USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 926 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 104 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 ASN : amide:sc= 0 X(o=0,f=0.45) USER MOD Set 1.3: A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 72 CYS SG : rot 103:sc= 1.09 USER MOD Set 2.2: A 90 CYS SG : rot 37:sc= 0.618 USER MOD Set 3.1: A 81 THR OG1 : rot -89:sc= 1.12 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 178:sc= 1.71 (180deg=1.1) USER MOD Set 4.1: A 63 SER OG : rot 180:sc= 0.364 USER MOD Set 4.2: A 70 LYS NZ :NH3+ -148:sc= 0.399 (180deg=0) USER MOD Set 5.1: A 62 CYS SG : rot 170:sc= 1.04 USER MOD Set 5.2: A 76 CYS SG : rot -42:sc= 0.678 USER MOD Set 6.1: A 42 ASN : amide:sc= 0.18 X(o=0.87,f=0.52) USER MOD Set 6.2: A 55 GLN : amide:sc= 0.692 K(o=0.87,f=-0.013) USER MOD Set 7.1: A 48 SER OG : rot 180:sc= 0.305 USER MOD Set 7.2: A 57 ASN : amide:sc= 0.748 K(o=1.1,f=-6.1!) USER MOD Set 8.1: A 28 CYS SG : rot -130:sc= 0.548 USER MOD Set 8.2: A 32 HIS : no HD1:sc= 0 X(o=0.52,f=0.42) USER MOD Set 8.3: A 110 CYS SG : rot -78:sc= -0.0253 USER MOD Set 9.1: A 16 HIS : no HD1:sc= -0.11 X(o=-0.59,f=-1.1) USER MOD Set 9.2: A 85 THR OG1 : rot 177:sc= -0.48 USER MOD Set10.1: A 7 CYS SG : rot 180:sc= 0 USER MOD Set10.2: A 11 HIS : no HD1:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0.701 (180deg=0.663) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.14) USER MOD Single : A 21 ASN : amide:sc=-0.00169 K(o=-0.0017,f=-2!) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.126 (180deg=-3.63!) USER MOD Single : A 25 ASN : amide:sc= 0.203 K(o=0.2,f=-0.99) USER MOD Single : A 34 SER OG : rot -121:sc= 1.22 USER MOD Single : A 35 SER OG : rot -33:sc= 0.115 USER MOD Single : A 38 THR OG1 : rot 165:sc= 1.23 USER MOD Single : A 39 SER OG : rot 180:sc= -0.478 USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= 1.09 (180deg=0.659) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc=-7.81e-06 USER MOD Single : A 44 ASN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.732 K(o=0.73,f=-3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 20:sc= 0.43 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= 1.14 (180deg=0.922) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0.588 (180deg=0.493) USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.15) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0803 X(o=-0.08,f=-0.08) USER MOD Single : A 107 LYS NZ :NH3+ 179:sc= 1.13 (180deg=1.12) USER MOD Single : A 111 GLN : amide:sc= 1.25 K(o=1.2,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -37:sc= 0.0238 USER MOD Single : A 120 CYS SG : rot 180:sc= -0.0532 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.319 -7.975 10.027 1.00 0.00 N ATOM 2 CA GLY A 1 -7.878 -7.792 8.634 1.00 0.00 C ATOM 3 C GLY A 1 -8.531 -8.795 7.697 1.00 0.00 C ATOM 4 O GLY A 1 -9.164 -9.761 8.128 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.777 -7.342 10.649 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.332 -7.751 10.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.160 -8.962 10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.118 -6.780 8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.794 -7.896 8.579 1.00 0.00 H new ATOM 10 N LYS A 2 -8.371 -8.565 6.392 1.00 0.00 N ATOM 11 CA LYS A 2 -9.063 -9.267 5.303 1.00 0.00 C ATOM 12 C LYS A 2 -8.276 -9.211 3.976 1.00 0.00 C ATOM 13 O LYS A 2 -7.393 -8.363 3.803 1.00 0.00 O ATOM 14 CB LYS A 2 -10.477 -8.667 5.137 1.00 0.00 C ATOM 15 CG LYS A 2 -10.460 -7.190 4.693 1.00 0.00 C ATOM 16 CD LYS A 2 -11.860 -6.609 4.455 1.00 0.00 C ATOM 17 CE LYS A 2 -12.499 -7.174 3.178 1.00 0.00 C ATOM 18 NZ LYS A 2 -13.829 -6.563 2.914 1.00 0.00 N ATOM 0 H LYS A 2 -7.727 -7.853 6.048 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.140 -10.322 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.030 -9.254 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.013 -8.750 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.952 -6.596 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.877 -7.101 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.497 -6.833 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.796 -5.523 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.840 -6.992 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.607 -8.255 3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.231 -6.968 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.465 -6.758 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.722 -5.535 2.800 1.00 0.00 H new ATOM 32 N THR A 3 -8.661 -10.063 3.017 1.00 0.00 N ATOM 33 CA THR A 3 -8.090 -10.103 1.662 1.00 0.00 C ATOM 34 C THR A 3 -9.125 -9.642 0.643 1.00 0.00 C ATOM 35 O THR A 3 -10.238 -10.166 0.601 1.00 0.00 O ATOM 36 CB THR A 3 -7.546 -11.495 1.318 1.00 0.00 C ATOM 37 OG1 THR A 3 -6.775 -11.974 2.400 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.629 -11.430 0.096 1.00 0.00 C ATOM 0 H THR A 3 -9.393 -10.758 3.163 1.00 0.00 H new ATOM 0 HA THR A 3 -7.244 -9.417 1.629 1.00 0.00 H new ATOM 0 HB THR A 3 -8.393 -12.150 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.427 -12.864 2.185 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.254 -12.428 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.188 -11.049 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.790 -10.766 0.305 1.00 0.00 H new ATOM 46 N PHE A 4 -8.751 -8.655 -0.169 1.00 0.00 N ATOM 47 CA PHE A 4 -9.561 -8.091 -1.252 1.00 0.00 C ATOM 48 C PHE A 4 -9.318 -8.847 -2.569 1.00 0.00 C ATOM 49 O PHE A 4 -8.264 -9.455 -2.776 1.00 0.00 O ATOM 50 CB PHE A 4 -9.234 -6.587 -1.406 1.00 0.00 C ATOM 51 CG PHE A 4 -9.719 -5.705 -0.265 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.049 -5.705 0.976 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.847 -4.876 -0.438 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.525 -4.918 2.040 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.325 -4.093 0.629 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.669 -4.120 1.871 1.00 0.00 C ATOM 0 H PHE A 4 -7.838 -8.207 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.617 -8.201 -1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.154 -6.473 -1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.675 -6.228 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.166 -6.312 1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.347 -4.842 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.010 -4.927 2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.197 -3.471 0.493 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.043 -3.529 2.694 1.00 0.00 H new ATOM 66 N THR A 5 -10.290 -8.767 -3.482 1.00 0.00 N ATOM 67 CA THR A 5 -10.167 -9.198 -4.889 1.00 0.00 C ATOM 68 C THR A 5 -9.802 -7.986 -5.742 1.00 0.00 C ATOM 69 O THR A 5 -9.986 -6.858 -5.287 1.00 0.00 O ATOM 70 CB THR A 5 -11.436 -9.921 -5.358 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.152 -10.496 -6.612 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.662 -9.017 -5.504 1.00 0.00 C ATOM 0 H THR A 5 -11.212 -8.391 -3.263 1.00 0.00 H new ATOM 0 HA THR A 5 -9.367 -9.931 -4.994 1.00 0.00 H new ATOM 0 HB THR A 5 -11.692 -10.655 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.944 -10.969 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.513 -9.610 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.894 -8.560 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.453 -8.236 -6.235 1.00 0.00 H new ATOM 80 N ARG A 6 -9.286 -8.175 -6.962 1.00 0.00 N ATOM 81 CA ARG A 6 -8.802 -7.064 -7.800 1.00 0.00 C ATOM 82 C ARG A 6 -9.888 -6.006 -8.040 1.00 0.00 C ATOM 83 O ARG A 6 -9.659 -4.827 -7.775 1.00 0.00 O ATOM 84 CB ARG A 6 -8.222 -7.594 -9.119 1.00 0.00 C ATOM 85 CG ARG A 6 -7.523 -6.471 -9.907 1.00 0.00 C ATOM 86 CD ARG A 6 -6.830 -6.994 -11.168 1.00 0.00 C ATOM 87 NE ARG A 6 -5.711 -7.892 -10.830 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.343 -9.006 -11.448 1.00 0.00 C ATOM 89 NH1 ARG A 6 -6.005 -9.502 -12.473 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.272 -9.634 -11.029 1.00 0.00 N ATOM 0 H ARG A 6 -9.191 -9.093 -7.396 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.000 -6.565 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.511 -8.394 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.020 -8.025 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.256 -5.714 -10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.788 -5.983 -9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.552 -7.526 -11.788 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.461 -6.155 -11.757 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.151 -7.623 -10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.837 -9.026 -12.821 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.686 -10.362 -12.918 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.739 -9.264 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.971 -10.493 -11.490 1.00 0.00 H new ATOM 104 N CYS A 7 -11.093 -6.411 -8.452 1.00 0.00 N ATOM 105 CA CYS A 7 -12.223 -5.490 -8.659 1.00 0.00 C ATOM 106 C CYS A 7 -12.622 -4.748 -7.371 1.00 0.00 C ATOM 107 O CYS A 7 -12.860 -3.542 -7.402 1.00 0.00 O ATOM 108 CB CYS A 7 -13.402 -6.268 -9.257 1.00 0.00 C ATOM 109 SG CYS A 7 -14.817 -5.241 -9.737 1.00 0.00 S ATOM 0 H CYS A 7 -11.316 -7.386 -8.652 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.913 -4.715 -9.359 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.053 -6.815 -10.133 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.737 -7.009 -8.531 1.00 0.00 H new ATOM 0 HG CYS A 7 -15.753 -5.996 -10.230 1.00 0.00 H new ATOM 114 N GLY A 8 -12.578 -5.435 -6.221 1.00 0.00 N ATOM 115 CA GLY A 8 -12.822 -4.842 -4.902 1.00 0.00 C ATOM 116 C GLY A 8 -11.758 -3.807 -4.543 1.00 0.00 C ATOM 117 O GLY A 8 -12.102 -2.697 -4.155 1.00 0.00 O ATOM 0 H GLY A 8 -12.369 -6.433 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.805 -4.372 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.835 -5.628 -4.147 1.00 0.00 H new ATOM 121 N LEU A 9 -10.474 -4.129 -4.735 1.00 0.00 N ATOM 122 CA LEU A 9 -9.344 -3.229 -4.524 1.00 0.00 C ATOM 123 C LEU A 9 -9.396 -2.015 -5.460 1.00 0.00 C ATOM 124 O LEU A 9 -9.322 -0.897 -4.965 1.00 0.00 O ATOM 125 CB LEU A 9 -8.050 -4.050 -4.675 1.00 0.00 C ATOM 126 CG LEU A 9 -6.779 -3.232 -4.393 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.782 -2.676 -2.964 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.537 -4.097 -4.618 1.00 0.00 C ATOM 0 H LEU A 9 -10.188 -5.055 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.382 -2.807 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.085 -4.901 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.998 -4.453 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.760 -2.389 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.871 -2.102 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.649 -2.029 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.829 -3.501 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.642 -3.508 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.566 -4.956 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.517 -4.444 -5.651 1.00 0.00 H new ATOM 140 N VAL A 10 -9.597 -2.212 -6.767 1.00 0.00 N ATOM 141 CA VAL A 10 -9.799 -1.122 -7.746 1.00 0.00 C ATOM 142 C VAL A 10 -10.870 -0.138 -7.241 1.00 0.00 C ATOM 143 O VAL A 10 -10.652 1.070 -7.233 1.00 0.00 O ATOM 144 CB VAL A 10 -10.196 -1.679 -9.140 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.730 -0.592 -10.084 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.017 -2.362 -9.849 1.00 0.00 C ATOM 0 H VAL A 10 -9.626 -3.141 -7.187 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.853 -0.592 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.983 -2.404 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.991 -1.039 -11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.615 -0.132 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.963 0.168 -10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.343 -2.736 -10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.211 -1.642 -9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.660 -3.194 -9.242 1.00 0.00 H new ATOM 156 N HIS A 11 -12.002 -0.651 -6.755 1.00 0.00 N ATOM 157 CA HIS A 11 -13.106 0.159 -6.216 1.00 0.00 C ATOM 158 C HIS A 11 -12.753 0.853 -4.888 1.00 0.00 C ATOM 159 O HIS A 11 -13.093 2.020 -4.689 1.00 0.00 O ATOM 160 CB HIS A 11 -14.346 -0.728 -6.026 1.00 0.00 C ATOM 161 CG HIS A 11 -15.025 -1.202 -7.290 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.245 -1.884 -7.317 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.589 -1.032 -8.574 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.503 -2.118 -8.614 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.528 -1.619 -9.391 1.00 0.00 N ATOM 0 H HIS A 11 -12.184 -1.654 -6.723 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.307 0.949 -6.940 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.056 -1.603 -5.444 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.074 -0.176 -5.432 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.683 -0.534 -8.887 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.376 -2.637 -8.982 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.490 -1.667 -10.409 1.00 0.00 H new ATOM 173 N GLU A 12 -12.056 0.158 -3.992 1.00 0.00 N ATOM 174 CA GLU A 12 -11.658 0.667 -2.679 1.00 0.00 C ATOM 175 C GLU A 12 -10.691 1.851 -2.821 1.00 0.00 C ATOM 176 O GLU A 12 -10.869 2.886 -2.184 1.00 0.00 O ATOM 177 CB GLU A 12 -11.052 -0.489 -1.860 1.00 0.00 C ATOM 178 CG GLU A 12 -11.238 -0.365 -0.346 1.00 0.00 C ATOM 179 CD GLU A 12 -12.709 -0.221 0.085 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.602 -0.873 -0.503 1.00 0.00 O ATOM 181 OE2 GLU A 12 -12.993 0.573 1.010 1.00 0.00 O ATOM 0 H GLU A 12 -11.744 -0.798 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.530 1.047 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.500 -1.426 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.986 -0.551 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.811 -1.244 0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.677 0.499 0.011 1.00 0.00 H new ATOM 188 N LEU A 13 -9.731 1.747 -3.739 1.00 0.00 N ATOM 189 CA LEU A 13 -8.768 2.806 -4.048 1.00 0.00 C ATOM 190 C LEU A 13 -9.412 3.976 -4.802 1.00 0.00 C ATOM 191 O LEU A 13 -9.101 5.131 -4.516 1.00 0.00 O ATOM 192 CB LEU A 13 -7.626 2.191 -4.862 1.00 0.00 C ATOM 193 CG LEU A 13 -6.868 1.063 -4.147 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.890 0.430 -5.138 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.115 1.533 -2.902 1.00 0.00 C ATOM 0 H LEU A 13 -9.597 0.907 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.387 3.222 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.031 1.803 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.918 2.978 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.605 