USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 51 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.0066) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot 120:sc= 1.2 USER MOD Set 3.2: A 21 ASN : amide:sc= -0.948! X(o=0.26!,f=0.22) USER MOD Set 4.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 24 ASN : amide:sc= -2.34! C(o=-2.3!,f=-4.2!) USER MOD Single : A 1 ILE N :NH3+ 141:sc= -0.406 (180deg=-1.1) USER MOD Single : A 2 GLN :FLIP amide:sc= -1.61! C(o=-3.2!,f=-1.6!) USER MOD Single : A 4 THR OG1 : rot 21:sc= 0.503! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 13 HIS : no HD1:sc= -0.466 X(o=-0.47,f=0.03) USER MOD Single : A 17 ASN : amide:sc= -4.32! C(o=-4.3!,f=-8!) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.0101 (180deg=-0.183) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -174:sc= -0.525 USER MOD Single : A 31 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.014) USER MOD Single : A 33 SER OG : rot 8:sc= 1.23 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 140:sc= -1.28 (180deg=-3.7!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.362 USER MOD Single : A 55 SER OG : rot 113:sc= 0.244 USER MOD Single : A 57 SER OG : rot 38:sc= 0.0706 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.0408 (180deg=-0.305) USER MOD Single : A 61 SER OG : rot -140:sc= 0.0248 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 30:sc= -0.0186 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -18:sc= 0.707 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -50:sc= 0.906 USER MOD Single : A 83 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.4!) USER MOD Single : A 84 HIS : no HD1:sc= -2.42 K(o=-2.4,f=-5.3!) USER MOD Single : A 86 THR OG1 : rot -80:sc= -0.933 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0288) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0635) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -22.422 -9.088 -2.251 1.00 0.00 N ATOM 2 CA ILE A 1 -22.189 -8.099 -3.324 1.00 0.00 C ATOM 3 C ILE A 1 -21.189 -7.054 -2.850 1.00 0.00 C ATOM 4 O ILE A 1 -21.245 -6.614 -1.702 1.00 0.00 O ATOM 5 CB ILE A 1 -23.516 -7.430 -3.782 1.00 0.00 C ATOM 6 CG1 ILE A 1 -24.317 -6.864 -2.597 1.00 0.00 C ATOM 7 CG2 ILE A 1 -24.363 -8.429 -4.550 1.00 0.00 C ATOM 8 CD1 ILE A 1 -23.996 -5.421 -2.259 1.00 0.00 C ATOM 0 H1 ILE A 1 -23.429 -9.349 -2.232 1.00 0.00 H new ATOM 0 H2 ILE A 1 -21.848 -9.937 -2.430 1.00 0.00 H new ATOM 0 H3 ILE A 1 -22.154 -8.676 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.777 -8.620 -4.188 1.00 0.00 H new ATOM 0 HB ILE A 1 -23.255 -6.594 -4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -25.381 -6.944 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -24.129 -7.481 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -25.290 -7.952 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -23.814 -8.773 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -24.593 -9.280 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -24.604 -5.102 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -22.941 -5.334 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -24.212 -4.789 -3.120 1.00 0.00 H new ATOM 19 N GLN A 2 -20.258 -6.681 -3.719 1.00 0.00 N ATOM 20 CA GLN A 2 -19.175 -5.789 -3.332 1.00 0.00 C ATOM 21 C GLN A 2 -18.309 -5.465 -4.554 1.00 0.00 C ATOM 22 O GLN A 2 -18.539 -5.995 -5.642 1.00 0.00 O ATOM 23 CB GLN A 2 -18.316 -6.476 -2.258 1.00 0.00 C ATOM 24 CG GLN A 2 -17.640 -5.525 -1.281 1.00 0.00 C ATOM 25 CD GLN A 2 -18.626 -4.910 -0.307 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.233 -3.799 -0.692 1.00 0.00 O flip ATOM 27 NE2 GLN A 2 -18.859 -5.442 0.779 1.00 0.00 N flip ATOM 0 H GLN A 2 -20.232 -6.982 -4.693 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.590 -4.863 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -18.945 -7.166 -1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.550 -7.073 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.871 -6.063 -0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -17.138 -4.733 -1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.372 -6.298 1.042 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.539 -5.026 1.415 1.00 0.00 H new ATOM 36 N ARG A 3 -17.316 -4.607 -4.369 1.00 0.00 N ATOM 37 CA ARG A 3 -16.350 -4.301 -5.420 1.00 0.00 C ATOM 38 C ARG A 3 -14.949 -4.606 -4.915 1.00 0.00 C ATOM 39 O ARG A 3 -14.637 -4.334 -3.753 1.00 0.00 O ATOM 40 CB ARG A 3 -16.464 -2.835 -5.870 1.00 0.00 C ATOM 41 CG ARG A 3 -15.252 -2.341 -6.666 1.00 0.00 C ATOM 42 CD ARG A 3 -15.609 -1.218 -7.637 1.00 0.00 C ATOM 43 NE ARG A 3 -16.388 -0.147 -7.011 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.128 1.155 -7.164 1.00 0.00 C ATOM 45 NH1 ARG A 3 -15.046 1.553 -7.825 1.00 0.00 N ATOM 46 NH2 ARG A 3 -16.945 2.059 -6.636 1.00 0.00 N ATOM 0 H ARG A 3 -17.156 -4.106 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.563 -4.923 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.360 -2.720 -6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.593 -2.203 -4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.486 -1.990 -5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.822 -3.174 -7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.692 -0.798 -8.052 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.176 -1.632 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.178 -0.411 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.407 0.863 -8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.855 2.549 -7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.769 1.759 -6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.749 3.053 -6.752 1.00 0.00 H new ATOM 60 N THR A 4 -14.117 -5.186 -5.773 1.00 0.00 N ATOM 61 CA THR A 4 -12.796 -5.621 -5.352 1.00 0.00 C ATOM 62 C THR A 4 -11.865 -4.423 -5.187 1.00 0.00 C ATOM 63 O THR A 4 -11.686 -3.644 -6.127 1.00 0.00 O ATOM 64 CB THR A 4 -12.147 -6.618 -6.358 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.691 -5.921 -7.526 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.135 -7.688 -6.794 1.00 0.00 C ATOM 0 H THR A 4 -14.333 -5.363 -6.754 1.00 0.00 H new ATOM 0 HA THR A 4 -12.931 -6.133 -4.399 1.00 0.00 H new ATOM 0 HB THR A 4 -11.308 -7.091 -5.848 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.568 -4.972 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.650 -8.367 -7.495 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.473 -8.248 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.991 -7.217 -7.277 1.00 0.00 H new ATOM 74 N PRO A 5 -11.272 -4.242 -3.999 1.00 0.00 N ATOM 75 CA PRO A 5 -10.254 -3.224 -3.804 1.00 0.00 C ATOM 76 C PRO A 5 -8.976 -3.616 -4.538 1.00 0.00 C ATOM 77 O PRO A 5 -8.430 -4.699 -4.318 1.00 0.00 O ATOM 78 CB PRO A 5 -10.018 -3.193 -2.287 1.00 0.00 C ATOM 79 CG PRO A 5 -11.051 -4.092 -1.679 1.00 0.00 C ATOM 80 CD PRO A 5 -11.539 -5.002 -2.773 1.00 0.00 C ATOM 0 HA PRO A 5 -10.556 -2.251 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.013 -3.536 -2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.111 -2.178 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.625 -4.669 -0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.874 -3.509 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.009 -5.954 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.600 -5.227 -2.664 1.00 0.00 H new ATOM 88 N LYS A 6 -8.506 -2.745 -5.414 1.00 0.00 N ATOM 89 CA LYS A 6 -7.361 -3.059 -6.251 1.00 0.00 C ATOM 90 C LYS A 6 -6.103 -2.416 -5.683 1.00 0.00 C ATOM 91 O LYS A 6 -6.175 -1.403 -4.982 1.00 0.00 O ATOM 92 CB LYS A 6 -7.615 -2.589 -7.688 1.00 0.00 C ATOM 93 CG LYS A 6 -6.587 -3.091 -8.687 1.00 0.00 C ATOM 94 CD LYS A 6 -6.974 -2.737 -10.111 1.00 0.00 C ATOM 95 CE LYS A 6 -5.991 -3.318 -11.111 1.00 0.00 C ATOM 96 NZ LYS A 6 -6.417 -3.072 -12.511 1.00 0.00 N ATOM 0 H LYS A 6 -8.899 -1.816 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.215 -4.139 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.605 -2.923 -8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.625 -1.499 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.613 -2.660 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.487 -4.172 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.975 -3.113 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.010 -1.653 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.006 -2.880 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.894 -4.391 -10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.720 -3.484 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.345 -3.512 -12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.485 -2.048 -12.678 1.00 0.00 H new ATOM 110 N ILE A 7 -4.957 -3.007 -5.987 1.00 0.00 N ATOM 111 CA ILE A 7 -3.701 -2.583 -5.392 1.00 0.00 C ATOM 112 C ILE A 7 -2.990 -1.578 -6.274 1.00 0.00 C ATOM 113 O ILE A 7 -2.871 -1.768 -7.486 1.00 0.00 O ATOM 114 CB ILE A 7 -2.737 -3.766 -5.170 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.507 -5.073 -4.984 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.841 -3.498 -3.967 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.417 -5.086 -3.783 1.00 0.00 C ATOM 0 H ILE A 7 -4.872 -3.783 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.961 -2.136 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.112 -3.868 -6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.101 -5.263 -5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.794 -5.893 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.165 -4.341 -3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.259 -2.593 -4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.456 -3.368 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.926 -6.048 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.829 -4.930 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.156 -4.290 -3.877 1.00 0.00 H new ATOM 129 N GLN A 8 -2.521 -0.511 -5.657 1.00 0.00 N ATOM 130 CA GLN A 8 -1.664 0.454 -6.339 1.00 0.00 C ATOM 131 C GLN A 8 -0.627 0.945 -5.320 1.00 0.00 C ATOM 132 O GLN A 8 -0.982 1.523 -4.291 1.00 0.00 O ATOM 133 CB GLN A 8 -2.497 1.650 -6.912 1.00 0.00 C ATOM 134 CG GLN A 8 -3.992 1.370 -6.913 1.00 0.00 C ATOM 135 CD GLN A 8 -4.816 2.552 -7.377 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.216 3.400 -6.582 1.00 0.00 O ATOM 137 NE2 GLN A 8 -5.085 2.609 -8.671 1.00 0.00 N ATOM 0 H GLN A 8 -2.717 -0.285 -4.682 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.171 -0.016 -7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.298 2.544 -6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.170 1.862 -7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.196 0.516 -7.560 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.304 1.089 -5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.734 1.885 -9.297 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.644 3.377 -9.042 1.00 0.00 H new ATOM 146 N VAL A 9 0.642 0.682 -5.602 1.00 0.00 N ATOM 147 CA VAL A 9 1.727 0.997 -4.682 1.00 0.00 C ATOM 148 C VAL A 9 2.888 1.652 -5.423 1.00 0.00 C ATOM 149 O VAL A 9 3.333 1.168 -6.466 1.00 0.00 O ATOM 150 CB VAL A 9 2.213 -0.268 -3.904 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.238 -1.499 -4.793 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.589 -0.049 -3.285 1.00 0.00 C ATOM 0 H VAL A 9 0.948 0.246 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 9 1.339 1.703 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 9 1.494 -0.437 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.581 -2.358 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.235 -1.694 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.916 -1.330 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.895 -0.949 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.311 0.170 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.546 0.788 -2.589 1.00 0.00 H new ATOM 162 N TYR A 10 3.359 2.761 -4.875 1.00 0.00 N ATOM 163 CA TYR A 10 4.446 3.521 -5.466 1.00 0.00 C ATOM 164 C TYR A 10 5.073 4.400 -4.393 1.00 0.00 C ATOM 165 O TYR A 10 4.530 4.523 -3.296 1.00 0.00 O ATOM 166 CB TYR A 10 3.950 4.359 -6.662 1.00 0.00 C ATOM 167 CG TYR A 10 2.899 5.403 -6.334 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.262 6.698 -5.984 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.543 5.098 -6.394 1.00 0.00 C ATOM 170 CE1 TYR A 10 2.308 7.657 -5.699 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.584 6.052 -6.111 1.00 0.00 C ATOM 172 CZ TYR A 10 0.971 7.329 -5.765 1.00 0.00 C ATOM 173 OH TYR A 10 0.016 8.281 -5.478 1.00 0.00 O ATOM 