USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=41 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 72 CYS SG : rot 92:sc= 0.999 USER MOD Set 1.2: A 90 CYS SG : rot 31:sc= -0.506 USER MOD Set 2.1: A 63 SER OG : rot 180:sc= 0.285 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -175:sc= 1.38 (180deg=1.06) USER MOD Set 3.1: A 62 CYS SG : rot 180:sc= 1.06 USER MOD Set 3.2: A 76 CYS SG : rot -49:sc= 0.619 USER MOD Set 4.1: A 48 SER OG : rot 173:sc= 0.207 USER MOD Set 4.2: A 57 ASN : amide:sc= 1.64 K(o=1.8,f=-3.6!) USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= 0.715 USER MOD Set 5.2: A 49 LYS NZ :NH3+ 167:sc= 0.807 (180deg=0) USER MOD Set 6.1: A 32 HIS : no HD1:sc= -0.105 K(o=-0.1,f=-1) USER MOD Set 6.2: A 108 ASN : amide:sc= 0 X(o=-0.1,f=0.035) USER MOD Set 7.1: A 28 CYS SG : rot -44:sc= 1 USER MOD Set 7.2: A 109 HIS : no HD1:sc= 1.22 K(o=2.1,f=-3.8!) USER MOD Set 7.3: A 110 CYS SG : rot -50:sc= -0.112 USER MOD Set 8.1: A 7 CYS SG : rot 180:sc= 0.47 USER MOD Set 8.2: A 119 SER OG : rot 180:sc= 0.0164 USER MOD Set 8.3: A 120 CYS SG : rot -59:sc= 0.147 USER MOD Set 9.1: A 1 GLY N :NH3+ -172:sc= 0.538 (180deg=0.287) USER MOD Set 9.2: A 39 SER OG : rot 180:sc= 0.285 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 11 HIS : no HD1:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 1.06 (180deg=1.04) USER MOD Single : A 16 HIS : no HD1:sc= -0.182 K(o=-0.18,f=-2.1) USER MOD Single : A 21 ASN : amide:sc= 0.014 K(o=0.014,f=-2.3!) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.19 (180deg=-4.03!) USER MOD Single : A 25 ASN : amide:sc= 0.533 K(o=0.53,f=-2.8!) USER MOD Single : A 34 SER OG : rot -113:sc= 0.523 USER MOD Single : A 35 SER OG : rot -30:sc= 0.0146 USER MOD Single : A 38 THR OG1 : rot 160:sc= 0.853 USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= 1.13 (180deg=0.561) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 44 ASN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.769 K(o=-0.77,f=-6.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0.329 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 1.24 (180deg=0.934) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0662 USER MOD Single : A 73 ASN : amide:sc=-0.00144 X(o=-0.0014,f=-0.0014) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0.51 (180deg=0.442) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0709 USER MOD Single : A 86 LYS NZ :NH3+ -166:sc= 1.12 (180deg=1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0.605 (180deg=0.493) USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.12) 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= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.04) USER MOD Single : A 111 GLN : amide:sc= 1.72 K(o=1.7,f=-0.0072) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -61:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.489 -8.360 9.947 1.00 0.00 N ATOM 2 CA GLY A 1 -7.817 -7.728 8.655 1.00 0.00 C ATOM 3 C GLY A 1 -8.598 -8.657 7.743 1.00 0.00 C ATOM 4 O GLY A 1 -9.350 -9.512 8.213 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.078 -7.650 10.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.354 -8.749 10.373 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.803 -9.127 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.398 -6.823 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.896 -7.423 8.158 1.00 0.00 H new ATOM 10 N LYS A 2 -8.436 -8.481 6.430 1.00 0.00 N ATOM 11 CA LYS A 2 -9.153 -9.186 5.358 1.00 0.00 C ATOM 12 C LYS A 2 -8.399 -9.134 4.013 1.00 0.00 C ATOM 13 O LYS A 2 -7.522 -8.284 3.816 1.00 0.00 O ATOM 14 CB LYS A 2 -10.572 -8.593 5.219 1.00 0.00 C ATOM 15 CG LYS A 2 -10.582 -7.136 4.713 1.00 0.00 C ATOM 16 CD LYS A 2 -11.993 -6.594 4.454 1.00 0.00 C ATOM 17 CE LYS A 2 -12.638 -7.245 3.221 1.00 0.00 C ATOM 18 NZ LYS A 2 -13.969 -6.655 2.923 1.00 0.00 N ATOM 0 H LYS A 2 -7.765 -7.806 6.063 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.221 -10.239 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.150 -9.212 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.072 -8.637 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.085 -6.501 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.002 -7.074 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.618 -6.775 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.947 -5.514 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.983 -7.120 2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.744 -8.317 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.374 -7.118 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.601 -6.796 3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.864 -5.637 2.739 1.00 0.00 H new ATOM 32 N THR A 3 -8.808 -9.984 3.061 1.00 0.00 N ATOM 33 CA THR A 3 -8.264 -10.034 1.694 1.00 0.00 C ATOM 34 C THR A 3 -9.301 -9.546 0.689 1.00 0.00 C ATOM 35 O THR A 3 -10.452 -9.982 0.716 1.00 0.00 O ATOM 36 CB THR A 3 -7.762 -11.439 1.339 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.002 -11.953 2.413 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.846 -11.392 0.115 1.00 0.00 C ATOM 0 H THR A 3 -9.543 -10.672 3.222 1.00 0.00 H new ATOM 0 HA THR A 3 -7.404 -9.365 1.649 1.00 0.00 H new ATOM 0 HB THR A 3 -8.631 -12.065 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.683 -12.852 2.187 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.501 -12.399 -0.120 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.396 -10.989 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.988 -10.755 0.327 1.00 0.00 H new ATOM 46 N PHE A 4 -8.881 -8.644 -0.197 1.00 0.00 N ATOM 47 CA PHE A 4 -9.675 -8.069 -1.286 1.00 0.00 C ATOM 48 C PHE A 4 -9.416 -8.819 -2.604 1.00 0.00 C ATOM 49 O PHE A 4 -8.357 -9.422 -2.805 1.00 0.00 O ATOM 50 CB PHE A 4 -9.330 -6.569 -1.429 1.00 0.00 C ATOM 51 CG PHE A 4 -9.805 -5.688 -0.282 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.128 -5.700 0.956 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.926 -4.847 -0.445 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.592 -4.916 2.025 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.391 -4.066 0.628 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.730 -4.107 1.867 1.00 0.00 C ATOM 0 H PHE A 4 -7.930 -8.275 -0.175 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.735 -8.172 -1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.249 -6.467 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.766 -6.198 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.249 -6.315 1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.430 -4.803 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.072 -4.935 2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.257 -3.434 0.499 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.095 -3.518 2.696 1.00 0.00 H new ATOM 66 N THR A 5 -10.378 -8.737 -3.527 1.00 0.00 N ATOM 67 CA THR A 5 -10.235 -9.161 -4.935 1.00 0.00 C ATOM 68 C THR A 5 -9.873 -7.939 -5.774 1.00 0.00 C ATOM 69 O THR A 5 -10.097 -6.818 -5.320 1.00 0.00 O ATOM 70 CB THR A 5 -11.492 -9.891 -5.423 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.195 -10.435 -6.688 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.731 -9.002 -5.560 1.00 0.00 C ATOM 0 H THR A 5 -11.304 -8.365 -3.317 1.00 0.00 H new ATOM 0 HA THR A 5 -9.428 -9.887 -5.036 1.00 0.00 H new ATOM 0 HB THR A 5 -11.740 -10.642 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.979 -10.912 -7.031 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.572 -9.601 -5.910 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.975 -8.566 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.530 -8.205 -6.276 1.00 0.00 H new ATOM 80 N ARG A 6 -9.320 -8.109 -6.980 1.00 0.00 N ATOM 81 CA ARG A 6 -8.871 -6.976 -7.811 1.00 0.00 C ATOM 82 C ARG A 6 -10.005 -5.972 -8.064 1.00 0.00 C ATOM 83 O ARG A 6 -9.823 -4.775 -7.843 1.00 0.00 O ATOM 84 CB ARG A 6 -8.247 -7.482 -9.122 1.00 0.00 C ATOM 85 CG ARG A 6 -7.543 -6.341 -9.882 1.00 0.00 C ATOM 86 CD ARG A 6 -6.848 -6.831 -11.156 1.00 0.00 C ATOM 87 NE ARG A 6 -5.727 -7.737 -10.848 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.318 -8.785 -11.550 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.933 -9.190 -12.644 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.255 -9.439 -11.149 1.00 0.00 N ATOM 0 H ARG A 6 -9.170 -9.023 -7.408 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.099 -6.439 -7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.530 -8.274 -8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.022 -7.918 -9.752 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.274 -5.575 -10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.808 -5.871 -9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.570 -7.346 -11.790 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.480 -5.976 -11.723 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.205 -7.534 -9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.757 -8.692 -12.980 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.585 -10.002 -13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.758 -9.139 -10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.925 -10.248 -11.676 1.00 0.00 H new ATOM 104 N CYS A 7 -11.202 -6.446 -8.423 1.00 0.00 N ATOM 105 CA CYS A 7 -12.383 -5.592 -8.636 1.00 0.00 C ATOM 106 C CYS A 7 -12.810 -4.819 -7.376 1.00 0.00 C ATOM 107 O CYS A 7 -13.225 -3.665 -7.476 1.00 0.00 O ATOM 108 CB CYS A 7 -13.543 -6.447 -9.166 1.00 0.00 C ATOM 109 SG CYS A 7 -13.183 -7.358 -10.692 1.00 0.00 S ATOM 0 H CYS A 7 -11.384 -7.438 -8.576 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.108 -4.837 -9.372 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.832 -7.160 -8.394 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.402 -5.800 -9.340 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.229 -8.044 -11.045 1.00 0.00 H new ATOM 114 N GLY A 8 -12.631 -5.415 -6.190 1.00 0.00 N ATOM 115 CA GLY A 8 -12.881 -4.772 -4.897 1.00 0.00 C ATOM 116 C GLY A 8 -11.809 -3.736 -4.573 1.00 0.00 C ATOM 117 O GLY A 8 -12.141 -2.611 -4.218 1.00 0.00 O ATOM 0 H GLY A 8 -12.302 -6.376 -6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.860 -4.293 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.907 -5.528 -4.112 1.00 0.00 H new ATOM 121 N LEU A 9 -10.529 -4.078 -4.754 1.00 0.00 N ATOM 122 CA LEU A 9 -9.386 -3.194 -4.547 1.00 0.00 C ATOM 123 C LEU A 9 -9.418 -1.982 -5.485 1.00 0.00 C ATOM 124 O LEU A 9 -9.318 -0.864 -4.993 1.00 0.00 O ATOM 125 CB LEU A 9 -8.106 -4.036 -4.701 1.00 0.00 C ATOM 126 CG LEU A 9 -6.821 -3.239 -4.424 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.798 -2.699 -2.988 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.595 -4.120 -4.677 1.00 0.00 C ATOM 0 H LEU A 9 -10.255 -5.012 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.418 -2.769 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.153 -4.885 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.064 -4.441 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.798 -2.386 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.877 -2.140 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.653 -2.042 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.848 -3.531 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.689 -3.548 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.628 -4.988 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.594 -4.453 -5.715 1.00 0.00 H new ATOM 140 N VAL A 10 -9.630 -2.178 -6.791 1.00 0.00 N ATOM 141 CA VAL A 10 -9.794 -1.081 -7.771 1.00 0.00 C ATOM 142 C VAL A 10 -10.844 -0.071 -7.279 1.00 0.00 C ATOM 143 O VAL A 10 -10.607 1.133 -7.283 1.00 0.00 O ATOM 144 CB VAL A 10 -10.184 -1.629 -9.169 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.678 -0.532 -10.125 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.002 -2.338 -9.849 1.00 0.00 C ATOM 0 H VAL A 10 -9.694 -3.107 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.835 -0.571 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.995 -2.332 -8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.936 -0.976 -11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.558 -0.049 -9.701 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.891 0.208 -10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.313 -2.708 -10.826 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.178 -1.635 -9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.675 -3.174 -9.231 1.00 0.00 H new ATOM 156 N HIS A 11 -11.982 -0.561 -6.784 1.00 0.00 N ATOM 157 CA HIS A 11 -13.066 0.266 -6.235 1.00 0.00 C ATOM 158 C HIS A 11 -12.702 0.939 -4.898 1.00 0.00 C ATOM 159 O HIS A 11 -13.008 2.114 -4.697 1.00 0.00 O ATOM 160 CB HIS A 11 -14.326 -0.594 -6.060 1.00 0.00 C ATOM 161 CG HIS A 11 -15.048 -0.974 -7.331 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.334 -1.520 -7.360 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.606 -0.817 -8.617 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.629 -1.690 -8.658 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.614 -1.277 -9.435 1.00 0.00 N ATOM 0 H HIS A 11 -12.183 -1.561 -6.751 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.246 1.070 -6.948 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.048 -1.508 -5.536 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.022 -0.057 -5.416 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.654 -0.412 -8.929 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.556 -2.103 -9.028 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.593 -1.300 -10.455 1.00 0.00 H new ATOM 173 N GLU A 12 -12.033 0.222 -3.995 1.00 0.00 N ATOM 174 CA GLU A 12 -11.620 0.723 -2.682 1.00 0.00 C ATOM 175 C GLU A 12 -10.631 1.887 -2.822 1.00 0.00 C ATOM 176 O GLU A 12 -10.780 2.916 -2.171 1.00 0.00 O ATOM 177 CB GLU A 12 -11.040 -0.443 -1.857 1.00 0.00 C ATOM 178 CG GLU A 12 -11.302 -0.339 -0.351 1.00 0.00 C ATOM 179 CD GLU A 12 -12.798 -0.220 -0.003 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.640 -0.925 -0.607 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.159 0.615 0.856 1.00 0.00 O ATOM 0 H GLU A 12 -11.756 -0.746 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.486 1.121 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.463 -1.378 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.964 -0.492 -2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.889 -1.217 0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.773 0.528 0.044 1.00 0.00 H new ATOM 188 N LEU A 13 -9.686 1.778 -3.757 1.00 0.00 N ATOM 189 CA LEU A 13 -8.715 2.828 -4.066 1.00 0.00 C ATOM 190 C LEU A 13 -9.352 4.005 -4.814 1.00 0.00 C ATOM 191 O LEU A 13 -9.037 5.156 -4.519 1.00 0.00 O ATOM 192 CB LEU A 13 -7.583 2.196 -4.881 1.00 0.00 C ATOM 193 CG LEU A 13 -6.839 1.062 -4.162 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.855 0.423 -5.142 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.093 1.529 -2.913 1.00 0.00 C ATOM 0 H LEU A 13 -9.572 0.942 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.325 