0.338 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.343 -0.374 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.442 0.027 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.187 1.186 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.602 0.686 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.384 2.291 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.821 1.957 -2.188 1.00 0.00 H new ATOM 207 N ARG A 14 -10.350 3.696 -5.715 1.00 0.00 N ATOM 208 CA ARG A 14 -11.157 4.737 -6.383 1.00 0.00 C ATOM 209 C ARG A 14 -11.932 5.601 -5.370 1.00 0.00 C ATOM 210 O ARG A 14 -11.953 6.826 -5.498 1.00 0.00 O ATOM 211 CB ARG A 14 -12.133 4.115 -7.396 1.00 0.00 C ATOM 212 CG ARG A 14 -11.481 3.754 -8.738 1.00 0.00 C ATOM 213 CD ARG A 14 -12.436 2.860 -9.533 1.00 0.00 C ATOM 214 NE ARG A 14 -11.942 2.546 -10.882 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.516 1.667 -11.703 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.670 1.103 -11.429 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.949 1.294 -12.827 1.00 0.00 N ATOM 0 H ARG A 14 -10.574 2.747 -6.014 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.460 5.384 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.571 3.216 -6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.951 4.813 -7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.255 4.659 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.535 3.239 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.595 1.931 -8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.405 3.353 -9.613 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.107 3.032 -11.210 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.158 1.334 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.079 0.434 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.043 1.679 -13.094 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.415 0.619 -13.434 1.00 0.00 H new ATOM 231 N LYS A 15 -12.516 4.995 -4.327 1.00 0.00 N ATOM 232 CA LYS A 15 -13.158 5.724 -3.214 1.00 0.00 C ATOM 233 C LYS A 15 -12.144 6.507 -2.355 1.00 0.00 C ATOM 234 O LYS A 15 -12.449 7.602 -1.880 1.00 0.00 O ATOM 235 CB LYS A 15 -13.939 4.737 -2.328 1.00 0.00 C ATOM 236 CG LYS A 15 -15.196 4.162 -3.004 1.00 0.00 C ATOM 237 CD LYS A 15 -15.930 3.144 -2.113 1.00 0.00 C ATOM 238 CE LYS A 15 -15.054 1.916 -1.824 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.732 0.912 -0.966 1.00 0.00 N ATOM 0 H LYS A 15 -12.559 3.981 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.838 6.453 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.280 3.915 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.231 5.242 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.875 4.977 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.914 3.683 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.214 3.619 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.851 2.828 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.770 1.448 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.133 2.239 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.077 0.130 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.025 1.359 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.569 0.542 -1.460 1.00 0.00 H new ATOM 253 N HIS A 16 -10.927 5.979 -2.193 1.00 0.00 N ATOM 254 CA HIS A 16 -9.869 6.545 -1.342 1.00 0.00 C ATOM 255 C HIS A 16 -8.972 7.592 -2.047 1.00 0.00 C ATOM 256 O HIS A 16 -8.020 8.097 -1.443 1.00 0.00 O ATOM 257 CB HIS A 16 -9.073 5.384 -0.717 1.00 0.00 C ATOM 258 CG HIS A 16 -9.879 4.515 0.224 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.223 4.684 0.585 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.393 3.415 0.860 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.512 3.652 1.393 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.435 2.874 1.578 1.00 0.00 N ATOM 0 H HIS A 16 -10.640 5.121 -2.663 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.343 7.127 -0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.673 4.760 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.220 5.793 -0.175 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.382 3.038 0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.481 3.472 1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.395 2.030 2.150 1.00 0.00 H new ATOM 270 N GLY A 17 -9.283 7.956 -3.300 1.00 0.00 N ATOM 271 CA GLY A 17 -8.666 9.080 -4.022 1.00 0.00 C ATOM 272 C GLY A 17 -7.471 8.706 -4.903 1.00 0.00 C ATOM 273 O GLY A 17 -6.657 9.576 -5.217 1.00 0.00 O ATOM 0 H GLY A 17 -9.987 7.466 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.425 9.551 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.343 9.825 -3.295 1.00 0.00 H new ATOM 277 N PHE A 18 -7.349 7.438 -5.305 1.00 0.00 N ATOM 278 CA PHE A 18 -6.339 6.978 -6.262 1.00 0.00 C ATOM 279 C PHE A 18 -6.837 7.214 -7.702 1.00 0.00 C ATOM 280 O PHE A 18 -8.015 7.001 -8.001 1.00 0.00 O ATOM 281 CB PHE A 18 -6.012 5.501 -6.021 1.00 0.00 C ATOM 282 CG PHE A 18 -5.311 5.161 -4.713 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.942 5.363 -3.471 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.018 4.605 -4.742 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.275 5.055 -2.278 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.347 4.293 -3.547 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.973 4.524 -2.312 1.00 0.00 C ATOM 0 H PHE A 18 -7.958 6.691 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.422 7.549 -6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.942 4.935 -6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.387 5.152 -6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.947 5.758 -3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.537 4.417 -5.691 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.762 5.226 -1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.351 3.876 -3.579 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.457 4.295 -1.391 1.00 0.00 H new ATOM 297 N GLU A 19 -5.946 7.650 -8.597 1.00 0.00 N ATOM 298 CA GLU A 19 -6.299 8.019 -9.975 1.00 0.00 C ATOM 299 C GLU A 19 -6.541 6.784 -10.854 1.00 0.00 C ATOM 300 O GLU A 19 -5.762 5.830 -10.830 1.00 0.00 O ATOM 301 CB GLU A 19 -5.190 8.870 -10.614 1.00 0.00 C ATOM 302 CG GLU A 19 -4.869 10.184 -9.894 1.00 0.00 C ATOM 303 CD GLU A 19 -6.049 11.169 -9.931 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.235 11.856 -10.964 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.792 11.272 -8.928 1.00 0.00 O ATOM 0 H GLU A 19 -4.954 7.758 -8.387 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.222 8.595 -9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.280 8.272 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.478 9.099 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.606 9.974 -8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.997 10.646 -10.357 1.00 0.00 H new ATOM 312 N GLU A 20 -7.592 6.819 -11.681 1.00 0.00 N ATOM 313 CA GLU A 20 -7.974 5.701 -12.554 1.00 0.00 C ATOM 314 C GLU A 20 -6.895 5.318 -13.586 1.00 0.00 C ATOM 315 O GLU A 20 -6.792 4.148 -13.954 1.00 0.00 O ATOM 316 CB GLU A 20 -9.327 5.985 -13.231 1.00 0.00 C ATOM 317 CG GLU A 20 -9.314 7.167 -14.211 1.00 0.00 C ATOM 318 CD GLU A 20 -10.714 7.415 -14.793 1.00 0.00 C ATOM 319 OE1 GLU A 20 -11.490 8.201 -14.199 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.046 6.832 -15.854 1.00 0.00 O ATOM 0 H GLU A 20 -8.206 7.629 -11.765 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.076 4.828 -11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.646 5.090 -13.765 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.072 6.178 -12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.965 8.064 -13.700 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.611 6.966 -15.019 1.00 0.00 H new ATOM 327 N ASN A 21 -6.042 6.263 -14.008 1.00 0.00 N ATOM 328 CA ASN A 21 -4.923 5.996 -14.921 1.00 0.00 C ATOM 329 C ASN A 21 -3.680 5.409 -14.219 1.00 0.00 C ATOM 330 O ASN A 21 -2.813 4.842 -14.889 1.00 0.00 O ATOM 331 CB ASN A 21 -4.579 7.265 -15.720 1.00 0.00 C ATOM 332 CG ASN A 21 -3.837 8.331 -14.914 1.00 0.00 C ATOM 333 OD1 ASN A 21 -4.142 8.590 -13.758 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.838 8.971 -15.492 1.00 0.00 N ATOM 0 H ASN A 21 -6.110 7.240 -13.723 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.254 5.220 -15.611 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.970 6.986 -16.579 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.501 7.696 -16.110 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.320 9.682 -14.975 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.584 8.755 -16.456 1.00 0.00 H new ATOM 341 N LEU A 22 -3.599 5.504 -12.884 1.00 0.00 N ATOM 342 CA LEU A 22 -2.554 4.879 -12.061 1.00 0.00 C ATOM 343 C LEU A 22 -3.018 3.560 -11.424 1.00 0.00 C ATOM 344 O LEU A 22 -2.185 2.797 -10.939 1.00 0.00 O ATOM 345 CB LEU A 22 -2.100 5.866 -10.970 1.00 0.00 C ATOM 346 CG LEU A 22 -1.548 7.219 -11.458 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.085 8.032 -10.240 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.394 7.083 -12.463 1.00 0.00 C ATOM 0 H LEU A 22 -4.276 6.031 -12.333 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.718 4.637 -12.717 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.946 6.060 -10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.332 5.381 -10.368 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.354 7.727 -11.987 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.692 8.993 -10.572 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.929 8.197 -9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.305 7.484 -9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.055 8.074 -12.764 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.431 6.542 -11.999 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.738 6.536 -13.340 1.00 0.00 H new ATOM 360 N MET A 23 -4.324 3.273 -11.429 1.00 0.00 N ATOM 361 CA MET A 23 -4.943 2.123 -10.755 1.00 0.00 C ATOM 362 C MET A 23 -4.267 0.786 -11.104 1.00 0.00 C ATOM 363 O MET A 23 -3.976 0.002 -10.198 1.00 0.00 O ATOM 364 CB MET A 23 -6.448 2.130 -11.086 1.00 0.00 C ATOM 365 CG MET A 23 -7.314 1.324 -10.108 1.00 0.00 C ATOM 366 SD MET A 23 -7.204 1.844 -8.383 1.00 0.00 S ATOM 367 CE MET A 23 -7.750 3.557 -8.568 1.00 0.00 C ATOM 0 H MET A 23 -5.004 3.854 -11.919 1.00 0.00 H new ATOM 0 HA MET A 23 -4.804 2.221 -9.678 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.800 3.161 -11.100 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.589 1.732 -12.091 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.354 1.392 -10.427 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.029 0.274 -10.174 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.295 3.863 -7.675 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.882 4.203 -8.703 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.402 3.639 -9.438 1.00 0.00 H new ATOM 377 N ARG A 24 -3.912 0.564 -12.382 1.00 0.00 N ATOM 378 CA ARG A 24 -3.174 -0.630 -12.831 1.00 0.00 C ATOM 379 C ARG A 24 -1.853 -0.813 -12.070 1.00 0.00 C ATOM 380 O ARG A 24 -1.591 -1.888 -11.528 1.00 0.00 O ATOM 381 CB ARG A 24 -2.857 -0.566 -14.339 1.00 0.00 C ATOM 382 CG ARG A 24 -4.084 -0.377 -15.239 1.00 0.00 C ATOM 383 CD ARG A 24 -3.741 -0.498 -16.728 1.00 0.00 C ATOM 384 NE ARG A 24 -3.437 -1.889 -17.105 1.00 0.00 N ATOM 385 CZ ARG A 24 -2.985 -2.311 -18.280 1.00 0.00 C ATOM 386 NH1 ARG A 24 -2.715 -1.482 -19.266 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.801 -3.596 -18.477 1.00 0.00 N ATOM 0 H ARG A 24 -4.131 1.213 -13.138 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.828 -1.478 -12.626 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.162 0.255 -14.517 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.347 -1.484 -14.630 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.838 -1.120 -14.981 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.523 0.602 -15.049 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.577 -0.133 -17.325 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.885 0.137 -16.957 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.589 -2.601 -16.390 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.852 -0.479 -19.141 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.369 -1.843 -20.155 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.005 -4.261 -17.731 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.454 -3.930 -19.376 1.00 0.00 H new ATOM 401 N ASN A 25 -1.042 0.248 -11.985 1.00 0.00 N ATOM 402 CA ASN A 25 0.226 0.250 -11.251 1.00 0.00 C ATOM 403 C ASN A 25 -0.015 -0.017 -9.762 1.00 0.00 C ATOM 404 O ASN A 25 0.660 -0.864 -9.182 1.00 0.00 O ATOM 405 CB ASN A 25 0.968 1.590 -11.414 1.00 0.00 C ATOM 406 CG ASN A 25 1.508 1.872 -12.813 1.00 0.00 C ATOM 407 OD1 ASN A 25 0.991 1.417 -13.823 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.579 2.641 -12.907 1.00 0.00 N ATOM 0 H ASN A 25 -1.252 1.141 -12.431 1.00 0.00 H new ATOM 0 HA ASN A 25 0.845 -0.544 -11.669 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.291 2.397 -11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.800 1.613 -10.710 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.974 2.855 -13.823 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.010 3.020 -12.064 1.00 0.00 H new ATOM 415 N TRP A 26 -1.008 0.647 -9.157 1.00 0.00 N ATOM 416 CA TRP A 26 -1.323 0.508 -7.735 1.00 0.00 C ATOM 417 C TRP A 26 -1.798 -0.901 -7.369 1.00 0.00 C ATOM 418 O TRP A 26 -1.227 -1.500 -6.455 1.00 0.00 O ATOM 419 CB TRP A 26 -2.335 1.585 -7.325 1.00 0.00 C ATOM 420 CG TRP A 26 -1.735 2.940 -7.116 1.00 0.00 C ATOM 421 CD1 TRP A 26 -1.972 4.046 -7.856 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.810 3.358 -6.064 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.270 5.115 -7.336 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.566 4.757 -6.203 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.170 2.695 -4.994 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.233 5.470 -5.295 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.644 3.397 -4.086 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.838 4.782 -4.227 1.00 0.00 C ATOM 0 H TRP A 26 -1.619 1.300 -9.647 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.404 0.658 -7.168 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.106 1.655 -8.093 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.829 1.273 -6.405 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.614 4.087 -8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.271 6.052 -7.738 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.308 1.631 -4.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.381 6.533 -5.