.06 C ATOM 704 CG LEU A 51 3.160 5.285 0.590 1.00 -0.01 C ATOM 705 CD1 LEU A 51 3.618 6.664 1.138 1.00 -0.11 C ATOM 706 CD2 LEU A 51 1.921 5.471 -0.316 1.00 -0.11 C ATOM 0 H LEU A 51 6.284 3.558 -1.235 1.00 -0.46 H new ATOM 0 HA LEU A 51 3.976 4.922 -2.204 1.00 0.04 H new ATOM 0 HB2 LEU A 51 3.957 3.463 -0.253 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 5.153 4.452 0.561 1.00 -0.06 H new ATOM 0 HG LEU A 51 2.881 4.666 1.443 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 2.775 7.164 1.615 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 4.415 6.519 1.868 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 3.986 7.278 0.316 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.157 6.032 0.223 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 2.206 6.017 -1.215 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 1.525 4.495 -0.595 1.00 -0.11 H new ATOM 718 N LYS A 52 6.229 6.895 -0.766 1.00 -0.46 N ATOM 719 CA LYS A 52 6.556 8.323 -0.684 1.00 0.04 C ATOM 720 C LYS A 52 6.766 8.917 -2.064 1.00 0.62 C ATOM 721 O LYS A 52 6.638 10.124 -2.201 1.00 -0.50 O ATOM 722 CB LYS A 52 7.799 8.609 0.207 1.00 -0.10 C ATOM 723 CG LYS A 52 7.655 8.176 1.701 1.00 -0.16 C ATOM 724 CD LYS A 52 7.096 9.259 2.676 1.00 -0.18 C ATOM 725 CE LYS A 52 5.651 9.741 2.369 1.00 -0.04 C ATOM 726 NZ LYS A 52 5.027 10.409 3.537 1.00 -0.14 N ATOM 0 H LYS A 52 6.872 6.271 -0.278 1.00 -0.46 H new ATOM 0 HA LYS A 52 5.698 8.801 -0.212 1.00 0.04 H new ATOM 0 HB2 LYS A 52 8.660 8.097 -0.222 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 8.013 9.677 0.173 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 7.002 7.304 1.745 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 8.633 7.860 2.063 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 7.121 8.860 3.690 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 7.762 10.122 2.656 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 5.671 10.431 1.525 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 5.041 8.889 2.070 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 4.350 11.126 3.206 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 4.529 9.703 4.115 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 5.764 10.867 4.110 1.00 -0.14 H new ATOM 740 N GLY A 53 7.080 8.111 -3.104 1.00 -0.46 N ATOM 741 CA GLY A 53 7.091 8.639 -4.468 1.00 0.04 C ATOM 742 C GLY A 53 5.706 8.696 -5.079 1.00 0.62 C ATOM 743 O GLY A 53 5.359 9.710 -5.665 1.00 -0.50 O ATOM 0 H GLY A 53 7.321 7.123 -3.021 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 7.524 9.639 -4.463 1.00 0.04 H new ATOM 0 HA3 GLY A 53 7.734 8.016 -5.090 1.00 0.04 H new ATOM 747 N ILE A 54 4.907 7.607 -4.990 1.00 -0.46 N ATOM 748 CA ILE A 54 3.681 7.512 -5.793 1.00 0.04 C ATOM 749 C ILE A 54 2.516 8.281 -5.197 1.00 0.62 C ATOM 750 O ILE A 54 2.132 9.305 -5.742 1.00 -0.50 O ATOM 751 CB ILE A 54 3.304 6.020 -6.072 1.00 -0.01 C ATOM 752 CG1 ILE A 54 4.416 5.312 -6.909 1.00 -0.05 C ATOM 753 CG2 ILE A 54 1.915 5.909 -6.769 1.00 -0.09 C ATOM 754 CD1 ILE A 54 4.333 3.761 -6.853 1.00 -0.09 C ATOM 0 H ILE A 54 5.088 6.806 -4.385 1.00 -0.46 H new ATOM 0 HA ILE A 54 3.899 7.992 -6.747 1.00 0.04 H new ATOM 0 HB ILE A 54 3.230 5.508 -5.112 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 4.341 5.636 -7.947 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 5.393 5.630 -6.545 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 1.681 4.860 -6.950 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 1.150 6.346 -6.127 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 1.941 6.444 -7.719 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 5.134 3.332 -7.455 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 4.437 3.428 -5.820 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 3.370 3.434 -7.244 1.00 -0.09 H new ATOM 766 N ALA A 55 1.897 7.802 -4.095 1.00 -0.46 N ATOM 767 CA ALA A 55 0.627 8.391 -3.664 1.00 0.04 C ATOM 768 C ALA A 55 0.850 9.778 -3.120 1.00 0.62 C ATOM 769 O ALA A 55 0.084 10.672 -3.438 1.00 -0.50 O ATOM 770 CB ALA A 55 -0.069 7.546 -2.573 1.00 -0.10 C ATOM 0 H ALA A 55 2.245 7.040 -3.513 1.00 -0.46 H new ATOM 0 HA ALA A 55 -0.016 8.423 -4.544 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -1.006 8.023 -2.286 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -0.274 6.548 -2.961 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 0.581 7.470 -1.702 1.00 -0.10 H new ATOM 776 N ARG A 56 1.909 9.979 -2.307 1.00 -0.46 N ATOM 777 CA ARG A 56 2.229 11.336 -1.861 1.00 0.04 C ATOM 778 C ARG A 56 2.260 12.231 -3.081 1.00 0.62 C ATOM 779 O ARG A 56 1.685 13.308 -3.048 1.00 -0.50 O ATOM 780 CB ARG A 56 3.574 11.321 -1.081 