USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 180:sc= 0.559 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0975 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 167:sc= 1.2 (180deg=-0.0337) USER MOD Set 2.2: A 12 THR OG1 : rot 140:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.577 (180deg=-1.75!) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.31 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.12) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.17) USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.816 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00248 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.47 (180deg=1.47) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0342 (180deg=-0.357) USER MOD Single : A 31 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.39) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.14) USER MOD Single : A 40 GLN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.265 K(o=-0.27,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -61:sc= 0.716 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.684 USER MOD Single : A 60 ASN : amide:sc= -0.0057 X(o=-0.0057,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 138:sc= 0.938 (180deg=0.687) USER MOD Single : A 65 SER OG : rot -126:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.703 -4.714 -4.010 1.00 0.78 N ATOM 2 CA MET A 1 12.551 -5.009 -2.568 1.00 0.70 C ATOM 3 C MET A 1 11.161 -5.487 -2.331 1.00 0.62 C ATOM 4 O MET A 1 10.252 -5.033 -3.024 1.00 0.68 O ATOM 5 CB MET A 1 12.891 -3.827 -1.644 1.00 0.75 C ATOM 6 CG MET A 1 11.803 -2.754 -1.572 1.00 0.79 C ATOM 7 SD MET A 1 12.194 -1.445 -0.372 1.00 1.10 S ATOM 8 CE MET A 1 10.428 -1.027 -0.445 1.00 0.84 C ATOM 0 H1 MET A 1 13.471 -4.026 -4.144 1.00 0.78 H new ATOM 0 H2 MET A 1 12.930 -5.591 -4.522 1.00 0.78 H new ATOM 0 H3 MET A 1 11.815 -4.318 -4.379 1.00 0.78 H new ATOM 0 HA MET A 1 13.278 -5.780 -2.312 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.077 -4.207 -0.640 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.817 -3.367 -1.987 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.669 -2.310 -2.558 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.855 -3.220 -1.301 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.153 -0.454 0.440 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.231 -0.433 -1.337 1.00 0.84 H new ATOM 0 HE3 MET A 1 9.838 -1.943 -0.482 1.00 0.84 H new ATOM 20 N GLN A 2 10.908 -6.453 -1.429 1.00 0.59 N ATOM 21 CA GLN A 2 9.662 -7.117 -1.206 1.00 0.56 C ATOM 22 C GLN A 2 8.956 -6.607 0.004 1.00 0.50 C ATOM 23 O GLN A 2 9.543 -6.590 1.085 1.00 0.60 O ATOM 24 CB GLN A 2 9.848 -8.636 -1.053 1.00 0.71 C ATOM 25 CG GLN A 2 8.554 -9.451 -1.043 1.00 1.15 C ATOM 26 CD GLN A 2 8.889 -10.695 -0.231 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.931 -11.789 -0.791 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.183 -10.523 1.086 1.00 1.72 N ATOM 0 H GLN A 2 11.638 -6.796 -0.805 1.00 0.59 H new ATOM 0 HA GLN A 2 9.056 -6.906 -2.087 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.478 -8.993 -1.868 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.387 -8.829 -0.126 1.00 0.71 H new ATOM 0 HG2 GLN A 2 7.736 -8.891 -0.590 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.241 -9.710 -2.054 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.133 -9.593 1.503 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.454 -11.324 1.657 1.00 1.72 H new ATOM 37 N ILE A 3 7.655 -6.290 -0.114 1.00 0.44 N ATOM 38 CA ILE A 3 6.894 -5.862 1.020 1.00 0.42 C ATOM 39 C ILE A 3 5.561 -6.520 0.912 1.00 0.40 C ATOM 40 O ILE A 3 5.098 -7.037 -0.103 1.00 0.50 O ATOM 41 CB ILE A 3 6.742 -4.371 1.066 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.872 -3.905 -0.114 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.125 -3.702 1.037 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.718 -2.385 -0.095 1.00 0.72 C ATOM 0 H ILE A 3 7.131 -6.329 -0.988 1.00 0.44 H new ATOM 0 HA ILE A 3 7.406 -6.142 1.941 1.00 0.42 H new ATOM 0 HB ILE A 3 6.247 -4.080 1.993 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.325 -4.219 -1.054 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.891 -4.377 -0.059 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.006 -2.619 1.071 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.706 -4.030 1.899 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.645 -3.982 0.121 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.100 -2.071 -0.936 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.244 -2.079 0.838 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.700 -1.919 -0.173 1.00 0.72 H new ATOM 56 N PHE A 4 4.886 -6.644 2.069 1.00 0.37 N ATOM 57 CA PHE A 4 3.622 -7.310 2.142 1.00 0.38 C ATOM 58 C PHE A 4 2.489 -6.372 2.378 1.00 0.39 C ATOM 59 O PHE A 4 2.465 -5.736 3.431 1.00 0.60 O ATOM 60 CB PHE A 4 3.642 -8.293 3.325 1.00 0.45 C ATOM 61 CG PHE A 4 4.697 -9.343 3.242 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.430 -10.397 2.401 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.824 -9.354 4.031 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.292 -11.469 2.392 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.704 -10.406 3.929 1.00 1.40 C ATOM 66 CZ PHE A 4 6.451 -11.497 3.133 1.00 0.85 C ATOM 0 H PHE A 4 5.219 -6.279 2.961 1.00 0.37 H new ATOM 0 HA PHE A 4 3.473 -7.809 1.184 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.781 -7.729 4.247 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.669 -8.779 3.393 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.561 -10.384 1.760 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.015 -8.546 4.722 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.049 -12.324 1.778 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.624 -10.373 4.493 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.129 -12.336 3.091 1.00 0.85 H new ATOM 76 N VAL A 5 1.429 -6.236 1.562 1.00 0.35 N ATOM 77 CA VAL A 5 0.311 -5.400 1.872 1.00 0.35 C ATOM 78 C VAL A 5 -0.741 -6.274 2.464 1.00 0.35 C ATOM 79 O VAL A 5 -1.401 -7.049 1.773 1.00 0.46 O ATOM 80 CB VAL A 5 -0.130 -4.590 0.689 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.406 -3.761 0.911 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.972 -3.636 0.198 1.00 0.56 C ATOM 0 H VAL A 5 1.347 -6.718 0.667 1.00 0.35 H new ATOM 0 HA VAL A 5 0.574 -4.638 2.606 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.351 -5.348 -0.062 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.645 -3.210 0.001 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.233 -4.426 1.161 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.246 -3.058 1.729 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.608 -3.070 -0.660 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.241 -2.948 0.999 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.849 -4.213 -0.094 1.00 0.56 H new ATOM 92 N LYS A 6 -0.913 -6.231 3.797 1.00 0.36 N ATOM 93 CA LYS A 6 -2.055 -6.844 4.400 1.00 0.39 C ATOM 94 C LYS A 6 -3.369 -6.150 4.305 1.00 0.46 C ATOM 95 O LYS A 6 -3.513 -4.942 4.492 1.00 0.53 O ATOM 96 CB LYS A 6 -1.891 -7.017 5.919 1.00 0.54 C ATOM 97 CG LYS A 6 -1.101 -8.304 6.163 1.00 1.22 C ATOM 98 CD LYS A 6 -0.971 -8.727 7.628 1.00 1.37 C ATOM 99 CE LYS A 6 -0.762 -10.241 7.690 1.00 1.93 C ATOM 100 NZ LYS A 6 0.337 -10.801 6.872 1.00 2.09 N ATOM 0 H LYS A 6 -0.272 -5.779 4.449 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.082 -7.761 3.811 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.368 -6.161 6.346 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.866 -7.070 6.404 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.578 -9.113 5.610 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.101 -8.180 5.748 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.133 -8.211 8.096 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.867 -8.447 8.182 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.585 -10.516 8.730 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.691 -10.724 7.386 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.519 -11.783 7.161 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.068 -10.780 5.868 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.197 -10.234 7.011 1.00 2.09 H new ATOM 114 N THR A 7 -4.486 -6.840 4.011 1.00 0.58 N ATOM 115 CA THR A 7 -5.818 -6.325 3.932 1.00 0.78 C ATOM 116 C THR A 7 -6.420 -6.269 5.293 1.00 0.94 C ATOM 117 O THR A 7 -5.958 -6.944 6.213 1.00 0.99 O ATOM 118 CB THR A 7 -6.683 -7.118 2.997 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.852 -8.451 3.458 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.104 -7.191 1.574 1.00 0.92 C ATOM 0 H THR A 7 -4.453 -7.840 3.813 1.00 0.58 H new ATOM 0 HA THR A 7 -5.759 -5.317 3.522 1.00 0.78 H new ATOM 0 HB