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.123 2.868 -3.275 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.451 5.317 -3.517 1.00 0.00 H new ATOM 439 N VAL A 27 -2.767 -1.474 -8.092 1.00 0.00 N ATOM 440 CA VAL A 27 -3.245 -2.834 -7.766 1.00 0.00 C ATOM 441 C VAL A 27 -2.165 -3.888 -8.015 1.00 0.00 C ATOM 442 O VAL A 27 -2.041 -4.812 -7.221 1.00 0.00 O ATOM 443 CB VAL A 27 -4.569 -3.252 -8.439 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.656 -2.203 -8.187 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.443 -3.559 -9.938 1.00 0.00 C ATOM 0 H VAL A 27 -3.230 -1.035 -8.888 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.468 -2.782 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.856 -4.194 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.582 -2.516 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.822 -2.101 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.339 -1.244 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.417 -3.845 -10.334 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.084 -2.673 -10.462 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.738 -4.377 -10.084 1.00 0.00 H new ATOM 455 N CYS A 28 -1.330 -3.723 -9.049 1.00 0.00 N ATOM 456 CA CYS A 28 -0.245 -4.668 -9.332 1.00 0.00 C ATOM 457 C CYS A 28 0.879 -4.577 -8.288 1.00 0.00 C ATOM 458 O CYS A 28 1.329 -5.601 -7.780 1.00 0.00 O ATOM 459 CB CYS A 28 0.246 -4.443 -10.763 1.00 0.00 C ATOM 460 SG CYS A 28 1.146 -5.853 -11.459 1.00 0.00 S ATOM 0 H CYS A 28 -1.386 -2.943 -9.703 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.620 -5.689 -9.256 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.610 -4.220 -11.400 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.893 -3.566 -10.781 1.00 0.00 H new ATOM 0 HG CYS A 28 2.270 -5.442 -11.968 1.00 0.00 H new ATOM 465 N LEU A 29 1.246 -3.356 -7.874 1.00 0.00 N ATOM 466 CA LEU A 29 2.150 -3.082 -6.750 1.00 0.00 C ATOM 467 C LEU A 29 1.624 -3.754 -5.479 1.00 0.00 C ATOM 468 O LEU A 29 2.333 -4.559 -4.885 1.00 0.00 O ATOM 469 CB LEU A 29 2.317 -1.551 -6.638 1.00 0.00 C ATOM 470 CG LEU A 29 3.219 -0.994 -5.515 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.508 0.483 -5.822 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.574 -1.058 -4.122 1.00 0.00 C ATOM 0 H LEU A 29 0.911 -2.506 -8.327 1.00 0.00 H new ATOM 0 HA LEU A 29 3.141 -3.508 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.708 -1.189 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.325 -1.116 -6.514 1.00 0.00 H new ATOM 0 HG LEU A 29 4.118 -1.610 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.145 0.899 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.015 0.562 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.570 1.037 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.263 -0.650 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.653 -0.474 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.347 -2.095 -3.873 1.00 0.00 H new ATOM 484 N VAL A 30 0.372 -3.489 -5.099 1.00 0.00 N ATOM 485 CA VAL A 30 -0.254 -4.079 -3.901 1.00 0.00 C ATOM 486 C VAL A 30 -0.302 -5.613 -3.977 1.00 0.00 C ATOM 487 O VAL A 30 -0.017 -6.281 -2.982 1.00 0.00 O ATOM 488 CB VAL A 30 -1.661 -3.481 -3.671 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.490 -4.276 -2.655 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.546 -2.028 -3.180 1.00 0.00 C ATOM 0 H VAL A 30 -0.243 -2.857 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 30 0.368 -3.825 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.173 -3.527 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.467 -3.807 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.619 -5.298 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.974 -4.288 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.543 -1.617 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.990 -2.004 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.023 -1.432 -3.927 1.00 0.00 H new ATOM 500 N GLU A 31 -0.598 -6.180 -5.152 1.00 0.00 N ATOM 501 CA GLU A 31 -0.621 -7.633 -5.361 1.00 0.00 C ATOM 502 C GLU A 31 0.757 -8.300 -5.198 1.00 0.00 C ATOM 503 O GLU A 31 0.836 -9.432 -4.721 1.00 0.00 O ATOM 504 CB GLU A 31 -1.191 -7.966 -6.750 1.00 0.00 C ATOM 505 CG GLU A 31 -2.721 -7.884 -6.768 1.00 0.00 C ATOM 506 CD GLU A 31 -3.337 -7.968 -8.168 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.659 -8.343 -9.150 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.559 -7.727 -8.277 1.00 0.00 O ATOM 0 H GLU A 31 -0.829 -5.643 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.265 -8.038 -4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.781 -7.276 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.877 -8.968 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.124 -8.691 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.029 -6.948 -6.303 1.00 0.00 H new ATOM 515 N HIS A 32 1.843 -7.600 -5.528 1.00 0.00 N ATOM 516 CA HIS A 32 3.216 -8.090 -5.353 1.00 0.00 C ATOM 517 C HIS A 32 3.860 -7.694 -4.004 1.00 0.00 C ATOM 518 O HIS A 32 4.859 -8.300 -3.605 1.00 0.00 O ATOM 519 CB HIS A 32 4.039 -7.627 -6.561 1.00 0.00 C ATOM 520 CG HIS A 32 3.791 -8.462 -7.791 1.00 0.00 C ATOM 521 ND1 HIS A 32 4.136 -9.810 -7.929 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.205 -8.039 -8.949 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.740 -10.163 -9.163 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.176 -9.121 -9.799 1.00 0.00 N ATOM 0 H HIS A 32 1.796 -6.664 -5.930 1.00 0.00 H new ATOM 0 HA HIS A 32 3.194 -9.179 -5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.801 -6.586 -6.780 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.099 -7.665 -6.309 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.835 -7.046 -9.158 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.858 -11.149 -9.587 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.794 -9.131 -10.745 1.00 0.00 H new ATOM 532 N GLU A 33 3.282 -6.727 -3.281 1.00 0.00 N ATOM 533 CA GLU A 33 3.695 -6.329 -1.931 1.00 0.00 C ATOM 534 C GLU A 33 2.990 -7.177 -0.854 1.00 0.00 C ATOM 535 O GLU A 33 3.645 -7.977 -0.188 1.00 0.00 O ATOM 536 CB GLU A 33 3.461 -4.821 -1.720 1.00 0.00 C ATOM 537 CG GLU A 33 4.494 -3.934 -2.433 1.00 0.00 C ATOM 538 CD GLU A 33 5.929 -4.137 -1.924 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.159 -4.101 -0.695 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.839 -4.307 -2.766 1.00 0.00 O ATOM 0 H GLU A 33 2.492 -6.185 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 33 4.764 -6.518 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.464 -4.563 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.483 -4.604 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.463 -4.142 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.215 -2.888 -2.303 1.00 0.00 H new ATOM 547 N SER A 34 1.671 -7.049 -0.674 1.00 0.00 N ATOM 548 CA SER A 34 0.906 -7.781 0.358 1.00 0.00 C ATOM 549 C SER A 34 0.018 -8.905 -0.200 1.00 0.00 C ATOM 550 O SER A 34 -0.519 -9.704 0.564 1.00 0.00 O ATOM 551 CB SER A 34 -0.011 -6.808 1.110 1.00 0.00 C ATOM 552 OG SER A 34 -1.001 -6.276 0.239 1.00 0.00 O ATOM 0 H SER A 34 1.093 -6.430 -1.243 1.00 0.00 H new ATOM 0 HA SER A 34 1.655 -8.234 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.491 -7.322 1.943 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.581 -5.997 1.535 1.00 0.00 H new ATOM 0 HG SER A 34 -0.920 -5.300 0.210 1.00 0.00 H new ATOM 558 N SER A 35 -0.178 -8.941 -1.520 1.00 0.00 N ATOM 559 CA SER A 35 -1.161 -9.792 -2.205 1.00 0.00 C ATOM 560 C SER A 35 -2.620 -9.429 -1.856 1.00 0.00 C ATOM 561 O SER A 35 -3.488 -10.303 -1.801 1.00 0.00 O ATOM 562 CB SER A 35 -0.855 -11.294 -2.063 1.00 0.00 C ATOM 563 OG SER A 35 0.480 -11.612 -2.448 1.00 0.00 O ATOM 0 H SER A 35 0.359 -8.361 -2.165 1.00 0.00 H new ATOM 0 HA SER A 35 -1.056 -9.573 -3.268 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.015 -11.599 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.553 -11.864 -2.675 1.00 0.00 H new ATOM 0 HG SER A 35 0.764 -11.013 -3.170 1.00 0.00 H new ATOM 569 N ARG A 36 -2.893 -8.128 -1.629 1.00 0.00 N ATOM 570 CA ARG A 36 -4.227 -7.558 -1.369 1.00 0.00 C ATOM 571 C ARG A 36 -4.766 -7.932 0.023 1.00 0.00 C ATOM 572 O ARG A 36 -5.977 -7.975 0.226 1.00 0.00 O ATOM 573 CB ARG A 36 -5.251 -7.897 -2.477 1.00 0.00 C ATOM 574 CG ARG A 36 -4.723 -7.758 -3.914 1.00 0.00 C ATOM 575 CD ARG A 36 -5.854 -7.816 -4.952 1.00 0.00 C ATOM 576 NE ARG A 36 -6.484 -9.148 -4.968 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.471 -10.060 -5.931 1.00 0.00 C ATOM 578 NH1 ARG A 36 -5.951 -9.848 -7.121 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.010 -11.236 -5.695 1.00 0.00 N ATOM 0 H ARG A 36 -2.160 -7.419 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.090 -6.477 -1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.597 -8.920 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.118 -7.247 -2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.188 -6.814 -4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.006 -8.554 -4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.603 -7.058 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.458 -7.584 -5.941 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.999 -9.403 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.530 -8.945 -7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.969 -10.587 -7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.427 -11.432 -4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.011 -11.952 -6.422 1.00 0.00 H new ATOM 593 N ASP A 37 -3.878 -8.187 0.985 1.00 0.00 N ATOM 594 CA ASP A 37 -4.199 -8.692 2.332 1.00 0.00 C ATOM 595 C ASP A 37 -3.772 -7.699 3.426 1.00 0.00 C ATOM 596 O ASP A 37 -2.578 -7.432 3.594 1.00 0.00 O ATOM 597 CB ASP A 37 -3.516 -10.058 2.523 1.00 0.00 C ATOM 598 CG ASP A 37 -3.786 -10.733 3.879 1.00 0.00 C ATOM 599 OD1 ASP A 37 -4.581 -10.208 4.694 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.163 -11.794 4.123 1.00 0.00 O ATOM 0 H ASP A 37 -2.877 -8.044 0.848 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.279 -8.808 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.846 -10.727 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.440 -9.930 2.405 1.00 0.00 H new ATOM 605 N THR A 38 -4.744 -7.141 4.168 1.00 0.00 N ATOM 606 CA THR A 38 -4.452 -6.170 5.241 1.00 0.00 C ATOM 607 C THR A 38 -3.796 -6.821 6.452 1.00 0.00 C ATOM 608 O THR A 38 -3.075 -6.143 7.173 1.00 0.00 O ATOM 609 CB THR A 38 -5.669 -5.373 5.728 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.654 -6.201 6.286 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.341 -4.552 4.640 1.00 0.00 C ATOM 0 H THR A 38 -5.736 -7.344 4.046 1.00 0.00 H new ATOM 0 HA THR A 38 -3.761 -5.473 4.766 1.00 0.00 H new ATOM 0 HB THR A 38 -5.254 -4.700 6.479 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.293 -5.655 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.192 -4.017 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.628 -3.836 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.685 -5.214 3.845 1.00 0.00 H new ATOM 619 N SER A 39 -3.981 -8.120 6.680 1.00 0.00 N ATOM 620 CA SER A 39 -3.430 -8.827 7.845 1.00 0.00 C ATOM 621 C SER A 39 -1.929 -9.148 7.707 1.00 0.00 C ATOM 622 O SER A 39 -1.322 -9.725 8.613 1.00 0.00 O ATOM 623 CB SER A 39 -4.212 -10.128 8.082 1.00 0.00 C ATOM 624 OG SER A 39 -5.572 -9.890 8.428 1.00 0.00 O ATOM 0 H SER A 39 -4.522 -8.721 6.058 1.00 0.00 H new ATOM 0 HA SER A 39 -3.535 -8.155 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.171 -10.742 7.182 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.732 -10.697 8.878 1.00 0.00 H new ATOM 0 HG SER A 39 -6.029 -10.746 8.567 1.00 0.00 H new ATOM 630 N LYS A 40 -1.313 -8.805 6.571 1.00 0.00 N ATOM 631 CA LYS A 40 0.054 -9.182 6.222 1.00 0.00 C ATOM 632 C LYS A 40 1.119 -8.326 6.942 1.00 0.00 C ATOM 633 O LYS A 40 0.972 -7.107 7.095 1.00 0.00 O ATOM 634 CB LYS A 40 0.173 -9.124 4.686 1.00 0.00 C ATOM 635 CG LYS A 40 1.228 -10.062 4.070 1.00 0.00 C ATOM 636 CD LYS A 40 0.621 -11.392 3.586 1.00 0.00 C ATOM 637 CE LYS A 40 0.084 -12.271 4.727 1.00 0.00 C ATOM 638 NZ LYS A 40 -0.806 -13.347 4.224 1.00 0.00 N ATOM 0 H LYS A 40 -1.767 -8.242 5.852 1.00 0.00 H new ATOM 0 HA LYS A 40 0.256 -10.195 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.799 -9.364 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.407 -8.100 4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.711 -9.560 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.003 -10.267 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.190 -11.180 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.379 -11.949 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.920 -12.714 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.462 -11.650 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.821 -14.132 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.769 -12.973 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.452 -13.691 3.308 1.00 0.00 H new ATOM 652 N THR A 41 2.220 -8.982 7.323 1.00 0.00 N ATOM 653 CA THR A 41 3.395 -8.418 8.013 1.00 0.00 C ATOM 654 C THR A 41 4.675 -9.115 7.570 1.00 0.00 C ATOM 655 O THR A 41 4.636 -10.290 7.205 1.00 0.00 O ATOM 656 CB THR A 41 3.299 -8.544 9.545 1.00 0.00 C ATOM 657 OG1 THR A 41 2.836 -9.828 9.909 1.00 0.00 O ATOM 658 CG2 THR A 41 2.402 -7.510 10.219 1.00 0.00 C ATOM 0 H THR A 41 2.325 -9.982 7.149 1.00 0.00 H new ATOM 0 HA THR A 41 3.417 -7.362 7.743 1.00 0.00 H new ATOM 0 HB THR A 41 4.315 -8.366 9.897 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.782 -9.892 10.885 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.398 -7.679 11.296 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.780 -6.509 10.010 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.387 -7.602 9.833 1.00 0.00 H new ATOM 666 N ASN A 42 5.814 -8.423 7.663 1.00 0.00 N ATOM 667 CA ASN A 42 7.128 -8.976 7.312 1.00 0.00 C ATOM 668 C ASN A 42 8.256 -8.326 8.134 1.00 0.00 C ATOM 669 O ASN A 42 8.402 -7.101 8.123 1.00 0.00 O ATOM 670 CB ASN A 42 7.348 -8.765 5.804 1.00 0.00 C ATOM 671 CG ASN A 42 6.956 -9.972 4.957 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.501 -11.060 5.106 1.00 0.00 O ATOM 673 ND2 ASN A 42 6.018 -9.813 4.037 1.00 0.00 N ATOM 0 H ASN A 42 5.852 -7.456 7.986 1.00 0.00 H new ATOM 0 HA ASN A 42 7.150 -10.040 7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.771 -7.900 5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.398 -8.533 5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.744 -10.598 3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.569 -8.905 3.918 1.00 0.00 H new ATOM 680 N THR A 43 9.050 -9.136 8.849 1.00 0.00 N ATOM 681 CA THR A 43 10.185 -8.691 9.685 1.00 0.00 C ATOM 682 C THR A 43 11.449 -8.573 8.836 1.00 0.00 C ATOM 683 O THR A 43 11.660 -9.357 7.912 1.00 0.00 O ATOM 684 CB THR A 43 10.397 -9.640 10.873 1.00 0.00 C ATOM 685 OG1 THR A 43 9.161 -9.822 11.531 1.00 0.00 O ATOM 686 CG2 THR A 43 11.383 -9.077 11.903 1.00 0.00 C ATOM 0 H THR A 43 8.921 -10.148 8.865 1.00 0.00 H new ATOM 0 