0 H TYR A 10 2.998 3.159 -4.008 1.00 0.00 H new ATOM 0 HA TYR A 10 5.201 2.836 -5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.807 4.860 -7.113 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.544 3.683 -7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.309 6.960 -5.934 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.235 4.099 -6.666 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.609 8.658 -5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.465 5.798 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.877 7.888 -5.572 1.00 0.00 H new ATOM 183 N SER A 11 6.215 4.992 -4.694 1.00 0.00 N ATOM 184 CA SER A 11 6.905 5.826 -3.726 1.00 0.00 C ATOM 185 C SER A 11 6.365 7.246 -3.802 1.00 0.00 C ATOM 186 O SER A 11 6.121 7.772 -4.890 1.00 0.00 O ATOM 187 CB SER A 11 8.409 5.810 -3.987 1.00 0.00 C ATOM 188 OG SER A 11 9.103 6.520 -2.980 1.00 0.00 O ATOM 0 H SER A 11 6.683 4.911 -5.597 1.00 0.00 H new ATOM 0 HA SER A 11 6.730 5.433 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.765 4.780 -4.023 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.618 6.254 -4.960 1.00 0.00 H new ATOM 0 HG SER A 11 9.725 5.916 -2.523 1.00 0.00 H new ATOM 194 N ARG A 12 6.160 7.844 -2.632 1.00 0.00 N ATOM 195 CA ARG A 12 5.553 9.170 -2.533 1.00 0.00 C ATOM 196 C ARG A 12 6.475 10.220 -3.162 1.00 0.00 C ATOM 197 O ARG A 12 6.015 11.134 -3.847 1.00 0.00 O ATOM 198 CB ARG A 12 5.269 9.481 -1.049 1.00 0.00 C ATOM 199 CG ARG A 12 4.116 10.471 -0.765 1.00 0.00 C ATOM 200 CD ARG A 12 4.215 11.788 -1.534 1.00 0.00 C ATOM 201 NE ARG A 12 2.943 12.164 -2.143 1.00 0.00 N ATOM 202 CZ ARG A 12 2.839 13.022 -3.155 1.00 0.00 C ATOM 203 NH1 ARG A 12 3.936 13.510 -3.723 1.00 0.00 N ATOM 204 NH2 ARG A 12 1.646 13.382 -3.608 1.00 0.00 N ATOM 0 H ARG A 12 6.407 7.429 -1.733 1.00 0.00 H new ATOM 0 HA ARG A 12 4.611 9.193 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.048 8.543 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.180 9.880 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.170 9.989 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.094 10.688 0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.541 12.579 -0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.976 11.698 -2.310 1.00 0.00 H new ATOM 0 HE ARG A 12 2.089 11.747 -1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.855 13.227 -3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.859 14.168 -4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.802 13.001 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.572 14.040 -4.384 1.00 0.00 H new ATOM 218 N HIS A 13 7.772 10.082 -2.929 1.00 0.00 N ATOM 219 CA HIS A 13 8.765 10.960 -3.542 1.00 0.00 C ATOM 220 C HIS A 13 9.784 10.123 -4.338 1.00 0.00 C ATOM 221 O HIS A 13 9.616 8.908 -4.425 1.00 0.00 O ATOM 222 CB HIS A 13 9.456 11.805 -2.459 1.00 0.00 C ATOM 223 CG HIS A 13 8.837 13.154 -2.257 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.510 14.161 -1.610 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.617 13.609 -2.631 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.690 15.198 -1.605 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.533 14.910 -2.212 1.00 0.00 N ATOM 0 H HIS A 13 8.165 9.367 -2.317 1.00 0.00 H new ATOM 0 HA HIS A 13 8.272 11.640 -4.236 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.432 11.260 -1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.505 11.933 -2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.856 13.052 -3.158 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.924 16.157 -1.166 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.740 15.539 -2.338 1.00 0.00 H new ATOM 235 N PRO A 14 10.831 10.729 -4.962 1.00 0.00 N ATOM 236 CA PRO A 14 11.849 9.959 -5.698 1.00 0.00 C ATOM 237 C PRO A 14 12.461 8.835 -4.858 1.00 0.00 C ATOM 238 O PRO A 14 12.814 9.036 -3.695 1.00 0.00 O ATOM 239 CB PRO A 14 12.930 10.993 -6.056 1.00 0.00 C ATOM 240 CG PRO A 14 12.582 12.243 -5.291 1.00 0.00 C ATOM 241 CD PRO A 14 11.096 12.178 -5.045 1.00 0.00 C ATOM 0 HA PRO A 14 11.410 9.468 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.921 10.632 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.946 11.184 -7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.132 12.291 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.845 13.135 -5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.817 12.692 -4.125 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.533 12.645 -5.853 1.00 0.00 H new ATOM 249 N ALA A 15 12.579 7.656 -5.458 1.00 0.00 N ATOM 250 CA ALA A 15 13.132 6.492 -4.777 1.00 0.00 C ATOM 251 C ALA A 15 14.656 6.525 -4.811 1.00 0.00 C ATOM 252 O ALA A 15 15.265 6.401 -5.878 1.00 0.00 O ATOM 253 CB ALA A 15 12.622 5.208 -5.421 1.00 0.00 C ATOM 0 H ALA A 15 12.297 7.481 -6.422 1.00 0.00 H new ATOM 0 HA ALA A 15 12.806 6.517 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.044 4.348 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.535 5.175 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.922 5.182 -6.468 1.00 0.00 H new ATOM 259 N GLU A 16 15.274 6.697 -3.654 1.00 0.00 N ATOM 260 CA GLU A 16 16.720 6.756 -3.577 1.00 0.00 C ATOM 261 C GLU A 16 17.264 5.596 -2.743 1.00 0.00 C ATOM 262 O GLU A 16 16.846 5.388 -1.605 1.00 0.00 O ATOM 263 CB GLU A 16 17.157 8.086 -2.969 1.00 0.00 C ATOM 264 CG GLU A 16 18.615 8.409 -3.239 1.00 0.00 C ATOM 265 CD GLU A 16 18.848 8.824 -4.674 1.00 0.00 C ATOM 266 OE1 GLU A 16 18.970 10.039 -4.930 1.00 0.00 O ATOM 267 OE2 GLU A 16 18.893 7.943 -5.555 1.00 0.00 O ATOM 0 H GLU A 16 14.796 6.798 -2.758 1.00 0.00 H new ATOM 0 HA GLU A 16 17.123 6.675 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.533 8.885 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.989 8.060 -1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.938 9.209 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.228 7.537 -3.010 1.00 0.00 H new ATOM 274 N ASN A 17 18.185 4.843 -3.323 1.00 0.00 N ATOM 275 CA ASN A 17 18.817 3.720 -2.630 1.00 0.00 C ATOM 276 C ASN A 17 19.927 4.217 -1.714 1.00 0.00 C ATOM 277 O ASN A 17 20.812 4.963 -2.132 1.00 0.00 O ATOM 278 CB ASN A 17 19.339 2.684 -3.648 1.00 0.00 C ATOM 279 CG ASN A 17 20.485 1.811 -3.141 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.592 1.502 -1.956 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.346 1.387 -4.056 1.00 0.00 N ATOM 0 H ASN A 17 18.516 4.986 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 17 18.072 3.225 -2.007 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.512 2.038 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.670 3.210 -4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.125 0.787 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.230 1.661 -5.032 1.00 0.00 H new ATOM 288 N GLY A 18 19.856 3.800 -0.458 1.00 0.00 N ATOM 289 CA GLY A 18 20.795 4.257 0.541 1.00 0.00 C ATOM 290 C GLY A 18 20.343 5.572 1.120 1.00 0.00 C ATOM 291 O GLY A 18 21.140 6.351 1.643 1.00 0.00 O ATOM 0 H GLY A 18 19.155 3.145 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.884 3.514 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.784 4.368 0.097 1.00 0.00 H new ATOM 295 N LYS A 19 19.048 5.807 1.023 1.00 0.00 N ATOM 296 CA LYS A 19 18.461 7.067 1.419 1.00 0.00 C ATOM 297 C LYS A 19 17.064 6.831 1.955 1.00 0.00 C ATOM 298 O LYS A 19 16.386 5.889 1.544 1.00 0.00 O ATOM 299 CB LYS A 19 18.404 7.978 0.201 1.00 0.00 C ATOM 300 CG LYS A 19 18.138 9.442 0.515 1.00 0.00 C ATOM 301 CD LYS A 19 19.345 10.117 1.151 1.00 0.00 C ATOM 302 CE LYS A 19 19.063 11.581 1.472 1.00 0.00 C ATOM 303 NZ LYS A 19 18.726 12.368 0.254 1.00 0.00 N ATOM 0 H LYS A 19 18.376 5.128 0.667 1.00 0.00 H new ATOM 0 HA LYS A 19 19.062 7.532 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.349 7.902 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.625 7.617 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.871 9.967 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.283 9.519 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.619 9.589 2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.198 10.049 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.239 11.643 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.935 12.020 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.742 13.383 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.423 12.169 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.777 12.103 -0.079 1.00 0.00 H new ATOM 317 N SER A 20 16.647 7.669 2.883 1.00 0.00 N ATOM 318 CA SER A 20 15.319 7.576 3.433 1.00 0.00 C ATOM 319 C SER A 20 14.288 7.978 2.389 1.00 0.00 C ATOM 320 O SER A 20 14.455 8.969 1.675 1.00 0.00 O ATOM 321 CB SER A 20 15.211 8.470 4.655 1.00 0.00 C ATOM 322 OG SER A 20 16.116 8.063 5.668 1.00 0.00 O ATOM 0 H SER A 20 17.215 8.423 3.270 1.00 0.00 H new ATOM 0 HA SER A 20 15.125 6.545 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.417 9.503 4.373 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.192 8.442 5.041 1.00 0.00 H new ATOM 0 HG SER A 20 16.028 8.656 6.443 1.00 0.00 H new ATOM 328 N ASN A 21 13.228 7.205 2.313 1.00 0.00 N ATOM 329 CA ASN A 21 12.203 7.387 1.303 1.00 0.00 C ATOM 330 C ASN A 21 10.843 7.182 1.965 1.00 0.00 C ATOM 331 O ASN A 21 10.780 6.715 3.106 1.00 0.00 O ATOM 332 CB ASN A 21 12.427 6.362 0.171 1.00 0.00 C ATOM 333 CG ASN A 21 11.735 6.718 -1.135 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.385 5.830 -1.909 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.536 8.004 -1.401 1.00 0.00 N ATOM 0 H ASN A 21 13.050 6.429 2.951 1.00 0.00 H new ATOM 0 HA ASN A 21 12.245 8.388 0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.497 6.267 -0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.072 5.386 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.080 8.280 -2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.839 8.715 -0.736 1.00 0.00 H new ATOM 342 N PHE A 22 9.764 7.536 1.280 1.00 0.00 N ATOM 343 CA PHE A 22 8.429 7.383 1.847 1.00 0.00 C ATOM 344 C PHE A 22 7.572 6.511 0.933 1.00 0.00 C ATOM 345 O PHE A 22 7.404 6.817 -0.249 1.00 0.00 O ATOM 346 CB PHE A 22 7.756 8.750 2.044 1.00 0.00 C ATOM 347 CG PHE A 22 8.382 9.633 3.094 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.633 10.074 4.173 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.705 10.036 2.996 1.00 0.00 C ATOM 350 CE1 PHE A 22 8.192 10.894 5.135 1.00 0.00 C ATOM 351 CE2 PHE A 22 10.269 10.852 3.955 1.00 0.00 C ATOM 352 CZ PHE A 22 9.512 11.282 5.026 1.00 0.00 C ATOM 0 H PHE A 22 9.785 7.928 0.339 1.00 0.00 H new ATOM 0 HA PHE A 22 8.524 6.903 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.767 9.282 1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.711 8.587 2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.600 9.773 4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.302 9.707 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.597 11.231 5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.302 11.154 3.868 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.952 11.921 5.777 1.00 0.00 H new ATOM 362 N LEU A 23 7.039 5.423 1.477 1.00 0.00 N ATOM 363 CA LEU A 23 6.225 4.499 0.697 1.00 0.00 C ATOM 364 C LEU A 23 4.794 4.978 0.681 1.00 0.00 C ATOM 365 O LEU A 23 4.371 5.718 1.565 1.00 0.00 O ATOM 366 CB LEU A 23 6.271 3.099 1.305 1.00 0.00 C ATOM 367 CG LEU A 23 6.581 1.932 0.345 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.482 0.607 1.089 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.648 1.918 -0.861 1.00 0.00 C ATOM 0 H LEU A 23 7.156 5.159 2.455 1.00 0.00 H new ATOM 0 HA LEU A 23 6.621 4.461 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.022 3.097 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.309 2.903 1.778 1.00 0.00 H new ATOM 0 HG LEU A 23 7.596 2.074 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.702 -0.212 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.199 0.596 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.474 0.487 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.903 1.080 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.617 1.814 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.755 2.851 -1.415 1.00 0.00 H new ATOM 381 N ASN A 24 4.062 4.566 -0.325 1.00 0.00 N ATOM 382 CA ASN A 24 2.659 4.902 -0.423 1.00 0.00 C ATOM 383 C ASN A 24 1.872 3.734 -1.011 1.00 0.00 C ATOM 384 O ASN A 24 2.197 3.228 -2.087 1.00 0.00 O ATOM 385 CB ASN A 24 2.490 6.179 -1.258 1.00 0.00 C ATOM 386 CG ASN A 24 1.048 6.510 -1.564 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.143 6.142 -0.825 