USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 621 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 1 GLY N :NH3+ 164:sc= 1.29 (180deg=0.00105) USER MOD Set 1.2: A 48 GLN : amide:sc= 1.01 K(o=2.3,f=-6.4!) USER MOD Set 2.1: A 7 MET CE :methyl 174:sc= -1.16 (180deg=-1.31) USER MOD Set 2.2: A 58 LYS NZ :NH3+ 154:sc= 1.74 (180deg=0.0901) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.835) USER MOD Single : A 12 MET CE :methyl -154:sc= -0.658 (180deg=-2) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0936 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -0.525 K(o=-0.52,f=-2.1!) USER MOD Single : A 16 SER OG : rot -44:sc= 0.75 USER MOD Single : A 17 CYS SG : rot -120:sc= -0.338 USER MOD Single : A 18 THR OG1 : rot 93:sc= 0.87 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00884 K(o=-0.0088,f=-0.82) USER MOD Single : A 32 GLN : amide:sc= 1.09 K(o=1.1,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 150:sc= 0.788 USER MOD Single : A 40 ASN : amide:sc=-0.00831 X(o=-0.0083,f=-0.22) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 92:sc= 0.0687 USER MOD Single : A 50 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-0.76) USER MOD Single : A 53 SER OG : rot 111:sc= 1.26 USER MOD Single : A 57 MET CE :methyl -122:sc= -1.25 (180deg=-2.03) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 0.953 (180deg=0.51) USER MOD Single : A 60 GLN : amide:sc= -0.132 K(o=-0.13,f=-2!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= -0.0639 (180deg=-0.0727) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 1.15 (180deg=0.978) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.200 6.984 13.297 1.00 0.00 N ATOM 2 CA GLY A 1 -8.512 7.879 12.174 1.00 0.00 C ATOM 3 C GLY A 1 -7.595 7.481 11.035 1.00 0.00 C ATOM 4 O GLY A 1 -6.482 7.052 11.330 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.595 7.378 14.175 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.615 6.047 13.120 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.168 6.893 13.392 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.558 7.783 11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.353 8.921 12.453 1.00 0.00 H new ATOM 10 N GLU A 2 -8.064 7.539 9.788 1.00 0.00 N ATOM 11 CA GLU A 2 -7.288 7.123 8.632 1.00 0.00 C ATOM 12 C GLU A 2 -5.973 7.912 8.556 1.00 0.00 C ATOM 13 O GLU A 2 -5.976 9.139 8.623 1.00 0.00 O ATOM 14 CB GLU A 2 -8.171 7.219 7.379 1.00 0.00 C ATOM 15 CG GLU A 2 -8.673 8.639 7.074 1.00 0.00 C ATOM 16 CD GLU A 2 -9.751 8.619 6.003 1.00 0.00 C ATOM 17 OE1 GLU A 2 -10.905 8.292 6.364 1.00 0.00 O ATOM 18 OE2 GLU A 2 -9.400 8.868 4.831 1.00 0.00 O ATOM 0 H GLU A 2 -8.998 7.878 9.556 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.983 6.080 8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.607 6.852 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.030 6.560 7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.068 9.092 7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.840 9.260 6.744 1.00 0.00 H new ATOM 25 N VAL A 3 -4.849 7.196 8.477 1.00 0.00 N ATOM 26 CA VAL A 3 -3.506 7.716 8.446 1.00 0.00 C ATOM 27 C VAL A 3 -2.837 7.280 7.147 1.00 0.00 C ATOM 28 O VAL A 3 -3.198 6.265 6.552 1.00 0.00 O ATOM 29 CB VAL A 3 -2.710 7.283 9.677 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.018 8.166 10.890 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.958 5.832 10.027 1.00 0.00 C ATOM 0 H VAL A 3 -4.868 6.177 8.431 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.538 8.805 8.475 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.658 7.401 9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.433 7.827 11.745 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.761 9.200 10.662 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.080 8.100 11.128 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.373 5.565 10.907 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.017 5.684 10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.662 5.200 9.190 1.00 0.00 H new ATOM 41 N VAL A 4 -1.861 8.061 6.696 1.00 0.00 N ATOM 42 CA VAL A 4 -1.111 7.785 5.495 1.00 0.00 C ATOM 43 C VAL A 4 -0.096 6.683 5.810 1.00 0.00 C ATOM 44 O VAL A 4 0.316 6.514 6.955 1.00 0.00 O ATOM 45 CB VAL A 4 -0.469 9.110 5.046 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.566 8.899 3.947 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.553 10.065 4.525 1.00 0.00 C ATOM 0 H VAL A 4 -1.571 8.916 7.170 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.727 7.419 4.674 1.00 0.00 H new ATOM 0 HB VAL A 4 0.033 9.537 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.994 9.860 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.357 8.244 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.089 8.442 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.092 11.001 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.064 9.608 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.273 10.265 5.318 1.00 0.00 H new ATOM 57 N LEU A 5 0.291 5.922 4.792 1.00 0.00 N ATOM 58 CA LEU A 5 1.339 4.921 4.845 1.00 0.00 C ATOM 59 C LEU A 5 2.130 5.061 3.557 1.00 0.00 C ATOM 60 O LEU A 5 1.516 5.159 2.499 1.00 0.00 O ATOM 61 CB LEU A 5 0.712 3.534 4.895 1.00 0.00 C ATOM 62 CG LEU A 5 1.821 2.467 4.838 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.794 1.566 6.062 1.00 0.00 C ATOM 64 CD2 LEU A 5 1.731 1.663 3.539 1.00 0.00 C ATOM 0 H LEU A 5 -0.139 5.993 3.870 1.00 0.00 H new ATOM 0 HA LEU A 5 1.971 5.053 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.129 3.419 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.024 3.404 4.060 1.00 0.00 H new ATOM 0 HG LEU A 5 2.783 2.980 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.591 0.826 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.941 2.167 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.831 1.058 6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.523 0.915 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.762 1.167 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.844 2.334 2.687 1.00 0.00 H new ATOM 76 N LYS A 6 3.461 5.028 3.641 1.00 0.00 N ATOM 77 CA LYS A 6 4.336 4.984 2.481 1.00 0.00 C ATOM 78 C LYS A 6 5.029 3.620 2.429 1.00 0.00 C ATOM 79 O LYS A 6 5.490 3.119 3.458 1.00 0.00 O ATOM 80 CB LYS A 6 5.325 6.151 2.527 1.00 0.00 C ATOM 81 CG LYS A 6 5.846 6.452 1.113 1.00 0.00 C ATOM 82 CD LYS A 6 5.857 7.951 0.820 1.00 0.00 C ATOM 83 CE LYS A 6 7.116 8.601 1.410 1.00 0.00 C ATOM 84 NZ LYS A 6 7.011 10.072 1.460 1.00 0.00 N ATOM 0 H LYS A 6 3.962 5.031 4.529 1.00 0.00 H new ATOM 0 HA LYS A 6 3.761 5.098 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.839 7.035 2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.158 5.907 3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.855 6.053 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.221 5.943 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.824 8.118 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.967 8.417 1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.285 8.216 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.983 8.320 0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.883 10.469 1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.876 10.443 0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.200 10.342 2.052 1.00 0.00 H new ATOM 98 N MET A 7 5.082 3.004 1.247 1.00 0.00 N ATOM 99 CA MET A 7 5.645 1.683 1.056 1.00 0.00 C ATOM 100 C MET A 7 6.382 1.594 -0.274 1.00 0.00 C ATOM 101 O MET A 7 5.908 2.123 -1.275 1.00 0.00 O ATOM 102 CB MET A 7 4.525 0.645 1.118 1.00 0.00 C ATOM 103 CG MET A 7 3.443 0.834 0.047 1.00 0.00 C ATOM 104 SD MET A 7 2.126 -0.403 0.075 1.00 0.00 S ATOM 105 CE MET A 7 1.398 -0.165 -1.564 1.00 0.00 C ATOM 0 H MET A 7 4.727 3.423 0.387 1.00 0.00 H new ATOM 0 HA MET A 7 6.366 1.486 1.849 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.958 -0.350 1.011 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.059 0.686 2.103 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.998 1.821 0.170 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.916 0.818 -0.935 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.640 -0.928 -1.740 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.939 0.822 -1.618 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.176 -0.245 -2.323 1.00 0.00 H new ATOM 115 N LYS A 8 7.494 0.863 -0.298 1.00 0.00 N ATOM 116 CA LYS A 8 8.136 0.446 -1.529 1.00 0.00 C ATOM 117 C LYS A 8 7.338 -0.702 -2.149 1.00 0.00 C ATOM 118 O LYS A 8 6.725 -1.502 -1.429 1.00 0.00 O ATOM 119 CB LYS A 8 9.591 0.048 -1.247 1.00 0.00 C ATOM 120 CG LYS A 8 10.567 1.225 -1.410 1.00 0.00 C ATOM 121 CD LYS A 8 10.608 1.710 -2.870 1.00 0.00 C ATOM 122 CE LYS A 8 11.966 2.297 -3.276 1.00 0.00 C ATOM 123 NZ LYS A 8 12.036 2.533 -4.735 1.00 0.00 N ATOM 0 H LYS A 8 7.973 0.545 0.544 1.00 0.00 H new ATOM 0 HA LYS A 8 8.155 1.269 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.667 -0.344 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.881 -0.757 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.265 2.045 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.565 0.920 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.369 0.876 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.835 2.465 -3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.132 3.235 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.763 1.616 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.854 3.139 -4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.140 1.624 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.164 3.002 -5.053 1.00 0.00 H new ATOM 137 N VAL A 9 7.332 -0.762 -3.484 1.00 0.00 N ATOM 138 CA VAL A 9 6.677 -1.782 -4.293 1.00 0.00 C ATOM 139 C VAL A 9 7.657 -2.259 -5.372 1.00 0.00 C ATOM 140 O VAL A 9 7.322 -2.337 -6.553 1.00 0.00 O ATOM 141 CB VAL A 9 5.357 -1.250 -4.890 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.455 -2.433 -5.270 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.586 -0.333 -3.933 1.00 0.00 C ATOM 0 H VAL A 9 7.809 -0.063 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 9 6.406 -2.635 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 9 5.626 -0.658 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.522 -2.059 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.962 -3.055 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.239 -3.026 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.669 0.006 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.338 -0.881 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.203 0.529 -3.679 1.00 0.00 H new ATOM 153 N GLU A 10 8.882 -2.576 -4.953 1.00 0.00 N ATOM 154 CA GLU A 10 9.916 -3.068 -5.846 1.00 0.00 C ATOM 155 C GLU A 10 9.429 -4.350 -6.537 1.00 0.00 C ATOM 156 O GLU A 10 8.743 -5.166 -5.919 1.00 0.00 O ATOM 157 CB GLU A 10 11.201 -3.324 -5.054 1.00 0.00 C ATOM 158 CG GLU A 10 11.704 -2.074 -4.318 1.00 0.00 C ATOM 159 CD GLU A 10 12.311 -1.020 -5.235 1.00 0.00 C ATOM 160 OE1 GLU A 10 13.455 -1.238 -5.680 1.00 0.00 O ATOM 161 OE2 GLU A 10 11.656 0.029 -5.420 1.00 0.00 O ATOM 0 H GLU A 10 9.180 -2.496 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 10 10.129 -2.323 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.024 -4.120 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.977 -3.677 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.874 -1.629 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.450 -2.373 -3.581 1.00 0.00 H new ATOM 168 N GLY A 11 9.783 -4.531 -7.812 1.00 0.00 N ATOM 169 CA GLY A 11 9.540 -5.773 -8.539 1.00 0.00 C ATOM 170 C GLY A 11 8.603 -5.593 -9.731 1.00 0.00 C ATOM 171 O GLY A 11 8.761 -6.293 -10.730 1.00 0.00 O ATOM 0 H GLY A 11 10.248 -3.814 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.491 -6.175 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.114 -6.509 -7.857 1.00 0.00 H new ATOM 175 N MET A 12 7.625 -4.686 -9.637 1.00 0.00 N ATOM 176 CA MET A 12 6.744 -4.411 -10.767 1.00 0.00 C ATOM 177 C MET A 12 7.575 -3.963 -11.974 1.00 0.00 C ATOM 178 O MET A 12 8.606 -3.311 -11.820 1.00 0.00 O ATOM 179 CB MET A 12 5.699 -3.353 -10.401 1.00 0.00 C ATOM 180 CG MET A 12 4.728 -3.859 -9.328 1.00 0.00 C ATOM 181 SD MET A 12 3.399 -2.712 -8.879 1.00 0.00 S ATOM 182 CE MET A 12 4.391 -1.252 -8.501 1.00 0.00 C ATOM 0 H MET A 12 7.428 -4.138 -8.799 1.00 0.00 H new ATOM 0 HA MET A 12 6.210 -5.325 -11.027 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.201 -2.455 -10.042 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.140 -3.071 -11.293 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.280 -4.789 -9.677 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.298 -4.098 -8.430 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.853 -0.619 -7.795 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.340 -1.560 -8.062 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.580 -0.693 -9.418 1.00 0.00 H new ATOM 192 N THR A 13 7.132 -4.344 -13.171 1.00 0.00 N ATOM 193 CA THR A 13 7.783 -4.015 -14.424 1.00 0.00 C ATOM 194 C THR A 13 7.441 -2.568 -14.814 1.00 0.00 C ATOM 195 O THR A 13 6.973 -1.794 -13.980 1.00 0.00 O ATOM 196 CB THR A 13 7.309 -5.065 -15.443 1.00 0.00 C ATOM 197 OG1 THR A 13 5.902 -5.187 -15.360 1.00 0.00 O ATOM 198 CG2 THR A 13 7.921 -6.432 -15.115 1.00 0.00 C ATOM 0 H THR A 13 6.288 -4.904 -13.292 1.00 0.00 H new ATOM 0 HA THR A 13 8.871 -4.050 -14.366 1.00 0.00 H new ATOM 0 HB THR A 13 7.615 -4.750 -16.441 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.593 -5.854 -16.008 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.579 -7.168 -15.843 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.008 -6.363 -15.153 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.612 -6.739 -14.116 1.00 0.00 H new ATOM 206 N CYS A 14 7.673 -2.187 -16.077 1.00 0.00 N ATOM 207 CA CYS A 14 7.267 -0.885 -16.601 1.00 0.00 C ATOM 208 C CYS A 14 5.743 -0.695 -16.528 1.00 0.00 C ATOM 209 O CYS A 14 5.028 -1.576 -16.056 1.00 0.00 O ATOM 210 CB CYS A 14 7.782 -0.707 -18.035 1.00 0.00 C ATOM 211 SG CYS A 14 6.754 -1.668 -19.172 1.00 0.00 S ATOM 0 H CYS A 14 8.148 -2.776 -16.761 1.00 0.00 H new ATOM 0 HA CYS A 14 7.714 -0.113 -15.975 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.761 0.347 -18.312 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.820 -1.033 -18.103 1.00 0.00 H new ATOM 0 HG CYS A 14 7.190 -1.514 -20.387 1.00 0.00 H new ATOM 217 N HIS A 15 5.259 0.466 -16.990 1.00 0.00 N ATOM 218 CA HIS A 15 3.877 0.956 -16.945 1.00 0.00 C ATOM 219 C HIS A 15 2.812 -0.049 -17.424 1.00 0.00 C ATOM 220 O HIS A 15 2.209 0.099 -18.487 1.00 0.00 O ATOM 221 CB HIS A 15 3.820 2.287 -17.713 1.00 0.00 C ATOM 222 CG HIS A 15 4.263 2.190 -19.154 1.00 0.00 C ATOM 223 ND1 HIS A 15 3.504 1.699 -20.189 1.00 0.00 N ATOM 224 CD2 HIS A 15 5.504 2.480 -19.658 1.00 0.00 C ATOM 225 CE1 HIS A 15 4.266 1.702 -21.296 1.00 0.00 C ATOM 226 NE2 HIS A 15 5.497 2.166 -21.020 1.00 0.00 N ATOM 0 H HIS A 15 5.876 1.141 -17.442 1.00 0.00 H new ATOM 0 HA HIS A 15 3.611 1.106 -15.899 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.799 2.667 -17.683 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.447 3.017 -17.200 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.535 1.388 -20.128 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.339 2.880 -19.102 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.935 1.377 -22.271 1.00 0.00 H new ATOM 234 N SER A 16 2.558 -1.073 -16.613 1.00 0.00 N ATOM 235 CA SER A 16 1.777 -2.242 -16.974 1.00 0.00 C ATOM 236 C SER A 16 1.341 -2.970 -15.700 1.00 0.00 C ATOM 237 O SER A 16 1.204 -4.194 -15.701 1.00 0.00 O ATOM 238 CB SER A 16 2.673 -3.139 -17.837 1.00 0.00 C ATOM 239 OG SER A 16 1.977 -4.289 -18.278 1.00 0.00 O ATOM 0 H SER A 16 2.905 -1.108 -15.654 1.00 0.00 H new ATOM 0 HA SER A 16 0.880 -1.969 -17.529 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.033 -2.576 -18.699 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.550 -3.440 -17.264 1.00 0.00 H new ATOM 0 HG SER A 16 1.461 -4.664 -17.534 1.00 0.00 H new ATOM 245 N CYS A 17 1.153 -2.226 -14.609 1.00 0.00 N ATOM 246 CA CYS A 17 0.787 -2.753 -13.304 1.00 0.00 C ATOM 247 C CYS A 17 0.283 -1.567 -12.474 1.00 0.00 C ATOM 248 O CYS A 17 -0.306 -0.662 -13.063 1.00 0.00 O ATOM 249 CB CYS A 17 1.975 -3.509 -12.686 1.00 0.00 C ATOM 250 SG CYS A 17 1.348 -4.678 -11.461 1.00 0.00 S ATOM 0 H CYS A 17 1.255 -1.211 -14.615 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.012 -3.493 -13.357 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.531 -4.037 -13.461 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.667 -2.808 -12.219 1.00 0.00 H new ATOM 0 HG CYS A 17 1.845 -4.393 -10.294 1.00 0.00 H new ATOM 256 N THR A 18 0.513 -1.535 -11.156 1.00 0.00 N ATOM 257 CA THR A 18 0.027 -0.515 -10.228 1.00 0.00 C ATOM 258 C THR A 18 -1.499 -0.474 -10.199 1.00 0.00 C ATOM 259 O THR A 18 -2.084 -0.926 -9.229 1.00 0.00 O ATOM 260 CB THR A 18 0.674 0.873 -10.436 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.042 1.724 -11.305 1.00 0.00 O ATOM 262 CG2 THR A 18 2.130 0.780 -10.893 1.00 0.00 C ATOM 0 H THR A 18 1.068 -2.253 -10.690 1.00 0.00 H new ATOM 0 HA THR A 18 0.356 -0.816 -9.234 1.00 0.00 H new ATOM 0 HB THR A 18 0.640 1.325 -9.445 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.659 2.280 -10.784 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.535 1.783 -11.024 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.714 0.248 -10.142 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.181 0.242 -11.840 1.00 0.00 H new ATOM 270 N SER A 19 -2.153 0.014 -11.250 1.00 0.00 N ATOM 271 CA SER A 19 -3.569 0.353 -11.227 1.00 0.00 C ATOM 272 C SER A 19 -4.436 -0.814 -10.782 1.00 0.00 C ATOM 273 O SER A 19 -5.321 -0.663 -9.940 1.00 0.00 O ATOM 274 CB SER A 19 -3.973 0.971 -12.570 1.00 0.00 C ATOM 275 OG SER A 19 -5.306 1.439 -12.533 1.00 0.00 O ATOM 0 H SER A 19 -1.707 0.186 -12.151 1.00 0.00 H new ATOM 0 HA SER A 19 -3.745 1.112 -10.465 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.301 1.795 -12.812 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.866 0.230 -13.362 1.00 0.00 H new ATOM 0 HG SER A 19 -5.540 1.830 -13.401 1.00 0.00 H new ATOM 281 N THR A 20 -4.102 -2.001 -11.277 1.00 0.00 N ATOM 282 CA THR A 20 -4.600 -3.252 -10.751 1.00 0.00 C ATOM 283 C THR A 20 -4.549 -3.299 -9.219 1.00 0.00 C ATOM 284 O THR A 20 -5.572 -3.489 -8.563 1.00 0.00 O ATOM 285 CB THR A 20 -3.758 -4.363 -11.383 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.018 -4.398 -12.770 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.080 -5.703 -10.738 1.00 0.00 C ATOM 0 H THR A 20 -3.467 -2.115 -12.067 1.00 0.00 H new ATOM 0 HA THR A 20 -5.653 -3.376 -11.003 1.00 0.00 H new ATOM 0 HB THR A 20 -2.699 -4.162 -11.220 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.482 -5.106 -13.186 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.473 -6.483 -11.198 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.862 -5.655 -9.671 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.136 -5.932 -10.882 1.00 0.00 H new ATOM 295 N ILE A 21 -3.348 -3.167 -8.655 1.00 0.00 N ATOM 296 CA ILE A 21 -3.122 -3.153 -7.228 1.00 0.00 C ATOM 297 C ILE A 21 -3.937 -2.024 -6.603 1.00 0.00 C ATOM 298 O ILE A 21 -4.634 -2.271 -5.634 1.00 0.00 O ATOM 299 CB ILE A 21 -1.606 -3.063 -6.941 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.920 -4.409 -7.229 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.283 -2.634 -5.509 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.348 -4.476 -8.643 1.00 0.00 C ATOM 0 H ILE A 21 -2.492 -3.065 -9.200 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.463 -4.080 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.223 -2.290 -7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.119 -4.568 -6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.638 -5.217 -7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.202 -2.592 -5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.711 -1.650 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.706 -3.355 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.126 -5.445 -8.798 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.152 -4.345 -9.367 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.391 -3.686 -8.774 1.00 0.00 H new ATOM 314 N GLU A 22 -3.887 -0.808 -7.139 1.00 0.00 N ATOM 315 CA GLU A 22 -4.537 0.358 -6.564 1.00 0.00 C ATOM 316 C GLU A 22 -6.040 0.082 -6.411 1.00 0.00 C ATOM 317 O GLU A 22 -6.590 0.011 -5.314 1.00 0.00 O ATOM 318 CB GLU A 22 -4.212 1.590 -7.431 1.00 0.00 C ATOM 319 CG GLU A 22 -2.697 1.864 -7.415 1.00 0.00 C ATOM 320 CD GLU A 22 -2.230 2.931 -8.397 1.00 0.00 C ATOM 321 OE1 GLU A 22 -1.862 2.546 -9.530 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.155 4.099 -7.955 1.00 0.00 O ATOM 0 H GLU A 22 -3.383 -0.605 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.163 0.571 -5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.548 1.423 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.751 2.460 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.407 2.165 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.172 0.934 -7.633 1.00 0.00 H new ATOM 329 N GLY A 23 -6.690 -0.139 -7.545 1.00 0.00 N ATOM 330 CA GLY A 23 -8.081 -0.548 -7.650 1.00 0.00 C ATOM 331 C GLY A 23 -8.420 -1.702 -6.704 1.00 0.00 C ATOM 332 O GLY A 23 -9.344 -1.589 -5.898 1.00 0.00 O ATOM 0 H GLY A 23 -6.242 -0.033 -8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.725 0.303 -7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.293 -0.848 -8.676 1.00 0.00 H new ATOM 336 N LYS A 24 -7.693 -2.821 -6.797 1.00 0.00 N ATOM 337 CA LYS A 24 -7.989 -4.004 -5.997 1.00 0.00 C ATOM 338 C LYS A 24 -7.859 -3.700 -4.505 1.00 0.00 C ATOM 339 O LYS A 24 -8.756 -4.002 -3.726 1.00 0.00 O ATOM 340 CB LYS A 24 -7.106 -5.183 -6.432 1.00 0.00 C ATOM 341 CG LYS A 24 -7.354 -6.433 -5.570 1.00 0.00 C ATOM 342 CD LYS A 24 -7.121 -7.711 -6.386 1.00 0.00 C ATOM 343 CE LYS A 24 -7.190 -8.951 -5.480 1.00 0.00 C ATOM 344 NZ LYS A 24 -7.249 -10.209 -6.255 1.00 0.00 N ATOM 0 H LYS A 24 -6.894 -2.927 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.025 -4.295 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.303 -5.418 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.057 -4.896 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.690 -6.422 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.375 -6.421 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.870 -7.787 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.148 -7.665 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.318 -8.970 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.068 -8.881 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.294 -11.017 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.095 -10.205 -6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.399 -10.291 -6.849 1.00 0.00 H new ATOM 358 N ILE A 25 -6.749 -3.107 -4.086 1.00 0.00 N ATOM 359 CA ILE A 25 -6.506 -2.719 -2.715 1.00 0.00 C ATOM 360 C ILE A 25 -7.588 -1.753 -2.231 1.00 0.00 C ATOM 361 O ILE A 25 -8.016 -1.844 -1.084 1.00 0.00 O ATOM 362 CB ILE A 25 -5.076 -2.166 -2.629 1.00 0.00 C ATOM 363 CG1 ILE A 25 -4.000 -3.229 -2.901 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.823 -1.370 -1.359 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.878 -4.228 -1.769 1.00 0.00 C ATOM 0 H ILE A 25 -5.976 -2.879 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.571 -3.570 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.988 -1.450 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.240 -3.757 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.039 -2.738 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.796 -1.006 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.508 -0.523 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.983 -2.009 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.105 -4.958 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.611 -3.706 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.830 -4.740 -1.632 1.00 0.00 H new ATOM 377 N GLY A 26 -8.104 -0.896 -3.115 1.00 0.00 N ATOM 378 CA GLY A 26 -9.266 -0.061 -2.844 1.00 0.00 C ATOM 379 C GLY A 26 -10.508 -0.823 -2.357 1.00 0.00 C ATOM 380 O GLY A 26 -11.412 -0.197 -1.807 1.00 0.00 O ATOM 0 H GLY A 26 -7.718 -0.764 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.995 0.681 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.524 0.484 -3.752 1.00 0.00 H new ATOM 384 N LYS A 27 -10.592 -2.148 -2.543 1.00 0.00 N ATOM 385 CA LYS A 27 -11.697 -2.954 -2.039 1.00 0.00 C ATOM 386 C LYS A 27 -11.428 -3.408 -0.600 1.00 0.00 C ATOM 387 O LYS A 27 -12.358 -3.856 0.070 1.00 0.00 O ATOM 388 CB LYS A 27 -11.934 -4.156 -2.970 1.00 0.00 C ATOM 389 CG LYS A 27 -13.087 -3.935 -3.959 1.00 0.00 C ATOM 390 CD LYS A 27 -14.400 -4.512 -3.409 1.00 0.00 C ATOM 391 CE LYS A 27 -15.452 -4.638 -4.522 1.00 0.00 C ATOM 392 NZ LYS A 27 -16.647 -5.382 -4.070 1.00 0.00 N ATOM 0 H LYS A 27 -9.889 -2.686 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.601 -2.346 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.020 -4.362 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.145 -5.039 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.206 -2.869 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.849 -4.407 -4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.215 -5.490 -2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.780 -3.869 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.748 -3.644 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.012 -5.145 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.332 -5.445 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.369 -6.340 -3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -17.082 -4.885 -3.266 1.00 0.00 H new ATOM 406 N LEU A 28 -10.176 -3.368 -0.129 1.00 0.00 N ATOM 407 CA LEU A 28 -9.806 -3.996 1.116 1.00 0.00 C ATOM 408 C LEU A 28 -10.340 -3.234 2.330 1.00 0.00 C ATOM 409 O LEU A 28 -10.309 -2.004 2.393 1.00 0.00 O ATOM 410 CB LEU A 28 -8.288 -4.108 1.225 1.00 0.00 C ATOM 411 CG LEU A 28 -7.564 -5.076 0.277 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.994 -6.226 1.094 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.413 -5.700 -0.823 1.00 0.00 C ATOM 0 H LEU A 28 -9.406 -2.900 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.255 -4.989 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.868 -3.114 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.048 -4.400 2.247 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.813 -4.461 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.477 -6.921 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.292 -5.836 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.804 -6.746 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.795 -6.364 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.227 -6.270 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.826 -4.913 -1.455 1.00 0.00 H new ATOM 425 N GLN A 29 -10.765 -3.995 3.336 1.00 0.00 N ATOM 426 CA GLN A 29 -11.223 -3.472 4.610 1.00 0.00 C ATOM 427 C GLN A 29 -10.123 -2.651 5.296 1.00 0.00 C ATOM 428 O GLN A 29 -9.059 -3.176 5.620 1.00 0.00 O ATOM 429 CB GLN A 29 -11.767 -4.622 5.467 1.00 0.00 C ATOM 430 CG GLN A 29 -10.658 -5.592 5.895 1.00 0.00 C ATOM 431 CD GLN A 29 -11.153 -7.015 6.135 1.00 0.00 C ATOM 432 OE1 GLN A 29 -12.349 -7.269 6.231 1.00 0.00 O ATOM 433 NE2 GLN A 29 -10.231 -7.971 6.202 1.00 0.00 N ATOM 0 H GLN A 29 -10.799 -5.013 3.282 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.046 -2.774 4.455 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.255 -4.215 6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.527 -5.165 4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.885 -5.609 5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.192 -5.219 6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.243 -7.733 6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.512 -8.942 6.336 1.00 0.00 H new ATOM 442 N GLY A 30 -10.375 -1.357 5.507 1.00 0.00 N ATOM 443 CA GLY A 30 -9.499 -0.475 6.264 1.00 0.00 C ATOM 444 C GLY A 30 -8.859 0.589 5.390 1.00 0.00 C ATOM 445 O GLY A 30 -8.488 1.644 5.900 1.00 0.00 O ATOM 0 H GLY A 30 -11.208 -0.890 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.069 0.005 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.719 -1.066 6.744 1.00 0.00 H new ATOM 449 N VAL A 31 -8.726 0.322 4.091 1.00 0.00 N ATOM 450 CA VAL A 31 -8.146 1.261 3.160 1.00 0.00 C ATOM 451 C VAL A 31 -9.188 2.313 2.801 1.00 0.00 C ATOM 452 O VAL A 31 -10.369 2.009 2.651 1.00 0.00 O ATOM 453 CB VAL A 31 -7.654 0.471 1.939 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.595 1.299 0.655 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.259 -0.074 2.241 1.00 0.00 C ATOM 0 H VAL A 31 -9.021 -0.556 3.664 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.295 1.789 3.590 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.375 -0.328 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.239 0.675 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.590 1.675 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.914 2.138 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.895 -0.638 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.581 0.755 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.304 -0.728 3.112 1.00 0.00 H new ATOM 465 N GLN A 32 -8.715 3.549 2.654 1.00 0.00 N ATOM 466 CA GLN A 32 -9.479 4.683 2.171 1.00 0.00 C ATOM 467 C GLN A 32 -9.002 5.058 0.772 1.00 0.00 C ATOM 468 O GLN A 32 -9.823 5.263 -0.119 1.00 0.00 O ATOM 469 CB GLN A 32 -9.386 5.824 3.180 1.00 0.00 C ATOM 470 CG GLN A 32 -10.626 5.866 4.077 1.00 0.00 C ATOM 471 CD GLN A 32 -11.754 6.695 3.466 1.00 0.00 C ATOM 472 OE1 GLN A 32 -12.052 6.574 2.281 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.404 7.531 4.263 1.00 0.00 N ATOM 0 H GLN A 32 -7.750 3.791 2.879 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.536 4.434 2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.493 5.700 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.282 6.772 2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.979 4.850 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.356 6.283 5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.136 7.613 5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.172 8.093 3.895 1.00 0.00 H new ATOM 482 N ARG A 33 -7.684 5.134 0.540 1.00 0.00 N ATOM 483 CA ARG A 33 -7.187 5.426 -0.798 1.00 0.00 C ATOM 484 C ARG A 33 -5.785 4.852 -0.979 1.00 0.00 C ATOM 485 O ARG A 33 -5.117 4.526 0.003 1.00 0.00 O ATOM 486 CB ARG A 33 -7.243 6.947 -1.036 1.00 0.00 C ATOM 487 CG ARG A 33 -7.666 7.318 -2.465 1.00 0.00 C ATOM 488 CD ARG A 33 -8.324 8.705 -2.448 1.00 0.00 C ATOM 489 NE ARG A 33 -8.794 9.107 -3.784 1.00 0.00 N ATOM 490 CZ ARG A 33 -9.552 10.192 -4.024 1.00 0.00 C ATOM 491 NH1 ARG A 33 -9.904 10.994 -3.013 1.00 0.00 N ATOM 492 NH2 ARG A 33 -9.945 10.472 -5.272 1.00 0.00 N ATOM 0 H ARG A 33 -6.962 5.000 1.248 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.817 4.948 -1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.942 7.394 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.263 7.377 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.799 7.321 -3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.362 6.576 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.165 8.699 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.610 9.441 -2.078 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.528 8.525 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.598 10.782 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.479 11.818 -3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.670 9.862 -6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.520 11.295 -5.453 1.00 0.00 H new ATOM 506 N ILE A 34 -5.355 4.731 -2.236 1.00 0.00 N ATOM 507 CA ILE A 34 -4.050 4.219 -2.613 1.00 0.00 C ATOM 508 C ILE A 34 -3.569 4.948 -3.865 1.00 0.00 C ATOM 509 O ILE A 34 -4.368 5.224 -4.758 1.00 0.00 O ATOM 510 CB ILE A 34 -4.087 2.685 -2.770 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.707 2.187 -3.229 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.190 2.197 -3.727 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.482 0.685 -3.027 1.00 0.00 C ATOM 0 H ILE A 34 -5.927 4.996 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.325 4.415 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.332 2.264 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.581 2.423 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.937 2.735 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.160 1.109 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.163 2.512 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.028 2.624 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.485 0.416 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.573 0.443 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.228 0.126 -3.593 1.00 0.00 H new ATOM 525 N LYS A 35 -2.282 5.307 -3.885 1.00 0.00 N ATOM 526 CA LYS A 35 -1.557 5.868 -5.010 1.00 0.00 C ATOM 527 C LYS A 35 -0.266 5.058 -5.152 1.00 0.00 C ATOM 528 O LYS A 35 0.521 5.058 -4.207 1.00 0.00 O ATOM 529 CB LYS A 35 -1.205 7.330 -4.683 1.00 0.00 C ATOM 530 CG LYS A 35 -2.398 8.203 -4.270 1.00 0.00 C ATOM 531 CD LYS A 35 -3.411 8.322 -5.416 1.00 0.00 C ATOM 532 CE LYS A 35 -3.812 9.779 -5.681 1.00 0.00 C ATOM 533 NZ LYS A 35 -4.528 10.378 -4.536 1.00 0.00 N ATOM 0 H LYS A 35 -1.689 5.204 -3.061 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.144 5.833 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.470 7.341 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.730 7.778 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.883 7.773 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.047 9.195 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.984 7.893 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.300 7.739 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.919 10.366 -5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.445 9.824 -6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.779 11.362 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.394 9.835 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.916 10.360 -3.696 1.00 0.00 H new ATOM 547 N VAL A 36 -0.033 4.360 -6.267 1.00 0.00 N ATOM 548 CA VAL A 36 1.175 3.558 -6.483 1.00 0.00 C ATOM 549 C VAL A 36 1.958 4.124 -7.672 1.00 0.00 C ATOM 550 O VAL A 36 1.483 4.088 -8.802 1.00 0.00 O ATOM 551 CB VAL A 36 0.798 2.077 -6.681 1.00 0.00 C ATOM 552 CG1 VAL A 36 2.007 1.214 -7.055 1.00 0.00 C ATOM 553 CG2 VAL A 36 0.154 1.461 -5.432 1.00 0.00 C ATOM 0 H VAL A 36 -0.683 4.335 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 36 1.821 3.610 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 36 0.078 2.081 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.690 0.179 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.440 1.579 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.753 1.269 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.092 0.417 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.851 1.520 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.756 2.008 -5.185 1.00 0.00 H new ATOM 563 N SER A 37 3.169 4.642 -7.429 1.00 0.00 N ATOM 564 CA SER A 37 3.997 5.226 -8.474 1.00 0.00 C ATOM 565 C SER A 37 4.894 4.151 -9.086 1.00 0.00 C ATOM 566 O SER A 37 5.887 3.758 -8.472 1.00 0.00 O ATOM 567 CB SER A 37 4.831 6.374 -7.895 1.00 0.00 C ATOM 568 OG SER A 37 5.647 6.970 -8.887 1.00 0.00 O ATOM 0 H SER A 37 3.595 4.665 -6.502 1.00 0.00 H new ATOM 0 HA SER A 37 3.360 5.629 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.169 7.126 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.456 5.999 -7.084 1.00 0.00 H new ATOM 0 HG SER A 37 5.782 7.917 -8.674 1.00 0.00 H new ATOM 574 N LEU A 38 4.580 3.715 -10.312 1.00 0.00 N ATOM 575 CA LEU A 38 5.494 2.952 -11.147 1.00 0.00 C ATOM 576 C LEU A 38 6.855 3.655 -11.178 1.00 0.00 C ATOM 577 O LEU A 38 7.873 3.017 -10.924 1.00 0.00 O ATOM 578 CB LEU A 38 4.819 2.737 -12.516 1.00 0.00 C ATOM 579 CG LEU A 38 5.680 2.623 -13.775 1.00 0.00 C ATOM 580 CD1 LEU A 38 6.312 3.924 -14.277 1.00 0.00 C ATOM 581 CD2 LEU A 38 6.686 1.472 -13.724 1.00 0.00 C ATOM 0 H LEU A 38 3.675 3.887 -10.749 1.00 0.00 H new ATOM 0 HA LEU A 38 5.704 1.958 -10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.222 1.827 -12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.124 3.563 -12.670 1.00 0.00 H new ATOM 0 HG LEU A 38 4.945 2.374 -14.540 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.899 3.721 -15.173 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.527 4.643 -14.512 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.961 4.335 -13.504 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.262 1.451 -14.649 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.360 1.615 -12.880 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.153 0.528 -13.607 1.00 0.00 H new ATOM 593 N ASP A 39 6.883 4.968 -11.427 1.00 0.00 N ATOM 594 CA ASP A 39 8.119 5.733 -11.516 