HA THR A 43 9.954 -7.706 10.091 1.00 0.00 H new ATOM 0 HB THR A 43 10.800 -10.572 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.281 -10.428 12.292 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.498 -9.786 12.723 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.350 -8.912 11.428 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.003 -8.132 12.292 1.00 0.00 H new ATOM 694 N ASN A 44 12.286 -7.585 9.150 1.00 0.00 N ATOM 695 CA ASN A 44 13.451 -7.170 8.360 1.00 0.00 C ATOM 696 C ASN A 44 14.764 -7.347 9.144 1.00 0.00 C ATOM 697 O ASN A 44 14.771 -7.376 10.377 1.00 0.00 O ATOM 698 CB ASN A 44 13.263 -5.701 7.927 1.00 0.00 C ATOM 699 CG ASN A 44 11.964 -5.490 7.154 1.00 0.00 C ATOM 700 OD1 ASN A 44 11.909 -5.612 5.937 1.00 0.00 O ATOM 701 ND2 ASN A 44 10.883 -5.188 7.851 1.00 0.00 N ATOM 0 H ASN A 44 12.169 -7.027 9.996 1.00 0.00 H new ATOM 0 HA ASN A 44 13.523 -7.807 7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.267 -5.061 8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.106 -5.396 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.991 -5.054 7.376 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.941 -5.089 8.865 1.00 0.00 H new ATOM 708 N ARG A 45 15.896 -7.407 8.429 1.00 0.00 N ATOM 709 CA ARG A 45 17.240 -7.627 9.007 1.00 0.00 C ATOM 710 C ARG A 45 17.692 -6.511 9.966 1.00 0.00 C ATOM 711 O ARG A 45 18.508 -6.744 10.859 1.00 0.00 O ATOM 712 CB ARG A 45 18.285 -7.803 7.890 1.00 0.00 C ATOM 713 CG ARG A 45 17.927 -8.951 6.932 1.00 0.00 C ATOM 714 CD ARG A 45 19.035 -9.233 5.907 1.00 0.00 C ATOM 715 NE ARG A 45 20.233 -9.825 6.535 1.00 0.00 N ATOM 716 CZ ARG A 45 21.398 -10.062 5.942 1.00 0.00 C ATOM 717 NH1 ARG A 45 21.607 -9.776 4.672 1.00 0.00 N ATOM 718 NH2 ARG A 45 22.382 -10.600 6.629 1.00 0.00 N ATOM 0 H ARG A 45 15.909 -7.303 7.414 1.00 0.00 H new ATOM 0 HA ARG A 45 17.163 -8.539 9.599 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.370 -6.875 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.261 -7.995 8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.734 -9.855 7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.004 -8.706 6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.656 -9.909 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.310 -8.305 5.406 1.00 0.00 H new ATOM 0 HE ARG A 45 20.159 -10.077 7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.862 -9.360 4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.514 -9.971 4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.249 -10.834 7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.278 -10.784 6.178 1.00 0.00 H new ATOM 732 N ASN A 46 17.122 -5.312 9.815 1.00 0.00 N ATOM 733 CA ASN A 46 17.339 -4.152 10.693 1.00 0.00 C ATOM 734 C ASN A 46 16.562 -4.230 12.035 1.00 0.00 C ATOM 735 O ASN A 46 16.766 -3.397 12.920 1.00 0.00 O ATOM 736 CB ASN A 46 16.988 -2.889 9.879 1.00 0.00 C ATOM 737 CG ASN A 46 17.430 -1.586 10.542 1.00 0.00 C ATOM 738 OD1 ASN A 46 16.618 -0.778 10.976 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.725 -1.335 10.630 1.00 0.00 N ATOM 0 H ASN A 46 16.474 -5.113 9.053 1.00 0.00 H new ATOM 0 HA ASN A 46 18.384 -4.128 11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.452 -2.961 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.910 -2.858 9.721 1.00 0.00 H new ATOM 0 HD21 ASN A 46 19.048 -0.468 11.059 1.00 0.00 H new ATOM 0 HD22 ASN A 46 19.401 -2.008 10.268 1.00 0.00 H new ATOM 746 N GLY A 47 15.670 -5.219 12.205 1.00 0.00 N ATOM 747 CA GLY A 47 14.862 -5.448 13.417 1.00 0.00 C ATOM 748 C GLY A 47 13.502 -4.741 13.424 1.00 0.00 C ATOM 749 O GLY A 47 12.761 -4.841 14.399 1.00 0.00 O ATOM 0 H GLY A 47 15.484 -5.908 11.476 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.700 -6.520 13.532 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.432 -5.118 14.285 1.00 0.00 H new ATOM 753 N SER A 48 13.164 -4.032 12.351 1.00 0.00 N ATOM 754 CA SER A 48 11.842 -3.441 12.110 1.00 0.00 C ATOM 755 C SER A 48 10.898 -4.422 11.394 1.00 0.00 C ATOM 756 O SER A 48 11.327 -5.404 10.778 1.00 0.00 O ATOM 757 CB SER A 48 12.013 -2.160 11.284 1.00 0.00 C ATOM 758 OG SER A 48 12.721 -2.413 10.072 1.00 0.00 O ATOM 0 H SER A 48 13.823 -3.844 11.596 1.00 0.00 H new ATOM 0 HA SER A 48 11.386 -3.206 13.072 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.034 -1.740 11.054 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.549 -1.415 11.872 1.00 0.00 H new ATOM 0 HG SER A 48 12.813 -1.578 9.566 1.00 0.00 H new ATOM 764 N LYS A 49 9.595 -4.142 11.431 1.00 0.00 N ATOM 765 CA LYS A 49 8.553 -4.915 10.752 1.00 0.00 C ATOM 766 C LYS A 49 7.711 -4.015 9.835 1.00 0.00 C ATOM 767 O LYS A 49 7.501 -2.828 10.098 1.00 0.00 O ATOM 768 CB LYS A 49 7.707 -5.667 11.799 1.00 0.00 C ATOM 769 CG LYS A 49 6.952 -6.877 11.224 1.00 0.00 C ATOM 770 CD LYS A 49 6.009 -7.553 12.230 1.00 0.00 C ATOM 771 CE LYS A 49 6.747 -8.039 13.484 1.00 0.00 C ATOM 772 NZ LYS A 49 5.856 -8.819 14.383 1.00 0.00 N ATOM 0 H LYS A 49 9.223 -3.347 11.950 1.00 0.00 H new ATOM 0 HA LYS A 49 9.012 -5.660 10.102 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.358 -6.005 12.606 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.988 -4.975 12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.374 -6.555 10.358 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.676 -7.610 10.869 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.227 -6.851 12.520 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.516 -8.399 11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.596 -8.656 13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.148 -7.182 14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.392 -9.130 15.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.059 -8.223 14.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.493 -9.651 13.876 1.00 0.00 H new ATOM 786 N ASP A 50 7.254 -4.602 8.734 1.00 0.00 N ATOM 787 CA ASP A 50 6.294 -4.029 7.796 1.00 0.00 C ATOM 788 C ASP A 50 4.870 -4.504 8.120 1.00 0.00 C ATOM 789 O ASP A 50 4.693 -5.599 8.652 1.00 0.00 O ATOM 790 CB ASP A 50 6.786 -4.252 6.348 1.00 0.00 C ATOM 791 CG ASP A 50 6.149 -5.323 5.456 1.00 0.00 C ATOM 792 OD1 ASP A 50 4.955 -5.661 5.604 1.00 0.00 O ATOM 793 OD2 ASP A 50 6.884 -5.773 4.546 1.00 0.00 O ATOM 0 H ASP A 50 7.558 -5.536 8.458 1.00 0.00 H new ATOM 0 HA ASP A 50 6.231 -2.946 7.902 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.686 -3.300 5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.852 -4.474 6.403 1.00 0.00 H new ATOM 798 N TYR A 51 3.877 -3.662 7.832 1.00 0.00 N ATOM 799 CA TYR A 51 2.472 -3.835 8.213 1.00 0.00 C ATOM 800 C TYR A 51 1.494 -3.349 7.127 1.00 0.00 C ATOM 801 O TYR A 51 1.726 -2.338 6.455 1.00 0.00 O ATOM 802 CB TYR A 51 2.204 -3.032 9.497 1.00 0.00 C ATOM 803 CG TYR A 51 2.983 -3.453 10.726 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.277 -2.946 10.943 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.382 -4.272 11.699 1.00 0.00 C ATOM 806 CE1 TYR A 51 4.972 -3.265 12.121 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.071 -4.594 12.885 1.00 0.00 C ATOM 808 CZ TYR A 51 4.373 -4.087 13.101 1.00 0.00 C ATOM 809 OH TYR A 51 5.049 -4.381 14.248 1.00 0.00 O ATOM 0 H TYR A 51 4.035 -2.804 7.304 1.00 0.00 H new ATOM 0 HA TYR A 51 2.305 -4.902 8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.422 -1.983 9.296 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.141 -3.098 9.727 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.737 -2.310 10.202 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.386 -4.656 11.536 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.969 -2.880 12.278 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.606 -5.226 13.627 1.00 0.00 H new ATOM 0 HH TYR A 51 4.495 -4.956 14.816 1.00 0.00 H new ATOM 819 N GLY A 52 0.360 -4.041 6.987 1.00 0.00 N ATOM 820 CA GLY A 52 -0.774 -3.592 6.174 1.00 0.00 C ATOM 821 C GLY A 52 -0.599 -3.776 4.670 1.00 0.00 C ATOM 822 O GLY A 52 0.406 -4.299 4.185 1.00 0.00 O ATOM 0 H GLY A 52 0.201 -4.941 7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.666 -4.133 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.953 -2.536 6.378 1.00 0.00 H new ATOM 826 N LEU A 53 -1.590 -3.302 3.913 1.00 0.00 N ATOM 827 CA LEU A 53 -1.731 -3.583 2.480 1.00 0.00 C ATOM 828 C LEU A 53 -0.598 -3.062 1.585 1.00 0.00 C ATOM 829 O LEU A 53 -0.313 -3.652 0.545 1.00 0.00 O ATOM 830 CB LEU A 53 -3.073 -2.987 2.009 1.00 0.00 C ATOM 831 CG LEU A 53 -3.694 -3.820 0.878 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.572 -4.915 1.466 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.575 -2.985 -0.035 1.00 0.00 C ATOM 0 H LEU A 53 -2.329 -2.703 4.282 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.688 -4.667 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.766 -2.939 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.917 -1.964 1.666 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.864 -4.231 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.010 -5.503 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.969 -5.563 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.367 -4.464 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.991 -3.619 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.386 -2.545 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.981 -2.191 -0.488 1.00 0.00 H new ATOM 845 N PHE A 54 0.072 -1.992 2.009 1.00 0.00 N ATOM 846 CA PHE A 54 1.207 -1.400 1.299 1.00 0.00 C ATOM 847 C PHE A 54 2.546 -1.771 1.961 1.00 0.00 C ATOM 848 O PHE A 54 3.565 -1.177 1.618 1.00 0.00 O ATOM 849 CB PHE A 54 0.995 0.118 1.190 1.00 0.00 C ATOM 850 CG PHE A 54 -0.251 0.527 0.423 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.495 0.568 1.076 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.172 0.868 -0.941 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.655 0.936 0.379 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.332 1.255 -1.636 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.574 1.286 -0.980 1.00 0.00 C ATOM 0 H PHE A 54 -0.163 -1.502 2.872 1.00 0.00 H new ATOM 0 HA PHE A 54 1.259 -1.809 0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.942 0.538 2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.866 0.560 0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.558 0.314 2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.778 0.832 -1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.609 0.950 0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.268 1.530 -2.679 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.464 1.578 -1.518 1.00 0.00 H new ATOM 865 N GLN A 55 2.546 -2.725 2.908 1.00 0.00 N ATOM 866 CA GLN A 55 3.743 -3.263 3.567 1.00 0.00 C ATOM 867 C GLN A 55 4.580 -2.122 4.189 1.00 0.00 C ATOM 868 O GLN A 55 5.761 -1.935 3.886 1.00 0.00 O ATOM 869 CB GLN A 55 4.532 -4.141 2.572 1.00 0.00 C ATOM 870 CG GLN A 55 3.782 -5.372 2.028 1.00 0.00 C ATOM 871 CD GLN A 55 3.434 -6.447 3.063 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.112 -7.459 3.221 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.322 -6.319 3.761 1.00 0.00 N ATOM 0 H GLN A 55 1.684 -3.155 3.245 1.00 0.00 H new ATOM 0 HA GLN A 55 3.457 -3.908 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.834 -3.520 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.445 -4.481 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.859 -5.034 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.389 -5.829 1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.742 -5.488 3.648 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.043 -7.051 4.414 1.00 0.00 H new ATOM 882 N ILE A 56 3.931 -1.289 5.009 1.00 0.00 N ATOM 883 CA ILE A 56 4.476 -0.029 5.538 1.00 0.00 C ATOM 884 C ILE A 56 5.276 -0.300 6.819 1.00 0.00 C ATOM 885 O ILE A 56 4.791 -0.991 7.711 1.00 0.00 O ATOM 886 CB ILE A 56 3.336 0.996 5.781 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.374 1.073 4.569 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.950 2.371 6.047 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.280 2.149 4.645 1.00 0.00 C ATOM 0 H ILE A 56 2.983 -1.476 5.334 1.00 0.00 H new ATOM 0 HA ILE A 56 5.155 0.404 4.803 1.00 0.00 H new ATOM 0 HB ILE A 56 2.755 0.671 6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.966 1.248 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.893 0.102 4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.155 3.097 6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.591 2.319 6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.542 2.678 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.668 2.110 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.653 1.969 5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.742 3.133 4.727 1.00 0.00 H new ATOM 901 N ASN A 57 6.496 0.233 6.924 1.00 0.00 N ATOM 902 CA ASN A 57 7.436 -0.124 7.993 1.00 0.00 C ATOM 903 C ASN A 57 7.405 0.856 9.182 1.00 0.00 C ATOM 904 O ASN A 57 7.337 2.079 9.002 1.00 0.00 O ATOM 905 CB ASN A 57 8.834 -0.261 7.376 1.00 0.00 C ATOM 906 CG ASN A 57 9.872 -0.795 8.357 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.280 -0.106 9.280 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.346 -2.013 8.179 1.00 0.00 N ATOM 0 H ASN A 57 6.862 0.925 6.270 1.00 0.00 H new ATOM 0 HA ASN A 57 7.134 -1.077 8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.781 -0.927 6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.159 0.712 7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.055 -2.382 8.813 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.004 -2.586 7.408 1.00 0.00 H new ATOM 915 N ASP A 58 7.504 0.305 10.397 1.00 0.00 N ATOM 916 CA ASP A 58 7.424 1.030 11.679 1.00 0.00 C ATOM 917 C ASP A 58 8.527 2.079 11.943 1.00 0.00 C ATOM 918 O ASP A 58 8.445 2.855 12.900 1.00 0.00 O ATOM 919 CB ASP A 58 7.361 0.039 12.848 1.00 0.00 C ATOM 920 CG ASP A 58 8.712 -0.604 13.224 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.531 0.040 13.920 1.00 0.00 O ATOM 922 OD2 ASP A 58 8.929 -1.784 12.873 1.00 0.00 O ATOM 0 H ASP A 58 7.648 -0.697 10.524 1.00 0.00 H new ATOM 0 HA ASP A 58 6.505 1.610 11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.964 0.555 13.722 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.655 -0.753 12.597 1.00 0.00 H new ATOM 927 N ARG A 59 9.561 2.091 11.099 1.00 0.00 N ATOM 928 CA ARG A 59 10.757 2.930 11.213 1.00 0.00 C ATOM 929 C ARG A 59 10.822 4.024 10.133 1.00 0.00 C ATOM 930 O ARG A 59 11.775 4.803 10.091 1.00 0.00 O ATOM 931 CB ARG A 59 11.961 1.976 11.184 1.00 0.00 C ATOM 932 CG ARG A 59 13.242 2.557 11.800 1.00 0.00 C ATOM 933 CD ARG A 59 14.204 1.442 12.236 1.00 0.00 C ATOM 934 NE ARG A 59 13.674 0.709 13.404 1.00 0.00 N ATOM 935 CZ ARG A 59 14.166 -0.406 13.930 1.00 0.00 C ATOM 936 NH1 ARG A 59 15.226 -0.998 13.430 1.00 0.00 N ATOM 937 NH2 ARG A 59 13.579 -0.950 14.974 1.00 0.00 N ATOM 0 H ARG A 59 9.589 1.487 10.278 1.00 0.00 H new ATOM 0 HA ARG A 59 10.746 3.494 12.146 