3.244 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.995 1.810 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.866 2.973 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.584 0.341 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.319 -0.385 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.401 0.024 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.143 1.174 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.589 0.680 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.356 2.282 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.802 1.958 -2.205 1.00 0.00 H new ATOM 207 N ARG A 14 -10.292 3.739 -5.728 1.00 0.00 N ATOM 208 CA ARG A 14 -11.090 4.792 -6.389 1.00 0.00 C ATOM 209 C ARG A 14 -11.874 5.644 -5.371 1.00 0.00 C ATOM 210 O ARG A 14 -11.897 6.870 -5.489 1.00 0.00 O ATOM 211 CB ARG A 14 -12.053 4.190 -7.425 1.00 0.00 C ATOM 212 CG ARG A 14 -11.379 3.839 -8.760 1.00 0.00 C ATOM 213 CD ARG A 14 -12.320 2.968 -9.600 1.00 0.00 C ATOM 214 NE ARG A 14 -11.777 2.674 -10.936 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.345 1.874 -11.833 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.526 1.330 -11.636 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.736 1.584 -12.961 1.00 0.00 N ATOM 0 H ARG A 14 -10.525 2.794 -6.033 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.385 5.446 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.505 3.290 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.862 4.897 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.130 4.750 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.443 3.310 -8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.509 2.032 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.280 3.473 -9.705 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.896 3.119 -11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.036 1.517 -10.773 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.932 0.721 -12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.814 1.974 -13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.185 0.969 -13.639 1.00 0.00 H new ATOM 231 N LYS A 15 -12.461 5.027 -4.337 1.00 0.00 N ATOM 232 CA LYS A 15 -13.104 5.740 -3.217 1.00 0.00 C ATOM 233 C LYS A 15 -12.090 6.508 -2.344 1.00 0.00 C ATOM 234 O LYS A 15 -12.392 7.598 -1.853 1.00 0.00 O ATOM 235 CB LYS A 15 -13.893 4.741 -2.352 1.00 0.00 C ATOM 236 CG LYS A 15 -15.156 4.197 -3.042 1.00 0.00 C ATOM 237 CD LYS A 15 -15.906 3.169 -2.177 1.00 0.00 C ATOM 238 CE LYS A 15 -15.048 1.924 -1.911 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.746 0.908 -1.084 1.00 0.00 N ATOM 0 H LYS A 15 -12.505 4.012 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.780 6.479 -3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.243 3.906 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.179 5.227 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.824 5.026 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.878 3.735 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.188 3.627 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.829 2.876 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.761 1.476 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.128 2.223 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.103 0.113 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.042 1.337 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.583 0.561 -1.594 1.00 0.00 H new ATOM 253 N HIS A 16 -10.875 5.975 -2.188 1.00 0.00 N ATOM 254 CA HIS A 16 -9.818 6.524 -1.324 1.00 0.00 C ATOM 255 C HIS A 16 -8.893 7.558 -2.017 1.00 0.00 C ATOM 256 O HIS A 16 -7.932 8.034 -1.406 1.00 0.00 O ATOM 257 CB HIS A 16 -9.053 5.352 -0.682 1.00 0.00 C ATOM 258 CG HIS A 16 -9.881 4.510 0.267 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.237 4.672 0.581 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.399 3.452 0.977 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.531 3.683 1.441 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.449 2.936 1.703 1.00 0.00 N ATOM 0 H HIS A 16 -10.588 5.124 -2.672 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.293 7.116 -0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.665 4.711 -1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.193 5.748 -0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.383 3.086 0.971 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.509 3.512 1.865 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.411 2.131 2.328 1.00 0.00 H new ATOM 270 N GLY A 17 -9.190 7.943 -3.268 1.00 0.00 N ATOM 271 CA GLY A 17 -8.546 9.064 -3.974 1.00 0.00 C ATOM 272 C GLY A 17 -7.361 8.684 -4.865 1.00 0.00 C ATOM 273 O GLY A 17 -6.510 9.534 -5.133 1.00 0.00 O ATOM 0 H GLY A 17 -9.900 7.474 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.295 9.563 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.205 9.789 -3.235 1.00 0.00 H new ATOM 277 N PHE A 18 -7.284 7.432 -5.325 1.00 0.00 N ATOM 278 CA PHE A 18 -6.277 6.967 -6.283 1.00 0.00 C ATOM 279 C PHE A 18 -6.778 7.193 -7.725 1.00 0.00 C ATOM 280 O PHE A 18 -7.959 6.990 -8.016 1.00 0.00 O ATOM 281 CB PHE A 18 -5.951 5.490 -6.036 1.00 0.00 C ATOM 282 CG PHE A 18 -5.262 5.145 -4.723 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.895 5.368 -3.485 1.00 0.00 C ATOM 284 CD2 PHE A 18 -3.981 4.561 -4.740 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.240 5.059 -2.286 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.322 4.246 -3.539 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.949 4.501 -2.309 1.00 0.00 C ATOM 0 H PHE A 18 -7.932 6.699 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.360 7.541 -6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.881 4.924 -6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.318 5.141 -6.852 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.893 5.780 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.500 4.353 -5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.728 5.250 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.335 3.808 -3.562 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.442 4.270 -1.384 1.00 0.00 H new ATOM 297 N GLU A 19 -5.886 7.604 -8.630 1.00 0.00 N ATOM 298 CA GLU A 19 -6.238 7.962 -10.011 1.00 0.00 C ATOM 299 C GLU A 19 -6.453 6.721 -10.889 1.00 0.00 C ATOM 300 O GLU A 19 -5.666 5.774 -10.847 1.00 0.00 O ATOM 301 CB GLU A 19 -5.143 8.835 -10.644 1.00 0.00 C ATOM 302 CG GLU A 19 -4.849 10.151 -9.917 1.00 0.00 C ATOM 303 CD GLU A 19 -6.053 11.107 -9.936 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.282 11.775 -10.971 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.770 11.206 -8.913 1.00 0.00 O ATOM 0 H GLU A 19 -4.891 7.699 -8.426 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.173 8.519 -9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.222 8.254 -10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.432 9.063 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.572 9.939 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.993 10.638 -10.384 1.00 0.00 H new ATOM 312 N GLU A 20 -7.488 6.741 -11.736 1.00 0.00 N ATOM 313 CA GLU A 20 -7.860 5.611 -12.600 1.00 0.00 C ATOM 314 C GLU A 20 -6.771 5.208 -13.616 1.00 0.00 C ATOM 315 O GLU A 20 -6.694 4.040 -13.997 1.00 0.00 O ATOM 316 CB GLU A 20 -9.203 5.891 -13.300 1.00 0.00 C ATOM 317 CG GLU A 20 -9.168 7.061 -14.296 1.00 0.00 C ATOM 318 CD GLU A 20 -10.556 7.302 -14.908 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.870 6.703 -15.964 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.341 8.099 -14.340 1.00 0.00 O ATOM 0 H GLU A 20 -8.099 7.551 -11.843 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.969 4.748 -11.942 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.519 4.991 -13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.958 6.098 -12.542 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.827 7.964 -13.790 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.449 6.849 -15.087 1.00 0.00 H new ATOM 327 N ASN A 21 -5.890 6.136 -14.015 1.00 0.00 N ATOM 328 CA ASN A 21 -4.755 5.858 -14.904 1.00 0.00 C ATOM 329 C ASN A 21 -3.519 5.294 -14.167 1.00 0.00 C ATOM 330 O ASN A 21 -2.650 4.693 -14.803 1.00 0.00 O ATOM 331 CB ASN A 21 -4.404 7.116 -15.716 1.00 0.00 C ATOM 332 CG ASN A 21 -3.708 8.210 -14.907 1.00 0.00 C ATOM 333 OD1 ASN A 21 -4.053 8.484 -13.766 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.701 8.857 -15.465 1.00 0.00 N ATOM 0 H ASN A 21 -5.947 7.112 -13.726 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.069 5.068 -15.586 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.760 6.830 -16.548 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.319 7.524 -16.146 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.211 9.585 -14.944 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.413 8.629 -16.416 1.00 0.00 H new ATOM 341 N LEU A 22 -3.449 5.446 -12.837 1.00 0.00 N ATOM 342 CA LEU A 22 -2.414 4.846 -11.983 1.00 0.00 C ATOM 343 C LEU A 22 -2.877 3.527 -11.348 1.00 0.00 C ATOM 344 O LEU A 22 -2.040 2.727 -10.936 1.00 0.00 O ATOM 345 CB LEU A 22 -2.004 5.850 -10.890 1.00 0.00 C ATOM 346 CG LEU A 22 -1.460 7.204 -11.383 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.066 8.051 -10.166 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.256 7.062 -12.327 1.00 0.00 C ATOM 0 H LEU A 22 -4.125 6.002 -12.313 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.556 4.612 -12.613 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.870 6.039 -10.255 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.245 5.383 -10.263 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.251 7.687 -11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.679 9.013 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.941 8.212 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.298 7.531 -9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.080 8.051 -12.639 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.555 6.550 -11.808 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.548 6.484 -13.204 1.00 0.00 H new ATOM 360 N MET A 23 -4.191 3.283 -11.290 1.00 0.00 N ATOM 361 CA MET A 23 -4.839 2.127 -10.651 1.00 0.00 C ATOM 362 C MET A 23 -4.179 0.785 -11.009 1.00 0.00 C ATOM 363 O MET A 23 -3.869 0.002 -10.111 1.00 0.00 O ATOM 364 CB MET A 23 -6.332 2.172 -11.029 1.00 0.00 C ATOM 365 CG MET A 23 -7.246 1.332 -10.125 1.00 0.00 C ATOM 366 SD MET A 23 -7.184 1.782 -8.379 1.00 0.00 S ATOM 367 CE MET A 23 -7.663 3.521 -8.510 1.00 0.00 C ATOM 0 H MET A 23 -4.869 3.919 -11.709 1.00 0.00 H new ATOM 0 HA MET A 23 -4.721 2.195 -9.570 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.669 3.208 -11.002 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.444 1.827 -12.057 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.273 1.429 -10.477 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.972 0.282 -10.227 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.230 3.810 -7.625 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.769 4.140 -8.586 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.279 3.663 -9.398 1.00 0.00 H new ATOM 377 N ARG A 24 -3.863 0.555 -12.292 1.00 0.00 N ATOM 378 CA ARG A 24 -3.147 -0.638 -12.773 1.00 0.00 C ATOM 379 C ARG A 24 -1.795 -0.850 -12.070 1.00 0.00 C ATOM 380 O ARG A 24 -1.527 -1.944 -11.576 1.00 0.00 O ATOM 381 CB ARG A 24 -2.932 -0.551 -14.295 1.00 0.00 C ATOM 382 CG ARG A 24 -4.247 -0.457 -15.081 1.00 0.00 C ATOM 383 CD ARG A 24 -4.030 -0.473 -16.599 1.00 0.00 C ATOM 384 NE ARG A 24 -3.615 -1.803 -17.073 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.210 -2.119 -18.298 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.118 -1.218 -19.255 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.889 -3.360 -18.583 1.00 0.00 N ATOM 0 H ARG A 24 -4.102 1.206 -13.040 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.774 -1.497 -12.532 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.317 0.320 -14.520 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.377 -1.428 -14.629 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.893 -1.289 -14.801 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.768 0.459 -14.802 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.951 -0.178 -17.102 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.271 0.262 -16.866 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.641 -2.560 -16.390 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.361 -0.246 -19.065 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.804 -1.493 -20.186 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.951 -4.081 -17.864 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.578 -3.603 -19.523 1.00 0.00 H new ATOM 401 N ASN A 25 -0.964 0.193 -11.968 1.00 0.00 N ATOM 402 CA ASN A 25 0.302 0.143 -11.222 1.00 0.00 C ATOM 403 C ASN A 25 0.061 -0.088 -9.725 1.00 0.00 C ATOM 404 O ASN A 25 0.731 -0.928 -9.127 1.00 0.00 O ATOM 405 CB ASN A 25 1.115 1.433 -11.427 1.00 0.00 C ATOM 406 CG ASN A 25 1.854 1.470 -12.757 1.00 0.00 C ATOM 407 OD1 ASN A 25 2.918 0.881 -12.902 1.00 0.00 O ATOM 408 ND2 ASN A 25 1.332 2.168 -13.750 1.00 0.00 N ATOM 0 H ASN A 25 -1.149 1.098 -12.401 1.00 0.00 H new ATOM 0 HA ASN A 25 0.873 -0.699 -11.613 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.445 2.291 -11.367 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.835 1.534 -10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.816 2.220 -14.647 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.445 2.655 -13.620 1.00 0.00 H new ATOM 415 N TRP A 26 -0.925 0.592 -9.126 1.00 0.00 N ATOM 416 CA TRP A 26 -1.238 0.466 -7.702 1.00 0.00 C ATOM 417 C TRP A 26 -1.718 -0.941 -7.324 1.00 0.00 C ATOM 418 O TRP A 26 -1.151 -1.540 -6.408 1.00 0.00 O ATOM 419 CB TRP A 26 -2.246 1.549 -7.297 1.00 0.00 C ATOM 420 CG TRP A 26 -1.645 2.902 -7.077 1.00 0.00 C ATOM 421 CD1 TRP A 26 -1.876 4.013 -7.811 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.728 3.312 -6.015 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.178 5.078 -7.276 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.488 4.713 -6.138 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.093 2.640 -4.949 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.299 5.420 -5.216 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.710 3.336 -4.026 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.895 4.725 -4.150 1.00 0.00 C ATOM 0 H TRP A 26 -1.530 1.248 -9.621 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.317 0.618 -7.139 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.009 1.625 -8.071 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.750 1.236 -6.383 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.510 4.061 -8.684 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.173 6.018 -7.673 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.225 1.574 -4.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.445 6.485 -5.