1.00 -0.08 C ATOM 781 CG ARG A 56 4.084 12.714 -0.605 1.00 -0.10 C ATOM 782 CD ARG A 56 4.895 13.497 -1.680 1.00 -0.23 C ATOM 783 NE ARG A 56 6.103 12.775 -2.099 1.00 -0.32 N ATOM 784 CZ ARG A 56 6.856 13.125 -3.119 1.00 0.76 C ATOM 785 NH1 ARG A 56 6.630 14.195 -3.840 1.00 -0.62 N ATOM 786 NH2 ARG A 56 7.884 12.374 -3.431 1.00 -0.62 N ATOM 0 H ARG A 56 2.530 9.247 -1.962 1.00 -0.46 H new ATOM 0 HA ARG A 56 1.477 11.725 -1.174 1.00 0.04 H new ATOM 0 HB2 ARG A 56 3.462 10.676 -0.209 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 4.338 10.870 -1.715 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 3.229 13.317 -0.300 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 4.709 12.578 0.278 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 4.262 13.678 -2.549 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 5.176 14.472 -1.282 1.00 -0.23 H new ATOM 0 HE ARG A 56 6.375 11.950 -1.565 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 5.839 14.801 -3.620 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 7.245 14.422 -4.622 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 8.087 11.536 -2.886 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 8.481 12.628 -4.218 1.00 -0.62 H new ATOM 800 N GLY A 57 2.913 11.791 -4.182 1.00 -0.46 N ATOM 801 CA GLY A 57 2.874 12.577 -5.414 1.00 0.04 C ATOM 802 C GLY A 57 1.446 12.835 -5.845 1.00 0.62 C ATOM 803 O GLY A 57 1.107 13.973 -6.131 1.00 -0.50 O ATOM 0 H GLY A 57 3.452 10.927 -4.234 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 3.389 13.525 -5.261 1.00 0.04 H new ATOM 0 HA3 GLY A 57 3.407 12.048 -6.204 1.00 0.04 H new ATOM 807 N ILE A 58 0.585 11.791 -5.891 1.00 -0.46 N ATOM 808 CA ILE A 58 -0.827 12.006 -6.226 1.00 0.04 C ATOM 809 C ILE A 58 -1.481 12.569 -4.979 1.00 0.62 C ATOM 810 O ILE A 58 -2.199 11.858 -4.296 1.00 -0.50 O ATOM 811 CB ILE A 58 -1.540 10.708 -6.726 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -0.769 10.057 -7.917 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -3.016 11.018 -7.124 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -1.359 8.690 -8.360 1.00 -0.09 C ATOM 0 H ILE A 58 0.841 10.821 -5.705 1.00 -0.46 H new ATOM 0 HA ILE A 58 -0.913 12.699 -7.063 1.00 0.04 H new ATOM 0 HB ILE A 58 -1.544 9.989 -5.906 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -0.781 10.741 -8.765 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 0.274 9.919 -7.633 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -3.499 10.104 -7.470 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -3.552 11.407 -6.258 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -3.029 11.760 -7.922 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -0.775 8.294 -9.191 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -1.322 7.990 -7.525 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -2.394 8.825 -8.675 1.00 -0.09 H new ATOM 826 N HIS A 59 -1.247 13.856 -4.636 1.00 -0.46 N ATOM 827 CA HIS A 59 -1.808 14.387 -3.391 1.00 0.04 C ATOM 828 C HIS A 59 -3.320 14.273 -3.347 1.00 0.62 C ATOM 829 O HIS A 59 -3.854 13.973 -2.291 1.00 -0.50 O ATOM 830 CB HIS A 59 -1.420 15.877 -3.192 1.00 -0.10 C ATOM 831 CG HIS A 59 -1.945 16.474 -1.908 1.00 0.06 C ATOM 832 ND1 HIS A 59 -2.186 17.740 -1.729 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -2.250 15.868 -0.754 1.00 -0.04 C ATOM 834 CE1 HIS A 59 -2.635 17.985 -0.533 1.00 0.11 C ATOM 835 NE2 HIS A 59 -2.662 16.816 0.037 1.00 -0.06 N ATOM 0 H HIS A 59 -0.696 14.517 -5.184 1.00 -0.46 H new ATOM 0 HA HIS A 59 -1.386 13.782 -2.588 1.00 0.04 H new ATOM 0 HB2 HIS A 59 -0.334 15.966 -3.206 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 -1.798 16.457 -4.034 1.00 -0.10 H new ATOM 0 HD2 HIS A 59 -2.171 14.815 -0.527 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 -2.919 18.938 -0.111 1.00 0.11 H new ATOM 0 HE2 HIS A 59 -2.971 16.660 0.996 1.00 -0.06 H new ATOM 844 N ASN A 60 -4.037 14.520 -4.468 1.00 -0.46 N ATOM 845 CA ASN A 60 -5.503 14.434 -4.445 1.00 0.04 C ATOM 846 C ASN A 60 -5.914 12.996 -4.198 1.00 0.62 C ATOM 847 O ASN A 60 -6.236 12.301 -5.149 1.00 -0.50 O ATOM 848 CB ASN A 60 -6.099 14.988 -5.770 1.00 -0.09 C ATOM 849 CG ASN A 60 -7.610 14.992 -5.736 1.00 0.68 C ATOM 850 OD1 ASN A 60 -8.197 16.043 -5.535 1.00 -0.47 O ATOM 851 ND2 ASN A 60 -8.279 13.837 -5.923 1.00 -0.87 N ATOM 0 H ASN A 60 -3.634 14.772 -5.370 1.00 -0.46 H new ATOM 0 HA ASN A 60 -5.898 15.047 -3.635 1.00 0.04 H new ATOM 0 HB2 ASN A 60 -5.735 16.001 -5.939 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 -5.754 14.382 -6.607 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 -9.299 13.828 -5.898 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 -7.766 12.971 -6.089 1.00 -0.87 H new ATOM 858 N LEU A 61 -5.893 12.526 -2.928 1.00 -0.46 N ATOM 859 CA LEU A 61 -6.054 11.095 -2.655 1.00 0.04 C ATOM 860 C LEU A 61 -6.484 10.879 -1.215 1.00 0.62 C ATOM 861 O LEU A 61 -6.211 11.759 -0.415 1.00 -0.50 O ATOM 862 CB LEU A 61 -4.679 10.501 -3.073 1.00 -0.06 C ATOM 863 CG LEU A 61 -4.439 8.993 -2.782 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -3.424 8.416 -3.811 1.00 -0.11 C ATOM 865 CD2 LEU A 61 -3.892 8.796 -1.337 1.00 -0.11 C ATOM 0 H LEU A 61 -5.769 13.109 -2.100 1.00 -0.46 H new ATOM 0 HA LEU A 61 -6.848 10.590 -3.206 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -4.552 10.663 -4.143 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -3.898 11.071 -2.570 1.00 -0.06 H new ATOM 0 HG LEU A 61 -5.388 8.464 -2.871 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -3.258 7.359 -3.604 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -3.823 8.530 -4.819 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -2.479 8.954 -3.731 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -3.730 7.734 -1.151 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -2.949 9.331 -1.229 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -4.614 9.184 -0.619 1.00 -0.11 H new ATOM 877 N ASN A 62 -7.171 9.761 -0.863 1.00 -0.46 N ATOM 878 CA ASN A 62 -7.787 9.621 0.463 1.00 0.04 C ATOM 879 C ASN A 62 -7.199 8.447 1.223 1.00 0.62 C ATOM 880 O ASN A 62 -7.764 7.364 1.218 1.00 -0.50 O ATOM 881 CB ASN A 62 -9.320 9.497 0.247 1.00 -0.09 C ATOM 882 CG ASN A 62 -10.098 9.461 1.540 1.00 0.68 C ATOM 883 OD1 ASN A 62 -9.520 9.254 2.595 1.00 -0.47 O ATOM 884 ND2 ASN A 62 -11.432 9.652 1.495 1.00 -0.87 N ATOM 0 H ASN A 62 -7.306 8.958 -1.477 1.00 -0.46 H new ATOM 0 HA ASN A 62 -7.580 10.492 1.084 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -9.665 10.338 -0.355 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -9.529 8.591 -0.321 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -11.980 9.625 2.355 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -11.893 9.823 0.601 1.00 -0.87 H new ATOM 891 N GLU A 63 -6.049 8.650 1.904 1.00 -0.46 N ATOM 892 CA GLU A 63 -5.449 7.565 2.683 1.00 0.04 C ATOM 893 C GLU A 63 -6.401 6.991 3.709 1.00 0.62 C ATOM 894 O GLU A 63 -6.391 5.788 3.923 1.00 -0.50 O ATOM 895 CB GLU A 63 -4.146 8.007 3.412 1.00 -0.18 C ATOM 896 CG GLU A 63 -4.335 8.914 4.661 1.00 -0.40 C ATOM 897 CD GLU A 63 -4.925 10.252 4.302 1.00 0.71 C ATOM 898 OE1 GLU A 63 -6.169 10.313 4.107 1.00 -0.72 O ATOM 899 OE2 GLU A 63 -4.151 11.241 4.202 1.00 -0.72 O ATOM 0 H GLU A 63 -5.536 9.532 1.926 1.00 -0.46 H new ATOM 0 HA GLU A 63 -5.208 6.795 1.950 1.00 0.04 H new ATOM 0 HB2 GLU A 63 -3.603 7.112 3.717 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 -3.515 8.535 2.697 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 -4.984 8.412 5.379 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 -3.373 9.062 5.151 1.00 -0.40 H new ATOM 906 N ASP A 64 -7.223 7.823 4.384 1.00 -0.46 N ATOM 907 CA ASP A 64 -8.044 7.287 5.467 1.00 0.04 C ATOM 908 C ASP A 64 -9.088 6.348 4.902 1.00 0.62 C ATOM 909 O ASP A 64 -9.385 5.344 5.529 1.00 -0.50 O ATOM 910 CB ASP A 64 -8.635 8.415 6.352 1.00 -0.40 C ATOM 911 CG ASP A 64 -8.959 7.881 7.724 1.00 0.71 C ATOM 912 OD1 ASP A 64 -7.998 7.706 8.528 1.00 -0.72 O ATOM 913 OD2 ASP A 64 -10.159 7.628 8.007 1.00 -0.72 O ATOM 0 H ASP A 64 -7.328 8.821 4.203 1.00 -0.46 H new ATOM 0 HA ASP A 64 -7.416 6.702 6.139 1.00 0.04 H new ATOM 0 HB2 ASP A 64 -7.923 9.236 6.432 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 -9.535 8.818 5.888 1.00 -0.40 H new ATOM 918 N ASN A 65 -9.640 6.616 3.697 1.00 -0.46 N ATOM 919 CA ASN A 65 -10.509 5.620 3.070 1.00 0.04 C ATOM 920 C ASN A 65 -9.734 4.323 2.951 1.00 0.62 C ATOM 921 O ASN A 65 -10.211 3.294 3.405 1.00 -0.50 O ATOM 922 CB ASN A 65 -10.999 6.067 1.663 1.00 -0.09 C ATOM 923 CG ASN A 65 -11.939 5.076 1.019 1.00 0.68 C ATOM 924 OD1 ASN A 65 -12.641 4.370 1.725 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -11.998 4.998 -0.327 1.00 -0.87 N ATOM 0 H ASN A 65 -9.503 7.476 3.166 1.00 -0.46 H new ATOM 0 HA ASN A 65 -11.395 5.494 3.692 1.00 0.04 H new ATOM 0 HB2 ASN A 65 -11.501 7.031 1.749 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 -10.136 6.214 1.014 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 -12.638 4.340 -0.772 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 -11.403 5.597 -0.899 1.00 -0.87 H new ATOM 932 N ALA A 66 -8.519 4.353 2.355 1.00 -0.46 N ATOM 933 CA ALA A 66 -7.749 3.117 2.191 1.00 0.04 C ATOM 934 C ALA A 66 -7.588 2.354 3.483 1.00 0.62 C ATOM 935 O ALA A 66 -7.515 1.137 3.426 1.00 -0.50 