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.698 1.062 11.716 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.163 1.696 10.150 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.736 3.204 11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.987 3.177 12.659 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.362 0.750 11.409 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.175 1.871 12.482 1.00 0.00 H new ATOM 0 HE ARG A 59 12.845 1.100 13.852 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.695 -0.602 12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.581 -1.854 13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.749 -0.515 15.376 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.954 -1.807 15.381 1.00 0.00 H new ATOM 951 N TYR A 60 9.805 4.092 9.265 1.00 0.00 N ATOM 952 CA TYR A 60 9.782 4.949 8.069 1.00 0.00 C ATOM 953 C TYR A 60 8.510 5.803 7.919 1.00 0.00 C ATOM 954 O TYR A 60 8.624 6.987 7.592 1.00 0.00 O ATOM 955 CB TYR A 60 9.950 4.068 6.819 1.00 0.00 C ATOM 956 CG TYR A 60 11.338 3.489 6.612 1.00 0.00 C ATOM 957 CD1 TYR A 60 11.777 2.396 7.381 1.00 0.00 C ATOM 958 CD2 TYR A 60 12.189 4.041 5.636 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.073 1.874 7.208 1.00 0.00 C ATOM 960 CE2 TYR A 60 13.485 3.522 5.447 1.00 0.00 C ATOM 961 CZ TYR A 60 13.934 2.438 6.238 1.00 0.00 C ATOM 962 OH TYR A 60 15.187 1.932 6.069 1.00 0.00 O ATOM 0 H TYR A 60 8.954 3.540 9.376 1.00 0.00 H new ATOM 0 HA TYR A 60 10.606 5.654 8.183 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.237 3.246 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.686 4.658 5.941 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.114 1.954 8.110 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.847 4.866 5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.409 1.046 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.135 3.951 4.699 1.00 0.00 H new ATOM 0 HH TYR A 60 15.649 2.431 5.363 1.00 0.00 H new ATOM 972 N TRP A 61 7.318 5.243 8.174 1.00 0.00 N ATOM 973 CA TRP A 61 6.041 5.892 7.815 1.00 0.00 C ATOM 974 C TRP A 61 4.893 5.659 8.812 1.00 0.00 C ATOM 975 O TRP A 61 4.121 6.582 9.064 1.00 0.00 O ATOM 976 CB TRP A 61 5.637 5.393 6.424 1.00 0.00 C ATOM 977 CG TRP A 61 6.626 5.556 5.310 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.257 4.544 4.672 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.104 6.784 4.679 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.082 5.056 3.688 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.027 6.433 3.647 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.839 8.158 4.864 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.649 7.394 2.835 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.462 9.130 4.060 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.362 8.754 3.046 1.00 0.00 C ATOM 0 H TRP A 61 7.208 4.337 8.630 1.00 0.00 H new ATOM 0 HA TRP A 61 6.212 6.968 7.835 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.395 4.333 6.505 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.720 5.908 6.136 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.135 3.495 4.897 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.659 4.486 3.070 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.148 8.468 5.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.338 7.093 2.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.247 10.176 4.223 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.831 9.508 2.431 1.00 0.00 H new ATOM 996 N CYS A 62 4.789 4.466 9.410 1.00 0.00 N ATOM 997 CA CYS A 62 3.900 4.180 10.550 1.00 0.00 C ATOM 998 C CYS A 62 4.699 3.964 11.844 1.00 0.00 C ATOM 999 O CYS A 62 5.918 3.846 11.816 1.00 0.00 O ATOM 1000 CB CYS A 62 3.002 2.976 10.243 1.00 0.00 C ATOM 1001 SG CYS A 62 3.857 1.531 9.567 1.00 0.00 S ATOM 0 H CYS A 62 5.330 3.654 9.111 1.00 0.00 H new ATOM 0 HA CYS A 62 3.261 5.049 10.706 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.491 2.680 11.160 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.233 3.287 9.536 1.00 0.00 H new ATOM 0 HG CYS A 62 3.045 0.516 9.548 1.00 0.00 H new ATOM 1006 N SER A 63 4.022 3.940 12.988 1.00 0.00 N ATOM 1007 CA SER A 63 4.629 3.749 14.315 1.00 0.00 C ATOM 1008 C SER A 63 4.098 2.498 15.026 1.00 0.00 C ATOM 1009 O SER A 63 2.900 2.220 14.985 1.00 0.00 O ATOM 1010 CB SER A 63 4.326 4.968 15.185 1.00 0.00 C ATOM 1011 OG SER A 63 5.405 5.205 16.074 1.00 0.00 O ATOM 0 H SER A 63 3.009 4.055 13.026 1.00 0.00 H new ATOM 0 HA SER A 63 5.702 3.624 14.168 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.162 5.843 14.556 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.408 4.804 15.749 1.00 0.00 H new ATOM 0 HG SER A 63 5.206 5.989 16.628 1.00 0.00 H new ATOM 1017 N LYS A 64 4.975 1.745 15.692 1.00 0.00 N ATOM 1018 CA LYS A 64 4.631 0.462 16.341 1.00 0.00 C ATOM 1019 C LYS A 64 4.202 0.560 17.817 1.00 0.00 C ATOM 1020 O LYS A 64 3.774 -0.443 18.395 1.00 0.00 O ATOM 1021 CB LYS A 64 5.812 -0.521 16.229 1.00 0.00 C ATOM 1022 CG LYS A 64 7.128 0.019 16.834 1.00 0.00 C ATOM 1023 CD LYS A 64 8.033 -1.081 17.409 1.00 0.00 C ATOM 1024 CE LYS A 64 8.214 -2.242 16.427 1.00 0.00 C ATOM 1025 NZ LYS A 64 9.158 -3.267 16.944 1.00 0.00 N ATOM 0 H LYS A 64 5.955 2.004 15.802 1.00 0.00 H new ATOM 0 HA LYS A 64 3.755 0.106 15.798 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.547 -1.452 16.730 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.976 -0.760 15.178 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.675 0.564 16.065 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.890 0.733 17.623 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.007 -0.658 17.655 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.604 -1.455 18.339 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.247 -2.706 16.232 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.581 -1.858 15.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.252 -4.035 16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.088 -2.832 17.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.795 -3.653 17.839 1.00 0.00 H new ATOM 1039 N GLY A 65 4.372 1.729 18.442 1.00 0.00 N ATOM 1040 CA GLY A 65 4.222 1.906 19.891 1.00 0.00 C ATOM 1041 C GLY A 65 2.763 1.999 20.348 1.00 0.00 C ATOM 1042 O GLY A 65 1.850 1.533 19.666 1.00 0.00 O ATOM 0 H GLY A 65 4.620 2.588 17.952 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.702 1.072 20.402 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.748 2.811 20.195 1.00 0.00 H new ATOM 1046 N ALA A 66 2.533 2.622 21.506 1.00 0.00 N ATOM 1047 CA ALA A 66 1.196 2.806 22.092 1.00 0.00 C ATOM 1048 C ALA A 66 0.376 3.951 21.453 1.00 0.00 C ATOM 1049 O ALA A 66 -0.747 4.221 21.876 1.00 0.00 O ATOM 1050 CB ALA A 66 1.371 2.995 23.606 1.00 0.00 C ATOM 0 H ALA A 66 3.280 3.021 22.075 1.00 0.00 H new ATOM 0 HA ALA A 66 0.603 1.916 21.882 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.395 3.134 24.071 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.852 2.113 24.030 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.991 3.872 23.794 1.00 0.00 H new ATOM 1056 N SER A 67 0.917 4.632 20.440 1.00 0.00 N ATOM 1057 CA SER A 67 0.326 5.796 19.757 1.00 0.00 C ATOM 1058 C SER A 67 0.959 6.008 18.363 1.00 0.00 C ATOM 1059 O SER A 67 2.095 5.567 18.143 1.00 0.00 O ATOM 1060 CB SER A 67 0.531 7.064 20.610 1.00 0.00 C ATOM 1061 OG SER A 67 -0.413 7.152 21.669 1.00 0.00 O ATOM 0 H SER A 67 1.825 4.377 20.051 1.00 0.00 H new ATOM 0 HA SER A 67 -0.739 5.605 19.627 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.540 7.064 21.023 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.446 7.946 19.975 1.00 0.00 H new ATOM 0 HG SER A 67 -0.791 6.265 21.845 1.00 0.00 H new ATOM 1067 N PRO A 68 0.260 6.685 17.424 1.00 0.00 N ATOM 1068 CA PRO A 68 0.833 7.132 16.154 1.00 0.00 C ATOM 1069 C PRO A 68 1.872 8.243 16.386 1.00 0.00 C ATOM 1070 O PRO A 68 1.887 8.882 17.442 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.358 7.636 15.334 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.327 8.145 16.396 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.119 7.154 17.540 1.00 0.00 C ATOM 0 HA PRO A 68 1.363 6.333 15.636 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.065 8.428 14.645 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.800 6.839 14.735 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.097 9.167 16.698 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.357 8.142 16.040 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.288 7.632 18.505 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.821 6.323 17.468 1.00 0.00 H new ATOM 1081 N GLY A 69 2.740 8.488 15.396 1.00 0.00 N ATOM 1082 CA GLY A 69 3.829 9.470 15.531 1.00 0.00 C ATOM 1083 C GLY A 69 4.927 9.330 14.484 1.00 0.00 C ATOM 1084 O GLY A 69 6.026 8.865 14.785 1.00 0.00 O ATOM 0 H GLY A 69 2.711 8.020 14.490 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.408 10.474 15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.272 9.371 16.522 1.00 0.00 H new ATOM 1088 N LYS A 70 4.610 9.748 13.257 1.00 0.00 N ATOM 1089 CA LYS A 70 5.468 9.749 12.058 1.00 0.00 C ATOM 1090 C LYS A 70 5.019 10.851 11.078 1.00 0.00 C ATOM 1091 O LYS A 70 4.033 11.545 11.328 1.00 0.00 O ATOM 1092 CB LYS A 70 5.397 8.369 11.361 1.00 0.00 C ATOM 1093 CG LYS A 70 6.038 7.190 12.094 1.00 0.00 C ATOM 1094 CD LYS A 70 7.554 7.304 12.304 1.00 0.00 C ATOM 1095 CE LYS A 70 8.112 6.123 13.112 1.00 0.00 C ATOM 1096 NZ LYS A 70 7.785 6.216 14.561 1.00 0.00 N ATOM 0 H LYS A 70 3.683 10.122 13.055 1.00 0.00 H new ATOM 0 HA LYS A 70 6.495 9.947 12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.348 8.130 11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.870 8.458 10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.559 7.082 13.067 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.831 6.278 11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.052 7.348 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.779 8.236 12.822 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.711 5.192 12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.194 6.083 12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.552 5.788 15.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.678 7.215 14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.896 5.710 14.749 1.00 0.00 H new ATOM 1110 N ASP A 71 5.677 10.947 9.920 1.00 0.00 N ATOM 1111 CA ASP A 71 5.285 11.837 8.811 1.00 0.00 C ATOM 1112 C ASP A 71 3.826 11.626 8.363 1.00 0.00 C ATOM 1113 O ASP A 71 3.131 12.590 8.044 1.00 0.00 O ATOM 1114 CB ASP A 71 6.242 11.615 7.628 1.00 0.00 C ATOM 1115 CG ASP A 71 5.885 12.482 6.411 1.00 0.00 C ATOM 1116 OD1 ASP A 71 6.081 13.719 6.460 1.00 0.00 O ATOM 1117 OD2 ASP A 71 5.436 11.931 5.382 1.00 0.00 O ATOM 0 H ASP A 71 6.514 10.400 9.718 1.00 0.00 H new ATOM 0 HA ASP A 71 5.353 12.864 9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.261 11.839 7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.221 10.564 7.340 1.00 0.00 H new ATOM 1122 N CYS A 72 3.341 10.380 8.395 1.00 0.00 N ATOM 1123 CA CYS A 72 1.971 10.017 8.004 1.00 0.00 C ATOM 1124 C CYS A 72 0.994 9.893 9.190 1.00 0.00 C ATOM 1125 O CYS A 72 -0.183 9.610 8.972 1.00 0.00 O ATOM 1126 CB CYS A 72 2.029 8.747 7.151 1.00 0.00 C ATOM 1127 SG CYS A 72 3.077 8.910 5.677 1.00 0.00 S ATOM 0 H CYS A 72 3.897 9.581 8.698 1.00 0.00 H new ATOM 0 HA CYS A 72 1.557 10.835 7.414 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.401 7.925 7.762 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.019 8.481 6.841 1.00 0.00 H new ATOM 0 HG CYS A 72 4.216 8.320 5.887 1.00 0.00 H new ATOM 1132 N ASN A 73 1.455 10.116 10.432 1.00 0.00 N ATOM 1133 CA ASN A 73 0.627 10.245 11.644 1.00 0.00 C ATOM 1134 C ASN A 73 -0.332 9.050 11.852 1.00 0.00 C ATOM 1135 O ASN A 73 -1.534 9.221 12.061 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.081 11.616 11.653 1.00 0.00 C ATOM 1137 CG ASN A 73 0.906 12.772 11.790 1.00 0.00 C ATOM 1138 OD1 ASN A 73 1.401 13.056 12.875 1.00 0.00 O ATOM 1139 ND2 ASN A 73 1.211 13.473 10.712 1.00 0.00 N ATOM 0 H ASN A 73 2.451 10.215 10.627 1.00 0.00 H new ATOM 0 HA ASN A 73 1.285 10.209 12.512 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.652 11.735 10.732 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.794 11.650 12.477 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.862 14.256 10.780 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.796 13.231 9.812 1.00 0.00 H new ATOM 1146 N VAL A 74 0.210 7.829 11.773 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.558 6.574 11.746 1.00 0.00 C ATOM 1148 C VAL A 74 0.210 5.433 12.424 1.00 0.00 C ATOM 1149 O VAL A 74 1.437 5.356 12.354 1.00 0.00 O ATOM 1150 CB VAL A 74 -0.980 6.239 10.294 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.212 5.904 9.381 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.009 5.103 10.257 1.00 0.00 C ATOM 0 H VAL A 74 1.218 7.680 11.725 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.471 6.705 12.327 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.440 7.147 9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.150 5.679 8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.889 6.757 9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.743 5.039 9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.283 4.894 9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.579 4.208 10.707 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.897 5.399 10.815 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.524 4.561 13.114 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.002 3.431 13.887 1.00 0.00 C ATOM 1164 C LYS A 75 -0.059 2.122 13.074 1.00 0.00 C ATOM 1165 O LYS A 75 -1.072 1.821 12.447 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.820 3.351 15.190 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.065 2.690 16.351 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.801 2.811 17.698 1.00 0.00 C ATOM 1169 CE LYS A 75 -1.951 1.816 17.921 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.277 2.332 17.484 1.00 0.00 N ATOM 0 H LYS A 75 -1.541 4.624 13.152 1.00 0.00 H new ATOM 0 HA LYS A 75 1.051 3.579 14.125 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.115 4.358 15.486 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.737 2.793 15.000 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.090 1.636 16.122 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.921 3.145 16.441 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.075 2.684 18.501 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.198 3.822 17.784 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.733 0.894 17.381 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.000 1.561 18.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.031 1.758 17.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.381 3.322 17.