1.00 0.00 C ATOM 595 C ASP A 39 8.943 5.587 -10.248 1.00 0.00 C ATOM 596 O ASP A 39 10.099 5.171 -10.284 1.00 0.00 O ATOM 597 CB ASP A 39 7.808 7.217 -11.726 1.00 0.00 C ATOM 598 CG ASP A 39 6.915 7.418 -12.936 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.722 7.063 -12.789 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.437 7.875 -13.974 1.00 0.00 O ATOM 0 H ASP A 39 6.042 5.527 -11.572 1.00 0.00 H new ATOM 0 HA ASP A 39 8.687 5.345 -12.362 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.320 7.619 -10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.737 7.772 -11.858 1.00 0.00 H new ATOM 605 N ASN A 40 8.352 5.989 -9.119 1.00 0.00 N ATOM 606 CA ASN A 40 9.104 6.090 -7.880 1.00 0.00 C ATOM 607 C ASN A 40 9.381 4.694 -7.296 1.00 0.00 C ATOM 608 O ASN A 40 10.271 4.493 -6.461 1.00 0.00 O ATOM 609 CB ASN A 40 8.367 7.001 -6.887 1.00 0.00 C ATOM 610 CG ASN A 40 9.317 7.826 -6.023 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.460 7.450 -5.785 1.00 0.00 O ATOM 612 ND2 ASN A 40 8.858 8.986 -5.561 1.00 0.00 N ATOM 0 H ASN A 40 7.368 6.245 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 40 10.073 6.545 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.708 7.673 -7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.734 6.391 -6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.460 9.584 -4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.904 9.277 -5.772 1.00 0.00 H new ATOM 619 N GLN A 41 8.561 3.719 -7.714 1.00 0.00 N ATOM 620 CA GLN A 41 8.511 2.353 -7.197 1.00 0.00 C ATOM 621 C GLN A 41 8.111 2.357 -5.724 1.00 0.00 C ATOM 622 O GLN A 41 8.337 1.399 -4.987 1.00 0.00 O ATOM 623 CB GLN A 41 9.826 1.618 -7.450 1.00 0.00 C ATOM 624 CG GLN A 41 10.277 1.879 -8.879 1.00 0.00 C ATOM 625 CD GLN A 41 11.510 1.062 -9.244 1.00 0.00 C ATOM 626 OE1 GLN A 41 11.458 -0.163 -9.298 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.635 1.726 -9.498 1.00 0.00 N ATOM 0 H GLN A 41 7.882 3.875 -8.459 1.00 0.00 H new ATOM 0 HA GLN A 41 7.743 1.800 -7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.587 1.958 -6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.696 0.548 -7.286 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.465 1.638 -9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.495 2.940 -9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.649 2.745 -9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.483 1.216 -9.745 1.00 0.00 H new ATOM 636 N GLU A 42 7.504 3.471 -5.324 1.00 0.00 N ATOM 637 CA GLU A 42 6.942 3.718 -4.011 1.00 0.00 C ATOM 638 C GLU A 42 5.453 4.013 -4.175 1.00 0.00 C ATOM 639 O GLU A 42 4.997 4.415 -5.247 1.00 0.00 O ATOM 640 CB GLU A 42 7.703 4.846 -3.285 1.00 0.00 C ATOM 641 CG GLU A 42 7.742 4.585 -1.769 1.00 0.00 C ATOM 642 CD GLU A 42 8.529 5.622 -0.980 1.00 0.00 C ATOM 643 OE1 GLU A 42 8.259 6.824 -1.187 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.328 5.191 -0.118 1.00 0.00 O ATOM 0 H GLU A 42 7.387 4.269 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 42 7.052 2.838 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.719 4.915 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.220 5.803 -3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.720 4.554 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.178 3.602 -1.592 1.00 0.00 H new ATOM 651 N ALA A 43 4.691 3.780 -3.113 1.00 0.00 N ATOM 652 CA ALA A 43 3.258 3.959 -3.080 1.00 0.00 C ATOM 653 C ALA A 43 2.865 4.555 -1.741 1.00 0.00 C ATOM 654 O ALA A 43 3.564 4.348 -0.747 1.00 0.00 O ATOM 655 CB ALA A 43 2.588 2.606 -3.258 1.00 0.00 C ATOM 0 H ALA A 43 5.073 3.451 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 43 2.943 4.629 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.505 2.730 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.883 2.177 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.894 1.939 -2.452 1.00 0.00 H new ATOM 661 N THR A 44 1.734 5.255 -1.723 1.00 0.00 N ATOM 662 CA THR A 44 1.184 5.948 -0.598 1.00 0.00 C ATOM 663 C THR A 44 -0.241 5.421 -0.441 1.00 0.00 C ATOM 664 O THR A 44 -1.074 5.668 -1.317 1.00 0.00 O ATOM 665 CB THR A 44 1.221 7.445 -0.917 1.00 0.00 C ATOM 666 OG1 THR A 44 2.559 7.858 -1.134 1.00 0.00 O ATOM 667 CG2 THR A 44 0.641 8.240 0.242 1.00 0.00 C ATOM 0 H THR A 44 1.152 5.349 -2.555 1.00 0.00 H new ATOM 0 HA THR A 44 1.731 5.793 0.332 1.00 0.00 H new ATOM 0 HB THR A 44 0.629 7.624 -1.815 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.576 8.816 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.672 9.304 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.392 7.936 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.227 8.051 1.142 1.00 0.00 H new ATOM 675 N ILE A 45 -0.516 4.674 0.632 1.00 0.00 N ATOM 676 CA ILE A 45 -1.866 4.267 0.994 1.00 0.00 C ATOM 677 C ILE A 45 -2.373 5.213 2.084 1.00 0.00 C ATOM 678 O ILE A 45 -1.569 5.870 2.746 1.00 0.00 O ATOM 679 CB ILE A 45 -1.885 2.793 1.427 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.350 1.956 0.262 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.305 2.303 1.770 1.00 0.00 C ATOM 682 CD1 ILE A 45 -1.110 0.518 0.684 1.00 0.00 C ATOM 0 H ILE A 45 0.200 4.335 1.274 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.536 4.338 0.137 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.273 2.690 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.061 1.982 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.420 2.390 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.266 1.256 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.708 2.900 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.947 2.406 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.730 -0.052 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.380 0.493 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.047 0.078 1.026 1.00 0.00 H new ATOM 694 N VAL A 46 -3.690 5.274 2.286 1.00 0.00 N ATOM 695 CA VAL A 46 -4.304 5.827 3.480 1.00 0.00 C ATOM 696 C VAL A 46 -5.227 4.761 4.091 1.00 0.00 C ATOM 697 O VAL A 46 -6.095 4.239 3.387 1.00 0.00 O ATOM 698 CB VAL A 46 -4.907 7.205 3.196 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.069 7.115 2.247 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.314 7.953 4.467 1.00 0.00 C ATOM 0 H VAL A 46 -4.368 4.931 1.606 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.574 6.049 4.259 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.114 7.784 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.471 8.112 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.735 6.684 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.844 6.483 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.734 8.922 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.060 7.371 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.438 8.099 5.099 1.00 0.00 H new ATOM 710 N TYR A 47 -4.980 4.369 5.347 1.00 0.00 N ATOM 711 CA TYR A 47 -5.718 3.340 6.086 1.00 0.00 C ATOM 712 C TYR A 47 -5.532 3.584 7.587 1.00 0.00 C ATOM 713 O TYR A 47 -4.765 4.468 7.943 1.00 0.00 O ATOM 714 CB TYR A 47 -5.239 1.932 5.682 1.00 0.00 C ATOM 715 CG TYR A 47 -3.876 1.515 6.208 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.742 1.079 7.538 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.775 1.402 5.341 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.502 0.662 8.031 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.582 0.814 5.791 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.432 0.487 7.148 1.00 0.00 C ATOM 721 OH TYR A 47 -0.276 -0.045 7.620 1.00 0.00 O ATOM 0 H TYR A 47 -4.227 4.779 5.899 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.779 3.400 5.844 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.976 1.207 6.026 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.219 1.875 4.594 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.606 1.066 8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.847 1.768 4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.371 0.476 9.087 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.781 0.614 5.095 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.289 -1.017 7.497 1.00 0.00 H new ATOM 731 N GLN A 48 -6.166 2.821 8.489 1.00 0.00 N ATOM 732 CA GLN A 48 -5.858 2.865 9.913 1.00 0.00 C ATOM 733 C GLN A 48 -5.718 1.479 10.558 1.00 0.00 C ATOM 734 O GLN A 48 -6.388 0.541 10.119 1.00 0.00 O ATOM 735 CB GLN A 48 -6.904 3.693 10.641 1.00 0.00 C ATOM 736 CG GLN A 48 -8.279 3.639 9.991 1.00 0.00 C ATOM 737 CD GLN A 48 -9.333 4.403 10.789 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.079 4.880 11.896 1.00 0.00 O ATOM 739 NE2 GLN A 48 -10.526 4.557 10.227 1.00 0.00 N ATOM 0 H GLN A 48 -6.904 2.160 8.246 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.879 3.335 10.007 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.983 3.342 11.670 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.571 4.730 10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.218 4.054 8.985 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.589 2.599 9.889 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.713 4.153 9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.255 5.079 10.713 1.00 0.00 H new ATOM 748 N PRO A 49 -4.888 1.357 11.615 1.00 0.00 N ATOM 749 CA PRO A 49 -4.691 0.131 12.380 1.00 