O ATOM 936 CB ALA A 66 -6.333 3.380 1.631 1.00 -0.10 C ATOM 0 H ALA A 66 -8.070 5.194 1.993 1.00 -0.46 H new ATOM 0 HA ALA A 66 -8.330 2.524 1.484 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.801 2.434 1.527 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -6.411 3.861 0.656 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -5.787 4.030 2.314 1.00 -0.10 H new ATOM 942 N ARG A 67 -7.539 3.038 4.648 1.00 -0.46 N ATOM 943 CA ARG A 67 -7.493 2.323 5.928 1.00 0.04 C ATOM 944 C ARG A 67 -8.434 1.131 5.921 1.00 0.62 C ATOM 945 O ARG A 67 -8.078 0.073 6.414 1.00 -0.50 O ATOM 946 CB ARG A 67 -7.936 3.249 7.100 1.00 -0.08 C ATOM 947 CG ARG A 67 -7.420 2.788 8.492 1.00 -0.10 C ATOM 948 CD ARG A 67 -5.895 3.057 8.699 1.00 -0.23 C ATOM 949 NE ARG A 67 -5.402 4.267 8.019 1.00 -0.32 N ATOM 950 CZ ARG A 67 -5.723 5.501 8.350 1.00 0.76 C ATOM 951 NH1 ARG A 67 -6.473 5.797 9.380 1.00 -0.62 N ATOM 952 NH2 ARG A 67 -5.281 6.491 7.612 1.00 -0.62 N ATOM 0 H ARG A 67 -7.531 4.055 4.722 1.00 -0.46 H new ATOM 0 HA ARG A 67 -6.462 1.996 6.066 1.00 0.04 H new ATOM 0 HB2 ARG A 67 -7.578 4.260 6.907 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 -9.025 3.295 7.123 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 -7.983 3.303 9.271 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 -7.614 1.722 8.610 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 -5.694 3.145 9.767 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 -5.332 2.196 8.339 1.00 -0.23 H new ATOM 0 HE ARG A 67 -4.764 4.140 7.233 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 -6.841 5.053 9.973 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 -6.690 6.771 9.590 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 -4.699 6.299 6.797 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 -5.520 7.453 7.853 1.00 -0.62 H new ATOM 966 N SER A 68 -9.655 1.301 5.358 1.00 -0.46 N ATOM 967 CA SER A 68 -10.642 0.219 5.352 1.00 0.04 C ATOM 968 C SER A 68 -10.268 -0.990 4.518 1.00 0.62 C ATOM 969 O SER A 68 -10.873 -2.031 4.716 1.00 -0.50 O ATOM 970 CB SER A 68 -11.982 0.755 4.780 1.00 0.02 C ATOM 971 OG SER A 68 -12.361 1.983 5.422 1.00 -0.55 O ATOM 0 H SER A 68 -9.966 2.164 4.912 1.00 -0.46 H new ATOM 0 HA SER A 68 -10.707 -0.106 6.390 1.00 0.04 H new ATOM 0 HB2 SER A 68 -11.885 0.917 3.706 1.00 0.02 H new ATOM 0 HB3 SER A 68 -12.765 0.010 4.920 1.00 0.02 H new ATOM 0 HG SER A 68 -13.207 2.302 5.044 1.00 -0.55 H new ATOM 977 N ILE A 69 -9.315 -0.901 3.564 1.00 -0.46 N ATOM 978 CA ILE A 69 -9.040 -2.046 2.693 1.00 0.04 C ATOM 979 C ILE A 69 -8.694 -3.291 3.499 1.00 0.62 C ATOM 980 O ILE A 69 -9.443 -4.248 3.376 1.00 -0.50 O ATOM 981 CB ILE A 69 -8.036 -1.729 1.538 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -8.644 -0.704 0.531 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -7.641 -3.050 0.814 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -7.600 -0.064 -0.427 1.00 -0.09 C ATOM 0 H ILE A 69 -8.745 -0.074 3.387 1.00 -0.46 H new ATOM 0 HA ILE A 69 -9.968 -2.273 2.169 1.00 0.04 H new ATOM 0 HB ILE A 69 -7.141 -1.276 1.965 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 -9.409 -1.204 -0.063 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 -9.142 0.088 1.090 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 -6.941 -2.828 0.009 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 -7.172 -3.729 1.526 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 -8.534 -3.519 0.400 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 -8.101 0.636 -1.095 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 -6.848 0.466 0.157 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 -7.119 -0.845 -1.015 1.00 -0.09 H new ATOM 996 N PRO A 70 -7.615 -3.398 4.317 1.00 -0.23 N ATOM 997 CA PRO A 70 -7.379 -4.646 5.029 1.00 0.04 C ATOM 998 C PRO A 70 -8.572 -5.193 5.799 1.00 0.53 C ATOM 999 O PRO A 70 -8.906 -6.339 5.531 1.00 -0.50 O ATOM 1000 CB PRO A 70 -6.095 -4.325 5.843 1.00 -0.12 C ATOM 1001 CG PRO A 70 -5.854 -2.796 5.711 1.00 -0.12 C ATOM 1002 CD PRO A 70 -6.587 -2.376 4.416 1.00 -0.01 C ATOM 0 HA PRO A 70 -7.233 -5.503 4.371 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -6.218 -4.609 6.888 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 -5.243 -4.886 5.459 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -6.246 -2.260 6.576 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -4.789 -2.570 5.651 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -7.011 -1.375 4.492 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -5.924 -2.377 3.551 1.00 -0.01 H new ATOM 1010 N PRO A 71 -9.277 -4.491 6.727 1.00 -0.23 N ATOM 1011 CA PRO A 71 -10.445 -5.086 7.373 