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.346 2.278 16.448 1.00 0.00 H new ATOM 1184 N CYS A 76 1.011 1.322 13.108 1.00 0.00 N ATOM 1185 CA CYS A 76 1.146 0.022 12.425 1.00 0.00 C ATOM 1186 C CYS A 76 -0.046 -0.930 12.633 1.00 0.00 C ATOM 1187 O CYS A 76 -0.448 -1.628 11.708 1.00 0.00 O ATOM 1188 CB CYS A 76 2.411 -0.663 12.954 1.00 0.00 C ATOM 1189 SG CYS A 76 3.953 0.216 12.641 1.00 0.00 S ATOM 0 H CYS A 76 1.848 1.570 13.636 1.00 0.00 H new ATOM 0 HA CYS A 76 1.192 0.230 11.356 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.305 -0.804 14.030 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.481 -1.655 12.508 1.00 0.00 H new ATOM 0 HG CYS A 76 3.942 0.694 11.432 1.00 0.00 H new ATOM 1194 N SER A 77 -0.633 -0.945 13.833 1.00 0.00 N ATOM 1195 CA SER A 77 -1.769 -1.821 14.163 1.00 0.00 C ATOM 1196 C SER A 77 -3.074 -1.411 13.450 1.00 0.00 C ATOM 1197 O SER A 77 -3.852 -2.275 13.041 1.00 0.00 O ATOM 1198 CB SER A 77 -1.960 -1.851 15.687 1.00 0.00 C ATOM 1199 OG SER A 77 -2.833 -2.898 16.084 1.00 0.00 O ATOM 0 H SER A 77 -0.336 -0.350 14.607 1.00 0.00 H new ATOM 0 HA SER A 77 -1.533 -2.821 13.800 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.993 -1.979 16.173 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.361 -0.895 16.023 1.00 0.00 H new ATOM 0 HG SER A 77 -2.931 -2.890 17.059 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.298 -0.110 13.199 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.471 0.366 12.448 1.00 0.00 C ATOM 1207 C ASP A 78 -4.418 -0.005 10.955 1.00 0.00 C ATOM 1208 O ASP A 78 -5.450 -0.008 10.279 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.639 1.880 12.626 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.113 2.239 14.040 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.344 2.238 14.280 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.253 2.521 14.905 1.00 0.00 O ATOM 0 H ASP A 78 -2.676 0.636 13.509 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.341 -0.144 12.862 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.690 2.377 12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.357 2.254 11.896 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.239 -0.386 10.447 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.053 -0.866 9.074 1.00 0.00 C ATOM 1219 C LEU A 79 -3.523 -2.322 8.888 1.00 0.00 C ATOM 1220 O LEU A 79 -3.677 -2.765 7.750 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.577 -0.717 8.650 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.879 0.615 8.993 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.516 0.607 8.360 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.647 1.843 8.499 1.00 0.00 C ATOM 0 H LEU A 79 -2.375 -0.369 10.988 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.677 -0.246 8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.009 -1.525 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.519 -0.862 7.571 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.829 0.690 10.079 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.026 1.542 8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.091 -0.229 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.424 0.502 7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.103 2.747 8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.750 1.796 7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.636 1.862 8.957 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.771 -3.052 9.988 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.181 -4.466 10.000 1.00 0.00 C ATOM 1238 C LEU A 80 -5.708 -4.659 10.114 1.00 0.00 C ATOM 1239 O LEU A 80 -6.181 -5.790 10.277 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.443 -5.214 11.128 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.905 -5.104 11.129 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.364 -5.917 12.317 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.265 -5.592 9.822 1.00 0.00 C ATOM 0 H LEU A 80 -3.689 -2.660 10.926 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.900 -4.889 9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.813 -4.843 12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.710 -6.269 11.071 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.642 -4.050 11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.276 -5.853 12.337 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.768 -5.516 13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.664 -6.960 12.211 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.182 -5.488 9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.520 -6.639 9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.638 -4.995 8.989 1.00 0.00 H new ATOM 1255 N THR A 81 -6.481 -3.567 10.069 1.00 0.00 N ATOM 1256 CA THR A 81 -7.948 -3.558 10.219 1.00 0.00 C ATOM 1257 C THR A 81 -8.654 -3.997 8.934 1.00 0.00 C ATOM 1258 O THR A 81 -8.022 -4.315 7.927 1.00 0.00 O ATOM 1259 CB THR A 81 -8.444 -2.192 10.720 1.00 0.00 C ATOM 1260 OG1 THR A 81 -8.117 -1.182 9.797 1.00 0.00 O ATOM 1261 CG2 THR A 81 -7.864 -1.822 12.086 1.00 0.00 C ATOM 0 H THR A 81 -6.094 -2.635 9.923 1.00 0.00 H new ATOM 0 HA THR A 81 -8.209 -4.294 10.979 1.00 0.00 H new ATOM 0 HB THR A 81 -9.526 -2.275 10.823 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.227 -0.827 10.002 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.247 -0.849 12.392 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.154 -2.574 12.820 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.777 -1.780 12.020 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.984 -4.041 8.973 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.845 -4.481 7.861 1.00 0.00 C ATOM 1271 C ASP A 82 -11.175 -3.346 6.861 1.00 0.00 C ATOM 1272 O ASP A 82 -12.098 -3.452 6.051 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.113 -5.132 8.437 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.823 -6.271 9.430 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -10.931 -7.110 9.159 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.494 -6.322 10.489 1.00 0.00 O ATOM 0 H ASP A 82 -10.514 -3.765 9.800 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.295 -5.218 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.709 -4.368 8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.717 -5.521 7.617 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.409 -2.256 6.920 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.501 -1.062 6.078 1.00 0.00 C ATOM 1283 C ASP A 83 -9.091 -0.519 5.792 1.00 0.00 C ATOM 1284 O ASP A 83 -8.325 -0.200 6.703 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.393 -0.007 6.755 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.091 1.421 6.272 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -11.083 1.665 5.043 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -10.805 2.269 7.148 1.00 0.00 O ATOM 0 H ASP A 83 -9.656 -2.179 7.604 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.961 -1.319 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.439 -0.240 6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.254 -0.058 7.835 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.762 -0.403 4.506 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.402 -0.119 4.024 1.00 0.00 C ATOM 1295 C ILE A 84 -6.984 1.354 4.146 1.00 0.00 C ATOM 1296 O ILE A 84 -5.799 1.643 3.987 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.236 -0.613 2.558 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.943 0.312 1.545 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.754 -2.052 2.391 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.670 -0.010 0.073 1.00 0.00 C ATOM 0 H ILE A 84 -9.442 -0.505 3.753 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.730 -0.670 4.682 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.167 -0.591 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.018 0.262 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.636 1.340 1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.624 -2.368 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.194 -2.719 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.812 -2.091 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.210 0.694 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.601 0.071 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.004 -1.024 -0.146 1.00 0.00 H new ATOM 1312 N THR A 85 -7.915 2.286 4.401 1.00 0.00 N ATOM 1313 CA THR A 85 -7.662 3.733 4.245 1.00 0.00 C ATOM 1314 C THR A 85 -6.578 4.310 5.149 1.00 0.00 C ATOM 1315 O THR A 85 -5.892 5.241 4.742 1.00 0.00 O ATOM 1316 CB THR A 85 -8.973 4.528 4.259 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.844 5.609 3.364 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.378 5.082 5.620 1.00 0.00 C ATOM 0 H THR A 85 -8.858 2.064 4.719 1.00 0.00 H new ATOM 0 HA THR A 85 -7.221 3.849 3.255 1.00 0.00 H new ATOM 0 HB THR A 85 -9.755 3.825 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.690 6.101 3.322 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.317 5.628 5.526 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.505 4.260 6.324 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.602 5.755 5.984 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.317 3.723 6.322 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.179 4.144 7.159 1.00 0.00 C ATOM 1328 C LYS A 86 -3.824 3.865 6.479 1.00 0.00 C ATOM 1329 O LYS A 86 -2.879 4.641 6.630 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.244 3.489 8.552 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.338 4.062 9.473 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.760 3.524 9.259 1.00 0.00 C ATOM 1333 CE LYS A 86 -7.815 1.997 9.398 1.00 0.00 C ATOM 1334 NZ LYS A 86 -9.201 1.478 9.333 1.00 0.00 N ATOM 0 H LYS A 86 -6.871 2.961 6.714 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.257 5.224 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.412 2.419 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.277 3.606 9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.051 3.868 10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.359 5.144 9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.435 3.980 9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.113 3.812 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.221 1.540 8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.363 1.704 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.186 0.440 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.754 1.866 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.637 1.763 8.433 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.740 2.797 5.679 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.568 2.465 4.869 1.00 0.00 C ATOM 1350 C ALA A 87 -2.592 3.207 3.522 1.00 0.00 C ATOM 1351 O ALA A 87 -1.566 3.718 3.079 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.522 0.939 4.699 1.00 0.00 C ATOM 0 H ALA A 87 -4.502 2.127 5.576 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.657 2.794 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.655 0.666 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.448 0.466 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.431 0.601 4.201 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.769 3.330 2.905 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.940 3.935 1.587 1.00 0.00 C ATOM 1360 C ALA A 88 -3.691 5.454 1.583 1.00 0.00 C ATOM 1361 O ALA A 88 -3.010 5.957 0.695 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.333 3.555 1.068 1.00 0.00 C ATOM 0 H ALA A 88 -4.644 3.006 3.316 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.181 3.543 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.487 3.995 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.411 2.470 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.092 3.929 1.755 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.140 6.189 2.606 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.832 7.620 2.766 1.00 0.00 C ATOM 1370 C LYS A 89 -2.342 7.871 3.053 1.00 0.00 C ATOM 1371 O LYS A 89 -1.761 8.837 2.554 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.694 8.200 3.896 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.184 8.288 3.526 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.004 8.772 4.731 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.514 8.808 4.449 1.00 0.00 C ATOM 1376 NZ LYS A 89 -8.888 9.833 3.439 1.00 0.00 N ATOM 0 H LYS A 89 -4.728 5.811 3.349 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.061 8.118 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.582 7.581 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.329 9.195 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.318 8.972 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.543 7.312 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.813 8.117 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.668 9.769 5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.837 7.827 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.048 9.008 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.917 9.813 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.606 10.775 3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.403 9.630 2.542 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.698 6.969 3.804 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.248 6.983 4.033 1.00 0.00 C ATOM 1392 C CYS A 90 0.513 6.731 2.721 1.00 0.00 C ATOM 1393 O CYS A 90 1.462 7.450 2.407 1.00 0.00 O ATOM 1394 CB CYS A 90 0.076 5.955 5.126 1.00 0.00 C ATOM 1395 SG CYS A 90 1.830 5.720 5.498 1.00 0.00 S ATOM 0 H CYS A 90 -2.175 6.200 4.275 1.00 0.00 H new ATOM 0 HA CYS A 90 0.080 7.963 4.379 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.432 6.256 6.042 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.344 4.994 4.829 1.00 0.00 H new ATOM 0 HG CYS A 90 2.447 6.862 5.421 1.00 0.00 H new ATOM 1400 N ALA A 91 0.026 5.804 1.891 1.00 0.00 N ATOM 1401 CA ALA A 91 0.561 5.530 0.562 1.00 0.00 C ATOM 1402 C ALA A 91 0.501 6.754 -0.369 1.00 0.00 C ATOM 1403 O ALA A 91 1.462 6.982 -1.099 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.168 4.312 -0.015 1.00 0.00 C ATOM 0 H ALA A 91 -0.769 5.212 2.133 1.00 0.00 H new ATOM 0 HA ALA A 91 1.624 5.303 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.220 4.093 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.008 3.451 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.235 4.524 -0.081 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.535 7.608 -0.298 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.544 8.876 -1.047 1.00 0.00 C ATOM 1412 C LYS A 92 0.554 9.848 -0.579 1.00 0.00 C ATOM 1413 O LYS A 92 1.246 10.436 -1.409 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.910 9.578 -0.978 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.150 8.720 -1.247 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.098 7.802 -2.473 