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.187 2.801 -3.218 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.495 5.257 -3.426 1.00 0.00 H new ATOM 439 N VAL A 27 -2.685 -1.515 -8.050 1.00 0.00 N ATOM 440 CA VAL A 27 -3.158 -2.880 -7.742 1.00 0.00 C ATOM 441 C VAL A 27 -2.073 -3.928 -8.005 1.00 0.00 C ATOM 442 O VAL A 27 -1.960 -4.878 -7.241 1.00 0.00 O ATOM 443 CB VAL A 27 -4.484 -3.283 -8.424 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.581 -2.246 -8.148 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.354 -3.554 -9.930 1.00 0.00 C ATOM 0 H VAL A 27 -3.151 -1.070 -8.841 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.379 -2.852 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.770 -4.234 -7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.504 -2.553 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.749 -2.171 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.270 -1.276 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.327 -3.831 -10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.994 -2.656 -10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.648 -4.368 -10.094 1.00 0.00 H new ATOM 455 N CYS A 28 -1.217 -3.731 -9.018 1.00 0.00 N ATOM 456 CA CYS A 28 -0.126 -4.663 -9.333 1.00 0.00 C ATOM 457 C CYS A 28 1.029 -4.592 -8.316 1.00 0.00 C ATOM 458 O CYS A 28 1.610 -5.622 -7.970 1.00 0.00 O ATOM 459 CB CYS A 28 0.321 -4.395 -10.772 1.00 0.00 C ATOM 460 SG CYS A 28 1.281 -5.725 -11.538 1.00 0.00 S ATOM 0 H CYS A 28 -1.261 -2.924 -9.640 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.485 -5.689 -9.254 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.563 -4.208 -11.382 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.917 -3.483 -10.787 1.00 0.00 H new ATOM 0 HG CYS A 28 2.168 -6.162 -10.694 1.00 0.00 H new ATOM 465 N LEU A 29 1.297 -3.401 -7.762 1.00 0.00 N ATOM 466 CA LEU A 29 2.196 -3.166 -6.624 1.00 0.00 C ATOM 467 C LEU A 29 1.646 -3.857 -5.375 1.00 0.00 C ATOM 468 O LEU A 29 2.333 -4.676 -4.768 1.00 0.00 O ATOM 469 CB LEU A 29 2.358 -1.634 -6.474 1.00 0.00 C ATOM 470 CG LEU A 29 3.228 -1.091 -5.316 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.537 0.386 -5.613 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.545 -1.154 -3.939 1.00 0.00 C ATOM 0 H LEU A 29 0.876 -2.540 -8.109 1.00 0.00 H new ATOM 0 HA LEU A 29 3.184 -3.597 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.773 -1.252 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.362 -1.205 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 29 4.118 -1.719 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.151 0.798 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.075 0.462 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.605 0.946 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.219 -0.756 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.630 -0.562 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.302 -2.189 -3.701 1.00 0.00 H new ATOM 484 N VAL A 30 0.389 -3.576 -5.022 1.00 0.00 N ATOM 485 CA VAL A 30 -0.282 -4.144 -3.840 1.00 0.00 C ATOM 486 C VAL A 30 -0.358 -5.677 -3.910 1.00 0.00 C ATOM 487 O VAL A 30 -0.105 -6.349 -2.909 1.00 0.00 O ATOM 488 CB VAL A 30 -1.684 -3.516 -3.672 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.589 -4.314 -2.728 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.562 -2.072 -3.150 1.00 0.00 C ATOM 0 H VAL A 30 -0.204 -2.939 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 30 0.314 -3.899 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.146 -3.528 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.559 -3.822 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.723 -5.323 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.130 -4.366 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.557 -1.641 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.055 -2.076 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.987 -1.476 -3.859 1.00 0.00 H new ATOM 500 N GLU A 31 -0.645 -6.238 -5.090 1.00 0.00 N ATOM 501 CA GLU A 31 -0.676 -7.689 -5.303 1.00 0.00 C ATOM 502 C GLU A 31 0.689 -8.367 -5.079 1.00 0.00 C ATOM 503 O GLU A 31 0.729 -9.529 -4.675 1.00 0.00 O ATOM 504 CB GLU A 31 -1.198 -8.009 -6.715 1.00 0.00 C ATOM 505 CG GLU A 31 -2.729 -7.927 -6.766 1.00 0.00 C ATOM 506 CD GLU A 31 -3.323 -8.003 -8.175 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.626 -8.351 -9.152 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.548 -7.776 -8.299 1.00 0.00 O ATOM 0 H GLU A 31 -0.863 -5.697 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.355 -8.097 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.769 -7.310 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.874 -9.007 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.144 -8.737 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.046 -6.993 -6.302 1.00 0.00 H new ATOM 515 N HIS A 32 1.807 -7.657 -5.260 1.00 0.00 N ATOM 516 CA HIS A 32 3.144 -8.163 -4.939 1.00 0.00 C ATOM 517 C HIS A 32 3.554 -7.939 -3.466 1.00 0.00 C ATOM 518 O HIS A 32 4.222 -8.791 -2.874 1.00 0.00 O ATOM 519 CB HIS A 32 4.146 -7.502 -5.888 1.00 0.00 C ATOM 520 CG HIS A 32 5.381 -8.335 -6.080 1.00 0.00 C ATOM 521 ND1 HIS A 32 6.486 -8.385 -5.228 1.00 0.00 N ATOM 522 CD2 HIS A 32 5.575 -9.201 -7.111 1.00 0.00 C ATOM 523 CE1 HIS A 32 7.333 -9.264 -5.792 1.00 0.00 C ATOM 524 NE2 HIS A 32 6.815 -9.768 -6.926 1.00 0.00 N ATOM 0 H HIS A 32 1.809 -6.709 -5.636 1.00 0.00 H new ATOM 0 HA HIS A 32 3.135 -9.245 -5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.671 -7.332 -6.854 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.426 -6.525 -5.494 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.888 -9.404 -7.919 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.299 -9.529 -5.389 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.262 -10.449 -7.540 1.00 0.00 H new ATOM 532 N GLU A 33 3.143 -6.813 -2.866 1.00 0.00 N ATOM 533 CA GLU A 33 3.552 -6.426 -1.510 1.00 0.00 C ATOM 534 C GLU A 33 2.768 -7.198 -0.432 1.00 0.00 C ATOM 535 O GLU A 33 3.371 -7.789 0.464 1.00 0.00 O ATOM 536 CB GLU A 33 3.410 -4.904 -1.316 1.00 0.00 C ATOM 537 CG GLU A 33 4.437 -4.067 -2.101 1.00 0.00 C ATOM 538 CD GLU A 33 5.902 -4.244 -1.657 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.172 -4.746 -0.542 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.800 -3.849 -2.437 1.00 0.00 O ATOM 0 H GLU A 33 2.515 -6.143 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 33 4.602 -6.692 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.407 -4.603 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.506 -4.674 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.360 -4.324 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.171 -3.014 -2.009 1.00 0.00 H new ATOM 547 N SER A 34 1.438 -7.263 -0.542 1.00 0.00 N ATOM 548 CA SER A 34 0.568 -7.984 0.409 1.00 0.00 C ATOM 549 C SER A 34 -0.292 -9.083 -0.224 1.00 0.00 C ATOM 550 O SER A 34 -0.905 -9.866 0.500 1.00 0.00 O ATOM 551 CB SER A 34 -0.407 -7.015 1.089 1.00 0.00 C ATOM 552 OG SER A 34 -1.242 -6.360 0.143 1.00 0.00 O ATOM 0 H SER A 34 0.924 -6.814 -1.300 1.00 0.00 H new ATOM 0 HA SER A 34 1.263 -8.445 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.024 -7.561 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.154 -6.272 1.655 1.00 0.00 H new ATOM 0 HG SER A 34 -1.028 -5.404 0.125 1.00 0.00 H new ATOM 558 N SER A 35 -0.391 -9.130 -1.555 1.00 0.00 N ATOM 559 CA SER A 35 -1.374 -9.959 -2.272 1.00 0.00 C ATOM 560 C SER A 35 -2.822 -9.539 -1.940 1.00 0.00 C ATOM 561 O SER A 35 -3.728 -10.376 -1.918 1.00 0.00 O ATOM 562 CB SER A 35 -1.128 -11.469 -2.099 1.00 0.00 C ATOM 563 OG SER A 35 0.213 -11.839 -2.412 1.00 0.00 O ATOM 0 H SER A 35 0.213 -8.590 -2.175 1.00 0.00 H new ATOM 0 HA SER A 35 -1.230 -9.769 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.351 -11.756 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.814 -12.022 -2.740 1.00 0.00 H new ATOM 0 HG SER A 35 0.570 -11.231 -3.092 1.00 0.00 H new ATOM 569 N ARG A 36 -3.038 -8.233 -1.682 1.00 0.00 N ATOM 570 CA ARG A 36 -4.344 -7.607 -1.412 1.00 0.00 C ATOM 571 C ARG A 36 -4.898 -7.961 -0.017 1.00 0.00 C ATOM 572 O ARG A 36 -6.112 -7.962 0.180 1.00 0.00 O ATOM 573 CB ARG A 36 -5.377 -7.893 -2.525 1.00 0.00 C ATOM 574 CG ARG A 36 -4.833 -7.785 -3.961 1.00 0.00 C ATOM 575 CD ARG A 36 -5.953 -7.832 -5.011 1.00 0.00 C ATOM 576 NE ARG A 36 -6.590 -9.160 -5.031 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.560 -10.075 -5.992 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.012 -9.869 -7.171 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.111 -11.248 -5.767 1.00 0.00 N ATOM 0 H ARG A 36 -2.273 -7.559 -1.656 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.163 -6.532 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.778 -8.896 -2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.209 -7.198 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.276 -6.854 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.131 -8.599 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.699 -7.068 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.545 -7.603 -5.996 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.124 -9.409 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.581 -8.969 -7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.018 -10.609 -7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.551 -11.441 -4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.099 -11.965 -6.492 1.00 0.00 H new ATOM 593 N ASP A 37 -4.029 -8.247 0.955 1.00 0.00 N ATOM 594 CA ASP A 37 -4.381 -8.706 2.314 1.00 0.00 C ATOM 595 C ASP A 37 -3.904 -7.721 3.391 1.00 0.00 C ATOM 596 O ASP A 37 -2.697 -7.530 3.570 1.00 0.00 O ATOM 597 CB ASP A 37 -3.773 -10.101 2.555 1.00 0.00 C ATOM 598 CG ASP A 37 -4.008 -10.662 3.971 1.00 0.00 C ATOM 599 OD1 ASP A 37 -4.897 -10.165 4.701 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.269 -11.607 4.342 1.00 0.00 O ATOM 0 H ASP A 37 -3.021 -8.164 0.819 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.467 -8.760 2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.191 -10.797 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.700 -10.053 2.370 1.00 0.00 H new ATOM 605 N THR A 38 -4.842 -7.103 4.126 1.00 0.00 N ATOM 606 CA THR A 38 -4.493 -6.132 5.182 1.00 0.00 C ATOM 607 C THR A 38 -3.797 -6.787 6.366 1.00 0.00 C ATOM 608 O THR A 38 -3.021 -6.124 7.042 1.00 0.00 O ATOM 609 CB THR A 38 -5.682 -5.316 5.702 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.688 -6.139 6.227 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.328 -4.447 4.633 1.00 0.00 C ATOM 0 H THR A 38 -5.844 -7.256 4.011 1.00 0.00 H new ATOM 0 HA THR A 38 -3.808 -5.445 4.685 1.00 0.00 H new ATOM 0 HB THR A 38 -5.256 -4.679 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.260 -5.615 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.162 -3.896 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.593 -3.743 4.243 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.692 -5.078 3.822 1.00 0.00 H new ATOM 619 N SER A 39 -4.004 -8.079 6.613 1.00 0.00 N ATOM 620 CA SER A 39 -3.397 -8.798 7.740 1.00 0.00 C ATOM 621 C SER A 39 -1.902 -9.124 7.535 1.00 0.00 C ATOM 622 O SER A 39 -1.257 -9.665 8.437 1.00 0.00 O ATOM 623 CB SER A 39 -4.166 -10.104 7.989 1.00 0.00 C ATOM 624 OG SER A 39 -5.538 -9.888 8.301 1.00 0.00 O ATOM 0 H SER A 39 -4.603 -8.665 6.032 1.00 0.00 H new ATOM 0 HA SER A 39 -3.460 -8.132 8.600 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.095 -10.736 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.694 -10.648 8.807 1.00 0.00 H new ATOM 0 HG SER A 39 -5.980 -10.750 8.448 1.00 0.00 H new ATOM 630 N LYS A 40 -1.333 -8.830 6.359 1.00 0.00 N ATOM 631 CA LYS A 40 0.019 -9.252 5.982 1.00 0.00 C ATOM 632 C LYS A 40 1.132 -8.409 6.645 1.00 0.00 C ATOM 633 O LYS A 40 1.015 -7.185 6.789 1.00 0.00 O ATOM 634 CB LYS A 40 0.121 -9.258 4.441 1.00 0.00 C ATOM 635 CG LYS A 40 1.195 -10.222 3.899 1.00 0.00 C ATOM 636 CD LYS A 40 0.727 -11.689 3.916 1.00 0.00 C ATOM 637 CE LYS A 40 -0.254 -11.949 2.764 1.00 0.00 C ATOM 638 NZ LYS A 40 -1.200 -13.053 3.062 1.00 0.00 N ATOM 0 H LYS A 40 -1.805 -8.287 5.636 1.00 0.00 H new ATOM 0 HA LYS A 40 0.185 -10.260 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.847 -9.533 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.343 -8.248 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.454 -9.937 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.101 -10.125 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.587 -12.353 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.247 -11.914 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.817 -11.038 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.307 -12.189 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.483 -13.516 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.738 -13.748 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.042 -12.670 3.537 1.00 0.00 H new ATOM 652 N THR A 41 2.247 -9.069 6.980 1.00 0.00 N ATOM 653 CA THR A 41 3.468 -8.492 7.580 1.00 0.00 C ATOM 654 C THR A 41 4.729 -9.187 7.082 1.00 0.00 C ATOM 655 O THR A 41 4.679 -10.330 6.628 1.00 0.00 O ATOM 656 CB THR A 41 3.451 -8.546 9.120 1.00 0.00 C ATOM 657 OG1 THR A 41 3.068 -9.836 9.544 1.00 0.00 O ATOM 658 CG2 THR A 41 2.538 -7.516 9.776 1.00 0.00 C ATOM 0 H THR A 41 2.332 -10.075 6.834 1.00 0.00 H new ATOM 0 HA THR A 41 3.479 -7.449 7.265 1.00 0.00 H new ATOM 0 HB THR A 41 4.466 -8.305 9.437 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.059 -9.869 10.523 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.587 -7.624 10.860 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.861 -6.513 9.497 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.513 -7.673 9.441 1.00 0.00 H new ATOM 666 N ASN A 42 5.862 -8.486 7.189 1.00 0.00 N ATOM 667 CA ASN A 42 7.196 -8.963 6.795 1.00 0.00 C ATOM 668 C ASN A 42 8.306 -8.277 7.618 1.00 0.00 C ATOM 669 O ASN A 42 8.291 -7.055 7.778 1.00 0.00 O ATOM 670 CB ASN A 42 7.412 -8.697 5.292 1.00 0.00 C ATOM 671 CG ASN A 42 6.753 -9.735 4.387 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.049 -10.923 4.456 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.873 -9.320 3.492 1.00 0.00 N ATOM 0 H ASN A 42 5.879 -7.538 7.565 1.00 0.00 H new ATOM 0 HA ASN A 42 7.250 -10.034 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.019 -7.711 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.482 -8.674 5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.438 -9.989 2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.629 -8.331 3.437 1.00 0.00 H new ATOM 680 N THR A 43 9.268 -9.047 8.143 1.00 0.00 N ATOM 681 CA THR A 43 10.388 -8.559 8.979 1.00 0.00 C ATOM 682 C THR A 43 11.588 -8.180 8.107 1.00 0.00 C ATOM 683 O THR A 43 11.827 -8.800 7.072 1.00 0.00 O ATOM 684 CB THR A 43 10.799 -9.628 10.002 1.00 0.00 C ATOM 685 OG1 THR A 43 9.643 -10.154 10.619 1.00 0.00 O ATOM 686 CG2 THR A 43 11.685 -9.070 