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.831 7.229 -2.652 1.00 0.00 N ATOM 0 H ASN A 24 4.415 3.994 -1.092 1.00 0.00 H new ATOM 0 HA ASN A 24 2.261 5.094 0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.942 7.015 -0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.036 6.066 -2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.120 7.499 -2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.615 7.514 -3.239 1.00 0.00 H new ATOM 395 N CYS A 25 0.846 3.306 -0.292 1.00 0.00 N ATOM 396 CA CYS A 25 0.023 2.188 -0.716 1.00 0.00 C ATOM 397 C CYS A 25 -1.444 2.604 -0.675 1.00 0.00 C ATOM 398 O CYS A 25 -1.965 2.989 0.377 1.00 0.00 O ATOM 399 CB CYS A 25 0.279 0.978 0.185 1.00 0.00 C ATOM 400 SG CYS A 25 -0.118 -0.627 -0.582 1.00 0.00 S ATOM 0 H CYS A 25 0.563 3.722 0.596 1.00 0.00 H new ATOM 0 HA CYS A 25 0.279 1.904 -1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.328 0.976 0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.309 1.087 1.096 1.00 0.00 H new ATOM 405 N TYR A 26 -2.098 2.530 -1.824 1.00 0.00 N ATOM 406 CA TYR A 26 -3.463 3.010 -1.976 1.00 0.00 C ATOM 407 C TYR A 26 -4.379 1.859 -2.352 1.00 0.00 C ATOM 408 O TYR A 26 -4.318 1.344 -3.469 1.00 0.00 O ATOM 409 CB TYR A 26 -3.547 4.094 -3.060 1.00 0.00 C ATOM 410 CG TYR A 26 -3.508 5.533 -2.565 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.658 6.167 -2.102 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.336 6.276 -2.612 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.638 7.488 -1.701 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.309 7.597 -2.202 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.462 8.198 -1.751 1.00 0.00 C ATOM 416 OH TYR A 26 -3.442 9.517 -1.354 1.00 0.00 O ATOM 0 H TYR A 26 -1.698 2.136 -2.676 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.777 3.438 -1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.722 3.948 -3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.470 3.948 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.585 5.614 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.430 5.815 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.543 7.962 -1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.385 8.155 -2.236 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.534 9.874 -1.450 1.00 0.00 H new ATOM 426 N VAL A 27 -5.208 1.439 -1.416 1.00 0.00 N ATOM 427 CA VAL A 27 -6.184 0.402 -1.691 1.00 0.00 C ATOM 428 C VAL A 27 -7.581 0.984 -1.536 1.00 0.00 C ATOM 429 O VAL A 27 -8.053 1.185 -0.420 1.00 0.00 O ATOM 430 CB VAL A 27 -6.029 -0.806 -0.748 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.604 -2.046 -1.396 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.575 -1.036 -0.365 1.00 0.00 C ATOM 0 H VAL A 27 -5.226 1.798 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.021 0.049 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.580 -0.589 0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.490 -2.895 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.662 -1.889 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.075 -2.248 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.506 -1.896 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.987 -1.224 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.188 -0.152 0.143 1.00 0.00 H new ATOM 442 N SER A 28 -8.221 1.300 -2.651 1.00 0.00 N ATOM 443 CA SER A 28 -9.508 1.979 -2.608 1.00 0.00 C ATOM 444 C SER A 28 -10.488 1.430 -3.642 1.00 0.00 C ATOM 445 O SER A 28 -10.168 0.505 -4.390 1.00 0.00 O ATOM 446 CB SER A 28 -9.297 3.472 -2.837 1.00 0.00 C ATOM 447 OG SER A 28 -8.302 3.981 -1.962 1.00 0.00 O ATOM 0 H SER A 28 -7.875 1.100 -3.589 1.00 0.00 H new ATOM 0 HA SER A 28 -9.945 1.804 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.002 3.648 -3.872 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.234 4.005 -2.678 1.00 0.00 H new ATOM 0 HG SER A 28 -8.249 4.955 -2.059 1.00 0.00 H new ATOM 453 N GLY A 29 -11.689 2.008 -3.659 1.00 0.00 N ATOM 454 CA GLY A 29 -12.702 1.623 -4.620 1.00 0.00 C ATOM 455 C GLY A 29 -13.581 0.504 -4.110 1.00 0.00 C ATOM 456 O GLY A 29 -14.118 -0.269 -4.888 1.00 0.00 O ATOM 0 H GLY A 29 -11.977 2.744 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.321 2.488 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.220 1.310 -5.547 1.00 0.00 H new ATOM 460 N PHE A 30 -13.732 0.421 -2.800 1.00 0.00 N ATOM 461 CA PHE A 30 -14.441 -0.694 -2.185 1.00 0.00 C ATOM 462 C PHE A 30 -15.472 -0.223 -1.155 1.00 0.00 C ATOM 463 O PHE A 30 -15.653 0.977 -0.941 1.00 0.00 O ATOM 464 CB PHE A 30 -13.426 -1.606 -1.491 1.00 0.00 C ATOM 465 CG PHE A 30 -12.707 -0.913 -0.364 1.00 0.00 C ATOM 466 CD1 PHE A 30 -13.234 -0.912 0.916 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.516 -0.243 -0.593 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.592 -0.255 1.942 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.868 0.414 0.434 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.409 0.409 1.703 1.00 0.00 C ATOM 0 H PHE A 30 -13.374 1.111 -2.139 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.974 -1.227 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.938 -2.487 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.697 -1.956 -2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.160 -1.433 1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.090 -0.235 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -13.016 -0.260 2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.939 0.931 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.906 0.925 2.508 1.00 0.00 H new ATOM 480 N HIS A 31 -16.118 -1.197 -0.513 1.00 0.00 N ATOM 481 CA HIS A 31 -17.036 -0.956 0.616 1.00 0.00 C ATOM 482 C HIS A 31 -16.883 -2.118 1.606 1.00 0.00 C ATOM 483 O HIS A 31 -16.290 -3.132 1.247 1.00 0.00 O ATOM 484 CB HIS A 31 -18.517 -0.805 0.173 1.00 0.00 C ATOM 485 CG HIS A 31 -18.768 0.343 -0.760 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.042 0.143 -2.092 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.788 1.674 -0.500 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.222 1.349 -2.607 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.079 2.306 -1.680 1.00 0.00 N ATOM 0 H HIS A 31 -16.023 -2.183 -0.758 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.770 -0.008 1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.835 -1.728 -0.312 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.138 -0.680 1.060 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.609 2.146 0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.455 1.538 -3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.169 3.312 -1.825 1.00 0.00 H new ATOM 497 N PRO A 32 -17.385 -2.024 2.864 1.00 0.00 N ATOM 498 CA PRO A 32 -18.137 -0.874 3.388 1.00 0.00 C ATOM 499 C PRO A 32 -17.323 0.414 3.405 1.00 0.00 C ATOM 500 O PRO A 32 -17.595 1.325 2.623 1.00 0.00 O ATOM 501 CB PRO A 32 -18.506 -1.285 4.816 1.00 0.00 C ATOM 502 CG PRO A 32 -18.349 -2.764 4.850 1.00 0.00 C ATOM 503 CD PRO A 32 -17.246 -3.077 3.881 1.00 0.00 C ATOM 0 HA PRO A 32 -18.999 -0.654 2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.855 -0.803 5.545 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.527 -0.992 5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.098 -3.108 5.853 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.275 -3.263 4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.268 -3.047 4.361 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.359 -4.071 3.449 1.00 0.00 H new ATOM 511 N SER A 33 -16.332 0.513 4.286 1.00 0.00 N ATOM 512 CA SER A 33 -15.479 1.680 4.334 1.00 0.00 C ATOM 513 C SER A 33 -14.113 1.267 4.872 1.00 0.00 C ATOM 514 O SER A 33 -13.275 2.108 5.200 1.00 0.00 O ATOM 515 CB SER A 33 -16.110 2.745 5.243 1.00 0.00 C ATOM 516 OG SER A 33 -16.415 2.226 6.532 1.00 0.00 O ATOM 0 H SER A 33 -16.105 -0.205 4.974 1.00 0.00 H new ATOM 0 HA SER A 33 -15.364 2.101 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.427 3.588 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.020 3.125 4.780 1.00 0.00 H new ATOM 0 HG SER A 33 -16.038 1.326 6.620 1.00 0.00 H new ATOM 522 N ASP A 34 -13.893 -0.049 4.949 1.00 0.00 N ATOM 523 CA ASP A 34 -12.756 -0.602 5.678 1.00 0.00 C ATOM 524 C ASP A 34 -12.075 -1.721 4.891 1.00 0.00 C ATOM 525 O ASP A 34 -12.744 -2.567 4.292 1.00 0.00 O ATOM 526 CB ASP A 34 -13.213 -1.177 7.027 1.00 0.00 C ATOM 527 CG ASP A 34 -13.962 -0.184 7.890 1.00 0.00 C ATOM 528 OD1 ASP A 34 -15.112 0.166 7.537 1.00 0.00 O ATOM 529 OD2 ASP A 34 -13.432 0.218 8.945 1.00 0.00 O ATOM 0 H ASP A 34 -14.492 -0.750 4.513 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.049 0.213 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.852 -2.041 6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.340 -1.534 7.574 1.00 0.00 H new ATOM 534 N ILE A 35 -10.750 -1.695 4.882 1.00 0.00 N ATOM 535 CA ILE A 35 -9.935 -2.794 4.366 1.00 0.00 C ATOM 536 C ILE A 35 -8.624 -2.823 5.134 1.00 0.00 C ATOM 537 O ILE A 35 -8.207 -1.797 5.678 1.00 0.00 O ATOM 538 CB ILE A 35 -9.609 -2.643 2.856 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.115 -3.974 2.279 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.548 -1.573 2.643 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.208 -3.832 1.067 1.00 0.00 C ATOM 0 H ILE A 35 -10.204 -0.908 5.233 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.506 -3.714 4.493 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.523 -2.346 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.579 -4.518 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.978 -4.580 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.332 -1.481 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.912 -0.619 3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.638 -1.852 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.904 -4.820 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.745 -3.318 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.324 -3.255 1.340 1.00 0.00 H new ATOM 553 N GLU A 36 -7.978 -3.974 5.206 1.00 0.00 N ATOM 554 CA GLU A 36 -6.649 -4.018 5.759 1.00 0.00 C ATOM 555 C GLU A 36 -5.653 -4.165 4.652 1.00 0.00 C ATOM 556 O GLU A 36 -5.892 -4.852 3.655 1.00 0.00 O ATOM 557 CB GLU A 36 -6.412 -5.167 6.723 1.00 0.00 C ATOM 558 CG GLU A 36 -7.143 -5.085 8.032 1.00 0.00 C ATOM 559 CD GLU A 36 -8.653 -5.097 7.903 1.00 0.00 C ATOM 560 OE1 GLU A 36 -9.303 -4.195 8.476 1.00 0.00 O ATOM 561 OE2 GLU A 36 -9.188 -6.013 7.244 1.00 0.00 O ATOM 0 H GLU A 36 -8.349 -4.871 4.893 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.535 -3.086 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.696 -6.096 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.343 -5.229 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.837 -5.922 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.841 -4.173 8.547 1.00 0.00 H new ATOM 568 N VAL A 37 -4.527 -3.547 4.855 1.00 0.00 N ATOM 569 CA VAL A 37 -3.426 -3.654 3.924 1.00 0.00 C ATOM 570 C VAL A 37 -2.114 -3.490 4.673 1.00 0.00 C ATOM 571 O VAL A 37 -1.928 -2.545 5.438 1.00 0.00 O ATOM 572 CB VAL A 37 -3.547 -2.669 2.718 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.585 -1.607 2.998 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.209 -2.032 2.336 1.00 0.00 C ATOM 0 H VAL A 37 -4.339 -2.955 5.664 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.456 -4.648 3.478 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.868 -3.261 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.653 -0.931 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.553 -2.079 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.298 -1.043 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.355 -1.357 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.817 -1.472 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.501 -2.812 2.058 1.00 0.00 H new ATOM 584 N ASP A 38 -1.238 -4.447 4.470 1.00 0.00 N ATOM 585 CA ASP A 38 0.009 -4.525 5.204 1.00 0.00 C ATOM 586 C ASP A 38 1.176 -4.481 4.235 1.00 0.00 C ATOM 587 O ASP A 38 1.104 -5.028 3.137 1.00 0.00 O ATOM 588 CB ASP A 38 0.023 -5.797 6.073 1.00 0.00 C ATOM 589 CG ASP A 38 1.272 -6.636 5.915 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.331 -6.223 6.415 1.00 0.00 O ATOM 591 OD2 ASP A 38 1.178 -7.728 5.314 1.00 0.00 O ATOM 0 H ASP A 38 -1.368 -5.196 3.790 1.00 0.00 H new ATOM 0 HA ASP A 38 0.104 -3.670 5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.080 -5.511 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.846 -6.406 5.822 1.00 0.00 H