1.00 0.04 C ATOM 1012 C PRO A 71 -11.637 -5.064 6.436 1.00 0.53 C ATOM 1013 O PRO A 71 -12.604 -4.360 6.679 1.00 -0.50 O ATOM 1014 CB PRO A 71 -10.591 -4.123 8.578 1.00 -0.12 C ATOM 1015 CG PRO A 71 -10.153 -2.766 7.985 1.00 -0.12 C ATOM 1016 CD PRO A 71 -8.912 -3.148 7.145 1.00 -0.01 C ATOM 0 HA PRO A 71 -10.363 -6.135 7.657 1.00 0.04 H new ATOM 0 HB2 PRO A 71 -11.616 -4.091 8.949 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 -9.959 -4.422 9.414 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 -10.936 -2.320 7.371 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 -9.908 -2.044 8.764 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 -8.762 -2.477 6.299 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 -7.994 -3.132 7.732 1.00 -0.01 H new ATOM 1024 N LYS A 72 -11.578 -5.863 5.349 1.00 -0.46 N ATOM 1025 CA LYS A 72 -12.691 -5.954 4.400 1.00 0.04 C ATOM 1026 C LYS A 72 -12.533 -7.225 3.588 1.00 0.62 C ATOM 1027 O LYS A 72 -13.391 -8.090 3.659 1.00 -0.50 O ATOM 1028 CB LYS A 72 -12.775 -4.692 3.494 1.00 -0.10 C ATOM 1029 CG LYS A 72 -13.961 -4.766 2.492 1.00 -0.16 C ATOM 1030 CD LYS A 72 -13.937 -3.622 1.437 1.00 -0.18 C ATOM 1031 CE LYS A 72 -13.989 -2.204 2.070 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -14.202 -1.164 1.037 1.00 -0.14 N ATOM 0 H LYS A 72 -10.775 -6.447 5.114 1.00 -0.46 H new ATOM 0 HA LYS A 72 -13.633 -5.995 4.947 1.00 0.04 H new ATOM 0 HB2 LYS A 72 -12.884 -3.805 4.118 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 -11.842 -4.580 2.942 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 -13.936 -5.727 1.978 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 -14.900 -4.724 3.045 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 -13.033 -3.711 0.835 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 -14.784 -3.742 0.761 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 -14.793 -2.160 2.805 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 -13.059 -2.006 2.603 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 -13.680 -0.303 1.298 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 -13.860 -1.512 0.119 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 -15.216 -0.946 0.968 1.00 -0.14 H new ATOM 1046 N CYS A 73 -11.429 -7.374 2.819 1.00 -0.46 N ATOM 1047 CA CYS A 73 -11.188 -8.646 2.139 1.00 0.04 C ATOM 1048 C CYS A 73 -10.811 -9.709 3.155 1.00 0.62 C ATOM 1049 O CYS A 73 -11.205 -10.848 2.963 1.00 -0.50 O ATOM 1050 CB CYS A 73 -10.065 -8.504 1.080 1.00 -0.10 C ATOM 1051 SG CYS A 73 -9.970 -10.024 0.077 1.00 0.82 S ATOM 0 H CYS A 73 -10.723 -6.655 2.664 1.00 -0.46 H new ATOM 0 HA CYS A 73 -12.104 -8.942 1.628 1.00 0.04 H new ATOM 0 HB2 CYS A 73 -10.263 -7.645 0.439 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 -9.109 -8.321 1.571 1.00 -0.10 H new ATOM 1056 N GLY A 74 -10.051 -9.353 4.221 1.00 -0.46 N ATOM 1057 CA GLY A 74 -9.711 -10.305 5.285 1.00 0.04 C ATOM 1058 C GLY A 74 -8.215 -10.513 5.358 1.00 0.62 C ATOM 1059 O GLY A 74 -7.757 -11.605 5.061 1.00 -0.50 O ATOM 0 H GLY A 74 -9.669 -8.417 4.358 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 -10.079 -9.935 6.242 1.00 0.04 H new ATOM 0 HA3 GLY A 74 -10.207 -11.258 5.100 1.00 0.04 H new ATOM 1063 N VAL A 75 -7.436 -9.470 5.734 1.00 -0.46 N ATOM 1064 CA VAL A 75 -5.971 -9.565 5.683 1.00 0.04 C ATOM 1065 C VAL A 75 -5.346 -8.362 6.369 1.00 0.62 C ATOM 1066 O VAL A 75 -6.044 -7.368 6.495 1.00 -0.50 O ATOM 1067 CB VAL A 75 -5.539 -9.667 4.186 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 -6.214 -8.548 3.350 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 -3.999 -9.638 3.991 1.00 -0.09 C ATOM 0 H VAL A 75 -7.795 -8.575 6.068 1.00 -0.46 H new ATOM 0 HA VAL A 75 -5.624 -10.452 6.213 1.00 0.04 H new ATOM 0 HB VAL A 75 -5.878 -10.640 3.830 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 -5.902 -8.633 2.309 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 -7.297 -8.649 3.414 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 -5.917 -7.574 3.739 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 -3.765 -9.712 2.929 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 -3.600 -8.704 4.386 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 -3.549 -10.477 4.521 1.00 -0.09 H new ATOM 1079 N ASN A 76 -4.067 -8.416 6.819 1.00 -0.46 N ATOM 1080 CA ASN A 76 -3.441 -7.268 7.485 1.00 0.04 C ATOM 1081 C ASN A 76 -2.025 -7.035 6.989 1.00 0.62 C ATOM 1082 O ASN A 76 -1.480 -7.916 6.344 1.00 -0.50 O ATOM 1083 CB ASN A 76 -3.446 -7.505 9.017 1.00 -0.09 C ATOM 1084 CG ASN A 76 -2.659 -8.751 9.343 1.00 0.68 C ATOM 1085 OD1 ASN A 76 -1.465 -8.653 9.573 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 -3.286 -9.946 9.360 1.00 -0.87 N ATOM 0 H ASN A 76 -3.464 -9.234 6.730 1.00 -0.46 H new ATOM 0 HA ASN A 76 -4.016 -6.373 7.247 1.00 0.04 H new ATOM 0 HB2 ASN A 76 -3.013 -6.646 9.529 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 -4.470 -7.606 9.375 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 -2.760 -10.795 9.569 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 -4.286 -10.000 9.164 1.00 -0.87 H new ATOM 1093 N LEU A 77 -1.438 -5.845 7.272 1.00 -0.46 N ATOM 1094 CA LEU A 77 -0.094 -5.487 6.793 1.00 0.04 C ATOM 1095 C LEU A 77 0.808 -5.274 7.996 1.00 0.62 C ATOM 1096 O LEU A 77 0.244 -5.003 9.044 1.00 -0.50 O ATOM 1097 CB LEU A 77 -0.157 -4.119 6.053 1.00 -0.06 C ATOM 1098 CG LEU A 77 -0.811 -4.142 4.642 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 -2.247 -4.729 4.662 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 -0.849 -2.692 4.082 1.00 -0.11 C ATOM 0 H LEU A 77 -1.883 -5.119 7.833 1.00 -0.46 H new ATOM 0 HA LEU A 77 0.273 -6.277 6.138 1.00 0.04 H new ATOM 0 HB2 LEU A 77 -0.708 -3.415 6.677 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 0.858 -3.733 5.956 1.00 -0.06 H new ATOM 0 HG LEU A 77 -0.208 -4.789 4.005 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 -2.657 -4.722 3.652 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 -2.216 -5.753 5.034 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 -2.878 -4.125 5.314 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 -1.306 -2.696 3.092 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 -1.434 -2.059 4.749 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 0.167 -2.303 4.011 1.00 -0.11 H new ATOM 1112 N PRO A 78 2.166 -5.341 7.947 1.00 -0.23 N ATOM 1113 CA PRO A 78 2.937 -4.986 9.134 1.00 0.04 C ATOM 1114 C PRO A 78 2.743 -3.520 9.474 1.00 0.53 C ATOM 1115 O PRO A 78 2.794 -3.197 10.650 1.00 -0.50 O ATOM 1116 CB PRO A 78 4.367 -5.380 8.687 1.00 -0.12 C ATOM 1117 CG PRO A 78 4.331 -5.268 7.147 1.00 -0.12 C ATOM 1118 CD PRO A 78 2.911 -5.755 6.763 1.00 -0.01 C ATOM 0 HA PRO A 78 2.655 -5.482 10.063 1.00 0.04 H new ATOM 0 HB2 PRO A 78 5.115 -4.714 9.117 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 4.619 -6.391 9.006 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 4.503 -4.243 6.818 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 5.102 -5.885 6.685 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 2.541 -5.282 5.853 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 2.870 -6.832 6.602 1.00 -0.01 H new ATOM 1126 N TYR A 79 2.484 -2.620 8.493 1.00 -0.46 N ATOM 1127 CA TYR A 79 2.045 -1.258 8.818 1.00 0.04 C ATOM 1128 C TYR A 79 1.062 -0.783 7.770 1.00 0.62 C ATOM 1129 O TYR A 79 1.058 -1.345 6.687 1.00 -0.50 O ATOM 1130 CB TYR A 79 3.222 -0.261 8.949 1.00 -0.10 C ATOM 1131 CG TYR A 79 3.826 0.051 7.573 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 4.790 -0.804 7.031 1.00 0.00 C ATOM 1133 CD2 TYR A 79 3.436 1.188 6.854 1.00 0.00 C ATOM 1134 CE1 TYR A 79 5.409 -0.481 5.822 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 4.049 1.500 5.636 1.00 -0.26 C ATOM 1136 CZ TYR A 79 5.047 0.672 5.118 1.00 0.46 C ATOM 1137 OH TYR A 79 5.671 1.007 3.914 1.00 -0.53 O ATOM 0 H TYR A 79 2.571 -2.815 7.496 1.00 -0.46 H new ATOM 0 HA TYR A 79 1.562 -1.293 9.795 1.00 0.04 H new ATOM 0 HB2 TYR A 79 2.874 0.660 9.416 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 3.988 -0.679 9.601 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 5.056 -1.714 7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.657 1.828 7.242 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.177 -1.129 5.426 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 3.749 2.385 5.094 1.00 -0.26 H new ATOM 0 HH TYR A 79 5.289 1.840 3.568 1.00 -0.53 H new ATOM 1147 N THR A 80 0.211 0.228 8.054 1.00 -0.46 N ATOM 1148 CA THR A 80 -0.848 0.569 7.105 1.00 0.04 C ATOM 1149 C THR A 80 -0.294 1.360 5.941 1.00 0.62 C ATOM 1150 O THR A 80 -0.160 0.794 4.867 1.00 -0.50 O ATOM 1151 CB THR A 80 -2.008 1.328 7.806 1.00 0.17 C ATOM 1152 OG1 THR A 80 -1.439 2.478 8.454 1.00 -0.55 O ATOM 1153 CG2 THR A 80 -2.712 0.418 8.850 1.00 -0.19 C ATOM 0 H THR A 80 0.240 0.797 8.900 1.00 -0.46 H new ATOM 0 HA THR A 80 -1.258 -0.360 6.710 1.00 0.04 H new ATOM 0 HB THR A 80 -2.759 1.627 7.075 1.00 0.17 H new ATOM 0 HG1 THR A 80 -2.147 2.982 8.906 1.00 -0.55 H new ATOM 0 HG21 THR A 80 -3.521 0.971 9.328 1.00 -0.19 H new ATOM 0 HG22 THR A 80 -3.119 -0.461 8.351 1.00 -0.19 H new ATOM 0 HG23 THR A 80 -1.991 0.105 9.605 1.00 -0.19 H new ATOM 1161 N ILE A 81 0.027 2.664 6.115 1.00 -0.46 N ATOM 1162 CA ILE A 81 0.454 3.476 4.970 1.00 0.04 C ATOM 1163 C ILE A 81 1.162 4.742 5.419 1.00 