11.118 1.00 0.00 C ATOM 0 H THR A 43 9.295 -10.056 7.997 1.00 0.00 H new ATOM 0 HA THR A 43 10.051 -7.671 9.513 1.00 0.00 H new ATOM 0 HB THR A 43 11.357 -10.385 9.452 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.903 -10.838 11.271 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.944 -9.870 11.811 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.596 -8.655 10.686 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.147 -8.287 11.653 1.00 0.00 H new ATOM 694 N ASN A 44 12.357 -7.182 8.543 1.00 0.00 N ATOM 695 CA ASN A 44 13.555 -6.666 7.867 1.00 0.00 C ATOM 696 C ASN A 44 14.844 -7.002 8.640 1.00 0.00 C ATOM 697 O ASN A 44 14.828 -7.197 9.859 1.00 0.00 O ATOM 698 CB ASN A 44 13.435 -5.141 7.701 1.00 0.00 C ATOM 699 CG ASN A 44 12.216 -4.728 6.885 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.278 -4.588 5.670 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.090 -4.519 7.539 1.00 0.00 N ATOM 0 H ASN A 44 12.157 -6.688 9.413 1.00 0.00 H new ATOM 0 HA ASN A 44 13.619 -7.148 6.891 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.381 -4.676 8.686 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.335 -4.761 7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.251 -4.236 7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.058 -4.641 8.551 1.00 0.00 H new ATOM 708 N ARG A 45 15.987 -6.984 7.940 1.00 0.00 N ATOM 709 CA ARG A 45 17.325 -7.262 8.508 1.00 0.00 C ATOM 710 C ARG A 45 17.755 -6.256 9.591 1.00 0.00 C ATOM 711 O ARG A 45 18.561 -6.583 10.464 1.00 0.00 O ATOM 712 CB ARG A 45 18.382 -7.297 7.390 1.00 0.00 C ATOM 713 CG ARG A 45 18.049 -8.329 6.303 1.00 0.00 C ATOM 714 CD ARG A 45 19.184 -8.447 5.277 1.00 0.00 C ATOM 715 NE ARG A 45 18.849 -9.410 4.210 1.00 0.00 N ATOM 716 CZ ARG A 45 19.006 -10.730 4.243 1.00 0.00 C ATOM 717 NH1 ARG A 45 19.495 -11.355 5.294 1.00 0.00 N ATOM 718 NH2 ARG A 45 18.663 -11.451 3.197 1.00 0.00 N ATOM 0 H ARG A 45 16.014 -6.772 6.943 1.00 0.00 H new ATOM 0 HA ARG A 45 17.251 -8.236 8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.461 -6.309 6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.356 -7.529 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.871 -9.301 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.127 -8.042 5.797 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.382 -7.469 4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.099 -8.762 5.779 1.00 0.00 H new ATOM 0 HE ARG A 45 18.454 -9.021 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.768 -10.825 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.600 -12.369 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.280 -10.997 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.781 -12.464 3.215 1.00 0.00 H new ATOM 732 N ASN A 46 17.181 -5.050 9.563 1.00 0.00 N ATOM 733 CA ASN A 46 17.406 -3.981 10.549 1.00 0.00 C ATOM 734 C ASN A 46 16.589 -4.141 11.855 1.00 0.00 C ATOM 735 O ASN A 46 16.744 -3.339 12.778 1.00 0.00 O ATOM 736 CB ASN A 46 17.113 -2.623 9.882 1.00 0.00 C ATOM 737 CG ASN A 46 18.024 -2.329 8.691 1.00 0.00 C ATOM 738 OD1 ASN A 46 19.229 -2.549 8.728 1.00 0.00 O ATOM 739 ND2 ASN A 46 17.476 -1.832 7.595 1.00 0.00 N ATOM 0 H ASN A 46 16.525 -4.779 8.831 1.00 0.00 H new ATOM 0 HA ASN A 46 18.449 -4.043 10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 46 16.075 -2.605 9.550 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.225 -1.830 10.622 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.056 -1.632 6.780 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.473 -1.649 7.564 1.00 0.00 H new ATOM 746 N GLY A 47 15.707 -5.151 11.943 1.00 0.00 N ATOM 747 CA GLY A 47 14.850 -5.432 13.108 1.00 0.00 C ATOM 748 C GLY A 47 13.492 -4.719 13.092 1.00 0.00 C ATOM 749 O GLY A 47 12.679 -4.932 13.989 1.00 0.00 O ATOM 0 H GLY A 47 15.566 -5.815 11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.680 -6.507 13.166 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.385 -5.145 14.013 1.00 0.00 H new ATOM 753 N SER A 48 13.224 -3.890 12.082 1.00 0.00 N ATOM 754 CA SER A 48 11.910 -3.292 11.815 1.00 0.00 C ATOM 755 C SER A 48 10.993 -4.257 11.041 1.00 0.00 C ATOM 756 O SER A 48 11.440 -5.250 10.458 1.00 0.00 O ATOM 757 CB SER A 48 12.108 -1.973 11.051 1.00 0.00 C ATOM 758 OG SER A 48 12.828 -2.175 9.838 1.00 0.00 O ATOM 0 H SER A 48 13.934 -3.606 11.406 1.00 0.00 H new ATOM 0 HA SER A 48 11.413 -3.088 12.764 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.137 -1.530 10.829 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.645 -1.264 11.681 1.00 0.00 H new ATOM 0 HG SER A 48 12.839 -1.342 9.322 1.00 0.00 H new ATOM 764 N LYS A 49 9.694 -3.965 11.001 1.00 0.00 N ATOM 765 CA LYS A 49 8.677 -4.780 10.329 1.00 0.00 C ATOM 766 C LYS A 49 7.759 -3.906 9.460 1.00 0.00 C ATOM 767 O LYS A 49 7.533 -2.724 9.735 1.00 0.00 O ATOM 768 CB LYS A 49 7.896 -5.593 11.382 1.00 0.00 C ATOM 769 CG LYS A 49 7.290 -6.913 10.881 1.00 0.00 C ATOM 770 CD LYS A 49 6.382 -7.521 11.963 1.00 0.00 C ATOM 771 CE LYS A 49 6.048 -9.000 11.714 1.00 0.00 C ATOM 772 NZ LYS A 49 7.168 -9.903 12.084 1.00 0.00 N ATOM 0 H LYS A 49 9.307 -3.133 11.446 1.00 0.00 H new ATOM 0 HA LYS A 49 9.160 -5.484 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.564 -5.813 12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.092 -4.970 11.774 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.717 -6.737 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.085 -7.614 10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.869 -7.424 12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.455 -6.950 12.013 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.162 -9.271 12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.803 -9.142 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.828 -10.885 12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.929 -9.818 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.532 -9.638 13.021 1.00 0.00 H new ATOM 786 N ASP A 50 7.246 -4.515 8.400 1.00 0.00 N ATOM 787 CA ASP A 50 6.352 -3.931 7.406 1.00 0.00 C ATOM 788 C ASP A 50 4.920 -4.412 7.662 1.00 0.00 C ATOM 789 O ASP A 50 4.723 -5.580 7.996 1.00 0.00 O ATOM 790 CB ASP A 50 6.790 -4.385 6.005 1.00 0.00 C ATOM 791 CG ASP A 50 8.197 -3.945 5.559 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.870 -3.160 6.270 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.637 -4.427 4.489 1.00 0.00 O ATOM 0 H ASP A 50 7.456 -5.492 8.197 1.00 0.00 H new ATOM 0 HA ASP A 50 6.392 -2.844 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.743 -5.473 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.067 -4.009 5.281 1.00 0.00 H new ATOM 798 N TYR A 51 3.927 -3.537 7.485 1.00 0.00 N ATOM 799 CA TYR A 51 2.533 -3.768 7.895 1.00 0.00 C ATOM 800 C TYR A 51 1.501 -3.314 6.851 1.00 0.00 C ATOM 801 O TYR A 51 1.715 -2.357 6.100 1.00 0.00 O ATOM 802 CB TYR A 51 2.269 -3.013 9.207 1.00 0.00 C ATOM 803 CG TYR A 51 3.072 -3.461 10.410 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.352 -2.922 10.637 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.513 -4.350 11.348 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.072 -3.274 11.788 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.228 -4.705 12.507 1.00 0.00 C ATOM 808 CZ TYR A 51 4.513 -4.163 12.734 1.00 0.00 C ATOM 809 OH TYR A 51 5.214 -4.492 13.855 1.00 0.00 O ATOM 0 H TYR A 51 4.069 -2.628 7.044 1.00 0.00 H new ATOM 0 HA TYR A 51 2.414 -4.845 8.014 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.466 -1.954 9.039 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.210 -3.106 9.448 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.781 -2.235 9.923 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.529 -4.762 11.177 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.058 -2.864 11.952 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.796 -5.390 13.221 1.00 0.00 H new ATOM 0 HH TYR A 51 4.686 -5.112 14.400 1.00 0.00 H new ATOM 819 N GLY A 52 0.343 -3.976 6.835 1.00 0.00 N ATOM 820 CA GLY A 52 -0.828 -3.547 6.070 1.00 0.00 C ATOM 821 C GLY A 52 -0.808 -3.977 4.613 1.00 0.00 C ATOM 822 O GLY A 52 -0.221 -4.997 4.260 1.00 0.00 O ATOM 0 H GLY A 52 0.190 -4.837 7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.725 -3.947 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.901 -2.460 6.116 1.00 0.00 H new ATOM 826 N LEU A 53 -1.479 -3.192 3.767 1.00 0.00 N ATOM 827 CA LEU A 53 -1.661 -3.511 2.348 1.00 0.00 C ATOM 828 C LEU A 53 -0.539 -3.003 1.430 1.00 0.00 C ATOM 829 O LEU A 53 -0.348 -3.530 0.333 1.00 0.00 O ATOM 830 CB LEU A 53 -3.020 -2.935 1.902 1.00 0.00 C ATOM 831 CG LEU A 53 -3.671 -3.808 0.821 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.522 -4.890 1.471 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.567 -3.014 -0.118 1.00 0.00 C ATOM 0 H LEU A 53 -1.914 -2.313 4.048 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.629 -4.596 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.686 -2.862 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.880 -1.924 1.520 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.854 -4.237 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.981 -5.506 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.894 -5.514 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.301 -4.426 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.000 -3.684 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.366 -2.542 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.978 -2.247 -0.620 1.00 0.00 H new ATOM 845 N PHE A 54 0.197 -1.992 1.898 1.00 0.00 N ATOM 846 CA PHE A 54 1.320 -1.355 1.203 1.00 0.00 C ATOM 847 C PHE A 54 2.654 -1.630 1.922 1.00 0.00 C ATOM 848 O PHE A 54 3.658 -0.996 1.607 1.00 0.00 O ATOM 849 CB PHE A 54 1.042 0.155 1.075 1.00 0.00 C ATOM 850 CG PHE A 54 -0.228 0.526 0.332 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.460 0.547 1.012 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.178 0.894 -1.026 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.636 0.917 0.344 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.355 1.285 -1.689 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.586 1.292 -1.009 1.00 0.00 C ATOM 0 H PHE A 54 0.019 -1.576 2.812 1.00 0.00 H new ATOM 0 HA PHE A 54 1.413 -1.782 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.995 0.584 2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.887 0.620 0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.500 0.276 2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.762 0.876 -1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.580 0.914 0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.313 1.582 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.489 1.584 -1.525 1.00 0.00 H new ATOM 865 N GLN A 55 2.660 -2.544 2.900 1.00 0.00 N ATOM 866 CA GLN A 55 3.841 -3.037 3.619 1.00 0.00 C ATOM 867 C GLN A 55 4.642 -1.867 4.232 1.00 0.00 C ATOM 868 O GLN A 55 5.835 -1.675 3.990 1.00 0.00 O ATOM 869 CB GLN A 55 4.673 -3.978 2.703 1.00 0.00 C ATOM 870 CG GLN A 55 4.281 -5.459 2.836 1.00 0.00 C ATOM 871 CD GLN A 55 2.776 -5.660 2.813 1.00 0.00 C ATOM 872 OE1 GLN A 55 2.075 -5.143 1.960 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.214 -6.304 3.812 1.00 0.00 N ATOM 0 H GLN A 55 1.799 -2.981 3.227 1.00 0.00 H new ATOM 0 HA GLN A 55 3.531 -3.645 4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.548 -3.668 1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.730 -3.866 2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.734 -6.027 2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.685 -5.857 3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.794 -6.739 4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.198 -6.369 3.870 1.00 0.00 H new ATOM 882 N ILE A 56 3.942 -1.028 4.994 1.00 0.00 N ATOM 883 CA ILE A 56 4.456 0.239 5.523 1.00 0.00 C ATOM 884 C ILE A 56 5.277 -0.041 6.786 1.00 0.00 C ATOM 885 O ILE A 56 4.840 -0.797 7.654 1.00 0.00 O ATOM 886 CB ILE A 56 3.292 1.228 5.771 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.358 1.303 4.536 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.864 2.610 6.090 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.246 2.352 4.596 1.00 0.00 C ATOM 0 H ILE A 56 2.977 -1.213 5.269 1.00 0.00 H new ATOM 0 HA ILE A 56 5.116 0.714 4.797 1.00 0.00 H new ATOM 0 HB ILE A 56 2.701 0.875 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.969 1.501 3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.899 0.325 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.047 3.310 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.487 2.549 6.982 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.466 2.957 5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.658 2.312 3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.600 2.149 5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.686 3.343 4.701 1.00 0.00 H new ATOM 901 N ASN A 57 6.468 0.550 6.888 1.00 0.00 N ATOM 902 CA ASN A 57 7.445 0.202 7.918 1.00 0.00 C ATOM 903 C ASN A 57 7.366 1.110 9.159 1.00 0.00 C ATOM 904 O ASN A 57 7.273 2.338 9.054 1.00 0.00 O ATOM 905 CB ASN A 57 8.840 0.238 7.293 1.00 0.00 C ATOM 906 CG ASN A 57 9.913 -0.285 8.237 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.411 0.436 9.090 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.299 -1.536 8.109 1.00 0.00 N ATOM 0 H ASN A 57 6.782 1.286 6.256 1.00 0.00 H new ATOM 0 HA ASN A 57 7.218 -0.801 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.842 -0.358 6.380 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.080 1.262 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.020 -1.913 8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.877 -2.129 7.394 1.00 0.00 H new ATOM 915 N ASP A 58 7.459 0.485 10.335 1.00 0.00 N ATOM 916 CA ASP A 58 7.334 1.116 11.657 1.00 0.00 C ATOM 917 C ASP A 58 8.404 2.164 12.022 1.00 0.00 C ATOM 918 O ASP A 58 8.258 2.860 13.029 1.00 0.00 O ATOM 919 CB ASP A 58 7.294 0.029 12.739 1.00 0.00 C ATOM 920 CG ASP A 58 8.671 -0.566 13.081 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.066 -1.571 12.451 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.339 -0.048 14.006 1.00 0.00 O ATOM 0 H ASP A 58 7.631 -0.518 10.398 1.00 0.00 H new ATOM 0 HA ASP A 58 6.404 1.682 11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.856 0.449 13.645 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.635 -0.774 12.409 1.00 0.00 H new ATOM 927 N ARG A 59 9.477 2.269 11.233 1.00 0.00 N ATOM 928 CA ARG A 59 10.609 3.170 11.472 1.00 0.00 C ATOM 929 C ARG A 59 10.437 4.553 10.817 1.00 0.00 C ATOM 930 O ARG A 59 11.130 5.494 11.203 1.00 0.00 O ATOM 931 CB ARG A 59 11.876 2.467 10.957 1.00 0.00 C ATOM 932 CG ARG A 59 13.166 3.097 11.488 1.00 0.00 C ATOM 933 CD ARG A 59 14.372 2.213 11.164 1.00 0.00 C ATOM 934 NE ARG A 59 15.565 2.715 11.864 1.00 0.00 N ATOM 935 CZ ARG A 59 16.647 3.276 11.333 1.00 0.00 C ATOM 936 NH1 ARG A 59 16.791 3.459 10.036 1.00 0.00 N ATOM 937 NH2 ARG A 59 17.622 3.673 12.123 1.00 