new ATOM 596 N LEU A 39 2.233 -3.798 4.627 1.00 0.00 N ATOM 597 CA LEU A 39 3.378 -3.614 3.756 1.00 0.00 C ATOM 598 C LEU A 39 4.432 -4.665 4.058 1.00 0.00 C ATOM 599 O LEU A 39 4.663 -5.018 5.209 1.00 0.00 O ATOM 600 CB LEU A 39 3.967 -2.212 3.912 1.00 0.00 C ATOM 601 CG LEU A 39 2.961 -1.057 3.876 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.678 0.269 4.053 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.164 -1.052 2.583 1.00 0.00 C ATOM 0 H LEU A 39 2.323 -3.361 5.544 1.00 0.00 H new ATOM 0 HA LEU A 39 3.046 -3.727 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.507 -2.169 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.699 -2.056 3.120 1.00 0.00 H new ATOM 0 HG LEU A 39 2.261 -1.200 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.952 1.082 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.196 0.277 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.402 0.402 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.461 -0.219 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.843 -0.944 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.616 -1.989 2.490 1.00 0.00 H new ATOM 615 N LEU A 40 5.062 -5.157 3.013 1.00 0.00 N ATOM 616 CA LEU A 40 5.986 -6.269 3.118 1.00 0.00 C ATOM 617 C LEU A 40 7.404 -5.893 2.703 1.00 0.00 C ATOM 618 O LEU A 40 7.691 -4.762 2.326 1.00 0.00 O ATOM 619 CB LEU A 40 5.537 -7.435 2.253 1.00 0.00 C ATOM 620 CG LEU A 40 4.036 -7.696 2.197 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.739 -8.746 1.141 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.534 -8.149 3.553 1.00 0.00 C ATOM 0 H LEU A 40 4.949 -4.798 2.065 1.00 0.00 H new ATOM 0 HA LEU A 40 5.989 -6.553 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.893 -7.264 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.028 -8.338 2.615 1.00 0.00 H new ATOM 0 HG LEU A 40 3.520 -6.773 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.665 -8.931 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.081 -8.391 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.258 -9.671 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.461 -8.332 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.045 -9.067 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.734 -7.374 4.293 1.00 0.00 H new ATOM 634 N LYS A 41 8.259 -6.896 2.789 1.00 0.00 N ATOM 635 CA LYS A 41 9.657 -6.820 2.385 1.00 0.00 C ATOM 636 C LYS A 41 10.082 -8.178 1.854 1.00 0.00 C ATOM 637 O LYS A 41 10.346 -9.091 2.639 1.00 0.00 O ATOM 638 CB LYS A 41 10.565 -6.436 3.546 1.00 0.00 C ATOM 639 CG LYS A 41 10.454 -4.991 3.981 1.00 0.00 C ATOM 640 CD LYS A 41 11.026 -4.824 5.382 1.00 0.00 C ATOM 641 CE LYS A 41 10.968 -3.390 5.874 1.00 0.00 C ATOM 642 NZ LYS A 41 11.529 -3.262 7.245 1.00 0.00 N ATOM 0 H LYS A 41 7.996 -7.812 3.151 1.00 0.00 H new ATOM 0 HA LYS A 41 9.750 -6.050 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.335 -7.077 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.598 -6.639 3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.990 -4.350 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.410 -4.677 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.476 -5.463 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.062 -5.164 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.523 -2.747 5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.934 -3.044 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.474 -2.270 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.983 -3.857 7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.522 -3.570 7.244 1.00 0.00 H new ATOM 656 N ASN A 42 10.098 -8.321 0.527 1.00 0.00 N ATOM 657 CA ASN A 42 10.384 -9.603 -0.143 1.00 0.00 C ATOM 658 C ASN A 42 9.261 -10.613 0.104 1.00 0.00 C ATOM 659 O ASN A 42 9.169 -11.644 -0.563 1.00 0.00 O ATOM 660 CB ASN A 42 11.727 -10.201 0.323 1.00 0.00 C ATOM 661 CG ASN A 42 12.921 -9.312 0.025 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.483 -9.352 -1.068 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.340 -8.532 1.013 1.00 0.00 N ATOM 0 H ASN A 42 9.913 -7.553 -0.119 1.00 0.00 H new ATOM 0 HA ASN A 42 10.450 -9.396 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.681 -10.386 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.873 -11.167 -0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.157 -7.936 0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.845 -8.528 1.905 1.00 0.00 H new ATOM 670 N GLY A 43 8.412 -10.300 1.067 1.00 0.00 N ATOM 671 CA GLY A 43 7.333 -11.183 1.451 1.00 0.00 C ATOM 672 C GLY A 43 7.078 -11.131 2.947 1.00 0.00 C ATOM 673 O GLY A 43 6.081 -11.658 3.435 1.00 0.00 O ATOM 0 H GLY A 43 8.453 -9.431 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.425 -10.904 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.575 -12.204 1.157 1.00 0.00 H new ATOM 677 N GLU A 44 7.983 -10.477 3.669 1.00 0.00 N ATOM 678 CA GLU A 44 7.925 -10.412 5.125 1.00 0.00 C ATOM 679 C GLU A 44 7.196 -9.151 5.587 1.00 0.00 C ATOM 680 O GLU A 44 7.430 -8.069 5.062 1.00 0.00 O ATOM 681 CB GLU A 44 9.348 -10.427 5.669 1.00 0.00 C ATOM 682 CG GLU A 44 10.178 -11.580 5.148 1.00 0.00 C ATOM 683 CD GLU A 44 11.630 -11.482 5.560 1.00 0.00 C ATOM 684 OE1 GLU A 44 12.503 -11.409 4.667 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.907 -11.459 6.778 1.00 0.00 O ATOM 0 H GLU A 44 8.775 -9.979 3.262 1.00 0.00 H new ATOM 0 HA GLU A 44 7.371 -11.271 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.839 -9.489 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.313 -10.477 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.762 -12.518 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.114 -11.607 4.060 1.00 0.00 H new ATOM 692 N ARG A 45 6.323 -9.306 6.573 1.00 0.00 N ATOM 693 CA ARG A 45 5.476 -8.216 7.059 1.00 0.00 C ATOM 694 C ARG A 45 6.279 -7.098 7.738 1.00 0.00 C ATOM 695 O ARG A 45 7.294 -7.350 8.393 1.00 0.00 O ATOM 696 CB ARG A 45 4.448 -8.790 8.039 1.00 0.00 C ATOM 697 CG ARG A 45 3.457 -7.763 8.575 1.00 0.00 C ATOM 698 CD ARG A 45 2.322 -8.404 9.366 1.00 0.00 C ATOM 699 NE ARG A 45 1.598 -7.420 10.165 1.00 0.00 N ATOM 700 CZ ARG A 45 0.829 -7.739 11.202 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.694 -9.013 11.558 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.202 -6.787 11.885 1.00 0.00 N ATOM 0 H ARG A 45 6.179 -10.190 7.061 1.00 0.00 H new ATOM 0 HA ARG A 45 4.981 -7.767 6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.895 -9.588 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.976 -9.242 8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.984 -7.053 9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.040 -7.196 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.632 -8.894 8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.725 -9.178 10.019 1.00 0.00 H new ATOM 0 HE ARG A 45 1.687 -6.435 9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.180 -9.743 11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.105 -9.261 12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.310 -5.810 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.387 -7.034 12.680 1.00 0.00 H new ATOM 716 N ILE A 46 5.806 -5.864 7.569 1.00 0.00 N ATOM 717 CA ILE A 46 6.381 -4.697 8.227 1.00 0.00 C ATOM 718 C ILE A 46 5.454 -4.233 9.342 1.00 0.00 C ATOM 719 O ILE A 46 4.233 -4.244 9.191 1.00 0.00 O ATOM 720 CB ILE A 46 6.577 -3.530 7.239 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.450 -3.959 6.070 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.197 -2.326 7.940 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.448 -2.963 4.934 1.00 0.00 C ATOM 0 H ILE A 46 5.010 -5.647 6.969 1.00 0.00 H new ATOM 0 HA ILE A 46 7.353 -4.987 8.626 1.00 0.00 H new ATOM 0 HB ILE A 46 5.597 -3.243 6.858 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.473 -4.100 6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.104 -4.924 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.326 -1.515 7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.542 -1.997 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.167 -2.604 8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.089 -3.326 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.432 -2.840 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.822 -2.003 5.291 1.00 0.00 H new ATOM 735 N GLU A 47 6.029 -3.825 10.457 1.00 0.00 N ATOM 736 CA GLU A 47 5.244 -3.441 11.623 1.00 0.00 C ATOM 737 C GLU A 47 5.126 -1.916 11.795 1.00 0.00 C ATOM 738 O GLU A 47 4.053 -1.427 12.141 1.00 0.00 O ATOM 739 CB GLU A 47 5.802 -4.096 12.905 1.00 0.00 C ATOM 740 CG GLU A 47 7.315 -4.303 12.934 1.00 0.00 C ATOM 741 CD GLU A 47 7.808 -5.412 12.024 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.430 -5.092 10.987 1.00 0.00 O ATOM 743 OE2 GLU A 47 7.587 -6.596 12.344 1.00 0.00 O ATOM 0 H GLU A 47 7.038 -3.750 10.584 1.00 0.00 H new ATOM 0 HA GLU A 47 4.234 -3.813 11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.521 -3.479 13.759 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.318 -5.064 13.038 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.804 -3.371 12.650 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.621 -4.524 13.957 1.00 0.00 H new ATOM 750 N LYS A 48 6.214 -1.164 11.573 1.00 0.00 N ATOM 751 CA LYS A 48 6.192 0.297 11.691 1.00 0.00 C ATOM 752 C LYS A 48 5.290 0.997 10.668 1.00 0.00 C ATOM 753 O LYS A 48 5.266 2.227 10.603 1.00 0.00 O ATOM 754 CB LYS A 48 7.608 0.827 11.571 1.00 0.00 C ATOM 755 CG LYS A 48 8.506 0.231 12.626 1.00 0.00 C ATOM 756 CD LYS A 48 9.922 0.783 12.595 1.00 0.00 C ATOM 757 CE LYS A 48 10.743 0.205 11.450 1.00 0.00 C ATOM 758 NZ LYS A 48 10.315 0.717 10.121 1.00 0.00 N ATOM 0 H LYS A 48 7.122 -1.547 11.310 1.00 0.00 H new ATOM 0 HA LYS A 48 5.766 0.522 12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.003 0.596 10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.602 1.913 11.666 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.073 0.417 13.609 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.542 -0.850 12.493 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.884 1.868 12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.416 0.562 13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.795 0.445 11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.659 -0.882 11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.153 0.896 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.709 0.011 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.783 1.602 10.245 1.00 0.00 H new ATOM 772 N VAL A 49 4.579 0.227 9.861 1.00 0.00 N ATOM 773 CA VAL A 49 3.597 0.787 8.941 1.00 0.00 C ATOM 774 C VAL A 49 2.502 1.528 9.698 1.00 0.00 C ATOM 775 O VAL A 49 2.009 1.048 10.723 1.00 0.00 O ATOM 776 CB VAL A 49 2.941 -0.310 8.088 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.911 0.289 7.138 1.00 0.00 C ATOM 778 CG2 VAL A 49 4.001 -1.081 7.326 1.00 0.00 C ATOM 0 H VAL A 49 4.662 -0.789 9.823 1.00 0.00 H new ATOM 0 HA VAL A 49 4.132 1.480 8.292 1.00 0.00 H new ATOM 0 HB VAL A 49 2.420 -1.003 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.459 -0.505 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.137 0.797 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.399 1.004 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.526 -1.856 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.548 -0.400 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.693 -1.542 8.031 1.00 0.00 H new ATOM 788 N GLU A 50 2.127 2.692 9.193 1.00 0.00 N ATOM 789 CA GLU A 50 1.049 3.459 9.784 1.00 0.00 C ATOM 790 C GLU A 50 0.069 3.930 8.720 1.00 0.00 C ATOM 791 O GLU A 50 0.441 4.203 7.576 1.00 0.00 O ATOM 792 CB GLU A 50 1.589 4.667 10.554 1.00 0.00 C ATOM 793 CG GLU A 50 2.461 4.299 11.740 1.00 0.00 C ATOM 794 CD GLU A 50 2.981 5.509 12.486 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.136 5.467 12.952 1.00 0.00 O ATOM 796 OE2 GLU A 50 2.242 6.510 12.607 1.00 0.00 O ATOM 0 H GLU A 50 2.555 3.124 8.374 1.00 0.00 H new ATOM 0 HA GLU A 50 0.527 2.803 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.165 5.293 9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.749 5.267 10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.889 3.674 12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.304 3.702 11.393 1.00 0.00 H new ATOM 803 N HIS A 51 -1.184 4.005 9.114 1.00 0.00 N ATOM 804 CA HIS A 51 -2.222 4.568 8.269 1.00 0.00 C ATOM 805 C HIS A 51 -2.647 5.929 8.810 1.00 0.00 C ATOM 806 O HIS A 51 -2.931 6.080 10.002 1.00 0.00 O ATOM 807 CB HIS A 51 -3.424 3.620 8.133 