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.941 8.539 -3.811 1.00 0.00 C ATOM 1418 NZ LYS A 92 -2.449 7.624 -4.872 1.00 0.00 N ATOM 0 H LYS A 92 -1.370 7.445 0.265 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.340 8.602 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.013 10.020 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.905 10.399 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.334 8.103 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.007 9.385 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.267 7.106 -2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.010 7.207 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.899 8.965 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.246 9.370 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.575 8.071 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.440 7.424 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.987 6.734 -4.840 1.00 0.00 H new ATOM 1432 N LYS A 93 0.766 9.997 0.736 1.00 0.00 N ATOM 1433 CA LYS A 93 1.835 10.862 1.271 1.00 0.00 C ATOM 1434 C LYS A 93 3.249 10.315 0.983 1.00 0.00 C ATOM 1435 O LYS A 93 4.209 11.083 0.898 1.00 0.00 O ATOM 1436 CB LYS A 93 1.588 11.171 2.760 1.00 0.00 C ATOM 1437 CG LYS A 93 2.454 12.364 3.204 1.00 0.00 C ATOM 1438 CD LYS A 93 2.162 12.840 4.629 1.00 0.00 C ATOM 1439 CE LYS A 93 2.965 14.126 4.878 1.00 0.00 C ATOM 1440 NZ LYS A 93 2.699 14.705 6.218 1.00 0.00 N ATOM 0 H LYS A 93 0.211 9.530 1.453 1.00 0.00 H new ATOM 0 HA LYS A 93 1.795 11.811 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.534 11.396 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.824 10.296 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.505 12.085 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.296 13.193 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.096 13.027 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.440 12.072 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.029 13.911 4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.718 14.860 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.359 15.489 6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.722 15.059 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.830 13.973 6.945 1.00 0.00 H new ATOM 1454 N ILE A 94 3.383 9.009 0.746 1.00 0.00 N ATOM 1455 CA ILE A 94 4.619 8.421 0.207 1.00 0.00 C ATOM 1456 C ILE A 94 4.748 8.753 -1.287 1.00 0.00 C ATOM 1457 O ILE A 94 5.797 9.228 -1.717 1.00 0.00 O ATOM 1458 CB ILE A 94 4.676 6.903 0.474 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.716 6.598 1.989 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.934 6.354 -0.217 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.464 5.125 2.339 1.00 0.00 C ATOM 0 H ILE A 94 2.644 8.328 0.920 1.00 0.00 H new ATOM 0 HA ILE A 94 5.474 8.859 0.722 1.00 0.00 H new ATOM 0 HB ILE A 94 3.780 6.426 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.689 6.892 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.970 7.213 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.003 5.280 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.875 6.548 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.817 6.844 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.509 4.995 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.479 4.829 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.225 4.504 1.867 1.00 0.00 H new ATOM 1473 N TYR A 95 3.687 8.571 -2.077 1.00 0.00 N ATOM 1474 CA TYR A 95 3.664 8.841 -3.523 1.00 0.00 C ATOM 1475 C TYR A 95 4.032 10.291 -3.896 1.00 0.00 C ATOM 1476 O TYR A 95 4.645 10.530 -4.936 1.00 0.00 O ATOM 1477 CB TYR A 95 2.311 8.382 -4.101 1.00 0.00 C ATOM 1478 CG TYR A 95 1.718 9.187 -5.248 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.069 10.412 -4.989 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.757 8.688 -6.563 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.497 11.152 -6.042 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.195 9.425 -7.622 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.564 10.662 -7.367 1.00 0.00 C ATOM 1484 OH TYR A 95 0.014 11.369 -8.394 1.00 0.00 O ATOM 0 H TYR A 95 2.796 8.223 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 95 4.458 8.257 -3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.424 7.352 -4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.585 8.374 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.010 10.785 -3.977 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.221 7.733 -6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.008 12.093 -5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.246 9.044 -8.631 1.00 0.00 H new ATOM 0 HH TYR A 95 0.153 10.886 -9.235 1.00 0.00 H new ATOM 1494 N LYS A 96 3.756 11.247 -3.004 1.00 0.00 N ATOM 1495 CA LYS A 96 4.220 12.641 -3.081 1.00 0.00 C ATOM 1496 C LYS A 96 5.754 12.803 -3.178 1.00 0.00 C ATOM 1497 O LYS A 96 6.232 13.802 -3.720 1.00 0.00 O ATOM 1498 CB LYS A 96 3.705 13.362 -1.827 1.00 0.00 C ATOM 1499 CG LYS A 96 2.234 13.785 -1.975 1.00 0.00 C ATOM 1500 CD LYS A 96 1.769 14.640 -0.788 1.00 0.00 C ATOM 1501 CE LYS A 96 0.299 15.037 -0.980 1.00 0.00 C ATOM 1502 NZ LYS A 96 -0.183 15.931 0.107 1.00 0.00 N ATOM 0 H LYS A 96 3.184 11.068 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 96 3.829 13.068 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.809 12.707 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.319 14.242 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.108 14.347 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.606 12.898 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.887 14.083 0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.389 15.533 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.181 15.538 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.318 14.139 -1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.180 16.175 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.095 15.444 1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.389 16.800 0.121 1.00 0.00 H new ATOM 1516 N ARG A 97 6.513 11.827 -2.665 1.00 0.00 N ATOM 1517 CA ARG A 97 7.984 11.790 -2.646 1.00 0.00 C ATOM 1518 C ARG A 97 8.560 10.684 -3.547 1.00 0.00 C ATOM 1519 O ARG A 97 9.615 10.862 -4.154 1.00 0.00 O ATOM 1520 CB ARG A 97 8.467 11.621 -1.210 1.00 0.00 C ATOM 1521 CG ARG A 97 8.047 12.826 -0.350 1.00 0.00 C ATOM 1522 CD ARG A 97 8.825 12.746 0.954 1.00 0.00 C ATOM 1523 NE ARG A 97 8.350 13.698 1.976 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.450 13.464 2.926 1.00 0.00 C ATOM 1525 NH1 ARG A 97 6.658 12.415 2.909 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.342 14.296 3.938 1.00 0.00 N ATOM 0 H ARG A 97 6.100 11.001 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 97 8.346 12.735 -3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.054 10.705 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.552 11.518 -1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.261 13.761 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.974 12.806 -0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.754 11.733 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.879 12.936 0.752 1.00 0.00 H new ATOM 0 HE ARG A 97 8.755 14.634 1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.720 11.741 2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.981 12.275 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.947 15.116 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.653 14.122 4.670 1.00 0.00 H new ATOM 1540 N HIS A 98 7.841 9.564 -3.665 1.00 0.00 N ATOM 1541 CA HIS A 98 8.238 8.325 -4.344 1.00 0.00 C ATOM 1542 C HIS A 98 6.995 7.627 -4.942 1.00 0.00 C ATOM 1543 O HIS A 98 6.443 6.708 -4.333 1.00 0.00 O ATOM 1544 CB HIS A 98 8.949 7.424 -3.315 1.00 0.00 C ATOM 1545 CG HIS A 98 10.273 7.945 -2.826 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.463 7.948 -3.557 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.507 8.472 -1.589 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.384 8.489 -2.741 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.841 8.813 -1.553 1.00 0.00 N ATOM 0 H HIS A 98 6.906 9.493 -3.263 1.00 0.00 H new ATOM 0 HA HIS A 98 8.918 8.538 -5.169 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.290 7.286 -2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.104 6.441 -3.760 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.787 8.597 -0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.420 8.643 -3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.331 9.236 -0.765 1.00 0.00 H new ATOM 1557 N ARG A 99 6.535 8.073 -6.126 1.00 0.00 N ATOM 1558 CA ARG A 99 5.236 7.680 -6.710 1.00 0.00 C ATOM 1559 C ARG A 99 4.970 6.165 -6.757 1.00 0.00 C ATOM 1560 O ARG A 99 3.863 5.743 -6.427 1.00 0.00 O ATOM 1561 CB ARG A 99 4.969 8.362 -8.067 1.00 0.00 C ATOM 1562 CG ARG A 99 5.884 8.017 -9.255 1.00 0.00 C ATOM 1563 CD ARG A 99 7.200 8.807 -9.294 1.00 0.00 C ATOM 1564 NE ARG A 99 7.788 8.773 -10.647 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.594 7.846 -11.153 1.00 0.00 C ATOM 1566 NH1 ARG A 99 9.062 6.849 -10.435 1.00 0.00 N ATOM 1567 NH2 ARG A 99 8.950 7.915 -12.418 1.00 0.00 N ATOM 0 H ARG A 99 7.059 8.723 -6.711 1.00 0.00 H new ATOM 0 HA ARG A 99 4.501 8.060 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.945 8.129 -8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.019 9.440 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.115 6.952 -9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.339 8.197 -10.182 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.019 9.840 -8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.904 8.387 -8.575 1.00 0.00 H new ATOM 0 HE ARG A 99 7.548 9.549 -11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.808 6.766 -9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.679 6.158 -10.863 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.607 8.677 -13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.569 7.207 -12.813 1.00 0.00 H new ATOM 1581 N PHE A 100 5.996 5.364 -7.055 1.00 0.00 N ATOM 1582 CA PHE A 100 5.975 3.898 -6.936 1.00 0.00 C ATOM 1583 C PHE A 100 7.310 3.313 -6.420 1.00 0.00 C ATOM 1584 O PHE A 100 7.436 2.107 -6.222 1.00 0.00 O ATOM 1585 CB PHE A 100 5.618 3.289 -8.298 1.00 0.00 C ATOM 1586 CG PHE A 100 4.309 3.753 -8.905 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.092 3.356 -8.321 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.299 4.590 -10.038 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.874 3.802 -8.854 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.077 5.040 -10.570 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.865 4.646 -9.976 1.00 0.00 C ATOM 0 H PHE A 100 6.888 5.723 -7.395 1.00 0.00 H new ATOM 0 HA PHE A 100 5.220 3.639 -6.193 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.422 3.516 -8.998 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.584 2.205 -8.192 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.096 2.705 -7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.230 4.886 -10.498 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.942 3.496 -8.401 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.070 5.688 -11.434 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.927 4.993 -10.383 1.00 0.00 H new ATOM 1601 N ASP A 101 8.310 4.169 -6.186 1.00 0.00 N ATOM 1602 CA ASP A 101 9.711 3.817 -5.935 1.00 0.00 C ATOM 1603 C ASP A 101 9.995 3.307 -4.513 1.00 0.00 C ATOM 1604 O ASP A 101 11.013 2.650 -4.289 1.00 0.00 O ATOM 1605 CB ASP A 101 10.580 5.054 -6.228 1.00 0.00 C ATOM 1606 CG ASP A 101 10.237 5.738 -7.560 1.00 0.00 C ATOM 1607 OD1 ASP A 101 9.182 6.421 -7.626 1.00 0.00 O ATOM 1608 OD2 ASP A 101 11.013 5.582 -8.529 1.00 0.00 O ATOM 0 H ASP A 101 8.156 5.177 -6.166 1.00 0.00 H new ATOM 0 HA ASP A 101 9.953 2.984 -6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.461 5.773 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.629 4.758 -6.240 1.00 0.00 H new ATOM 1613 N ALA A 102 9.090 3.573 -3.563 1.00 0.00 N ATOM 1614 CA ALA A 102 9.190 3.136 -2.166 1.00 0.00 C ATOM 1615 C ALA A 102 8.863 1.640 -1.958 1.00 0.00 C ATOM 1616 O ALA A 102 9.001 1.127 -0.844 1.00 0.00 O ATOM 1617 CB ALA A 102 8.279 4.040 -1.327 1.00 0.00 C ATOM 0 H ALA A 102 8.245 4.113 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 102 10.227 3.232 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.332 3.739 -0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.605 5.076 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.252 3.949 -1.679 1.00 0.00 H new ATOM 1623 N TRP A 103 8.457 0.941 -3.023 1.00 0.00 N ATOM 1624 CA TRP A 103 8.030 -0.461 -3.022 1.00 0.00 C ATOM 1625 C TRP A 103 8.848 -1.302 -4.003 1.00 0.00 C ATOM 1626 O TRP A 103 9.334 -0.808 -5.023 1.00 0.00 O ATOM 1627 CB TRP A 103 6.532 -0.505 -3.344 1.00 0.00 C ATOM 1628 CG TRP A 103 5.661 0.178 -2.333 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.247 -0.374 -1.174 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.101 1.532 -2.347 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.454 0.519 -0.489 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.308 1.706 -1.172 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.178 2.630 -3.232 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.594 2.887 -0.912 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.471 3.821 -2.981 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.670 3.947 -1.831 1.00 0.00 C ATOM 0 H TRP A 103 8.415 1.358 -3.953 1.00 0.00 H new ATOM 0 HA TRP A 103 8.204 -0.897 -2.038 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.368 -0.043 -4.318 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.221 -1.546 -3.429 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.500 -1.368 -0.834 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.026 0.325 0.416 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.791 2.554 -4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 2.995 2.979 -0.