0.00 N ATOM 0 H ARG A 59 9.586 1.713 10.385 1.00 0.00 H new ATOM 0 HA ARG A 59 10.678 3.371 12.541 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.845 1.417 11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.885 2.498 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.303 4.084 11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.091 3.238 12.566 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.170 1.184 11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.548 2.204 10.088 1.00 0.00 H new ATOM 0 HE ARG A 59 15.561 2.621 12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.054 3.166 9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.639 3.894 9.673 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.543 3.549 13.132 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.457 4.105 11.726 1.00 0.00 H new ATOM 951 N TYR A 60 9.503 4.705 9.870 1.00 0.00 N ATOM 952 CA TYR A 60 9.433 5.888 8.992 1.00 0.00 C ATOM 953 C TYR A 60 8.052 6.548 8.866 1.00 0.00 C ATOM 954 O TYR A 60 7.927 7.755 9.083 1.00 0.00 O ATOM 955 CB TYR A 60 9.921 5.461 7.595 1.00 0.00 C ATOM 956 CG TYR A 60 11.300 4.815 7.556 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.414 5.462 8.129 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.458 3.538 6.983 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.674 4.832 8.140 1.00 0.00 C ATOM 960 CE2 TYR A 60 12.715 2.904 6.987 1.00 0.00 C ATOM 961 CZ TYR A 60 13.828 3.549 7.571 1.00 0.00 C ATOM 962 OH TYR A 60 15.044 2.935 7.596 1.00 0.00 O ATOM 0 H TYR A 60 8.774 4.015 9.688 1.00 0.00 H new ATOM 0 HA TYR A 60 10.061 6.650 9.454 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.198 4.762 7.174 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.930 6.338 6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.301 6.445 8.561 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.609 3.042 6.537 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.523 5.331 8.584 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.828 1.926 6.544 1.00 0.00 H new ATOM 0 HH TYR A 60 14.977 2.058 7.164 1.00 0.00 H new ATOM 972 N TRP A 61 7.019 5.773 8.523 1.00 0.00 N ATOM 973 CA TRP A 61 5.712 6.300 8.110 1.00 0.00 C ATOM 974 C TRP A 61 4.622 6.029 9.159 1.00 0.00 C ATOM 975 O TRP A 61 3.961 6.964 9.617 1.00 0.00 O ATOM 976 CB TRP A 61 5.381 5.672 6.750 1.00 0.00 C ATOM 977 CG TRP A 61 6.450 5.719 5.698 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.101 4.640 5.207 1.00 0.00 C ATOM 979 CD2 TRP A 61 6.984 6.868 4.968 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.006 5.037 4.243 1.00 0.00 N ATOM 981 CE2 TRP A 61 7.959 6.398 4.036 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.724 8.256 4.975 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.628 7.254 3.146 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.388 9.126 4.087 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.336 8.629 3.173 1.00 0.00 C ATOM 0 H TRP A 61 7.065 4.754 8.524 1.00 0.00 H new ATOM 0 HA TRP A 61 5.752 7.386 8.021 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.114 4.628 6.915 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.495 6.169 6.355 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.937 3.620 5.522 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.631 4.402 3.746 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.004 8.658 5.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.356 6.862 2.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.168 10.183 4.108 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.838 9.302 2.494 1.00 0.00 H new ATOM 996 N CYS A 62 4.478 4.767 9.576 1.00 0.00 N ATOM 997 CA CYS A 62 3.664 4.337 10.721 1.00 0.00 C ATOM 998 C CYS A 62 4.521 4.116 11.978 1.00 0.00 C ATOM 999 O CYS A 62 5.746 4.147 11.921 1.00 0.00 O ATOM 1000 CB CYS A 62 2.886 3.065 10.360 1.00 0.00 C ATOM 1001 SG CYS A 62 3.869 1.742 9.615 1.00 0.00 S ATOM 0 H CYS A 62 4.941 3.987 9.109 1.00 0.00 H new ATOM 0 HA CYS A 62 2.956 5.133 10.952 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.414 2.679 11.263 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.085 3.332 9.671 1.00 0.00 H new ATOM 0 HG CYS A 62 3.102 0.724 9.358 1.00 0.00 H new ATOM 1006 N SER A 63 3.879 3.866 13.118 1.00 0.00 N ATOM 1007 CA SER A 63 4.545 3.558 14.391 1.00 0.00 C ATOM 1008 C SER A 63 4.004 2.280 15.046 1.00 0.00 C ATOM 1009 O SER A 63 2.798 2.030 15.023 1.00 0.00 O ATOM 1010 CB SER A 63 4.350 4.721 15.359 1.00 0.00 C ATOM 1011 OG SER A 63 5.491 4.831 16.201 1.00 0.00 O ATOM 0 H SER A 63 2.861 3.871 13.188 1.00 0.00 H new ATOM 0 HA SER A 63 5.601 3.401 14.171 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.202 5.648 14.806 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.455 4.562 15.960 1.00 0.00 H new ATOM 0 HG SER A 63 5.368 5.579 16.822 1.00 0.00 H new ATOM 1017 N LYS A 64 4.888 1.474 15.640 1.00 0.00 N ATOM 1018 CA LYS A 64 4.545 0.176 16.258 1.00 0.00 C ATOM 1019 C LYS A 64 4.135 0.250 17.742 1.00 0.00 C ATOM 1020 O LYS A 64 3.655 -0.742 18.299 1.00 0.00 O ATOM 1021 CB LYS A 64 5.695 -0.824 16.067 1.00 0.00 C ATOM 1022 CG LYS A 64 7.014 -0.316 16.664 1.00 0.00 C ATOM 1023 CD LYS A 64 7.886 -1.478 17.140 1.00 0.00 C ATOM 1024 CE LYS A 64 9.222 -0.920 17.627 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.226 -0.823 16.534 1.00 0.00 N ATOM 0 H LYS A 64 5.880 1.702 15.710 1.00 0.00 H new ATOM 0 HA LYS A 64 3.653 -0.167 15.734 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.429 -1.773 16.533 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.831 -1.019 15.003 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.554 0.266 15.918 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.805 0.352 17.500 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.387 -2.020 17.944 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.046 -2.188 16.328 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.064 0.067 18.061 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.612 -1.558 18.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.022 -0.230 16.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.574 -1.774 16.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.785 -0.397 15.694 1.00 0.00 H new ATOM 1039 N GLY A 65 4.342 1.402 18.391 1.00 0.00 N ATOM 1040 CA GLY A 65 4.013 1.625 19.803 1.00 0.00 C ATOM 1041 C GLY A 65 2.506 1.770 20.033 1.00 0.00 C ATOM 1042 O GLY A 65 1.708 1.624 19.108 1.00 0.00 O ATOM 0 H GLY A 65 4.751 2.221 17.940 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.391 0.793 20.397 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.520 2.524 20.154 1.00 0.00 H new ATOM 1046 N ALA A 66 2.105 2.070 21.270 1.00 0.00 N ATOM 1047 CA ALA A 66 0.699 2.082 21.707 1.00 0.00 C ATOM 1048 C ALA A 66 -0.175 3.200 21.089 1.00 0.00 C ATOM 1049 O ALA A 66 -1.381 3.249 21.332 1.00 0.00 O ATOM 1050 CB ALA A 66 0.691 2.140 23.242 1.00 0.00 C ATOM 0 H ALA A 66 2.758 2.317 22.014 1.00 0.00 H new ATOM 0 HA ALA A 66 0.231 1.169 21.339 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.338 2.150 23.600 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.206 1.266 23.642 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.200 3.045 23.575 1.00 0.00 H new ATOM 1056 N SER A 67 0.392 4.072 20.259 1.00 0.00 N ATOM 1057 CA SER A 67 -0.216 5.307 19.748 1.00 0.00 C ATOM 1058 C SER A 67 0.454 5.713 18.415 1.00 0.00 C ATOM 1059 O SER A 67 1.659 5.468 18.257 1.00 0.00 O ATOM 1060 CB SER A 67 -0.038 6.403 20.813 1.00 0.00 C ATOM 1061 OG SER A 67 -0.724 7.597 20.471 1.00 0.00 O ATOM 0 H SER A 67 1.338 3.933 19.903 1.00 0.00 H new ATOM 0 HA SER A 67 -1.278 5.159 19.552 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.404 6.038 21.773 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.023 6.618 20.937 1.00 0.00 H new ATOM 0 HG SER A 67 -0.587 8.266 21.174 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.282 6.303 17.444 1.00 0.00 N ATOM 1068 CA PRO A 68 0.293 6.803 16.193 1.00 0.00 C ATOM 1069 C PRO A 68 1.259 7.971 16.463 1.00 0.00 C ATOM 1070 O PRO A 68 1.071 8.715 17.430 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.907 7.265 15.357 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.967 7.617 16.394 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.717 6.570 17.475 1.00 0.00 C ATOM 0 HA PRO A 68 0.875 6.039 15.678 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.654 8.125 14.737 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.252 6.479 14.685 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.845 8.632 16.773 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.975 7.548 15.986 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.026 6.937 18.454 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.288 5.662 17.280 1.00 0.00 H new ATOM 1081 N GLY A 69 2.292 8.157 15.624 1.00 0.00 N ATOM 1082 CA GLY A 69 3.348 9.135 15.946 1.00 0.00 C ATOM 1083 C GLY A 69 4.588 9.193 15.053 1.00 0.00 C ATOM 1084 O GLY A 69 5.664 9.517 15.555 1.00 0.00 O ATOM 0 H GLY A 69 2.419 7.660 14.742 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.893 10.126 15.946 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.682 8.938 16.965 1.00 0.00 H new ATOM 1088 N LYS A 70 4.457 8.920 13.750 1.00 0.00 N ATOM 1089 CA LYS A 70 5.520 9.150 12.747 1.00 0.00 C ATOM 1090 C LYS A 70 5.029 10.042 11.590 1.00 0.00 C ATOM 1091 O LYS A 70 4.006 10.713 11.729 1.00 0.00 O ATOM 1092 CB LYS A 70 6.152 7.811 12.312 1.00 0.00 C ATOM 1093 CG LYS A 70 6.929 7.176 13.477 1.00 0.00 C ATOM 1094 CD LYS A 70 8.148 6.367 13.019 1.00 0.00 C ATOM 1095 CE LYS A 70 8.983 5.899 14.222 1.00 0.00 C ATOM 1096 NZ LYS A 70 8.294 4.855 15.025 1.00 0.00 N ATOM 0 H LYS A 70 3.604 8.529 13.351 1.00 0.00 H new ATOM 0 HA LYS A 70 6.328 9.722 13.204 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.373 7.128 11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.822 7.976 11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.257 7.962 14.158 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.260 6.525 14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.819 5.503 12.442 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.765 6.976 12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.937 5.509 13.867 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.206 6.754 14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.861 4.636 15.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.358 5.203 15.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.180 3.995 14.452 1.00 0.00 H new ATOM 1110 N ASP A 71 5.747 10.086 10.462 1.00 0.00 N ATOM 1111 CA ASP A 71 5.533 11.066 9.382 1.00 0.00 C ATOM 1112 C ASP A 71 4.108 11.082 8.799 1.00 0.00 C ATOM 1113 O ASP A 71 3.607 12.145 8.434 1.00 0.00 O ATOM 1114 CB ASP A 71 6.566 10.834 8.270 1.00 0.00 C ATOM 1115 CG ASP A 71 6.558 11.981 7.245 1.00 0.00 C ATOM 1116 OD1 ASP A 71 7.159 13.043 7.538 1.00 0.00 O ATOM 1117 OD2 ASP A 71 5.956 11.821 6.158 1.00 0.00 O ATOM 0 H ASP A 71 6.506 9.433 10.267 1.00 0.00 H new ATOM 0 HA ASP A 71 5.664 12.049 9.834 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.560 10.743 8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.353 9.892 7.765 1.00 0.00 H new ATOM 1122 N CYS A 72 3.427 9.932 8.771 1.00 0.00 N ATOM 1123 CA CYS A 72 2.042 9.810 8.293 1.00 0.00 C ATOM 1124 C CYS A 72 0.997 9.755 9.423 1.00 0.00 C ATOM 1125 O CYS A 72 -0.189 9.581 9.144 1.00 0.00 O ATOM 1126 CB CYS A 72 1.960 8.627 7.328 1.00 0.00 C ATOM 1127 SG CYS A 72 3.040 8.817 5.879 1.00 0.00 S ATOM 0 H CYS A 72 3.826 9.047 9.083 1.00 0.00 H new ATOM 0 HA CYS A 72 1.779 10.722 7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.230 7.713 7.858 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.929 8.509 6.993 1.00 0.00 H new ATOM 0 HG CYS A 72 4.197 8.279 6.127 1.00 0.00 H new ATOM 1132 N ASN A 73 1.415 9.913 10.688 1.00 0.00 N ATOM 1133 CA ASN A 73 0.548 10.100 11.861 1.00 0.00 C ATOM 1134 C ASN A 73 -0.463 8.944 12.028 1.00 0.00 C ATOM 1135 O ASN A 73 -1.663 9.144 12.212 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.075 11.511 11.819 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.693 11.923 13.155 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -1.902 12.073 13.291 1.00 0.00 O ATOM 1139 ND2 ASN A 73 0.119 12.131 14.178 1.00 0.00 N ATOM 0 H ASN A 73 2.406 9.914 10.931 1.00 0.00 H new ATOM 0 HA ASN A 73 1.144 10.050 12.772 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.691 12.234 11.540 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.841 11.543 11.044 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.261 12.416 15.081 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.125 12.006 14.064 1.00 0.00 H new ATOM 1146 N VAL A 74 0.051 7.715 11.925 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.719 6.466 11.872 1.00 0.00 C ATOM 1148 C VAL A 74 0.064 5.336 12.552 1.00 0.00 C ATOM 1149 O VAL A 74 1.289 5.371 12.637 1.00 0.00 O ATOM 1150 CB VAL A 74 -1.125 6.149 10.412 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.078 5.817 9.513 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.161 5.019 10.344 1.00 0.00 C ATOM 0 H VAL A 74 1.057 7.555 11.874 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.649 6.575 12.430 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.577 7.063 10.028 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.271 5.604 8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.760 6.667 9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.598 4.945 9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.421 4.826 9.303 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.743 4.115 10.788 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.056 5.312 10.893 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.657 4.357 13.090 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.126 3.241 13.878 1.00 0.00 C ATOM 1164 C LYS A 75 -0.134 1.951 13.041 1.00 0.00 C ATOM 1165 O LYS A 75 -1.115 1.663 12.362 1.00 0.00 O ATOM 1166 CB LYS A 75 -1.008 3.154 15.131 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.483 2.257 16.259 1.00 0.00 C ATOM 1168 CD LYS A 75 -1.480 2.293 17.435 1.00 0.00 C ATOM 1169 CE LYS A 75 -1.375 1.067 18.353 1.00 0.00 C ATOM 1170 NZ LYS A 75 -2.391 1.111 19.441 1.00 0.00 N ATOM 0 H LYS A 75 -1.671 4.315 12.986 1.00 0.00 H new ATOM 0 HA LYS A 75 0.913 3.389 14.171 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.144 4.161 15.527 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.993 2.793 14.834 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.360 1.235 15.901 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.498 2.600 16.587 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.307 3.195 18.022 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.494 2.359 17.041 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.509 0.159 17.765 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.377 1.021 18.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.360 0.223 19.