1.00 0.00 C ATOM 808 CG HIS A 51 -4.009 3.117 9.425 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.247 3.529 9.849 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.525 2.203 10.306 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.492 2.862 10.960 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.478 2.045 11.279 1.00 0.00 N ATOM 0 H HIS A 51 -1.513 3.680 10.023 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.813 4.700 7.267 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.208 4.134 7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.120 2.761 7.535 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.572 1.698 10.251 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.397 2.962 11.541 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.426 1.426 12.088 1.00 0.00 H new ATOM 820 N SER A 52 -2.634 6.927 7.934 1.00 0.00 N ATOM 821 CA SER A 52 -3.000 8.289 8.304 1.00 0.00 C ATOM 822 C SER A 52 -4.522 8.443 8.322 1.00 0.00 C ATOM 823 O SER A 52 -5.250 7.450 8.381 1.00 0.00 O ATOM 824 CB SER A 52 -2.363 9.288 7.324 1.00 0.00 C ATOM 825 OG SER A 52 -2.506 10.629 7.771 1.00 0.00 O ATOM 0 H SER A 52 -2.372 6.817 6.955 1.00 0.00 H new ATOM 0 HA SER A 52 -2.625 8.498 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.305 9.056 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.826 9.180 6.343 1.00 0.00 H new ATOM 0 HG SER A 52 -2.088 11.236 7.125 1.00 0.00 H new ATOM 831 N ASP A 53 -4.992 9.684 8.295 1.00 0.00 N ATOM 832 CA ASP A 53 -6.422 9.973 8.314 1.00 0.00 C ATOM 833 C ASP A 53 -7.137 9.234 7.187 1.00 0.00 C ATOM 834 O ASP A 53 -6.691 9.271 6.038 1.00 0.00 O ATOM 835 CB ASP A 53 -6.664 11.479 8.201 1.00 0.00 C ATOM 836 CG ASP A 53 -8.129 11.848 8.324 1.00 0.00 C ATOM 837 OD1 ASP A 53 -8.671 12.468 7.389 1.00 0.00 O ATOM 838 OD2 ASP A 53 -8.741 11.534 9.369 1.00 0.00 O ATOM 0 H ASP A 53 -4.399 10.513 8.260 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.828 9.625 9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.098 11.993 8.978 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.284 11.833 7.243 1.00 0.00 H new ATOM 843 N LEU A 54 -8.222 8.548 7.551 1.00 0.00 N ATOM 844 CA LEU A 54 -8.958 7.663 6.644 1.00 0.00 C ATOM 845 C LEU A 54 -9.181 8.314 5.278 1.00 0.00 C ATOM 846 O LEU A 54 -8.461 8.024 4.321 1.00 0.00 O ATOM 847 CB LEU A 54 -10.306 7.265 7.288 1.00 0.00 C ATOM 848 CG LEU A 54 -10.998 5.999 6.744 1.00 0.00 C ATOM 849 CD1 LEU A 54 -11.570 6.216 5.353 1.00 0.00 C ATOM 850 CD2 LEU A 54 -10.039 4.821 6.744 1.00 0.00 C ATOM 0 H LEU A 54 -8.618 8.591 8.490 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.360 6.767 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.143 7.128 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.995 8.102 7.175 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.831 5.776 7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.048 5.299 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.306 7.019 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.767 6.486 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.547 3.938 6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.180 5.051 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.701 4.627 7.762 1.00 0.00 H new ATOM 862 N SER A 55 -10.160 9.207 5.205 1.00 0.00 N ATOM 863 CA SER A 55 -10.549 9.828 3.949 1.00 0.00 C ATOM 864 C SER A 55 -11.738 10.745 4.190 1.00 0.00 C ATOM 865 O SER A 55 -12.152 10.950 5.334 1.00 0.00 O ATOM 866 CB SER A 55 -10.923 8.751 2.917 1.00 0.00 C ATOM 867 OG SER A 55 -11.174 9.304 1.634 1.00 0.00 O ATOM 0 H SER A 55 -10.703 9.519 6.010 1.00 0.00 H new ATOM 0 HA SER A 55 -9.712 10.408 3.561 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.115 8.022 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.808 8.214 3.259 1.00 0.00 H new ATOM 0 HG SER A 55 -10.479 9.010 1.009 1.00 0.00 H new ATOM 873 N PHE A 56 -12.268 11.303 3.117 1.00 0.00 N ATOM 874 CA PHE A 56 -13.479 12.096 3.173 1.00 0.00 C ATOM 875 C PHE A 56 -14.256 11.898 1.878 1.00 0.00 C ATOM 876 O PHE A 56 -13.677 11.918 0.791 1.00 0.00 O ATOM 877 CB PHE A 56 -13.153 13.584 3.396 1.00 0.00 C ATOM 878 CG PHE A 56 -12.375 14.231 2.279 1.00 0.00 C ATOM 879 CD1 PHE A 56 -11.004 14.051 2.169 1.00 0.00 C ATOM 880 CD2 PHE A 56 -13.018 15.027 1.343 1.00 0.00 C ATOM 881 CE1 PHE A 56 -10.293 14.649 1.147 1.00 0.00 C ATOM 882 CE2 PHE A 56 -12.312 15.626 0.319 1.00 0.00 C ATOM 883 CZ PHE A 56 -10.948 15.436 0.221 1.00 0.00 C ATOM 0 H PHE A 56 -11.869 11.218 2.182 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.088 11.769 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.086 14.130 3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.585 13.683 4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.487 13.436 2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -14.085 15.180 1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.226 14.501 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -12.826 16.242 -0.404 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.394 15.903 -0.580 1.00 0.00 H new ATOM 893 N SER A 57 -15.548 11.648 2.000 1.00 0.00 N ATOM 894 CA SER A 57 -16.405 11.508 0.836 1.00 0.00 C ATOM 895 C SER A 57 -16.533 12.846 0.110 1.00 0.00 C ATOM 896 O SER A 57 -16.608 13.901 0.747 1.00 0.00 O ATOM 897 CB SER A 57 -17.774 10.972 1.261 1.00 0.00 C ATOM 898 OG SER A 57 -18.176 11.519 2.509 1.00 0.00 O ATOM 0 H SER A 57 -16.027 11.538 2.894 1.00 0.00 H new ATOM 0 HA SER A 57 -15.960 10.794 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.515 11.215 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.735 9.885 1.333 1.00 0.00 H new ATOM 0 HG SER A 57 -17.899 12.458 2.559 1.00 0.00 H new ATOM 904 N LYS A 58 -16.554 12.803 -1.215 1.00 0.00 N ATOM 905 CA LYS A 58 -16.570 14.026 -2.011 1.00 0.00 C ATOM 906 C LYS A 58 -17.365 13.833 -3.304 1.00 0.00 C ATOM 907 O LYS A 58 -18.439 14.410 -3.457 1.00 0.00 O ATOM 908 CB LYS A 58 -15.147 14.495 -2.325 1.00 0.00 C ATOM 909 CG LYS A 58 -15.065 15.980 -2.656 1.00 0.00 C ATOM 910 CD LYS A 58 -15.511 16.826 -1.469 1.00 0.00 C ATOM 911 CE LYS A 58 -15.554 18.316 -1.793 1.00 0.00 C ATOM 912 NZ LYS A 58 -16.439 18.611 -2.949 1.00 0.00 N ATOM 0 H LYS A 58 -16.560 11.941 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.063 14.797 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.505 14.284 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.759 13.920 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.042 16.240 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.692 16.199 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.500 16.500 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.832 16.659 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.904 18.867 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.546 18.669 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.629 19.633 -2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.973 18.310 -3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.336 18.097 -2.839 1.00 0.00 H new ATOM 926 N ASP A 59 -16.842 13.041 -4.243 1.00 0.00 N ATOM 927 CA ASP A 59 -17.565 12.737 -5.477 1.00 0.00 C ATOM 928 C ASP A 59 -17.448 11.248 -5.799 1.00 0.00 C ATOM 929 O ASP A 59 -18.400 10.617 -6.262 1.00 0.00 O ATOM 930 CB ASP A 59 -17.015 13.566 -6.644 1.00 0.00 C ATOM 931 CG ASP A 59 -17.771 13.329 -7.943 1.00 0.00 C ATOM 932 OD1 ASP A 59 -18.778 14.027 -8.184 1.00 0.00 O ATOM 933 OD2 ASP A 59 -17.355 12.459 -8.736 1.00 0.00 O ATOM 0 H ASP A 59 -15.925 12.601 -4.172 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.615 12.992 -5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.065 14.624 -6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.963 13.323 -6.792 1.00 0.00 H new ATOM 938 N TRP A 60 -16.268 10.690 -5.541 1.00 0.00 N ATOM 939 CA TRP A 60 -16.002 9.282 -5.816 1.00 0.00 C ATOM 940 C TRP A 60 -16.011 8.443 -4.545 1.00 0.00 C ATOM 941 O TRP A 60 -16.554 8.851 -3.519 1.00 0.00 O ATOM 942 CB TRP A 60 -14.658 9.119 -6.527 1.00 0.00 C ATOM 943 CG TRP A 60 -14.747 9.313 -8.004 1.00 0.00 C ATOM 944 CD1 TRP A 60 -14.641 10.485 -8.691 1.00 0.00 C ATOM 945 CD2 TRP A 60 -14.967 8.291 -8.980 1.00 0.00 C ATOM 946 NE1 TRP A 60 -14.782 10.253 -10.036 1.00 0.00 N ATOM 947 CE2 TRP A 60 -14.985 8.914 -10.238 1.00 0.00 C ATOM 948 CE3 TRP A 60 -15.150 6.907 -8.907 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -15.179 8.204 -11.418 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -15.345 6.198 -10.076 1.00 0.00 C ATOM 951 CH2 TRP A 60 -15.357 6.851 -11.324 1.00 0.00 C ATOM 0 H TRP A 60 -15.478 11.195 -5.140 1.00 0.00 H new ATOM 0 HA TRP A 60 -16.803 8.925 -6.463 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -13.947 9.835 -6.115 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -14.264 8.124 -6.321 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -14.471 11.453 -8.243 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -14.742 10.963 -10.767 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -15.139 6.401 -7.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -15.189 8.704 -12.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -15.490 5.129 -10.033 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -15.510 6.273 -12.223 1.00 0.00 H new ATOM 962 N SER A 61 -15.409 7.263 -4.634 1.00 0.00 N ATOM 963 CA SER A 61 -15.337 6.335 -3.515 1.00 0.00 C ATOM 964 C SER A 61 -14.400 6.857 -2.426 1.00 0.00 C ATOM 965 O SER A 61 -13.714 7.863 -2.607 1.00 0.00 O ATOM 966 CB SER A 61 -14.825 4.972 -4.037 1.00 0.00 C ATOM 967 OG SER A 61 -13.691 5.162 -4.867 1.00 0.00 O ATOM 0 H SER A 61 -14.958 6.924 -5.484 1.00 0.00 H new ATOM 0 HA SER A 61 -16.330 6.226 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.567 4.326 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.614 4.468 -4.596 1.00 0.00 H new ATOM 0 HG SER A 61 -13.741 4.554 -5.634 1.00 0.00 H new ATOM 973 N PHE A 62 -14.374 6.153 -1.304 1.00 0.00 N ATOM 974 CA PHE A 62 -13.504 6.509 -0.194 1.00 0.00 C ATOM 975 C PHE A 62 -12.119 5.917 -0.419 1.00 0.00 C ATOM 976 O PHE A 62 -11.955 4.984 -1.214 1.00 0.00 O ATOM 977 CB PHE A 62 -14.078 5.986 1.130 1.00 0.00 C ATOM 978 CG PHE A 62 -15.545 6.269 1.350 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.515 5.490 0.729 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.956 7.286 2.203 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.860 5.720 0.953 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.305 7.521 2.425 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.253 6.735 1.801 1.00 0.00 C ATOM 0 H PHE A 62 -14.949 5.327 -1.138 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.434 7.595 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.921 4.908 1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.512 6.425 1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.214 4.695 0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.218 7.900 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.602 5.106 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.613 8.318 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.303 6.915 1.977 1.00 0.00 H new ATOM 993 N TYR A 63 -11.131 6.458 0.279 1.00 0.00 N ATOM 994 CA TYR A 63 -9.749 6.032 0.113 1.00 0.00 C ATOM 995 C TYR A 63 -9.160 5.640 1.468 1.00 0.00 C ATOM 996 O TYR A 63 -9.591 6.145 2.499 1.00 0.00 O ATOM 997 CB TYR A 63 -8.918 7.174 -0.502 1.00 0.00 C ATOM 998 CG TYR A 63 -9.645 7.974 -1.572 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.916 9.323 -1.377 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.065 7.388 -2.764 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.583 10.065 -2.332 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.734 8.129 -3.727 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.989 9.465 -3.503 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.658 10.204 -4.454 1.00 0.00 O ATOM 0 H TYR A 63 -11.262 7.197 0.970 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.722 5.170 -0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.609 7.852 0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.010 6.754 -0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.599 9.800 -0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.867 6.341 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.785 11.112 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.053 7.662 -4.647 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.873 9.633 -5.221 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.211 4.714 1.470 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.451 