0.62 C ATOM 1164 O ILE A 81 0.750 5.301 6.422 1.00 -0.50 O ATOM 1165 CB ILE A 81 -0.777 3.770 4.057 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 -0.359 4.511 2.753 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 -1.882 4.538 4.839 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 -1.449 4.471 1.647 1.00 -0.09 C ATOM 0 H ILE A 81 -0.002 3.156 7.008 1.00 -0.46 H new ATOM 0 HA ILE A 81 1.185 2.918 4.385 1.00 0.04 H new ATOM 0 HB ILE A 81 -1.202 2.814 3.751 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -0.131 5.550 2.991 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 0.557 4.064 2.367 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -2.728 4.730 4.179 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -2.212 3.938 5.687 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -1.481 5.485 5.200 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 -1.093 5.006 0.766 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -1.661 3.435 1.382 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -2.359 4.944 2.016 1.00 -0.09 H new ATOM 1180 N SER A 82 2.225 5.220 4.723 1.00 -0.46 N ATOM 1181 CA SER A 82 3.005 6.362 5.222 1.00 0.04 C ATOM 1182 C SER A 82 2.556 7.702 4.680 1.00 0.62 C ATOM 1183 O SER A 82 3.387 8.512 4.296 1.00 -0.50 O ATOM 1184 CB SER A 82 4.511 6.143 4.937 1.00 0.02 C ATOM 1185 OG SER A 82 5.260 7.191 5.582 1.00 -0.55 O ATOM 0 H SER A 82 2.550 4.837 3.835 1.00 -0.46 H new ATOM 0 HA SER A 82 2.828 6.402 6.297 1.00 0.04 H new ATOM 0 HB2 SER A 82 4.828 5.168 5.308 1.00 0.02 H new ATOM 0 HB3 SER A 82 4.698 6.151 3.863 1.00 0.02 H new ATOM 0 HG SER A 82 4.981 8.060 5.225 1.00 -0.55 H new ATOM 1191 N LEU A 83 1.232 7.964 4.661 1.00 -0.46 N ATOM 1192 CA LEU A 83 0.728 9.295 4.317 1.00 0.04 C ATOM 1193 C LEU A 83 0.365 9.997 5.609 1.00 0.62 C ATOM 1194 O LEU A 83 0.906 11.063 5.856 1.00 -0.50 O ATOM 1195 CB LEU A 83 -0.450 9.170 3.317 1.00 -0.06 C ATOM 1196 CG LEU A 83 0.002 8.570 1.950 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 -1.237 8.117 1.134 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 0.847 9.563 1.102 1.00 -0.11 C ATOM 0 H LEU A 83 0.509 7.278 4.877 1.00 -0.46 H new ATOM 0 HA LEU A 83 1.480 9.899 3.809 1.00 0.04 H new ATOM 0 HB2 LEU A 83 -1.227 8.540 3.750 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 -0.891 10.153 3.153 1.00 -0.06 H new ATOM 0 HG LEU A 83 0.639 7.716 2.178 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 -0.912 7.699 0.181 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 -1.785 7.359 1.694 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 -1.886 8.974 0.952 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 1.132 9.089 0.163 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 0.258 10.456 0.893 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 1.744 9.841 1.655 1.00 -0.11 H new ATOM 1210 N ASN A 84 -0.517 9.408 6.453 1.00 -0.46 N ATOM 1211 CA ASN A 84 -0.800 9.980 7.773 1.00 0.04 C ATOM 1212 C ASN A 84 -0.334 9.057 8.886 1.00 0.62 C ATOM 1213 O ASN A 84 -0.849 9.190 9.984 1.00 -0.50 O ATOM 1214 CB ASN A 84 -2.318 10.313 7.818 1.00 -0.09 C ATOM 1215 CG ASN A 84 -2.702 11.283 8.913 1.00 0.68 C ATOM 1216 OD1 ASN A 84 -2.966 12.438 8.622 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 -2.748 10.862 10.191 1.00 -0.87 N ATOM 0 H ASN A 84 -1.031 8.553 6.240 1.00 -0.46 H new ATOM 0 HA ASN A 84 -0.240 10.901 7.936 1.00 0.04 H new ATOM 0 HB2 ASN A 84 -2.617 10.730 6.856 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 -2.879 9.388 7.953 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 -3.007 11.512 10.933 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 -2.524 9.893 10.417 1.00 -0.87 H new ATOM 1224 N ILE A 85 0.623 8.120 8.653 1.00 -0.46 N ATOM 1225 CA ILE A 85 1.157 7.292 9.742 1.00 0.04 C ATOM 1226 C ILE A 85 2.677 7.366 9.689 1.00 0.62 C ATOM 1227 O ILE A 85 3.190 8.348 10.202 1.00 -0.50 O ATOM 1228 CB ILE A 85 0.542 5.858 9.840 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 -1.016 5.873 9.967 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 1.152 5.108 11.063 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 -1.769 6.015 8.615 1.00 -0.09 C ATOM 0 H ILE A 85 1.027 7.929 7.736 1.00 -0.46 H new ATOM 0 HA ILE A 85 0.833 7.701 10.699 1.00 0.04 H new ATOM 0 HB ILE A 85 0.787 5.343 8.911 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 -1.338 4.952 10.453 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 -1.307 6.696 10.619 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 0.721 4.109 11.129 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 2.232 5.030 10.940 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 