0.00 C ATOM 750 C PRO A 49 -5.950 -0.193 13.191 1.00 0.00 C ATOM 751 O PRO A 49 -5.982 -0.042 14.410 1.00 0.00 O ATOM 752 CB PRO A 49 -3.485 0.403 13.289 1.00 0.00 C ATOM 753 CG PRO A 49 -3.561 1.908 13.525 1.00 0.00 C ATOM 754 CD PRO A 49 -4.074 2.428 12.182 1.00 0.00 C ATOM 0 HA PRO A 49 -4.508 -0.733 11.741 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.550 -0.155 14.223 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.548 0.117 12.812 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.238 2.157 14.342 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.588 2.329 13.778 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.663 3.336 12.315 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.246 2.680 11.520 1.00 0.00 H new ATOM 762 N HIS A 50 -6.998 -0.629 12.497 1.00 0.00 N ATOM 763 CA HIS A 50 -8.257 -1.044 13.090 1.00 0.00 C ATOM 764 C HIS A 50 -8.805 -2.220 12.292 1.00 0.00 C ATOM 765 O HIS A 50 -9.020 -3.295 12.843 1.00 0.00 O ATOM 766 CB HIS A 50 -9.236 0.137 13.107 1.00 0.00 C ATOM 767 CG HIS A 50 -10.649 -0.254 13.467 1.00 0.00 C ATOM 768 ND1 HIS A 50 -11.026 -1.350 14.214 1.00 0.00 N ATOM 769 CD2 HIS A 50 -11.791 0.342 13.003 1.00 0.00 C ATOM 770 CE1 HIS A 50 -12.369 -1.402 14.203 1.00 0.00 C ATOM 771 NE2 HIS A 50 -12.880 -0.392 13.480 1.00 0.00 N ATOM 0 H HIS A 50 -6.990 -0.704 11.480 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.110 -1.362 14.122 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.881 0.882 13.819 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.238 0.611 12.125 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.841 1.222 12.380 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.958 -2.154 14.707 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.867 -0.199 13.312 1.00 0.00 H new ATOM 779 N LEU A 51 -9.054 -1.995 11.000 1.00 0.00 N ATOM 780 CA LEU A 51 -9.572 -3.018 10.108 1.00 0.00 C ATOM 781 C LEU A 51 -8.430 -3.819 9.486 1.00 0.00 C ATOM 782 O LEU A 51 -8.666 -4.936 9.034 1.00 0.00 O ATOM 783 CB LEU A 51 -10.440 -2.360 9.032 1.00 0.00 C ATOM 784 CG LEU A 51 -11.814 -1.927 9.567 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.425 -0.876 8.635 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.771 -3.121 9.677 1.00 0.00 C ATOM 0 H LEU A 51 -8.899 -1.094 10.548 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.187 -3.716 10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.919 -1.490 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.579 -3.057 8.205 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.669 -1.506 10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.399 -0.572 9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.768 -0.008 8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.544 -1.299 7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.734 -2.781 10.058 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.908 -3.569 8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.352 -3.862 10.358 1.00 0.00 H new ATOM 798 N ILE A 52 -7.209 -3.266 9.452 1.00 0.00 N ATOM 799 CA ILE A 52 -6.052 -3.940 8.910 1.00 0.00 C ATOM 800 C ILE A 52 -4.976 -4.070 9.978 1.00 0.00 C ATOM 801 O ILE A 52 -4.823 -3.184 10.818 1.00 0.00 O ATOM 802 CB ILE A 52 -5.589 -3.200 7.660 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.568 -4.020 6.876 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.996 -1.848 8.001 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.235 -5.243 6.258 1.00 0.00 C ATOM 0 H ILE A 52 -7.010 -2.330 9.806 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.299 -4.958 8.608 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.472 -3.048 7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.122 -3.406 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.759 -4.333 7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.677 -1.349 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.746 -1.238 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.137 -1.983 8.659 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.495 -5.819 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.659 -5.864 7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.028 -4.922 5.582 1.00 0.00 H new ATOM 817 N SER A 53 -4.182 -5.140 9.907 1.00 0.00 N ATOM 818 CA SER A 53 -3.163 -5.454 10.901 1.00 0.00 C ATOM 819 C SER A 53 -1.845 -4.714 10.681 1.00 0.00 C ATOM 820 O SER A 53 -0.786 -5.199 11.066 1.00 0.00 O ATOM 821 CB SER A 53 -2.953 -6.953 10.944 1.00 0.00 C ATOM 822 OG SER A 53 -4.186 -7.597 11.183 1.00 0.00 O ATOM 0 H SER A 53 -4.232 -5.819 9.147 1.00 0.00 H new ATOM 0 HA SER A 53 -3.529 -5.103 11.866 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.528 -7.298 10.002 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.240 -7.208 11.728 1.00 0.00 H new ATOM 0 HG SER A 53 -4.462 -8.084 10.378 1.00 0.00 H new ATOM 828 N VAL A 54 -1.927 -3.551 10.040 1.00 0.00 N ATOM 829 CA VAL A 54 -0.872 -2.606 9.729 1.00 0.00 C ATOM 830 C VAL A 54 0.036 -3.174 8.639 1.00 0.00 C ATOM 831 O VAL A 54 0.104 -2.656 7.524 1.00 0.00 O ATOM 832 CB VAL A 54 -0.216 -2.073 11.024 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.253 -2.451 11.190 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.351 -0.548 11.071 1.00 0.00 C ATOM 0 H VAL A 54 -2.827 -3.219 9.693 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.262 -1.695 9.275 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.748 -2.549 11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.632 -2.036 12.124 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.349 -3.537 11.209 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.828 -2.051 10.355 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.111 -0.170 11.983 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.146 -0.112 10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.406 -0.276 11.059 1.00 0.00 H new ATOM 844 N GLU A 55 0.658 -4.299 8.948 1.00 0.00 N ATOM 845 CA GLU A 55 1.548 -5.009 8.064 1.00 0.00 C ATOM 846 C GLU A 55 0.733 -5.623 6.934 1.00 0.00 C ATOM 847 O GLU A 55 1.149 -5.568 5.774 1.00 0.00 O ATOM 848 CB GLU A 55 2.304 -6.072 8.868 1.00 0.00 C ATOM 849 CG GLU A 55 3.799 -6.070 8.541 1.00 0.00 C ATOM 850 CD GLU A 55 4.559 -4.980 9.290 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.190 -3.799 9.115 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.502 -5.355 10.018 1.00 0.00 O ATOM 0 H GLU A 55 0.549 -4.754 9.855 1.00 0.00 H new ATOM 0 HA GLU A 55 2.283 -4.335 7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.164 -5.890 9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.886 -7.056 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.224 -7.042 8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.933 -5.930 7.468 1.00 0.00 H new ATOM 859 N GLU A 56 -0.424 -6.213 7.281 1.00 0.00 N ATOM 860 CA GLU A 56 -1.233 -6.967 6.336 1.00 0.00 C ATOM 861 C GLU A 56 -1.364 -6.231 5.011 1.00 0.00 C ATOM 862 O GLU A 56 -1.090 -6.806 3.963 1.00 0.00 O ATOM 863 CB GLU A 56 -2.625 -7.229 6.903 1.00 0.00 C ATOM 864 CG GLU A 56 -2.774 -8.636 7.470 1.00 0.00 C ATOM 865 CD GLU A 56 -4.222 -8.886 7.850 1.00 0.00 C ATOM 866 OE1 GLU A 56 -5.064 -8.789 6.930 1.00 0.00 O ATOM 867 OE2 GLU A 56 -4.457 -9.108 9.056 1.00 0.00 O ATOM 0 H GLU A 56 -0.814 -6.175 8.223 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.727 -7.917 6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.836 -6.502 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.367 -7.077 6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.450 -9.371 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.133 -8.756 8.344 1.00 0.00 H new ATOM 874 N MET A 57 -1.767 -4.958 5.066 1.00 0.00 N ATOM 875 CA MET A 57 -1.919 -4.127 3.899 1.00 0.00 C ATOM 876 C MET A 57 -0.760 -4.297 2.922 1.00 0.00 C ATOM 877 O MET A 57 -0.964 -4.603 1.751 1.00 0.00 O ATOM 878 CB MET A 57 -2.090 -2.675 4.356 1.00 0.00 C ATOM 879 CG MET A 57 -3.391 -2.115 3.797 1.00 0.00 C ATOM 880 SD MET A 57 -3.532 -2.140 1.997 1.00 0.00 S ATOM 881 CE MET A 57 -4.885 -3.334 1.858 1.00 0.00 C ATOM 0 H MET A 57 -1.996 -4.483 5.939 1.00 0.00 H new ATOM 0 HA MET A 57 -2.808 -4.433 3.347 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.098 -2.624 5.445 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.247 -2.074 4.015 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.222 -2.682 4.218 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.501 -1.086 4.139 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.563 -4.180 1.251 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.164 -3.685 2.852 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.744 -2.857 1.387 1.00 0.00 H new ATOM 891 N LYS A 58 0.470 -4.150 3.411 1.00 0.00 N ATOM 892 CA LYS A 58 1.637 -4.326 2.574 1.00 0.00 C ATOM 893 C LYS A 58 1.773 -5.780 2.151 1.00 0.00 C ATOM 894 O LYS A 58 2.051 -6.068 0.988 1.00 0.00 O ATOM 895 CB LYS A 58 2.882 -3.865 3.336 1.00 0.00 C ATOM 896 CG LYS A 58 4.197 -4.073 2.568 1.00 0.00 C ATOM 897 CD LYS A 58 4.418 -3.022 1.478 1.00 0.00 C ATOM 898 CE LYS A 58 3.844 -3.388 0.109 1.00 0.00 C ATOM 899 NZ LYS A 58 4.248 -2.418 -0.923 1.00 0.00 N ATOM 0 H LYS A 58 0.676 -3.910 4.381 1.00 0.00 H new ATOM 0 HA LYS A 58 1.528 -3.723 1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.777 -2.807 