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.186 1.909 20.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.338 1.232 19.027 1.00 0.00 H new ATOM 1184 N CYS A 76 0.940 1.159 13.092 1.00 0.00 N ATOM 1185 CA CYS A 76 1.095 -0.105 12.345 1.00 0.00 C ATOM 1186 C CYS A 76 -0.095 -1.070 12.507 1.00 0.00 C ATOM 1187 O CYS A 76 -0.481 -1.742 11.557 1.00 0.00 O ATOM 1188 CB CYS A 76 2.372 -0.801 12.829 1.00 0.00 C ATOM 1189 SG CYS A 76 3.895 0.123 12.557 1.00 0.00 S ATOM 0 H CYS A 76 1.752 1.380 13.668 1.00 0.00 H new ATOM 0 HA CYS A 76 1.146 0.151 11.287 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.274 -1.005 13.895 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.455 -1.765 12.326 1.00 0.00 H new ATOM 0 HG CYS A 76 3.939 0.535 11.325 1.00 0.00 H new ATOM 1194 N SER A 77 -0.713 -1.107 13.691 1.00 0.00 N ATOM 1195 CA SER A 77 -1.878 -1.962 13.979 1.00 0.00 C ATOM 1196 C SER A 77 -3.173 -1.482 13.287 1.00 0.00 C ATOM 1197 O SER A 77 -3.980 -2.303 12.846 1.00 0.00 O ATOM 1198 CB SER A 77 -2.072 -2.055 15.500 1.00 0.00 C ATOM 1199 OG SER A 77 -2.968 -3.100 15.849 1.00 0.00 O ATOM 0 H SER A 77 -0.419 -0.541 14.487 1.00 0.00 H new ATOM 0 HA SER A 77 -1.671 -2.950 13.567 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.109 -2.225 15.981 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.454 -1.106 15.878 1.00 0.00 H new ATOM 0 HG SER A 77 -3.068 -3.133 16.823 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.353 -0.168 13.081 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.464 0.391 12.296 1.00 0.00 C ATOM 1207 C ASP A 78 -4.337 0.084 10.794 1.00 0.00 C ATOM 1208 O ASP A 78 -5.308 0.232 10.057 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.578 1.907 12.537 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.440 2.233 13.762 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -4.901 2.271 14.893 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -6.657 2.471 13.572 1.00 0.00 O ATOM 0 H ASP A 78 -2.726 0.542 13.458 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.378 -0.094 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.582 2.328 12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.007 2.383 11.655 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.177 -0.399 10.333 1.00 0.00 N ATOM 1218 CA LEU A 79 -2.991 -0.865 8.957 1.00 0.00 C ATOM 1219 C LEU A 79 -3.485 -2.310 8.759 1.00 0.00 C ATOM 1220 O LEU A 79 -3.668 -2.735 7.619 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.517 -0.714 8.536 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.829 0.618 8.904 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.560 0.639 8.264 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.607 1.854 8.443 1.00 0.00 C ATOM 0 H LEU A 79 -2.338 -0.477 10.908 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.603 -0.237 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.948 -1.528 8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.456 -0.843 7.455 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.777 0.666 9.992 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.062 1.574 8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.147 -0.199 8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.463 0.557 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.066 2.754 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.716 1.832 7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.593 1.857 8.907 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.733 -3.048 9.852 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.139 -4.462 9.857 1.00 0.00 C ATOM 1238 C LEU A 80 -5.665 -4.659 9.976 1.00 0.00 C ATOM 1239 O LEU A 80 -6.125 -5.781 10.209 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.393 -5.217 10.979 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.856 -5.094 10.982 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.297 -5.884 12.175 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.213 -5.590 9.679 1.00 0.00 C ATOM 0 H LEU A 80 -3.653 -2.661 10.793 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.861 -4.879 8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.766 -4.859 11.939 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.651 -6.274 10.910 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.609 -4.036 11.067 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.210 -5.804 12.187 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.701 -5.477 13.102 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.583 -6.932 12.083 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.131 -5.478 9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.461 -6.641 9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.590 -5.004 8.841 1.00 0.00 H new ATOM 1255 N THR A 81 -6.448 -3.578 9.863 1.00 0.00 N ATOM 1256 CA THR A 81 -7.907 -3.549 10.072 1.00 0.00 C ATOM 1257 C THR A 81 -8.687 -3.849 8.784 1.00 0.00 C ATOM 1258 O THR A 81 -8.105 -4.214 7.764 1.00 0.00 O ATOM 1259 CB THR A 81 -8.272 -2.230 10.772 1.00 0.00 C ATOM 1260 OG1 THR A 81 -9.561 -2.348 11.331 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.225 -1.005 9.859 1.00 0.00 C ATOM 0 H THR A 81 -6.071 -2.663 9.614 1.00 0.00 H new ATOM 0 HA THR A 81 -8.215 -4.359 10.734 1.00 0.00 H new ATOM 0 HB THR A 81 -7.516 -2.066 11.540 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.800 -1.511 11.781 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.495 -0.116 10.429 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.218 -0.888 9.459 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.928 -1.137 9.037 1.00 0.00 H new ATOM 1269 N ASP A 82 -10.015 -3.762 8.838 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.943 -4.164 7.765 1.00 0.00 C ATOM 1271 C ASP A 82 -11.221 -3.085 6.700 1.00 0.00 C ATOM 1272 O ASP A 82 -11.888 -3.349 5.700 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.247 -4.677 8.386 1.00 0.00 C ATOM 1274 CG ASP A 82 -13.144 -3.561 8.953 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -12.840 -3.046 10.056 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -14.173 -3.230 8.317 1.00 0.00 O ATOM 0 H ASP A 82 -10.499 -3.397 9.658 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.442 -4.960 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.805 -5.231 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.007 -5.379 9.185 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.675 -1.888 6.897 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.630 -0.802 5.911 1.00 0.00 C ATOM 1283 C ASP A 83 -9.171 -0.395 5.664 1.00 0.00 C ATOM 1284 O ASP A 83 -8.432 -0.038 6.583 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.492 0.391 6.356 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.714 1.442 5.246 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.893 1.537 4.301 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.720 2.185 5.343 1.00 0.00 O ATOM 0 H ASP A 83 -10.234 -1.634 7.781 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.052 -1.156 4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.460 0.023 6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.017 0.873 7.211 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.766 -0.447 4.395 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.403 -0.155 3.932 1.00 0.00 C ATOM 1295 C ILE A 84 -7.006 1.322 4.098 1.00 0.00 C ATOM 1296 O ILE A 84 -5.823 1.632 3.984 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.233 -0.626 2.462 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.950 0.319 1.477 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.748 -2.064 2.268 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.703 0.022 -0.001 1.00 0.00 C ATOM 0 H ILE A 84 -9.396 -0.701 3.634 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.719 -0.714 4.571 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.164 -0.605 2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.022 0.271 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.635 1.342 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.614 -2.361 1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.189 -2.741 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.806 -2.109 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.249 0.740 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.637 0.100 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.046 -0.987 -0.232 1.00 0.00 H new ATOM 1312 N THR A 85 -7.968 2.229 4.339 1.00 0.00 N ATOM 1313 CA THR A 85 -7.809 3.698 4.308 1.00 0.00 C ATOM 1314 C THR A 85 -6.655 4.236 5.147 1.00 0.00 C ATOM 1315 O THR A 85 -5.931 5.120 4.692 1.00 0.00 O ATOM 1316 CB THR A 85 -9.142 4.370 4.647 1.00 0.00 C ATOM 1317 OG1 THR A 85 -9.055 5.756 4.414 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.598 4.152 6.088 1.00 0.00 C ATOM 0 H THR A 85 -8.921 1.949 4.571 1.00 0.00 H new ATOM 0 HA THR A 85 -7.524 3.958 3.289 1.00 0.00 H new ATOM 0 HB THR A 85 -9.881 3.901 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.912 6.179 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.549 4.659 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.719 3.085 6.274 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.851 4.556 6.771 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.394 3.654 6.321 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.267 4.059 7.176 1.00 0.00 C ATOM 1328 C LYS A 86 -3.896 3.787 6.524 1.00 0.00 C ATOM 1329 O LYS A 86 -2.947 4.543 6.739 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.406 3.369 8.544 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.580 3.937 9.369 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.572 2.842 9.781 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.778 3.380 10.568 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.397 3.932 11.896 1.00 0.00 N ATOM 0 H LYS A 86 -6.953 2.893 6.707 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.306 5.140 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.553 2.299 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.479 3.489 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.192 4.430 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.100 4.697 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.929 2.330 8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.053 2.100 10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.270 4.157 9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.503 2.578 10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.250 4.060 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.749 3.273 12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.924 4.850 11.768 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.802 2.759 5.674 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.622 2.460 4.860 1.00 0.00 C ATOM 1350 C ALA A 87 -2.651 3.220 3.528 1.00 0.00 C ATOM 1351 O ALA A 87 -1.635 3.768 3.109 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.558 0.938 4.654 1.00 0.00 C ATOM 0 H ALA A 87 -4.564 2.096 5.530 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.721 2.794 5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.686 0.689 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.482 0.443 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.461 0.602 4.144 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.820 3.308 2.894 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.003 3.908 1.578 1.00 0.00 C ATOM 1360 C ALA A 88 -3.735 5.422 1.564 1.00 0.00 C ATOM 1361 O ALA A 88 -3.045 5.915 0.678 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.416 3.550 1.106 1.00 0.00 C ATOM 0 H ALA A 88 -4.688 2.953 3.295 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.265 3.506 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.591 3.983 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.517 2.466 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.147 3.946 1.811 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.192 6.164 2.576 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.903 7.600 2.713 1.00 0.00 C ATOM 1370 C LYS A 89 -2.433 7.878 3.071 1.00 0.00 C ATOM 1371 O LYS A 89 -1.846 8.852 2.597 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.848 8.198 3.762 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.297 8.259 3.254 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.234 8.811 4.333 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.649 8.959 3.759 1.00 0.00 C ATOM 1376 NZ LYS A 89 -9.613 9.426 4.789 1.00 0.00 N ATOM 0 H LYS A 89 -4.773 5.789 3.326 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.071 8.076 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.807 7.600 4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.512 9.201 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.349 8.889 2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.625 7.262 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.248 8.142 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.871 9.776 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.633 9.665 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.981 8.002 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.558 9.514 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.647 8.740 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.310 10.351 5.154 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.806 6.984 3.844 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.364 7.014 4.125 1.00 0.00 C ATOM 1392 C CYS A 90 0.454 6.735 2.851 1.00 0.00 C ATOM 1393 O CYS A 90 1.434 7.431 2.580 1.00 0.00 O ATOM 1394 CB CYS A 90 -0.087 6.023 5.264 1.00 0.00 C ATOM 1395 SG CYS A 90 1.650 5.740 5.671 1.00 0.00 S ATOM 0 H CYS A 90 -2.290 6.210 4.298 1.00 0.00 H new ATOM 0 HA CYS A 90 -0.048 8.006 4.449 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.595 6.380 6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.538 5.066 5.002 1.00 0.00 H new ATOM 0 HG CYS A 90 2.332 6.822 5.440 1.00 0.00 H new ATOM 1400 N ALA A 91 -0.011 5.817 1.999 1.00 0.00 N ATOM 1401 CA ALA A 91 0.567 5.544 0.687 1.00 0.00 C ATOM 1402 C ALA A 91 0.519 6.767 -0.245 1.00 0.00 C ATOM 1403 O ALA A 91 1.513 7.031 -0.920 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.132 4.318 0.090 1.00 0.00 C ATOM 0 H ALA A 91 -0.819 5.231 2.211 1.00 0.00 H new ATOM 0 HA ALA A 91 1.629 5.325 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.289 4.101 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.015 3.460 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.199 4.520 -0.009 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.548 7.586 -0.232 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.550 8.857 -0.979 1.00 0.00 C ATOM 1412 C LYS A 92 0.530 9.833 -0.482 1.00 0.00 C ATOM 1413 O LYS A 92 1.219 10.451 -1.293 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.918 9.559 -0.942 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.154 8.701 -1.225 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.086 7.777 -2.445 