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.544 4.644 -3.676 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.115 4.857 -1.655 1.00 0.00 H new ATOM 1647 N TYR A 104 9.053 -2.575 -3.668 1.00 0.00 N ATOM 1648 CA TYR A 104 9.953 -3.470 -4.396 1.00 0.00 C ATOM 1649 C TYR A 104 9.257 -4.226 -5.533 1.00 0.00 C ATOM 1650 O TYR A 104 9.813 -4.331 -6.625 1.00 0.00 O ATOM 1651 CB TYR A 104 10.608 -4.431 -3.399 1.00 0.00 C ATOM 1652 CG TYR A 104 11.774 -5.182 -4.004 1.00 0.00 C ATOM 1653 CD1 TYR A 104 12.968 -4.487 -4.274 1.00 0.00 C ATOM 1654 CD2 TYR A 104 11.662 -6.546 -4.331 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.058 -5.155 -4.866 1.00 0.00 C ATOM 1656 CE2 TYR A 104 12.749 -7.222 -4.917 1.00 0.00 C ATOM 1657 CZ TYR A 104 13.951 -6.528 -5.188 1.00 0.00 C ATOM 1658 OH TYR A 104 14.998 -7.184 -5.761 1.00 0.00 O ATOM 0 H TYR A 104 8.593 -3.020 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 104 10.718 -2.863 -4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 104 10.952 -3.870 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 104 9.864 -5.145 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.049 -3.439 -4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.741 -7.075 -4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.973 -4.620 -5.073 1.00 0.00 H new ATOM 0 HE2 TYR A 104 12.665 -8.271 -5.160 1.00 0.00 H new ATOM 0 HH TYR A 104 14.753 -8.120 -5.914 1.00 0.00 H new ATOM 1668 N GLY A 105 8.018 -4.685 -5.320 1.00 0.00 N ATOM 1669 CA GLY A 105 7.245 -5.450 -6.304 1.00 0.00 C ATOM 1670 C GLY A 105 6.934 -4.654 -7.570 1.00 0.00 C ATOM 1671 O GLY A 105 6.891 -5.228 -8.658 1.00 0.00 O ATOM 0 H GLY A 105 7.517 -4.532 -4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.800 -6.349 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.310 -5.777 -5.849 1.00 0.00 H new ATOM 1675 N TRP A 106 6.806 -3.328 -7.459 1.00 0.00 N ATOM 1676 CA TRP A 106 6.604 -2.462 -8.619 1.00 0.00 C ATOM 1677 C TRP A 106 7.798 -2.468 -9.589 1.00 0.00 C ATOM 1678 O TRP A 106 7.609 -2.586 -10.800 1.00 0.00 O ATOM 1679 CB TRP A 106 6.241 -1.047 -8.175 1.00 0.00 C ATOM 1680 CG TRP A 106 6.008 -0.132 -9.334 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.865 -0.023 -10.047 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.966 0.762 -9.975 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.050 0.873 -11.084 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.328 1.391 -11.086 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.312 1.103 -9.724 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 6.999 2.306 -11.912 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.995 2.016 -10.547 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.343 2.618 -11.639 1.00 0.00 C ATOM 0 H TRP A 106 6.839 -2.830 -6.569 1.00 0.00 H new ATOM 0 HA TRP A 106 5.765 -2.872 -9.182 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.345 -1.081 -7.556 1.00 0.00 H new ATOM 0 HB3 TRP A 106 7.042 -0.647 -7.554 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.948 -0.554 -9.839 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.330 1.120 -11.763 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.826 0.656 -8.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.490 2.765 -12.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 10.027 2.257 -10.340 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.874 3.319 -12.267 1.00 0.00 H new ATOM 1699 N LYS A 107 9.030 -2.393 -9.073 1.00 0.00 N ATOM 1700 CA LYS A 107 10.257 -2.404 -9.888 1.00 0.00 C ATOM 1701 C LYS A 107 10.829 -3.812 -10.157 1.00 0.00 C ATOM 1702 O LYS A 107 11.608 -3.977 -11.098 1.00 0.00 O ATOM 1703 CB LYS A 107 11.296 -1.415 -9.316 1.00 0.00 C ATOM 1704 CG LYS A 107 11.585 -1.536 -7.812 1.00 0.00 C ATOM 1705 CD LYS A 107 12.733 -0.591 -7.417 1.00 0.00 C ATOM 1706 CE LYS A 107 13.070 -0.655 -5.920 1.00 0.00 C ATOM 1707 NZ LYS A 107 12.075 0.058 -5.075 1.00 0.00 N ATOM 0 H LYS A 107 9.208 -2.322 -8.071 1.00 0.00 H new ATOM 0 HA LYS A 107 9.978 -2.053 -10.882 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.232 -1.549 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.953 -0.401 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.689 -1.292 -7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.849 -2.565 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.621 -0.845 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.462 0.432 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.124 -1.698 -5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.057 -0.222 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.342 -0.031 -4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.053 1.064 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.133 -0.359 -5.221 1.00 0.00 H new ATOM 1721 N ASN A 108 10.412 -4.832 -9.398 1.00 0.00 N ATOM 1722 CA ASN A 108 10.875 -6.221 -9.543 1.00 0.00 C ATOM 1723 C ASN A 108 9.919 -7.127 -10.356 1.00 0.00 C ATOM 1724 O ASN A 108 10.374 -8.113 -10.936 1.00 0.00 O ATOM 1725 CB ASN A 108 11.151 -6.790 -8.141 1.00 0.00 C ATOM 1726 CG ASN A 108 11.903 -8.118 -8.180 1.00 0.00 C ATOM 1727 OD1 ASN A 108 11.365 -9.172 -7.871 1.00 0.00 O ATOM 1728 ND2 ASN A 108 13.173 -8.104 -8.550 1.00 0.00 N ATOM 0 H ASN A 108 9.729 -4.715 -8.650 1.00 0.00 H new ATOM 0 HA ASN A 108 11.791 -6.207 -10.133 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.730 -6.066 -7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.205 -6.928 -7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 108 13.706 -8.973 -8.578 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.620 -7.224 -8.807 1.00 0.00 H new ATOM 1735 N HIS A 109 8.625 -6.782 -10.459 1.00 0.00 N ATOM 1736 CA HIS A 109 7.608 -7.571 -11.185 1.00 0.00 C ATOM 1737 C HIS A 109 6.707 -6.738 -12.121 1.00 0.00 C ATOM 1738 O HIS A 109 6.514 -7.112 -13.280 1.00 0.00 O ATOM 1739 CB HIS A 109 6.742 -8.343 -10.176 1.00 0.00 C ATOM 1740 CG HIS A 109 7.494 -9.345 -9.342 1.00 0.00 C ATOM 1741 ND1 HIS A 109 8.040 -10.542 -9.814 1.00 0.00 N ATOM 1742 CD2 HIS A 109 7.728 -9.244 -8.002 1.00 0.00 C ATOM 1743 CE1 HIS A 109 8.599 -11.127 -8.741 1.00 0.00 C ATOM 1744 NE2 HIS A 109 8.427 -10.374 -7.641 1.00 0.00 N ATOM 0 H HIS A 109 8.247 -5.935 -10.035 1.00 0.00 H new ATOM 0 HA HIS A 109 8.157 -8.255 -11.832 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.257 -7.628 -9.511 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.951 -8.862 -10.718 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.425 -8.437 -7.352 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.117 -12.075 -8.760 1.00 0.00 H new ATOM 0 HE2 HIS A 109 8.757 -10.600 -6.703 1.00 0.00 H new ATOM 1752 N CYS A 110 6.185 -5.589 -11.668 1.00 0.00 N ATOM 1753 CA CYS A 110 5.182 -4.806 -12.424 1.00 0.00 C ATOM 1754 C CYS A 110 5.722 -4.105 -13.688 1.00 0.00 C ATOM 1755 O CYS A 110 4.938 -3.577 -14.477 1.00 0.00 O ATOM 1756 CB CYS A 110 4.498 -3.794 -11.496 1.00 0.00 C ATOM 1757 SG CYS A 110 3.871 -4.484 -9.943 1.00 0.00 S ATOM 0 H CYS A 110 6.441 -5.173 -10.772 1.00 0.00 H new ATOM 0 HA CYS A 110 4.459 -5.533 -12.793 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.207 -3.000 -11.263 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.669 -3.334 -12.033 1.00 0.00 H new ATOM 0 HG CYS A 110 2.748 -5.101 -10.164 1.00 0.00 H new ATOM 1762 N GLN A 111 7.040 -4.121 -13.913 1.00 0.00 N ATOM 1763 CA GLN A 111 7.669 -3.625 -15.145 1.00 0.00 C ATOM 1764 C GLN A 111 7.453 -4.569 -16.345 1.00 0.00 C ATOM 1765 O GLN A 111 7.533 -4.121 -17.490 1.00 0.00 O ATOM 1766 CB GLN A 111 9.182 -3.422 -14.928 1.00 0.00 C ATOM 1767 CG GLN A 111 9.555 -2.502 -13.755 1.00 0.00 C ATOM 1768 CD GLN A 111 8.959 -1.096 -13.866 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.241 -0.340 -14.787 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.113 -0.693 -12.942 1.00 0.00 N ATOM 0 H GLN A 111 7.711 -4.484 -13.236 1.00 0.00 H new ATOM 0 HA GLN A 111 7.189 -2.675 -15.378 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.644 -4.396 -14.767 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.613 -3.012 -15.842 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.217 -2.958 -12.824 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.641 -2.424 -13.696 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.869 -1.312 -12.169 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.701 0.239 -12.999 1.00 0.00 H new ATOM 1779 N GLY A 112 7.174 -5.861 -16.104 1.00 0.00 N ATOM 1780 CA GLY A 112 7.004 -6.871 -17.160 1.00 0.00 C ATOM 1781 C GLY A 112 5.598 -6.896 -17.761 1.00 0.00 C ATOM 1782 O GLY A 112 5.447 -7.112 -18.963 1.00 0.00 O ATOM 0 H GLY A 112 7.059 -6.236 -15.162 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.726 -6.680 -17.954 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.233 -7.855 -16.751 1.00 0.00 H new ATOM 1786 N SER A 113 4.572 -6.657 -16.942 1.00 0.00 N ATOM 1787 CA SER A 113 3.149 -6.644 -17.324 1.00 0.00 C ATOM 1788 C SER A 113 2.271 -6.115 -16.175 1.00 0.00 C ATOM 1789 O SER A 113 2.606 -6.289 -14.998 1.00 0.00 O ATOM 1790 CB SER A 113 2.683 -8.056 -17.723 1.00 0.00 C ATOM 1791 OG SER A 113 1.389 -8.019 -18.310 1.00 0.00 O ATOM 0 H SER A 113 4.711 -6.458 -15.951 1.00 0.00 H new ATOM 0 HA SER A 113 3.043 -5.977 -18.179 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.393 -8.492 -18.426 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.669 -8.700 -16.844 1.00 0.00 H new ATOM 0 HG SER A 113 1.116 -8.927 -18.557 1.00 0.00 H new ATOM 1797 N LEU A 114 1.140 -5.477 -16.512 1.00 0.00 N ATOM 1798 CA LEU A 114 0.114 -5.004 -15.580 1.00 0.00 C ATOM 1799 C LEU A 114 -1.247 -5.677 -15.868 1.00 0.00 C ATOM 1800 O LEU A 114 -1.546 -5.960 -17.035 1.00 0.00 O ATOM 1801 CB LEU A 114 -0.005 -3.478 -15.733 1.00 0.00 C ATOM 1802 CG LEU A 114 1.242 -2.681 -15.304 1.00 0.00 C ATOM 1803 CD1 LEU A 114 1.060 -1.228 -15.744 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.470 -2.738 -13.788 1.00 0.00 C ATOM 0 H LEU A 114 0.909 -5.269 -17.484 1.00 0.00 H new ATOM 0 HA LEU A 114 0.399 -5.262 -14.560 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.223 -3.249 -16.776 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.857 -3.134 -15.146 1.00 0.00 H new ATOM 0 HG LEU A 114 2.117 -3.125 -15.778 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.933 -0.646 -15.449 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.946 -1.187 -16.827 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.171 -0.813 -15.270 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.360 -2.162 -13.532 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.606 -2.318 -13.274 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.607 -3.774 -13.479 1.00 0.00 H new ATOM 1816 N PRO A 115 -2.101 -5.890 -14.847 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.427 -6.479 -15.004 1.00 0.00 C ATOM 1818 C PRO A 115 -4.417 -5.485 -15.621 1.00 0.00 C ATOM 1819 O PRO A 115 -4.161 -4.282 -15.683 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.846 -6.876 -13.589 1.00 0.00 C ATOM 1821 CG PRO A 115 -3.194 -5.802 -12.722 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.873 -5.555 -13.448 1.00 0.00 C ATOM 0 HA PRO A 115 -3.415 -7.332 -15.683 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.930 -6.882 -13.476 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.493 -7.874 -13.329 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.803 -4.899 -12.667 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -3.038 -6.145 -11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.562 -4.516 -13.344 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -1.078 -6.170 -13.026 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.570 -5.995 -16.058 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.688 -5.182 -16.542 1.00 0.00 C ATOM 1832 C ASP A 116 -7.491 -4.533 -15.398 1.00 0.00 C ATOM 1833 O ASP A 116 -7.680 -5.113 -14.325 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.620 -6.037 -17.417 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.833 -5.219 -17.891 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.620 -4.167 -18.538 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.983 -5.570 -17.540 1.00 0.00 O ATOM 0 H ASP A 116 -5.756 -6.997 -16.086 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.261 -4.372 -17.134 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -7.071 -6.413 -18.280 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.960 -6.905 -16.852 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.025 -3.343 -15.684 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.003 -2.622 -14.852 1.00 0.00 C ATOM 1844 C ILE A 117 -10.258 -2.182 -15.624 1.00 0.00 C ATOM 1845 O ILE A 117 -11.192 -1.676 -15.012 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.349 -1.401 -14.171 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.841 -0.403 -15.240 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.249 -1.845 -13.186 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.363 0.922 -14.659 1.00 0.00 C ATOM 0 H ILE A 117 -7.782 -2.832 -16.533 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.332 -3.333 -14.094 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.096 -0.876 -13.575 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.023 -0.863 -15.795 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.642 -0.209 -15.954 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.803 -0.967 -12.719 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.685 -2.483 -12.417 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.480 -2.399 -13.725 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.022 1.571 -15.466 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.184 1.404 -14.128 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.541 0.740 -13.967 1.00 0.00 H new ATOM 1861 N SER A 118 -10.324 -2.356 -16.945 1.00 0.00 N ATOM 1862 CA SER A 118 -11.500 -1.972 -17.745 1.00 0.00 C ATOM 1863 C SER A 118 -12.720 -2.874 -17.477 1.00 0.00 C ATOM 1864 O SER A 118 -13.861 -2.460 -17.688 1.00 0.00 O ATOM 1865 CB SER A 118 -11.159 -1.971 -19.242 1.00 0.00 C ATOM 1866 OG SER A 118 -10.122 -1.040 -19.534 1.00 0.00 O ATOM 0 H SER A 118 -9.568 -2.766 -17.494 1.00 0.00 H new ATOM 0 HA SER A 118 -11.773 -0.963 -17.437 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.850 -2.971 -19.548 1.00 0.00 H new ATOM 0 HB3 SER A 118 -12.049 -1.721 -19.820 1.00 0.00 H new ATOM 0 HG SER A 118 -9.924 -1.061 -20.494 1.00 0.00 H new ATOM 1872 N SER A 119 -12.507 -4.087 -16.958 1.00 0.00 N ATOM 1873 CA SER A 119 -13.566 -4.972 -16.450 1.00 0.00 C ATOM 1874 C SER A 119 -14.027 -4.617 -15.011 1.00 0.00 C ATOM 1875 O SER A 119 -14.983 -5.214 -14.503 1.00 0.00 O ATOM 1876 CB SER A 119 -13.074 -6.428 -16.546 1.00 0.00 C ATOM 1877 OG SER A 119 -14.145 -7.364 -16.527 1.00 0.00 O ATOM 0 H SER A 119 -11.574 -4.492 -16.876 1.00 0.00 H new ATOM 0 HA SER A 119 -14.452 -4.835 -17.070 1.00 0.00 H new ATOM 0 HB2 SER A 119 -12.500 -6.555 -17.464 1.00 0.00 H new ATOM 0 HB3 SER A 119 -12.398 -6.636 -15.716 1.00 0.00 H new ATOM 0 HG SER A 119 -14.842 -7.051 -15.914 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.383 -3.639 -14.348 1.00 0.00 N ATOM 1884 CA CYS A 120 -13.643 -3.236 -12.958 1.00 0.00 C ATOM 1885 C CYS A 120 -14.378 -1.881 -12.865 1.00 0.00 C ATOM 1886 O CYS A 120 -15.444 -1.826 -12.216 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.312 -3.215 -12.192 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.371 -4.767 -12.208 1.00 0.00 S ATOM 1889 OXT CYS A 120 -13.874 -0.859 -13.387 1.00 0.00 O ATOM 0 H CYS A 120 -12.642 -3.090 -14.783 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.313 -3.965 -12.502 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -11.685 -2.427 -12.610 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.514 -2.945 -11.156 1.00 0.00 H new ATOM 0 HG CYS A 120 -10.272 -4.615 -11.530 1.00 0.00 H new