4.403 2.675 1.00 0.00 C ATOM 1016 C LEU A 64 -5.983 4.188 2.319 1.00 0.00 C ATOM 1017 O LEU A 64 -5.656 3.476 1.365 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.090 3.202 3.399 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.250 2.496 4.467 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.156 2.007 5.581 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.499 1.328 3.852 1.00 0.00 C ATOM 0 H LEU A 64 -7.948 4.165 0.652 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.482 5.240 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.013 3.543 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.368 2.464 2.647 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.524 3.198 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.559 1.504 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.673 2.856 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.888 1.309 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.905 0.833 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.211 0.619 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.841 1.693 3.063 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.109 4.838 3.082 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.689 4.886 2.768 1.00 0.00 C ATOM 1035 C LEU A 65 -2.873 4.158 3.836 1.00 0.00 C ATOM 1036 O LEU A 65 -3.086 4.352 5.031 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.242 6.352 2.694 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.143 6.690 1.679 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.913 8.196 1.637 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.840 5.973 2.004 1.00 0.00 C ATOM 0 H LEU A 65 -5.366 5.343 3.930 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.522 4.393 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.116 6.962 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.895 6.652 3.683 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.478 6.347 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.131 8.425 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.836 8.697 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.608 8.545 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.085 6.237 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.497 6.273 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.004 4.895 1.987 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.938 3.333 3.392 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.995 2.668 4.287 1.00 0.00 C ATOM 1054 C TYR A 66 0.432 2.936 3.834 1.00 0.00 C ATOM 1055 O TYR A 66 0.820 2.574 2.726 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.256 1.165 4.343 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.171 0.719 5.466 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.661 0.453 6.732 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.530 0.527 5.258 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.479 0.009 7.754 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.350 0.087 6.276 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.821 -0.174 7.520 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.638 -0.614 8.536 1.00 0.00 O ATOM 0 H TYR A 66 -1.809 3.104 2.406 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.134 3.073 5.289 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.689 0.850 3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.302 0.648 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.607 0.596 6.920 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.952 0.725 4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.066 -0.193 8.731 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.406 -0.053 6.097 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.558 -0.690 8.206 1.00 0.00 H new ATOM 1073 N TYR A 67 1.206 3.588 4.689 1.00 0.00 N ATOM 1074 CA TYR A 67 2.563 3.976 4.331 1.00 0.00 C ATOM 1075 C TYR A 67 3.545 3.683 5.455 1.00 0.00 C ATOM 1076 O TYR A 67 3.152 3.412 6.590 1.00 0.00 O ATOM 1077 CB TYR A 67 2.615 5.468 3.960 1.00 0.00 C ATOM 1078 CG TYR A 67 2.199 6.405 5.077 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.129 6.893 5.987 1.00 0.00 C ATOM 1080 CD2 TYR A 67 0.876 6.807 5.214 1.00 0.00 C ATOM 1081 CE1 TYR A 67 2.752 7.750 7.004 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.492 7.664 6.226 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.432 8.133 7.118 1.00 0.00 C ATOM 1084 OH TYR A 67 1.046 8.977 8.132 1.00 0.00 O ATOM 0 H TYR A 67 0.920 3.858 5.630 1.00 0.00 H new ATOM 0 HA TYR A 67 2.857 3.382 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.630 5.718 3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.969 5.639 3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.164 6.598 5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.136 6.443 4.517 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.487 8.117 7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.541 7.966 6.318 1.00 0.00 H new ATOM 0 HH TYR A 67 1.791 9.569 8.367 1.00 0.00 H new ATOM 1094 N THR A 68 4.825 3.728 5.122 1.00 0.00 N ATOM 1095 CA THR A 68 5.882 3.542 6.101 1.00 0.00 C ATOM 1096 C THR A 68 7.165 4.192 5.590 1.00 0.00 C ATOM 1097 O THR A 68 7.422 4.215 4.381 1.00 0.00 O ATOM 1098 CB THR A 68 6.134 2.038 6.403 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.029 1.895 7.515 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.719 1.315 5.196 1.00 0.00 C ATOM 0 H THR A 68 5.158 3.893 4.172 1.00 0.00 H new ATOM 0 HA THR A 68 5.568 4.015 7.032 1.00 0.00 H new ATOM 0 HB THR A 68 5.170 1.590 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.177 0.943 7.695 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.882 0.266 5.444 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.026 1.386 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.668 1.775 4.922 1.00 0.00 H new ATOM 1108 N GLU A 69 7.929 4.778 6.498 1.00 0.00 N ATOM 1109 CA GLU A 69 9.216 5.335 6.150 1.00 0.00 C ATOM 1110 C GLU A 69 10.239 4.229 6.074 1.00 0.00 C ATOM 1111 O GLU A 69 10.324 3.380 6.963 1.00 0.00 O ATOM 1112 CB GLU A 69 9.648 6.368 7.180 1.00 0.00 C ATOM 1113 CG GLU A 69 8.504 7.195 7.682 1.00 0.00 C ATOM 1114 CD GLU A 69 8.971 8.364 8.515 1.00 0.00 C ATOM 1115 OE1 GLU A 69 9.407 9.378 7.929 1.00 0.00 O ATOM 1116 OE2 GLU A 69 8.928 8.267 9.758 1.00 0.00 O ATOM 0 H GLU A 69 7.675 4.878 7.481 1.00 0.00 H new ATOM 0 HA GLU A 69 9.136 5.826 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.121 5.861 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.399 7.023 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.924 7.562 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.839 6.569 8.277 1.00 0.00 H new ATOM 1123 N PHE A 70 11.004 4.235 5.013 1.00 0.00 N ATOM 1124 CA PHE A 70 11.937 3.160 4.764 1.00 0.00 C ATOM 1125 C PHE A 70 13.201 3.688 4.094 1.00 0.00 C ATOM 1126 O PHE A 70 13.216 4.806 3.582 1.00 0.00 O ATOM 1127 CB PHE A 70 11.277 2.048 3.925 1.00 0.00 C ATOM 1128 CG PHE A 70 10.862 2.449 2.528 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.448 3.735 2.244 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.887 1.524 1.503 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.073 4.093 0.961 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.510 1.871 0.218 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.104 3.159 -0.055 1.00 0.00 C ATOM 0 H PHE A 70 11.001 4.971 4.306 1.00 0.00 H new ATOM 0 HA PHE A 70 12.226 2.725 5.721 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.971 1.210 3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.397 1.688 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.416 4.471 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.206 0.513 1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.756 5.104 0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.534 1.133 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.812 3.436 -1.057 1.00 0.00 H new ATOM 1143 N THR A 71 14.255 2.890 4.109 1.00 0.00 N ATOM 1144 CA THR A 71 15.470 3.213 3.384 1.00 0.00 C ATOM 1145 C THR A 71 15.755 2.126 2.343 1.00 0.00 C ATOM 1146 O THR A 71 16.389 1.116 2.655 1.00 0.00 O ATOM 1147 CB THR A 71 16.682 3.352 4.332 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.405 4.323 5.350 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.926 3.779 3.565 1.00 0.00 C ATOM 0 H THR A 71 14.292 2.008 4.620 1.00 0.00 H new ATOM 0 HA THR A 71 15.318 4.173 2.890 1.00 0.00 H new ATOM 0 HB THR A 71 16.862 2.379 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.179 4.402 5.946 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.765 3.870 4.255 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.159 3.033 2.806 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.745 4.741 3.085 1.00 0.00 H new ATOM 1157 N PRO A 72 15.230 2.293 1.113 1.00 0.00 N ATOM 1158 CA PRO A 72 15.471 1.360 0.003 1.00 0.00 C ATOM 1159 C PRO A 72 16.951 1.136 -0.271 1.00 0.00 C ATOM 1160 O PRO A 72 17.776 2.033 -0.090 1.00 0.00 O ATOM 1161 CB PRO A 72 14.826 2.046 -1.214 1.00 0.00 C ATOM 1162 CG PRO A 72 14.515 3.440 -0.778 1.00 0.00 C ATOM 1163 CD PRO A 72 14.337 3.387 0.712 1.00 0.00 C ATOM 0 HA PRO A 72 15.061 0.376 0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.504 2.045 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.922 1.522 -1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.322 4.121 -1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.611 3.807 -1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.615 4.329 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.302 3.185 0.988 1.00 0.00 H new ATOM 1171 N THR A 73 17.268 -0.064 -0.727 1.00 0.00 N ATOM 1172 CA THR A 73 18.624 -0.431 -1.073 1.00 0.00 C ATOM 1173 C THR A 73 18.610 -1.238 -2.361 1.00 0.00 C ATOM 1174 O THR A 73 17.538 -1.604 -2.847 1.00 0.00 O ATOM 1175 CB THR A 73 19.301 -1.257 0.043 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.637 -2.517 0.200 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.275 -0.510 1.371 1.00 0.00 C ATOM 0 H THR A 73 16.588 -0.811 -0.867 1.00 0.00 H new ATOM 0 HA THR A 73 19.198 0.486 -1.202 1.00 0.00 H new ATOM 0 HB THR A 73 20.338 -1.421 -0.249 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.750 -2.473 -0.215 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.758 -1.115 2.138 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.806 0.436 1.267 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.242 -0.316 1.659 1.00 0.00 H new ATOM 1185 N GLU A 74 19.776 -1.501 -2.925 1.00 0.00 N ATOM 1186 CA GLU A 74 19.868 -2.330 -4.121 1.00 0.00 C ATOM 1187 C GLU A 74 19.324 -3.739 -3.854 1.00 0.00 C ATOM 1188 O GLU A 74 18.677 -4.347 -4.711 1.00 0.00 O ATOM 1189 CB GLU A 74 21.330 -2.437 -4.556 1.00 0.00 C ATOM 1190 CG GLU A 74 21.533 -2.590 -6.039 1.00 0.00 C ATOM 1191 CD GLU A 74 21.848 -1.270 -6.707 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.924 -0.629 -7.237 1.00 0.00 O ATOM 1193 OE2 GLU A 74 23.031 -0.870 -6.701 1.00 0.00 O ATOM 0 H GLU A 74 20.671 -1.156 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 74 19.272 -1.865 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.861 -1.547 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.784 -3.289 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.346 -3.293 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.635 -3.017 -6.486 1.00 0.00 H new ATOM 1200 N LYS A 75 19.592 -4.237 -2.649 1.00 0.00 N ATOM 1201 CA LYS A 75 19.370 -5.629 -2.305 1.00 0.00 C ATOM 1202 C LYS A 75 17.961 -5.909 -1.790 1.00 0.00 C ATOM 1203 O LYS A 75 17.437 -7.002 -1.999 1.00 0.00 O ATOM 1204 CB LYS A 75 20.388 -6.035 -1.243 1.00 0.00 C ATOM 1205 CG LYS A 75 21.834 -5.912 -1.703 1.00 0.00 C ATOM 1206 CD LYS A 75 22.690 -5.209 -0.665 1.00 0.00 C ATOM 1207 CE LYS A 75 24.120 -5.012 -1.151 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.993 -4.454 -0.083 1.00 0.00 N ATOM 0 H LYS A 75 19.971 -3.679 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 75 19.488 -6.213 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.244 -5.415 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.197 -7.066 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.240 -6.904 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.872 -5.360 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.250 -4.240 -0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.696 -5.792 0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.524 -5.966 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.123 -4.342 -2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.958 -4.334 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.622 -3.532 0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.010 -5.106 0.727 1.00 0.00 H new ATOM 1222 N ASP A 76 17.342 -4.943 -1.120 1.00 0.00 N ATOM 1223 CA ASP A 76 16.090 -5.227 -0.422 1.00 0.00 C ATOM 1224 C ASP A 76 14.883 -4.822 -1.261 1.00 0.00 C ATOM 1225 O ASP A 76 15.032 -4.216 -2.326 1.00 0.00 O ATOM 1226 CB ASP A 76 16.066 -4.541 0.955 1.00 0.00 C ATOM 1227 CG ASP A 76 15.740 -3.061 0.914 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.091 -2.385 -0.070 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.163 -2.565 1.901 1.00 0.00 O ATOM 0 H ASP A 76 17.674 -3.981 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 76 16.031 -6.304 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.333 -5.044 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.038 -4.673 1.430 1.00 0.00 H new ATOM 1234 N GLU A 77 13.691 -5.180 -0.791 1.00 0.00 N ATOM 1235 CA GLU A 77 12.462 -4.928 -1.532 1.00 0.00 C ATOM 1236 C GLU A 77 11.285 -4.871 -0.565 1.00 0.00 C ATOM 1237 O GLU A 77 11.313 -5.512 0.483 1.00 0.00 O ATOM 1238 CB GLU A 77 12.264 -6.031 -2.598 1.00 0.00 C ATOM 1239 CG GLU A 77 10.889 -6.082 -3.283 1.00 0.00 C ATOM 1240 CD GLU A 77 9.980 -7.148 -2.692 1.00 0.00 C ATOM 1241 OE1 GLU A 77 9.361 -6.901 -1.640 1.00 0.00 O ATOM 1242 OE2 GLU A 77 9.887 -8.241 -3.286 1.00 0.00 O ATOM 0 H GLU A 77 13.552 -5.648 0.105 1.00 0.00 H new ATOM 0 HA GLU A 77 12.526 -3.968 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.025 -5.902 -3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.447 -6.997 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.407 -5.109 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.024 -6.275 -4.347 1.00 0.00 H new ATOM 1249 N TYR A 78 10.286 -4.066 -0.900 1.00 0.00 N ATOM 1250 CA TYR A 78 9.091 -3.934 -0.094 1.00 0.00 C ATOM 1251 C TYR A 78 7.862 -4.248 -0.942 1.00 0.00 C ATOM 1252 O TYR A 78 7.876 -4.061 -2.161 1.00 0.00 O ATOM 1253 CB TYR A 78 8.986 -2.517 0.486 1.00 0.00 C ATOM 1254 CG TYR A 78 10.235 -2.035 1.204 1.00 0.00 C ATOM 1255 CD1 TYR A 78 11.399 -1.731 0.503 1.00 0.00 C ATOM 1256 CD2 TYR A 78 10.246 -1.869 2.584 1.00 0.00 C ATOM 1257 CE1 TYR A 78 12.530 -1.280 1.155 1.00 0.00 C ATOM 1258 CE2 TYR A 78 11.376 -1.419 3.241 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.511 -1.127 2.526 1.00 0.00 C ATOM 1260 OH TYR A 78 13.627 -0.663 3.189 1.00 0.00 O ATOM 0 H TYR A 78 10.286 -3.488 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 78 9.145 -4.640 0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.757 -1.823 -0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.147 -2.484 1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.418 -1.850 -0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.356 -2.096 3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.424 -1.048 0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.366 -1.297 4.314 1.00 0.00 H new ATOM 0 HH TYR A 78 14.412 -1.177 2.907 1.00 0.00 H new ATOM 1270 N ALA A 79 6.802 -4.721 -0.304 1.00 0.00 N ATOM 1271 CA ALA A 79 5.597 -5.152 -1.021 1.00 0.00 C ATOM 1272 C ALA A 79 4.329 -4.641 -0.345 1.00 0.00 C ATOM 1273 O ALA A 79 4.377 -4.145 0.769 1.00 0.00 O ATOM 1274 CB ALA A 79 5.551 -6.665 -1.133 1.00 0.00 C ATOM 0 H ALA A 79 6.745 -4.819 0.710 1.00 0.00 H new ATOM 0 HA ALA A 79 5.644 -4.723 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.649 -6.963 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.428 -7.016 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.542 -7.104 -0.135 1.00 0.00 H new ATOM 1280 N CYS A 80 3.210 -4.704 -1.049 1.00 0.00 N ATOM 1281 CA CYS A 80 1.918 -4.331 -0.480 1.00 0.00 C ATOM 1282 C CYS A 80 0.976 -5.538 -0.431 1.00 0.00 C ATOM 1283 O CYS A 80 0.842 -6.264 -1.417 1.00 0.00 O ATOM 1284 CB CYS A 80 1.278 -3.218 -1.311 1.00 0.00 C ATOM 1285 SG CYS A 80 1.695 -1.533 -0.764 1.00 0.00 S ATOM 0 H CYS A 80 3.167 -5.011 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 80 2.086 -3.975 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.585 -3.335 -2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.195 -3.338 -1.283 1.00 0.00 H new ATOM 1290 N ARG A 81 0.328 -5.747 0.714 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.649 -6.826 0.880 1.00 0.00 C ATOM 1292 C ARG A 81 -2.011 -6.236 1.229 1.00 0.00 C ATOM 1293 O ARG A 81 -2.076 -5.288 1.997 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.247 -7.751 2.029 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.905 -9.116 1.954 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.842 -9.860 3.278 1.00 0.00 C ATOM 1297 NE ARG A 81 0.476 -9.842 3.901 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.193 -10.932 4.150 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.759 -12.121 3.757 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.338 -10.836 4.807 1.00 0.00 N ATOM 0 H ARG A 81 0.463 -5.178 1.549 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.688 -7.385 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.836 -7.876 2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.510 -7.279 2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.947 -8.999 1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.416 -9.711 1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.565 -9.421 3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.143 -10.895 3.117 1.00 0.00 H new ATOM 0 HE ARG A 81 0.871 -8.938 4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.129 -12.202 3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.313 -12.955 3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.670 -9.925 5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.888 -11.673 4.998 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.096 -6.783 0.689 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.428 -6.359 1.117 1.00 0.00 C ATOM 1316 C VAL A 82 -5.345 -7.554 1.306 1.00 0.00 C ATOM 1317 O VAL A 82 -5.221 -8.572 0.624 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.101 -5.356 0.151 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.083 -4.423 -0.439 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.888 -6.053 -0.940 1.00 0.00 C ATOM 0 H VAL A 82 -3.084 -7.506 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.275 -5.846 2.066 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.812 -4.772 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.577 -3.726 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.593 -3.867 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.339 -4.998 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.342 -5.308 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.220 -6.687 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.669 -6.666 -0.490 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.238 -7.419 2.261 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.256 -8.426 2.530 1.00 0.00 C ATOM 1332 C ASN A 83 -8.648 -7.844 2.377 1.00 0.00 C ATOM 1333 O ASN A 83 -8.959 -6.834 2.999 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.164 -8.971 3.970 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.931 -9.799 4.253 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.963 -11.019 4.161 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.848 -9.148 4.627 1.00 0.00 N ATOM 0 H ASN A 83 -6.284 -6.608 2.878 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.079 -9.226 1.811 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.189 -8.131 4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.047 -9.578 4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.996 -9.662 4.852 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.862 -8.130 4.691 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.494 -8.473 1.571 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.899 -8.122 1.548 1.00 0.00 C ATOM 1346 C HIS A 84 -11.708 -9.362 1.205 1.00 0.00 C ATOM 1347 O HIS A 84 -11.148 -10.349 0.723 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.168 -7.012 0.537 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.383 -6.203 0.865 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.550 -6.356 0.160 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.560 -5.250 1.818 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.406 -5.500 0.689 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.852 -4.809 1.694 1.00 0.00 N ATOM 0 H HIS A 84 -9.230 -9.222 0.931 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.193 -7.750 2.530 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.301 -6.353 0.491 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.288 -7.451 -0.453 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.826 -4.907 2.533 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.425 -5.373 0.353 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.305 -4.091 2.259 1.00 0.00 H new ATOM 1361 N VAL A 85 -13.012 -9.317 1.445 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.862 -10.474 1.216 1.00 0.00 C ATOM 1363 C VAL A 85 -13.966 -10.799 -0.271 1.00 0.00 C ATOM 1364 O VAL A 85 -14.278 -11.930 -0.644 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.282 -10.266 1.793 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.216 -10.000 3.289 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -16.010 -9.136 1.071 1.00 0.00 C ATOM 0 H VAL A 85 -13.501 -8.494 1.797 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.394 -11.311 1.734 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.850 -11.182 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.224 -9.856 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.752 -10.850 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.625 -9.103 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -17.005 -9.013 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.448 -8.209 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -16.097 -9.378 0.012 1.00 0.00 H new ATOM 1377 N THR A 86 -13.711 -9.808 -1.118 1.00 0.00 N ATOM 1378 CA THR A 86 -13.846 -9.989 -2.551 1.00 0.00 C ATOM 1379 C THR A 86 -12.723 -10.854 -3.102 1.00 0.00 C ATOM 1380 O THR A 86 -12.945 -11.743 -3.924 1.00 0.00 O ATOM 1381 CB THR A 86 -13.838 -8.628 -3.278 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.527 -8.049 -3.227 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.817 -7.664 -2.637 1.00 0.00 C ATOM 0 H THR A 86 -13.411 -8.875 -0.834 1.00 0.00 H new ATOM 0 HA THR A 86 -14.799 -10.488 -2.727 1.00 0.00 H new ATOM 0 HB THR A 86 -14.131 -8.803 -4.313 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.390 -7.625 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.792 -6.713 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.823 -8.081 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.541 -7.505 -1.595 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.517 -10.572 -2.646 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.344 -11.299 -3.094 1.00 0.00 C ATOM 1393 C LEU A 87 -10.367 -12.711 -2.535 1.00 0.00 C ATOM 1394 O LEU A 87 -10.394 -12.908 -1.319 1.00 0.00 O ATOM 1395 CB LEU A 87 -9.057 -10.562 -2.663 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.349 -9.683 -3.741 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -9.375 -8.977 -4.582 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -7.435 -8.667 -3.068 1.00 0.00 C ATOM 0 H LEU A 87 -11.324 -9.841 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.355 -11.354 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.300 -9.925 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.343 -11.306 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.748 -10.326 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.873 -8.366 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.008 -9.713 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.990 -8.339 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.945 -8.058 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.024 -8.025 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.680 -9.190 -2.480 1.00 0.00 H new ATOM 1410 N SER A 88 -10.375 -13.690 -3.428 1.00 0.00 N ATOM 1411 CA SER A 88 -10.377 -15.087 -3.027 1.00 0.00 C ATOM 1412 C SER A 88 -9.020 -15.452 -2.421 1.00 0.00 C ATOM 1413 O SER A 88 -8.850 -16.513 -1.815 1.00 0.00 O ATOM 1414 CB SER A 88 -10.721 -15.968 -4.234 1.00 0.00 C ATOM 1415 OG SER A 88 -9.823 -15.742 -5.311 1.00 0.00 O ATOM 0 H SER A 88 -10.380 -13.541 -4.437 1.00 0.00 H new ATOM 0 HA SER A 88 -11.136 -15.257 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.686 -17.018 -3.942 