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.902 8.503 -3.784 1.00 0.00 C ATOM 1418 NZ LYS A 92 -2.415 7.573 -4.835 1.00 0.00 N ATOM 0 H LYS A 92 -1.409 7.395 0.280 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.326 8.581 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.039 10.011 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.899 10.373 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.352 8.089 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.009 9.366 -1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.261 7.077 -2.309 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.001 7.187 -2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.849 8.944 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.193 9.322 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.523 8.017 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.411 7.356 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.969 6.693 -4.804 1.00 0.00 H new ATOM 1432 N LYS A 93 0.725 9.950 0.839 1.00 0.00 N ATOM 1433 CA LYS A 93 1.769 10.818 1.413 1.00 0.00 C ATOM 1434 C LYS A 93 3.198 10.335 1.089 1.00 0.00 C ATOM 1435 O LYS A 93 4.115 11.151 0.995 1.00 0.00 O ATOM 1436 CB LYS A 93 1.524 11.021 2.921 1.00 0.00 C ATOM 1437 CG LYS A 93 2.410 12.157 3.466 1.00 0.00 C ATOM 1438 CD LYS A 93 2.104 12.535 4.918 1.00 0.00 C ATOM 1439 CE LYS A 93 2.974 13.742 5.299 1.00 0.00 C ATOM 1440 NZ LYS A 93 2.720 14.202 6.687 1.00 0.00 N ATOM 0 H LYS A 93 0.171 9.452 1.536 1.00 0.00 H new ATOM 0 HA LYS A 93 1.694 11.794 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.474 11.256 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.738 10.097 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.456 11.858 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.284 13.038 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.048 12.778 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.311 11.694 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.026 13.477 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.780 14.561 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.253 15.077 6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.704 14.384 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.026 13.468 7.357 1.00 0.00 H new ATOM 1454 N ILE A 94 3.391 9.040 0.828 1.00 0.00 N ATOM 1455 CA ILE A 94 4.652 8.510 0.279 1.00 0.00 C ATOM 1456 C ILE A 94 4.774 8.850 -1.216 1.00 0.00 C ATOM 1457 O ILE A 94 5.808 9.355 -1.652 1.00 0.00 O ATOM 1458 CB ILE A 94 4.771 6.991 0.542 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.786 6.680 2.057 1.00 0.00 C ATOM 1460 CG2 ILE A 94 6.063 6.489 -0.122 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.599 5.194 2.395 1.00 0.00 C ATOM 0 H ILE A 94 2.681 8.326 0.989 1.00 0.00 H new ATOM 0 HA ILE A 94 5.486 8.989 0.791 1.00 0.00 H new ATOM 0 HB ILE A 94 3.905 6.482 0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.732 7.021 2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.997 7.254 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.168 5.418 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.020 6.681 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.919 7.011 0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.622 5.061 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.640 4.851 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.402 4.614 1.941 1.00 0.00 H new ATOM 1473 N TYR A 95 3.710 8.642 -1.996 1.00 0.00 N ATOM 1474 CA TYR A 95 3.658 8.918 -3.441 1.00 0.00 C ATOM 1475 C TYR A 95 3.982 10.378 -3.815 1.00 0.00 C ATOM 1476 O TYR A 95 4.546 10.633 -4.880 1.00 0.00 O ATOM 1477 CB TYR A 95 2.304 8.422 -3.989 1.00 0.00 C ATOM 1478 CG TYR A 95 1.687 9.193 -5.144 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.016 10.409 -4.902 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.735 8.675 -6.453 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.432 11.124 -5.965 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.164 9.390 -7.522 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.510 10.619 -7.283 1.00 0.00 C ATOM 1484 OH TYR A 95 -0.048 11.303 -8.320 1.00 0.00 O ATOM 0 H TYR A 95 2.834 8.266 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 95 4.460 8.363 -3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.429 7.386 -4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.589 8.420 -3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.950 10.794 -3.895 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.213 7.724 -6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.075 12.058 -5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.226 8.999 -8.527 1.00 0.00 H new ATOM 0 HH TYR A 95 0.101 10.811 -9.154 1.00 0.00 H new ATOM 1494 N LYS A 96 3.728 11.327 -2.906 1.00 0.00 N ATOM 1495 CA LYS A 96 4.164 12.730 -3.000 1.00 0.00 C ATOM 1496 C LYS A 96 5.686 12.913 -3.180 1.00 0.00 C ATOM 1497 O LYS A 96 6.115 13.903 -3.782 1.00 0.00 O ATOM 1498 CB LYS A 96 3.722 13.446 -1.716 1.00 0.00 C ATOM 1499 CG LYS A 96 2.230 13.815 -1.728 1.00 0.00 C ATOM 1500 CD LYS A 96 1.847 14.595 -0.460 1.00 0.00 C ATOM 1501 CE LYS A 96 0.339 14.878 -0.376 1.00 0.00 C ATOM 1502 NZ LYS A 96 -0.117 15.864 -1.393 1.00 0.00 N ATOM 0 H LYS A 96 3.196 11.136 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 96 3.705 13.150 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.927 12.805 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.315 14.351 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.007 14.415 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.628 12.909 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.157 14.029 0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.392 15.539 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.210 13.945 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.098 15.251 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.141 16.018 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.384 16.764 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.086 15.499 -2.346 1.00 0.00 H new ATOM 1516 N ARG A 97 6.496 11.977 -2.667 1.00 0.00 N ATOM 1517 CA ARG A 97 7.966 11.973 -2.756 1.00 0.00 C ATOM 1518 C ARG A 97 8.481 10.871 -3.693 1.00 0.00 C ATOM 1519 O ARG A 97 9.439 11.094 -4.432 1.00 0.00 O ATOM 1520 CB ARG A 97 8.571 11.790 -1.351 1.00 0.00 C ATOM 1521 CG ARG A 97 8.172 12.870 -0.326 1.00 0.00 C ATOM 1522 CD ARG A 97 8.525 14.309 -0.734 1.00 0.00 C ATOM 1523 NE ARG A 97 9.970 14.490 -0.978 1.00 0.00 N ATOM 1524 CZ ARG A 97 10.919 14.678 -0.065 1.00 0.00 C ATOM 1525 NH1 ARG A 97 10.657 14.711 1.225 1.00 0.00 N ATOM 1526 NH2 ARG A 97 12.168 14.837 -0.449 1.00 0.00 N ATOM 0 H ARG A 97 6.133 11.170 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 97 8.276 12.931 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.270 10.816 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.657 11.776 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.097 12.809 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.659 12.647 0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.972 14.574 -1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.204 14.995 0.050 1.00 0.00 H new ATOM 0 HE ARG A 97 10.273 14.469 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.699 14.590 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.412 14.857 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.403 14.816 -1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.901 14.982 0.246 1.00 0.00 H new ATOM 1540 N HIS A 98 7.820 9.710 -3.697 1.00 0.00 N ATOM 1541 CA HIS A 98 8.212 8.502 -4.432 1.00 0.00 C ATOM 1542 C HIS A 98 6.966 7.736 -4.924 1.00 0.00 C ATOM 1543 O HIS A 98 6.457 6.851 -4.230 1.00 0.00 O ATOM 1544 CB HIS A 98 9.087 7.632 -3.510 1.00 0.00 C ATOM 1545 CG HIS A 98 10.382 8.268 -3.082 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.502 8.451 -3.895 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.651 8.756 -1.836 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.419 9.051 -3.115 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.937 9.246 -1.874 1.00 0.00 N ATOM 0 H HIS A 98 6.959 9.580 -3.165 1.00 0.00 H new ATOM 0 HA HIS A 98 8.787 8.772 -5.318 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.511 7.379 -2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.310 6.696 -4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.985 8.757 -0.986 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.408 9.337 -3.441 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.436 9.680 -1.098 1.00 0.00 H new ATOM 1557 N ARG A 99 6.467 8.071 -6.125 1.00 0.00 N ATOM 1558 CA ARG A 99 5.172 7.603 -6.653 1.00 0.00 C ATOM 1559 C ARG A 99 4.982 6.076 -6.647 1.00 0.00 C ATOM 1560 O ARG A 99 3.918 5.603 -6.254 1.00 0.00 O ATOM 1561 CB ARG A 99 4.880 8.222 -8.012 1.00 0.00 C ATOM 1562 CG ARG A 99 5.880 7.890 -9.121 1.00 0.00 C ATOM 1563 CD ARG A 99 5.380 8.661 -10.332 1.00 0.00 C ATOM 1564 NE ARG A 99 6.208 8.413 -11.524 1.00 0.00 N ATOM 1565 CZ ARG A 99 5.985 8.882 -12.747 1.00 0.00 C ATOM 1566 NH1 ARG A 99 4.955 9.655 -13.023 1.00 0.00 N ATOM 1567 NH2 ARG A 99 6.811 8.574 -13.724 1.00 0.00 N ATOM 0 H ARG A 99 6.961 8.687 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 99 4.423 7.960 -5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.890 7.899 -8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.840 9.305 -7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.891 8.194 -8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.912 6.819 -9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.349 8.378 -10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.378 9.728 -10.107 1.00 0.00 H new ATOM 0 HE ARG A 99 7.032 7.825 -11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.298 9.911 -12.286 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.814 9.997 -13.974 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.618 7.978 -13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.644 8.931 -14.665 1.00 0.00 H new ATOM 1581 N PHE A 100 6.037 5.330 -6.995 1.00 0.00 N ATOM 1582 CA PHE A 100 6.113 3.866 -6.885 1.00 0.00 C ATOM 1583 C PHE A 100 7.492 3.365 -6.398 1.00 0.00 C ATOM 1584 O PHE A 100 7.639 2.191 -6.068 1.00 0.00 O ATOM 1585 CB PHE A 100 5.769 3.228 -8.240 1.00 0.00 C ATOM 1586 CG PHE A 100 4.433 3.626 -8.837 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.238 3.251 -8.194 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.376 4.373 -10.030 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.998 3.638 -8.725 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.133 4.759 -10.563 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.944 4.397 -9.906 1.00 0.00 C ATOM 0 H PHE A 100 6.890 5.741 -7.374 1.00 0.00 H new ATOM 0 HA PHE A 100 5.387 3.564 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.554 3.485 -8.951 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.786 2.144 -8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.276 2.663 -7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.289 4.650 -10.536 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.084 3.352 -8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.092 5.333 -11.477 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.990 4.702 -10.309 1.00 0.00 H new ATOM 1601 N ASP A 101 8.503 4.244 -6.326 1.00 0.00 N ATOM 1602 CA ASP A 101 9.908 3.888 -6.068 1.00 0.00 C ATOM 1603 C ASP A 101 10.205 3.508 -4.601 1.00 0.00 C ATOM 1604 O ASP A 101 11.220 2.867 -4.323 1.00 0.00 O ATOM 1605 CB ASP A 101 10.788 5.062 -6.531 1.00 0.00 C ATOM 1606 CG ASP A 101 12.291 4.745 -6.466 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.724 3.781 -7.139 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.036 5.465 -5.761 1.00 0.00 O ATOM 0 H ASP A 101 8.364 5.247 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 101 10.135 2.984 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.522 5.328 -7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.578 5.933 -5.911 1.00 0.00 H new ATOM 1613 N ALA A 102 9.300 3.845 -3.674 1.00 0.00 N ATOM 1614 CA ALA A 102 9.365 3.442 -2.263 1.00 0.00 C ATOM 1615 C ALA A 102 9.041 1.950 -2.031 1.00 0.00 C ATOM 1616 O ALA A 102 9.230 1.448 -0.920 1.00 0.00 O ATOM 1617 CB ALA A 102 8.423 4.349 -1.464 1.00 0.00 C ATOM 0 H ALA A 102 8.484 4.418 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 102 10.393 3.560 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.454 4.069 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.738 5.387 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.406 4.238 -1.839 1.00 0.00 H new ATOM 1623 N TRP A 103 8.579 1.240 -3.067 1.00 0.00 N ATOM 1624 CA TRP A 103 8.173 -0.166 -3.023 1.00 0.00 C ATOM 1625 C TRP A 103 9.025 -1.044 -3.942 1.00 0.00 C ATOM 1626 O TRP A 103 9.390 -0.658 -5.054 1.00 0.00 O ATOM 1627 CB TRP A 103 6.686 -0.258 -3.380 1.00 0.00 C ATOM 1628 CG TRP A 103 5.773 0.359 -2.369 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.347 -0.253 -1.245 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.173 1.695 -2.343 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.517 0.592 -0.542 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.347 1.798 -1.183 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.236 2.826 -3.184 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.590 2.944 -0.894 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.486 3.984 -2.904 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.653 4.040 -1.771 1.00 0.00 C ATOM 0 H TRP A 103 8.474 1.648 -3.996 1.00 0.00 H new ATOM 0 HA TRP A 103 8.332 -0.547 -2.014 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.524 0.227 -4.343 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.418 -1.307 -3.503 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.616 -1.254 -0.942 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.080 0.352 0.348 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.871 2.803 -4.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 2.969 2.983 -0.