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.937 -4.403 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.031 -4.044 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.196 -5.065 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.973 -2.082 1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.489 -2.848 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.183 -4.384 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.756 -3.426 0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.242 -2.880 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.582 -1.619 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.205 -2.069 -0.716 1.00 0.00 H new ATOM 913 N LYS A 59 1.626 -6.701 3.099 1.00 0.00 N ATOM 914 CA LYS A 59 1.839 -8.108 2.823 1.00 0.00 C ATOM 915 C LYS A 59 0.899 -8.629 1.730 1.00 0.00 C ATOM 916 O LYS A 59 1.284 -9.511 0.966 1.00 0.00 O ATOM 917 CB LYS A 59 1.794 -8.918 4.124 1.00 0.00 C ATOM 918 CG LYS A 59 2.840 -8.456 5.159 1.00 0.00 C ATOM 919 CD LYS A 59 4.204 -8.198 4.500 1.00 0.00 C ATOM 920 CE LYS A 59 5.384 -8.152 5.476 1.00 0.00 C ATOM 921 NZ LYS A 59 6.645 -8.052 4.716 1.00 0.00 N ATOM 0 H LYS A 59 1.361 -6.493 4.062 1.00 0.00 H new ATOM 0 HA LYS A 59 2.839 -8.238 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.799 -8.838 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.958 -9.971 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.493 -7.546 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.946 -9.214 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.390 -8.978 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.159 -7.252 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.282 -7.299 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.391 -9.047 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.451 -8.106 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.701 -8.834 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.673 -7.145 4.207 1.00 0.00 H new ATOM 935 N GLN A 60 -0.292 -8.042 1.588 1.00 0.00 N ATOM 936 CA GLN A 60 -1.213 -8.361 0.510 1.00 0.00 C ATOM 937 C GLN A 60 -0.549 -8.035 -0.823 1.00 0.00 C ATOM 938 O GLN A 60 -0.571 -8.830 -1.757 1.00 0.00 O ATOM 939 CB GLN A 60 -2.503 -7.559 0.685 1.00 0.00 C ATOM 940 CG GLN A 60 -3.142 -7.775 2.067 1.00 0.00 C ATOM 941 CD GLN A 60 -4.479 -8.513 2.075 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.976 -8.960 1.046 1.00 0.00 O ATOM 943 NE2 GLN A 60 -5.083 -8.658 3.253 1.00 0.00 N ATOM 0 H GLN A 60 -0.641 -7.327 2.226 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.463 -9.422 0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.291 -6.499 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.214 -7.845 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.439 -8.330 2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.283 -6.802 2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.653 -8.279 4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.976 -9.148 3.312 1.00 0.00 H new ATOM 952 N ILE A 61 0.065 -6.855 -0.891 1.00 0.00 N ATOM 953 CA ILE A 61 0.856 -6.455 -2.049 1.00 0.00 C ATOM 954 C ILE A 61 2.046 -7.392 -2.260 1.00 0.00 C ATOM 955 O ILE A 61 2.245 -7.842 -3.387 1.00 0.00 O ATOM 956 CB ILE A 61 1.252 -4.972 -2.007 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.063 -4.050 -2.340 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.363 -4.657 -3.020 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.658 -3.586 -1.081 1.00 0.00 C ATOM 0 H ILE A 61 0.028 -6.155 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 61 0.221 -6.556 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 61 1.597 -4.789 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.419 -3.183 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.637 -4.578 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.618 -3.599 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.245 -5.256 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.016 -4.893 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.490 -2.938 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.037 -4.452 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.036 -3.035 -0.446 1.00 0.00 H new ATOM 971 N GLU A 62 2.832 -7.698 -1.220 1.00 0.00 N ATOM 972 CA GLU A 62 3.978 -8.601 -1.356 1.00 0.00 C ATOM 973 C GLU A 62 3.496 -9.887 -2.041 1.00 0.00 C ATOM 974 O GLU A 62 4.022 -10.311 -3.075 1.00 0.00 O ATOM 975 CB GLU A 62 4.631 -8.879 0.010 1.00 0.00 C ATOM 976 CG GLU A 62 5.282 -7.594 0.547 1.00 0.00 C ATOM 977 CD GLU A 62 5.989 -7.741 1.884 1.00 0.00 C ATOM 978 OE1 GLU A 62 6.309 -8.879 2.293 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.173 -6.703 2.563 1.00 0.00 O ATOM 0 H GLU A 62 2.694 -7.333 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 62 4.751 -8.138 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.882 -9.240 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.381 -9.664 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.001 -7.234 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.513 -6.828 0.642 1.00 0.00 H new ATOM 986 N ALA A 63 2.415 -10.437 -1.479 1.00 0.00 N ATOM 987 CA ALA A 63 1.740 -11.647 -1.909 1.00 0.00 C ATOM 988 C ALA A 63 1.201 -11.604 -3.344 1.00 0.00 C ATOM 989 O ALA A 63 0.967 -12.667 -3.914 1.00 0.00 O ATOM 990 CB ALA A 63 0.614 -11.957 -0.921 1.00 0.00 C ATOM 0 H ALA A 63 1.968 -10.018 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 63 2.488 -12.440 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.097 -12.865 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.033 -12.101 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.092 -11.126 -0.901 1.00 0.00 H new ATOM 996 N MET A 64 1.013 -10.426 -3.957 1.00 0.00 N ATOM 997 CA MET A 64 0.701 -10.359 -5.386 1.00 0.00 C ATOM 998 C MET A 64 1.810 -11.049 -6.187 1.00 0.00 C ATOM 999 O MET A 64 1.544 -11.630 -7.236 1.00 0.00 O ATOM 1000 CB MET A 64 0.551 -8.909 -5.863 1.00 0.00 C ATOM 1001 CG MET A 64 -0.587 -8.149 -5.177 1.00 0.00 C ATOM 1002 SD MET A 64 -2.276 -8.607 -5.635 1.00 0.00 S ATOM 1003 CE MET A 64 -3.177 -7.487 -4.540 1.00 0.00 C ATOM 0 H MET A 64 1.071 -9.521 -3.491 1.00 0.00 H new ATOM 0 HA MET A 64 -0.249 -10.868 -5.547 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.487 -8.379 -5.687 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.381 -8.906 -6.940 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.481 -8.280 -4.100 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.457 -7.087 -5.383 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.249 -7.625 -4.681 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.916 -7.703 -3.504 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.910 -6.456 -4.774 1.00 0.00 H new ATOM 1013 N GLY A 65 3.044 -10.975 -5.678 1.00 0.00 N ATOM 1014 CA GLY A 65 4.200 -11.677 -6.216 1.00 0.00 C ATOM 1015 C GLY A 65 5.323 -10.701 -6.543 1.00 0.00 C ATOM 1016 O GLY A 65 5.958 -10.825 -7.586 1.00 0.00 O ATOM 0 H GLY A 65 3.266 -10.409 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.552 -12.414 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.913 -12.223 -7.115 1.00 0.00 H new ATOM 1020 N PHE A 66 5.575 -9.741 -5.646 1.00 0.00 N ATOM 1021 CA PHE A 66 6.582 -8.704 -5.841 1.00 0.00 C ATOM 1022 C PHE A 66 7.207 -8.386 -4.482 1.00 0.00 C ATOM 1023 O PHE A 66 6.463 -8.033 -3.572 1.00 0.00 O ATOM 1024 CB PHE A 66 5.922 -7.457 -6.453 1.00 0.00 C ATOM 1025 CG PHE A 66 5.531 -7.598 -7.917 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.504 -7.942 -8.875 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.193 -7.425 -8.324 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.151 -8.095 -10.225 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.838 -7.588 -9.676 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.820 -7.909 -10.630 1.00 0.00 C ATOM 0 H PHE A 66 5.079 -9.666 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 66 7.361 -9.041 -6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.031 -7.214 -5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.606 -6.615 -6.353 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.529 -8.089 -8.569 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.438 -7.167 -7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.905 -8.356 -10.953 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.809 -7.466 -9.981 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.551 -8.012 -11.671 1.00 0.00 H new ATOM 1040 N PRO A 67 8.531 -8.529 -4.298 1.00 0.00 N ATOM 1041 CA PRO A 67 9.168 -8.335 -3.005 1.00 0.00 C ATOM 1042 C PRO A 67 9.155 -6.852 -2.641 1.00 0.00 C ATOM 1043 O PRO A 67 10.033 -6.094 -3.049 1.00 0.00 O ATOM 1044 CB PRO A 67 10.584 -8.891 -3.161 1.00 0.00 C ATOM 1045 CG PRO A 67 10.880 -8.691 -4.647 1.00 0.00 C ATOM 1046 CD PRO A 67 9.514 -8.895 -5.305 1.00 0.00 C ATOM 0 HA PRO A 67 8.651 -8.846 -2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.297 -8.356 -2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.636 -9.942 -2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.280 -7.697 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.614 -9.409 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.412 -8.274 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.383 -9.930 -5.622 1.00 0.00 H new ATOM 1054 N ALA A 68 8.141 -6.440 -1.883 1.00 0.00 N ATOM 1055 CA ALA A 68 7.869 -5.058 -1.567 1.00 0.00 C ATOM 1056 C ALA A 68 8.243 -4.808 -0.104 1.00 0.00 C ATOM 1057 O ALA A 68 8.845 -5.674 0.526 1.00 0.00 O ATOM 1058 CB ALA A 68 6.395 -4.837 -1.892 1.00 0.00 C ATOM 0 H ALA A 68 7.472 -7.086 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 68 8.456 -4.343 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.125 -3.804 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.221 -5.042 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.785 -5.507 -1.287 1.00 0.00 H new ATOM 1064 N PHE A 69 7.928 -3.628 0.443 1.00 0.00 N ATOM 1065 CA PHE A 69 8.346 -3.294 1.798 1.00 0.00 C ATOM 1066 C PHE A 69 7.618 -2.075 2.345 1.00 0.00 C ATOM 1067 O PHE A 69 7.509 -1.059 1.664 1.00 0.00 O ATOM 1068 CB PHE A 69 9.867 -3.059 1.872 1.00 0.00 C ATOM 1069 CG PHE A 69 10.634 -4.088 2.676 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.359 -4.258 4.046 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.672 -4.823 2.075 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.098 -5.183 4.804 1.00 0.00 C ATOM 1073 CE2 PHE A 69 12.432 -5.724 2.841 1.00 0.00 C ATOM 1074 CZ PHE A 69 12.140 -5.910 4.203 1.00 0.00 C ATOM 0 H PHE A 69 7.392 -2.900 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 69 8.083 -4.152 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.267 -3.040 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.047 -2.074 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.579 -3.677 4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.885 -4.695 1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.865 -5.335 5.848 1.00 0.00 H new ATOM 0 HE2 PHE A 69 13.241 -6.274 2.383 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.716 -6.612 4.788 1.00 0.00 H new ATOM 1084 N VAL A 70 7.108 -2.184 3.572 1.00 0.00 N ATOM 1085 CA VAL A 70 6.479 -1.077 4.273 1.00 0.00 C ATOM 1086 C VAL A 70 7.541 -0.209 4.948 1.00 0.00 C ATOM 1087 O VAL A 70 8.532 -0.728 5.461 1.00 0.00 O ATOM 1088 CB VAL A 70 5.374 -1.570 5.207 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.965 -2.361 6.353 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.528 -0.419 5.752 1.00 0.00 C ATOM 0 H VAL A 70 7.123 -3.052 4.107 1.00 0.00 H new ATOM 0 HA VAL A 70 5.972 -0.429 3.558 1.00 0.00 H new ATOM 0 HB VAL A 70 4.720 -2.215 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.165 -2.705 7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.507 -3.221 5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.650 -1.728 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.755 -0.815 6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.164 0.267 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.060 0.113 4.923 1.00 0.00 H new ATOM 1100 N LYS A 71 7.345 1.109 4.910 1.00 0.00 N ATOM 1101 CA LYS A 71 8.106 2.057 5.722 1.00 0.00 C ATOM 1102 C LYS A 71 7.357 2.360 7.034 1.00 0.00 C ATOM 1103 O LYS A 71 7.104 1.440 7.805 1.00 0.00 O ATOM 1104 CB LYS A 71 8.508 3.290 4.902 1.00 0.00 C ATOM 1105 CG LYS A 71 9.225 2.845 3.617 1.00 0.00 C ATOM 1106 CD LYS A 71 10.167 3.917 3.054 1.00 0.00 C ATOM 1107 CE LYS A 71 11.619 3.779 3.546 1.00 0.00 C ATOM 1108 NZ LYS A 71 11.757 3.961 5.004 1.00 0.00 N ATOM 0 H LYS A 71 6.649 1.551 4.310 1.00 0.00 H new ATOM 0 HA LYS A 71 9.053 1.610 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.624 3.877 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.162 3.933 5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.795 1.939 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.481 2.590 2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.154 3.865 1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.790 4.902 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.997 2.794 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.241 4.513 3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.760 3.890 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.393 4.897 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.215 3.224 5.499 1.00 0.00 H new ATOM 1122 N LYS A 72 7.028 3.628 7.323 1.00 0.00 N ATOM 1123 CA LYS A 72 6.334 3.989 8.558 1.00 0.00 C ATOM 1124 C LYS A 72 4.832 3.701 8.462 1.00 0.00 C ATOM 1125 O LYS A 72 4.284 3.552 7.370 1.00 0.00 O ATOM 1126 CB LYS A 72 6.570 5.464 8.928 1.00 0.00 C ATOM 1127 CG LYS A 72 7.833 5.665 9.782 1.00 0.00 C ATOM 1128 CD LYS A 72 7.721 6.898 10.700 1.00 0.00 C ATOM 1129 CE LYS A 72 6.768 6.645 11.888 1.00 0.00 C ATOM 1130 NZ LYS A 72 6.674 7.793 12.811 1.00 0.00 N ATOM 0 H LYS A 72 7.234 4.419 6.713 1.00 0.00 H new ATOM 0 HA LYS A 72 6.752 3.367 9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.655 6.054 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.704 5.841 9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.005 4.776 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.698 5.777 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.709 7.161 11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.363 7.750 10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.774 6.412 11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.110 5.770 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.795 7.724 13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.489 7.786 13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.672 8.678 12.265 1.00 0.00 H new ATOM 1144 N ILE A 73 4.189 3.658 9.636 1.00 0.00 N ATOM 1145 CA ILE A 73 2.795 3.277 9.825 1.00 0.00 C ATOM 1146 C ILE A 73 2.063 4.303 10.682 1.00 0.00 C ATOM 1147 O ILE A 73 1.420 3.954 11.668 1.00 0.00 O ATOM 1148 CB ILE A 73 2.712 1.854 10.421 1.00 0.00 C ATOM 1149 CG1 ILE A 73 3.973 1.468 11.201 1.00 0.00 C ATOM 1150 CG2 ILE A 73 2.460 0.924 9.252 1.00 0.00 C ATOM 1151 CD1 ILE A 73 3.830 0.156 11.978 1.00 0.00 C ATOM 0 H ILE A 73 4.651 3.899 10.513 1.00 0.00 H new ATOM 0 HA ILE A 73 2.295 3.261 8.857 1.00 0.00 H new ATOM 0 HB ILE A 73 1.908 1.792 11.155 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.808 1.381 10.506 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.220 2.269 11.898 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.391 -0.103 9.612 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.526 1.200 8.762 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.281 1.004 8.540 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.759 -0.057 12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.016 0.246 12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.613 -0.656 11.284 1.00 0.00 H new ATOM 1163 N GLU A 74 2.110 5.568 10.265 1.00 0.00 N ATOM 1164 CA GLU A 74 1.366 6.642 10.894 1.00 0.00 C ATOM 1165 C GLU A 74 1.209 7.768 9.865 1.00 0.00 C ATOM 1166 O GLU A 74 1.947 7.789 8.879 1.00 0.00 O ATOM 1167 CB GLU A 74 2.199 7.226 12.057 1.00 0.00 C ATOM 1168 CG GLU A 74 2.193 6.478 13.397 1.00 0.00 C ATOM 1169 CD GLU A 74 3.251 7.023 14.350 1.00 0.00 C ATOM 1170 OE1 GLU A 74 4.365 7.319 13.860 1.00 0.00 O ATOM 1171 OE2 GLU A 74 2.951 7.127 15.555 1.00 0.00 O ATOM 0 H GLU A 74 2.674 5.872 9.471 1.00 0.00 H new ATOM 0 HA GLU A 74 0.407 6.267 11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.233 7.301 11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.849 8.242 12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.209 6.564 13.858 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.372 5.417 13.223 1.00 0.00 H new ATOM 1178 N GLY A 75 0.336 8.745 10.148 1.00 0.00 N ATOM 1179 CA GLY A 75 0.087 9.897 9.289 1.00 0.00 C ATOM 1180 C GLY A 75 0.098 11.210 10.071 1.00 0.00 C ATOM 1181 O GLY A 75 1.112 11.904 10.102 1.00 0.00 O ATOM 0 H GLY A 75 -0.225 8.751 11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.844 9.935 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.877 9.778 8.794 1.00 0.00 H new ATOM 1185 N ARG A 76 -1.044 11.566 10.662 1.00 0.00 N ATOM 1186 CA ARG A 76 -1.274 12.745 11.478 1.00 0.00 C ATOM 1187 C ARG A 76 -2.355 12.336 12.476 1.00 0.00 C ATOM 1188 O ARG A 76 -2.602 13.127 13.411 1.00 0.00 O ATOM 1189 CB ARG A 76 -1.795 13.914 10.630 1.00 0.00 C ATOM 1190 CG ARG A 76 -0.748 14.481 9.664 1.00 0.00 C ATOM 1191 CD ARG A 76 -1.288 15.721 8.939 1.00 0.00 C ATOM 1192 NE ARG A 76 -1.546 16.825 9.881 1.00 0.00 N ATOM 1193 CZ ARG A 76 -2.165 17.976 9.575 1.00 0.00 C ATOM 1194 NH1 ARG A 76 -2.594 18.191 8.327 1.00 0.00 N ATOM 1195 NH2 ARG A 76 -2.349 18.908 10.518 1.00 0.00 N ATOM 1196 OXT ARG A 76 -2.930 11.245 12.249 1.00 0.00 O ATOM 0 H ARG A 76 -1.885 10.996 10.573 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.352 13.075 11.956 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.662 13.581 10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.136 14.710 11.292 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.157 14.741 10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.470 13.720 8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.571 16.044 8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.209 15.466 8.415 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.229 16.705 10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.451 17.481 7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.065 19.065 8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.019 18.743 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.819 19.783 10.286 1.00 0.00 H new TER 1210 ARG A 76