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.741 -15.762 -4.559 1.00 0.00 H new ATOM 0 HG SER A 88 -10.066 -16.318 -6.066 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.059 -14.546 -2.595 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.750 -14.618 -1.963 1.00 0.00 C ATOM 1423 C GLN A 89 -6.323 -13.180 -1.680 1.00 0.00 C ATOM 1424 O GLN A 89 -6.454 -12.344 -2.577 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.703 -15.224 -2.909 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.194 -16.360 -3.789 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.280 -16.584 -4.975 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.073 -16.354 -4.894 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -5.846 -17.022 -6.085 1.00 0.00 N ATOM 0 H GLN A 89 -8.174 -13.727 -3.192 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.814 -15.236 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.317 -14.432 -3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.866 -15.586 -2.312 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.257 -17.275 -3.200 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.201 -16.138 -4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.850 -17.200 -6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.279 -17.182 -6.918 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.860 -12.827 -0.459 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.223 -11.522 -0.229 1.00 0.00 C ATOM 1440 C PRO A 90 -4.215 -11.201 -1.324 1.00 0.00 C ATOM 1441 O PRO A 90 -3.545 -12.095 -1.847 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.529 -11.724 1.108 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.480 -12.597 1.833 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.953 -13.603 0.802 1.00 0.00 C ATOM 0 HA PRO A 90 -5.927 -10.690 -0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.553 -12.195 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.367 -10.780 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.997 -13.092 2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.314 -12.023 2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.322 -14.491 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.971 -13.940 0.999 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.082 -9.934 -1.642 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.373 -9.540 -2.833 1.00 0.00 C ATOM 1454 C LYS A 91 -2.028 -8.938 -2.488 1.00 0.00 C ATOM 1455 O LYS A 91 -1.950 -8.016 -1.678 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.184 -8.541 -3.611 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.652 -8.386 -5.005 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.776 -9.707 -5.708 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.504 -9.571 -7.036 1.00 0.00 C ATOM 1460 NZ LYS A 91 -3.791 -8.684 -7.994 1.00 0.00 N ATOM 0 H LYS A 91 -4.456 -9.161 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.212 -10.431 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.225 -8.863 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.166 -7.577 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.209 -7.617 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.610 -8.066 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.783 -10.123 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.311 -10.410 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.625 -10.558 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.505 -9.177 -6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.223 -8.771 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.860 -7.698 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.790 -8.962 -8.045 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.974 -9.463 -3.082 1.00 0.00 N ATOM 1475 CA ILE A 92 0.356 -8.905 -2.885 1.00 0.00 C ATOM 1476 C ILE A 92 0.871 -8.299 -4.175 1.00 0.00 C ATOM 1477 O ILE A 92 0.859 -8.938 -5.226 1.00 0.00 O ATOM 1478 CB ILE A 92 1.380 -9.951 -2.399 1.00 0.00 C ATOM 1479 CG1 ILE A 92 0.987 -10.512 -1.043 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.765 -9.366 -2.322 1.00 0.00 C ATOM 1481 CD1 ILE A 92 2.109 -11.111 -0.260 1.00 0.00 C ATOM 0 H ILE A 92 -1.009 -10.272 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 92 0.252 -8.143 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 92 1.383 -10.761 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.537 -9.714 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.219 -11.272 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.463 -10.128 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.068 -9.017 -3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.768 -8.528 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.730 -11.484 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.547 -11.935 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.870 -10.352 -0.076 1.00 0.00 H new ATOM 1493 N VAL A 93 1.301 -7.063 -4.091 1.00 0.00 N ATOM 1494 CA VAL A 93 1.964 -6.405 -5.198 1.00 0.00 C ATOM 1495 C VAL A 93 3.294 -5.860 -4.716 1.00 0.00 C ATOM 1496 O VAL A 93 3.348 -5.115 -3.738 1.00 0.00 O ATOM 1497 CB VAL A 93 1.113 -5.264 -5.801 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.869 -4.553 -6.917 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.213 -5.802 -6.322 1.00 0.00 C ATOM 0 H VAL A 93 1.203 -6.484 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 93 2.114 -7.140 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 93 0.910 -4.542 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.249 -3.755 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.791 -4.129 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.108 -5.266 -7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.798 -4.984 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.025 -6.548 -7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.767 -6.260 -5.503 1.00 0.00 H new ATOM 1509 N LYS A 94 4.358 -6.244 -5.392 1.00 0.00 N ATOM 1510 CA LYS A 94 5.688 -5.863 -4.974 1.00 0.00 C ATOM 1511 C LYS A 94 6.022 -4.485 -5.534 1.00 0.00 C ATOM 1512 O LYS A 94 5.624 -4.144 -6.651 1.00 0.00 O ATOM 1513 CB LYS A 94 6.710 -6.922 -5.415 1.00 0.00 C ATOM 1514 CG LYS A 94 7.609 -6.516 -6.563 1.00 0.00 C ATOM 1515 CD LYS A 94 8.757 -7.501 -6.696 1.00 0.00 C ATOM 1516 CE LYS A 94 9.958 -6.895 -7.402 1.00 0.00 C ATOM 1517 NZ LYS A 94 9.670 -6.606 -8.828 1.00 0.00 N ATOM 0 H LYS A 94 4.325 -6.820 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 94 5.729 -5.807 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.335 -7.178 -4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.172 -7.826 -5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.037 -6.484 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.998 -5.512 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.056 -7.844 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.418 -8.378 -7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.251 -5.975 -6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.804 -7.579 -7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.553 -6.355 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.254 -7.448 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.001 -5.813 -8.893 1.00 0.00 H new ATOM 1531 N TRP A 95 6.722 -3.689 -4.747 1.00 0.00 N ATOM 1532 CA TRP A 95 7.068 -2.340 -5.144 1.00 0.00 C ATOM 1533 C TRP A 95 8.262 -2.367 -6.085 1.00 0.00 C ATOM 1534 O TRP A 95 9.286 -2.987 -5.791 1.00 0.00 O ATOM 1535 CB TRP A 95 7.376 -1.483 -3.906 1.00 0.00 C ATOM 1536 CG TRP A 95 7.800 -0.090 -4.243 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.006 0.911 -4.711 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.119 0.458 -4.130 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.751 2.047 -4.912 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.052 1.794 -4.558 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.351 -0.055 -3.709 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.168 2.627 -4.577 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.459 0.770 -3.727 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.361 2.103 -4.159 1.00 0.00 C ATOM 0 H TRP A 95 7.063 -3.957 -3.824 1.00 0.00 H new ATOM 0 HA TRP A 95 6.221 -1.896 -5.667 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.491 -1.443 -3.271 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.163 -1.965 -3.326 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.946 0.825 -4.897 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.395 2.935 -5.267 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.434 -1.079 -3.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.094 3.652 -4.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.415 0.384 -3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.243 2.726 -4.161 1.00 0.00 H new ATOM 1555 N ASP A 96 8.122 -1.704 -7.219 1.00 0.00 N ATOM 1556 CA ASP A 96 9.186 -1.658 -8.202 1.00 0.00 C ATOM 1557 C ASP A 96 9.495 -0.216 -8.562 1.00 0.00 C ATOM 1558 O ASP A 96 8.617 0.647 -8.545 1.00 0.00 O ATOM 1559 CB ASP A 96 8.810 -2.451 -9.464 1.00 0.00 C ATOM 1560 CG ASP A 96 7.876 -1.701 -10.401 1.00 0.00 C ATOM 1561 OD1 ASP A 96 6.653 -1.689 -10.151 1.00 0.00 O ATOM 1562 OD2 ASP A 96 8.367 -1.137 -11.405 1.00 0.00 O ATOM 0 H ASP A 96 7.281 -1.190 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 96 10.073 -2.118 -7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.721 -2.711 -10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.338 -3.387 -9.167 1.00 0.00 H new ATOM 1567 N ARG A 97 10.758 0.042 -8.850 1.00 0.00 N ATOM 1568 CA ARG A 97 11.189 1.350 -9.315 1.00 0.00 C ATOM 1569 C ARG A 97 11.438 1.297 -10.813 1.00 0.00 C ATOM 1570 O ARG A 97 11.387 2.313 -11.507 1.00 0.00 O ATOM 1571 CB ARG A 97 12.456 1.805 -8.576 1.00 0.00 C ATOM 1572 CG ARG A 97 13.565 0.730 -8.443 1.00 0.00 C ATOM 1573 CD ARG A 97 13.384 -0.248 -7.263 1.00 0.00 C ATOM 1574 NE ARG A 97 13.309 -1.653 -7.682 1.00 0.00 N ATOM 1575 CZ ARG A 97 13.816 -2.662 -6.968 1.00 0.00 C ATOM 1576 NH1 ARG A 97 14.483 -2.424 -5.845 1.00 0.00 N ATOM 1577 NH2 ARG A 97 13.656 -3.910 -7.383 1.00 0.00 N ATOM 0 H ARG A 97 11.510 -0.643 -8.769 1.00 0.00 H new ATOM 0 HA ARG A 97 10.403 2.075 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.870 2.669 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.175 2.139 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.607 0.156 -9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.526 1.232 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.215 -0.127 -6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.475 0.012 -6.721 1.00 0.00 H new ATOM 0 HE ARG A 97 12.846 -1.870 -8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.611 -1.465 -5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.867 -3.200 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.147 -4.099 -8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.042 -4.682 -6.839 1.00 0.00 H new ATOM 1591 N ASP A 98 11.713 0.093 -11.291 1.00 0.00 N ATOM 1592 CA ASP A 98 11.835 -0.178 -12.721 1.00 0.00 C ATOM 1593 C ASP A 98 11.896 -1.681 -12.931 1.00 0.00 C ATOM 1594 O ASP A 98 11.782 -2.191 -14.045 1.00 0.00 O ATOM 1595 CB ASP A 98 13.090 0.473 -13.304 1.00 0.00 C ATOM 1596 CG ASP A 98 13.053 0.520 -14.816 1.00 0.00 C ATOM 1597 OD1 ASP A 98 13.631 -0.373 -15.461 1.00 0.00 O ATOM 1598 OD2 ASP A 98 12.420 1.451 -15.360 1.00 0.00 O ATOM 0 H ASP A 98 11.858 -0.726 -10.701 1.00 0.00 H new ATOM 0 HA ASP A 98 10.970 0.243 -13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.189 1.485 -12.912 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.970 -0.082 -12.980 1.00 0.00 H new ATOM 1603 N MET A 99 12.051 -2.374 -11.821 1.00 0.00 N ATOM 1604 CA MET A 99 12.272 -3.802 -11.795 1.00 0.00 C ATOM 1605 C MET A 99 11.913 -4.296 -10.410 1.00 0.00 C ATOM 1606 CB MET A 99 13.754 -4.085 -12.102 1.00 0.00 C ATOM 1607 CG MET A 99 14.667 -3.082 -11.422 1.00 0.00 C ATOM 1608 SD MET A 99 16.280 -2.955 -12.219 1.00 0.00 S ATOM 1609 CE MET A 99 17.005 -1.605 -11.293 1.00 0.00 C ATOM 0 H MET A 99 12.026 -1.950 -10.894 1.00 0.00 H new ATOM 0 HA MET A 99 11.661 -4.312 -12.540 1.00 0.00 H new ATOM 0 HB2 MET A 99 14.009 -5.092 -11.772 1.00 0.00 H new ATOM 0 HB3 MET A 99 13.916 -4.053 -13.179 1.00 0.00 H new ATOM 0 HG2 MET A 99 14.188 -2.103 -11.422 1.00 0.00 H new ATOM 0 HG3 MET A 99 14.803 -3.370 -10.380 1.00 0.00 H new ATOM 0 HE1 MET A 99 18.009 -1.404 -11.668 1.00 0.00 H new ATOM 0 HE2 MET A 99 16.389 -0.713 -11.408 1.00 0.00 H new ATOM 0 HE3 MET A 99 17.059 -1.875 -10.238 1.00 0.00 H new TER 1619 MET A 99