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.550 4.836 -3.564 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.063 4.924 -1.576 1.00 0.00 H new ATOM 1647 N TYR A 104 9.342 -2.245 -3.456 1.00 0.00 N ATOM 1648 CA TYR A 104 10.244 -3.184 -4.120 1.00 0.00 C ATOM 1649 C TYR A 104 9.523 -4.133 -5.090 1.00 0.00 C ATOM 1650 O TYR A 104 10.086 -4.509 -6.118 1.00 0.00 O ATOM 1651 CB TYR A 104 11.010 -3.965 -3.048 1.00 0.00 C ATOM 1652 CG TYR A 104 12.218 -4.680 -3.609 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.388 -3.944 -3.872 1.00 0.00 C ATOM 1654 CD2 TYR A 104 12.163 -6.054 -3.911 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.511 -4.580 -4.434 1.00 0.00 C ATOM 1656 CE2 TYR A 104 13.284 -6.698 -4.472 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.463 -5.960 -4.736 1.00 0.00 C ATOM 1658 OH TYR A 104 15.552 -6.574 -5.281 1.00 0.00 O ATOM 0 H TYR A 104 8.972 -2.598 -2.574 1.00 0.00 H new ATOM 0 HA TYR A 104 10.936 -2.611 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.329 -3.281 -2.262 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.343 -4.692 -2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.425 -2.889 -3.642 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.261 -6.615 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.409 -4.014 -4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.244 -7.753 -4.700 1.00 0.00 H new ATOM 0 HH TYR A 104 15.354 -7.523 -5.426 1.00 0.00 H new ATOM 1668 N GLY A 105 8.260 -4.476 -4.814 1.00 0.00 N ATOM 1669 CA GLY A 105 7.462 -5.378 -5.646 1.00 0.00 C ATOM 1670 C GLY A 105 7.108 -4.777 -7.002 1.00 0.00 C ATOM 1671 O GLY A 105 7.125 -5.475 -8.014 1.00 0.00 O ATOM 0 H GLY A 105 7.759 -4.130 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.013 -6.306 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.544 -5.635 -5.117 1.00 0.00 H new ATOM 1675 N TRP A 106 6.870 -3.464 -7.052 1.00 0.00 N ATOM 1676 CA TRP A 106 6.594 -2.753 -8.300 1.00 0.00 C ATOM 1677 C TRP A 106 7.785 -2.780 -9.275 1.00 0.00 C ATOM 1678 O TRP A 106 7.617 -3.071 -10.461 1.00 0.00 O ATOM 1679 CB TRP A 106 6.131 -1.331 -7.965 1.00 0.00 C ATOM 1680 CG TRP A 106 5.974 -0.429 -9.147 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.858 -0.255 -9.887 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.993 0.417 -9.755 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.124 0.615 -10.930 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.428 1.064 -10.894 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.341 0.693 -9.450 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 7.181 1.929 -11.704 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 9.107 1.549 -10.259 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.531 2.168 -11.385 1.00 0.00 C ATOM 0 H TRP A 106 6.864 -2.865 -6.227 1.00 0.00 H new ATOM 0 HA TRP A 106 5.793 -3.267 -8.832 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.177 -1.388 -7.440 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.847 -0.883 -7.276 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.904 -0.723 -9.694 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.442 0.890 -11.637 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.793 0.239 -8.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.730 2.405 -12.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 10.143 1.733 -10.016 1.00 0.00 H new ATOM 0 HH2 TRP A 106 9.124 2.825 -12.003 1.00 0.00 H new ATOM 1699 N LYS A 107 9.008 -2.574 -8.782 1.00 0.00 N ATOM 1700 CA LYS A 107 10.238 -2.704 -9.584 1.00 0.00 C ATOM 1701 C LYS A 107 10.672 -4.168 -9.821 1.00 0.00 C ATOM 1702 O LYS A 107 11.522 -4.418 -10.678 1.00 0.00 O ATOM 1703 CB LYS A 107 11.345 -1.797 -9.011 1.00 0.00 C ATOM 1704 CG LYS A 107 11.658 -2.055 -7.529 1.00 0.00 C ATOM 1705 CD LYS A 107 12.760 -1.150 -6.961 1.00 0.00 C ATOM 1706 CE LYS A 107 12.322 0.321 -6.939 1.00 0.00 C ATOM 1707 NZ LYS A 107 13.337 1.190 -6.293 1.00 0.00 N ATOM 0 H LYS A 107 9.180 -2.311 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 107 10.021 -2.346 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.255 -1.939 -9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.047 -0.756 -9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.748 -1.914 -6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.957 -3.096 -7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.012 -1.471 -5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.663 -1.253 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.147 0.663 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.375 0.410 -6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.207 2.171 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.226 1.144 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.290 0.864 -6.554 1.00 0.00 H new ATOM 1721 N ASN A 108 10.052 -5.138 -9.135 1.00 0.00 N ATOM 1722 CA ASN A 108 10.277 -6.573 -9.343 1.00 0.00 C ATOM 1723 C ASN A 108 9.415 -7.172 -10.478 1.00 0.00 C ATOM 1724 O ASN A 108 9.916 -8.027 -11.210 1.00 0.00 O ATOM 1725 CB ASN A 108 10.056 -7.320 -8.017 1.00 0.00 C ATOM 1726 CG ASN A 108 10.433 -8.796 -8.119 1.00 0.00 C ATOM 1727 OD1 ASN A 108 9.593 -9.658 -8.352 1.00 0.00 O ATOM 1728 ND2 ASN A 108 11.700 -9.128 -7.948 1.00 0.00 N ATOM 0 H ASN A 108 9.366 -4.942 -8.406 1.00 0.00 H new ATOM 0 HA ASN A 108 11.309 -6.700 -9.669 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.648 -6.848 -7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.010 -7.233 -7.722 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.984 -10.106 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 108 12.395 -8.407 -7.754 1.00 0.00 H new ATOM 1735 N HIS A 109 8.158 -6.724 -10.670 1.00 0.00 N ATOM 1736 CA HIS A 109 7.246 -7.346 -11.659 1.00 0.00 C ATOM 1737 C HIS A 109 6.285 -6.423 -12.450 1.00 0.00 C ATOM 1738 O HIS A 109 5.778 -6.845 -13.492 1.00 0.00 O ATOM 1739 CB HIS A 109 6.513 -8.536 -11.005 1.00 0.00 C ATOM 1740 CG HIS A 109 5.117 -8.264 -10.497 1.00 0.00 C ATOM 1741 ND1 HIS A 109 4.011 -9.084 -10.734 1.00 0.00 N ATOM 1742 CD2 HIS A 109 4.722 -7.205 -9.732 1.00 0.00 C ATOM 1743 CE1 HIS A 109 2.979 -8.496 -10.107 1.00 0.00 C ATOM 1744 NE2 HIS A 109 3.376 -7.366 -9.499 1.00 0.00 N ATOM 0 H HIS A 109 7.751 -5.940 -10.159 1.00 0.00 H new ATOM 0 HA HIS A 109 7.907 -7.682 -12.458 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.461 -9.347 -11.732 1.00 0.00 H new ATOM 0 HB3 HIS A 109 7.117 -8.894 -10.171 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.345 -6.397 -9.378 1.00 0.00 H new ATOM 0 HE1 HIS A 109 1.969 -8.879 -10.094 1.00 0.00 H new ATOM 0 HE2 HIS A 109 2.783 -6.737 -8.958 1.00 0.00 H new ATOM 1752 N CYS A 110 6.077 -5.158 -12.053 1.00 0.00 N ATOM 1753 CA CYS A 110 5.197 -4.223 -12.793 1.00 0.00 C ATOM 1754 C CYS A 110 5.856 -3.609 -14.044 1.00 0.00 C ATOM 1755 O CYS A 110 5.200 -2.896 -14.804 1.00 0.00 O ATOM 1756 CB CYS A 110 4.695 -3.112 -11.859 1.00 0.00 C ATOM 1757 SG CYS A 110 3.767 -3.679 -10.415 1.00 0.00 S ATOM 0 H CYS A 110 6.506 -4.752 -11.221 1.00 0.00 H new ATOM 0 HA CYS A 110 4.356 -4.817 -13.151 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.553 -2.534 -11.515 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.063 -2.435 -12.434 1.00 0.00 H new ATOM 0 HG CYS A 110 2.844 -4.513 -10.792 1.00 0.00 H new ATOM 1762 N GLN A 111 7.149 -3.874 -14.263 1.00 0.00 N ATOM 1763 CA GLN A 111 7.940 -3.294 -15.355 1.00 0.00 C ATOM 1764 C GLN A 111 7.725 -4.014 -16.700 1.00 0.00 C ATOM 1765 O GLN A 111 7.929 -3.407 -17.753 1.00 0.00 O ATOM 1766 CB GLN A 111 9.437 -3.319 -14.979 1.00 0.00 C ATOM 1767 CG GLN A 111 9.776 -2.715 -13.603 1.00 0.00 C ATOM 1768 CD GLN A 111 9.270 -1.281 -13.426 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.630 -0.367 -14.158 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.415 -1.028 -12.458 1.00 0.00 N ATOM 0 H GLN A 111 7.686 -4.511 -13.674 1.00 0.00 H new ATOM 0 HA GLN A 111 7.600 -2.267 -15.489 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.784 -4.352 -15.000 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.997 -2.779 -15.743 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.345 -3.343 -12.823 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.857 -2.730 -13.464 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.106 -1.779 -11.841 1.00 0.00 H new ATOM 0 HE22 GLN A 111 8.061 -0.081 -12.325 1.00 0.00 H new ATOM 1779 N GLY A 112 7.303 -5.289 -16.680 1.00 0.00 N ATOM 1780 CA GLY A 112 7.083 -6.103 -17.885 1.00 0.00 C ATOM 1781 C GLY A 112 5.659 -6.007 -18.438 1.00 0.00 C ATOM 1782 O GLY A 112 5.472 -5.985 -19.654 1.00 0.00 O ATOM 0 H GLY A 112 7.103 -5.789 -15.814 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.786 -5.791 -18.658 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.305 -7.145 -17.655 1.00 0.00 H new ATOM 1786 N SER A 113 4.657 -5.935 -17.560 1.00 0.00 N ATOM 1787 CA SER A 113 3.224 -5.878 -17.893 1.00 0.00 C ATOM 1788 C SER A 113 2.376 -5.553 -16.646 1.00 0.00 C ATOM 1789 O SER A 113 2.801 -5.807 -15.514 1.00 0.00 O ATOM 1790 CB SER A 113 2.762 -7.211 -18.510 1.00 0.00 C ATOM 1791 OG SER A 113 1.464 -7.088 -19.076 1.00 0.00 O ATOM 0 H SER A 113 4.824 -5.914 -16.554 1.00 0.00 H new ATOM 0 HA SER A 113 3.082 -5.080 -18.622 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.469 -7.525 -19.278 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.757 -7.987 -17.745 1.00 0.00 H new ATOM 0 HG SER A 113 1.193 -7.947 -19.463 1.00 0.00 H new ATOM 1797 N LEU A 114 1.176 -4.991 -16.846 1.00 0.00 N ATOM 1798 CA LEU A 114 0.197 -4.667 -15.804 1.00 0.00 C ATOM 1799 C LEU A 114 -1.149 -5.387 -16.040 1.00 0.00 C ATOM 1800 O LEU A 114 -1.519 -5.614 -17.199 1.00 0.00 O ATOM 1801 CB LEU A 114 -0.011 -3.144 -15.809 1.00 0.00 C ATOM 1802 CG LEU A 114 1.214 -2.326 -15.359 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.936 -0.847 -15.640 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.518 -2.526 -13.870 1.00 0.00 C ATOM 0 H LEU A 114 0.849 -4.740 -17.779 1.00 0.00 H new ATOM 0 HA LEU A 114 0.574 -5.005 -14.839 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.289 -2.832 -16.816 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.851 -2.903 -15.157 1.00 0.00 H new ATOM 0 HG LEU A 114 2.087 -2.668 -15.915 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.793 -0.250 -15.328 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.764 -0.705 -16.707 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.052 -0.531 -15.085 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.389 -1.932 -13.593 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.660 -2.209 -13.278 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.722 -3.580 -13.679 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.920 -5.693 -14.976 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.227 -6.336 -15.077 1.00 0.00 C ATOM 1818 C PRO A 115 -4.271 -5.397 -15.688 1.00 0.00 C ATOM 1819 O PRO A 115 -4.172 -4.176 -15.572 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.603 -6.716 -13.643 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.905 -5.654 -12.800 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.614 -5.418 -13.581 1.00 0.00 C ATOM 0 HA PRO A 115 -3.192 -7.206 -15.733 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.683 -6.702 -13.494 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.260 -7.719 -13.390 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.501 -4.745 -12.715 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.709 -6.003 -11.786 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.266 -4.393 -13.455 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.818 -6.071 -13.222 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.290 -5.980 -16.318 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.475 -5.262 -16.796 1.00 0.00 C ATOM 1832 C ASP A 116 -7.448 -4.944 -15.644 1.00 0.00 C ATOM 1833 O ASP A 116 -7.668 -5.748 -14.734 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.160 -6.084 -17.902 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.444 -5.435 -18.453 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.527 -4.182 -18.527 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.375 -6.188 -18.820 1.00 0.00 O ATOM 0 H ASP A 116 -5.318 -6.980 -16.515 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.161 -4.304 -17.212 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.457 -6.230 -18.722 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.402 -7.072 -17.510 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.051 -3.757 -15.724 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.039 -3.212 -14.776 1.00 0.00 C ATOM 1844 C ILE A 117 -10.286 -2.638 -15.471 1.00 0.00 C ATOM 1845 O ILE A 117 -11.187 -2.137 -14.806 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.383 -2.129 -13.891 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.920 -0.940 -14.767 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.238 -2.715 -13.040 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.544 0.283 -13.948 1.00 0.00 C ATOM 0 H ILE A 117 -7.857 -3.112 -16.490 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.376 -4.045 -14.159 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.124 -1.753 -13.186 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.063 -1.248 -15.366 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.716 -0.675 -15.462 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.798 -1.926 -12.429 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.630 -3.499 -12.393 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.475 -3.134 -13.696 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.227 1.085 -14.615 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.407 0.612 -13.369 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.728 0.031 -13.271 1.00 0.00 H new ATOM 1861 N SER A 118 -10.349 -2.662 -16.800 1.00 0.00 N ATOM 1862 CA SER A 118 -11.444 -2.053 -17.583 1.00 0.00 C ATOM 1863 C SER A 118 -12.812 -2.752 -17.413 1.00 0.00 C ATOM 1864 O SER A 118 -13.848 -2.214 -17.809 1.00 0.00 O ATOM 1865 CB SER A 118 -11.050 -1.950 -19.067 1.00 0.00 C ATOM 1866 OG SER A 118 -10.835 -3.217 -19.676 1.00 0.00 O ATOM 0 H SER A 118 -9.637 -3.108 -17.379 1.00 0.00 H new ATOM 0 HA SER A 118 -11.585 -1.052 -17.176 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.834 -1.421 -19.609 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.143 -1.352 -19.155 1.00 0.00 H new ATOM 0 HG SER A 118 -10.097 -3.676 -19.224 1.00 0.00 H new ATOM 1872 N SER A 119 -12.843 -3.923 -16.773 1.00 0.00 N ATOM 1873 CA SER A 119 -14.051 -4.632 -16.333 1.00 0.00 C ATOM 1874 C SER A 119 -14.586 -4.171 -14.958 1.00 0.00 C ATOM 1875 O SER A 119 -15.708 -4.528 -14.585 1.00 0.00 O ATOM 1876 CB SER A 119 -13.740 -6.136 -16.291 1.00 0.00 C ATOM 1877 OG SER A 119 -12.578 -6.409 -15.512 1.00 0.00 O ATOM 0 H SER A 119 -11.989 -4.427 -16.536 1.00 0.00 H new ATOM 0 HA SER A 119 -14.840 -4.402 -17.050 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.592 -6.673 -15.875 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.594 -6.507 -17.306 1.00 0.00 H new ATOM 0 HG SER A 119 -12.409 -7.374 -15.504 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.806 -3.378 -14.209 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.118 -2.893 -12.860 1.00 0.00 C ATOM 1885 C CYS A 120 -14.893 -1.557 -12.885 1.00 0.00 C ATOM 1886 O CYS A 120 -15.965 -1.482 -12.245 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.809 -2.762 -12.065 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.738 -4.226 -12.057 1.00 0.00 S ATOM 1889 OXT CYS A 120 -14.399 -0.568 -13.477 1.00 0.00 O ATOM 0 H CYS A 120 -12.902 -3.044 -14.543 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.773 -3.615 -12.372 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.243 -1.923 -12.470 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -13.056 -2.511 -11.034 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.384 -5.234 -11.550 1.00 0.00 H new