0.929 5.660 11.976 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 -2.844 6.016 8.796 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 -1.481 6.950 8.134 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 -1.511 5.178 7.965 1.00 -0.09 H new ATOM 1243 N ASP A 86 3.440 6.411 9.099 1.00 -0.46 N ATOM 1244 CA ASP A 86 4.901 6.525 9.126 1.00 0.04 C ATOM 1245 C ASP A 86 5.602 5.602 8.144 1.00 0.62 C ATOM 1246 O ASP A 86 5.026 4.605 7.739 1.00 -0.50 O ATOM 1247 CB ASP A 86 5.405 6.204 10.560 1.00 -0.40 C ATOM 1248 CG ASP A 86 6.904 6.309 10.632 1.00 0.71 C ATOM 1249 OD1 ASP A 86 7.427 7.453 10.566 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 7.576 5.245 10.715 1.00 -0.72 O ATOM 0 H ASP A 86 3.076 5.588 8.619 1.00 -0.46 H new ATOM 0 HA ASP A 86 5.142 7.546 8.830 1.00 0.04 H new ATOM 0 HB2 ASP A 86 4.952 6.893 11.273 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 5.092 5.200 10.845 1.00 -0.40 H new ATOM 1255 N CYS A 87 6.864 5.920 7.763 1.00 -0.46 N ATOM 1256 CA CYS A 87 7.628 5.064 6.849 1.00 0.04 C ATOM 1257 C CYS A 87 7.877 3.669 7.375 1.00 0.62 C ATOM 1258 O CYS A 87 8.195 2.827 6.550 1.00 -0.50 O ATOM 1259 CB CYS A 87 8.979 5.752 6.521 1.00 -0.10 C ATOM 1260 SG CYS A 87 10.003 4.849 5.310 1.00 0.82 S ATOM 0 H CYS A 87 7.361 6.754 8.075 1.00 -0.46 H new ATOM 0 HA CYS A 87 7.020 4.941 5.952 1.00 0.04 H new ATOM 0 HB2 CYS A 87 8.781 6.753 6.138 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 9.547 5.871 7.444 1.00 -0.10 H new ATOM 1265 N SER A 88 7.763 3.386 8.692 1.00 -0.46 N ATOM 1266 CA SER A 88 7.945 2.015 9.171 1.00 0.04 C ATOM 1267 C SER A 88 9.262 1.467 8.668 1.00 0.62 C ATOM 1268 O SER A 88 9.294 0.440 8.008 1.00 -0.50 O ATOM 1269 CB SER A 88 6.724 1.163 8.737 1.00 0.02 C ATOM 1270 OG SER A 88 6.803 -0.182 9.240 1.00 -0.55 O ATOM 0 H SER A 88 7.552 4.072 9.416 1.00 -0.46 H new ATOM 0 HA SER A 88 7.992 1.986 10.260 1.00 0.04 H new ATOM 0 HB2 SER A 88 5.808 1.632 9.096 1.00 0.02 H new ATOM 0 HB3 SER A 88 6.665 1.141 7.649 1.00 0.02 H new ATOM 0 HG SER A 88 6.201 -0.759 8.726 1.00 -0.55 H new ATOM 1276 N ARG A 89 10.380 2.167 8.974 1.00 -0.46 N ATOM 1277 CA ARG A 89 11.687 1.704 8.506 1.00 0.04 C ATOM 1278 C ARG A 89 12.107 0.508 9.334 1.00 0.62 C ATOM 1279 O ARG A 89 13.024 0.622 10.131 1.00 -0.50 O ATOM 1280 CB ARG A 89 12.764 2.826 8.575 1.00 -0.08 C ATOM 1281 CG ARG A 89 12.439 3.996 7.607 1.00 -0.10 C ATOM 1282 CD ARG A 89 13.483 5.145 7.700 1.00 -0.23 C ATOM 1283 NE ARG A 89 13.409 5.874 8.973 1.00 -0.32 N ATOM 1284 CZ ARG A 89 14.240 6.836 9.316 1.00 0.76 C ATOM 1285 NH1 ARG A 89 15.212 7.246 8.539 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 14.094 7.417 10.482 1.00 -0.62 N ATOM 0 H ARG A 89 10.396 3.025 9.525 1.00 -0.46 H new ATOM 0 HA ARG A 89 11.599 1.420 7.457 1.00 0.04 H new ATOM 0 HB2 ARG A 89 12.829 3.205 9.595 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 13.740 2.409 8.327 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 12.406 3.620 6.584 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 11.448 4.389 7.835 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 14.484 4.732 7.580 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 13.325 5.842 6.877 1.00 -0.23 H new ATOM 0 HE ARG A 89 12.671 5.620 9.630 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 15.350 6.816 7.624 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 15.831 7.995 8.849 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 13.345 7.122 11.108 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 14.729 8.164 10.763 1.00 -0.62 H new ATOM 1300 N VAL A 90 11.457 -0.666 9.164 1.00 -0.46 N ATOM 1301 CA VAL A 90 11.871 -1.833 9.940 1.00 0.04 C ATOM 1302 C VAL A 90 13.171 -2.319 9.348 1.00 0.62 C ATOM 1303 O VAL A 90 13.270 -2.524 8.147 1.00 -0.50 O ATOM 1304 CB VAL A 90 10.819 -2.980 9.963 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 11.329 -4.163 10.834 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 9.454 -2.475 10.509 1.00 -0.09 C ATOM 1307 OXT VAL A 90 14.179 -2.497 10.210 1.00 0.00 O ATOM 0 H VAL A 90 10.678 -0.818 8.523 1.00 -0.46 H new ATOM 0 HA VAL A 90 11.983 -1.534 10.982 1.00 0.04 H new ATOM 0 HB VAL A 90 10.675 -3.324 8.939 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 10.583 -4.958 10.841 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 12.262 -4.545 10.419 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 11.500 -3.817 11.853 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 8.738 -3.297 10.514 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 9.584 -2.101 11.524 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 9.082 -1.673 9.872 1.00 -0.09 H new