THR A 7 -7.638 -6.594 2.971 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.421 -8.944 2.831 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.770 -7.776 0.940 1.00 0.92 H new ATOM 0 HG22 THR A 7 -6.008 -6.184 1.168 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.123 -7.665 1.604 1.00 0.92 H new ATOM 128 N LEU A 8 -7.588 -5.633 5.490 1.00 1.17 N ATOM 129 CA LEU A 8 -8.377 -5.660 6.683 1.00 1.39 C ATOM 130 C LEU A 8 -8.866 -7.005 7.097 1.00 1.44 C ATOM 131 O LEU A 8 -8.802 -7.332 8.281 1.00 1.60 O ATOM 132 CB LEU A 8 -9.548 -4.703 6.404 1.00 1.66 C ATOM 133 CG LEU A 8 -9.209 -3.226 6.669 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.270 -2.269 6.097 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.972 -2.811 8.130 1.00 2.43 C ATOM 0 H LEU A 8 -8.011 -5.058 4.762 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.759 -5.360 7.529 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.859 -4.816 5.366 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.397 -4.990 7.024 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.252 -3.139 6.154 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.984 -1.239 6.311 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.343 -2.409 5.018 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.236 -2.480 6.556 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.743 -1.746 8.173 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.869 -3.013 8.716 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.136 -3.379 8.539 1.00 2.43 H new ATOM 147 N THR A 9 -9.321 -7.748 6.073 1.00 1.41 N ATOM 148 CA THR A 9 -9.917 -9.048 6.113 1.00 1.51 C ATOM 149 C THR A 9 -8.987 -10.190 6.338 1.00 1.37 C ATOM 150 O THR A 9 -9.225 -11.086 7.147 1.00 1.62 O ATOM 151 CB THR A 9 -10.690 -9.290 4.851 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.125 -8.735 3.671 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.009 -8.513 4.997 1.00 2.08 C ATOM 0 H THR A 9 -9.264 -7.399 5.116 1.00 1.41 H new ATOM 0 HA THR A 9 -10.560 -9.024 6.993 1.00 1.51 H new ATOM 0 HB THR A 9 -10.747 -10.373 4.742 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.697 -8.946 2.904 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.615 -8.654 4.102 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.554 -8.881 5.866 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.794 -7.452 5.126 1.00 2.08 H new ATOM 161 N GLY A 10 -7.898 -10.291 5.556 1.00 1.18 N ATOM 162 CA GLY A 10 -7.018 -11.406 5.726 1.00 1.22 C ATOM 163 C GLY A 10 -5.968 -11.520 4.675 1.00 0.99 C ATOM 164 O GLY A 10 -4.872 -11.882 5.101 1.00 1.31 O ATOM 0 H GLY A 10 -7.632 -9.626 4.830 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.535 -11.328 6.700 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.608 -12.322 5.735 1.00 1.22 H new ATOM 168 N LYS A 11 -6.234 -11.370 3.365 1.00 0.73 N ATOM 169 CA LYS A 11 -5.220 -11.537 2.370 1.00 0.60 C ATOM 170 C LYS A 11 -3.958 -10.756 2.499 1.00 0.51 C ATOM 171 O LYS A 11 -3.959 -9.531 2.609 1.00 0.63 O ATOM 172 CB LYS A 11 -5.823 -11.349 0.968 1.00 0.75 C ATOM 173 CG LYS A 11 -4.858 -11.419 -0.217 1.00 0.87 C ATOM 174 CD LYS A 11 -5.601 -11.528 -1.550 1.00 1.04 C ATOM 175 CE LYS A 11 -6.249 -10.280 -2.151 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.867 -10.562 -3.466 1.00 1.40 N ATOM 0 H LYS A 11 -7.154 -11.132 2.994 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.880 -12.558 2.543 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.591 -12.109 0.825 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.323 -10.381 0.941 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.227 -10.530 -0.224 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.198 -12.278 -0.098 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.898 -11.918 -2.286 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.384 -12.277 -1.428 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -7.007 -9.899 -1.467 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.498 -9.498 -2.262 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -7.145 -9.668 -3.918 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.183 -11.058 -4.072 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -7.708 -11.159 -3.333 1.00 1.40 H new ATOM 190 N THR A 12 -2.832 -11.453 2.262 1.00 0.49 N ATOM 191 CA THR A 12 -1.505 -10.921 2.291 1.00 0.48 C ATOM 192 C THR A 12 -1.015 -10.841 0.886 1.00 0.52 C ATOM 193 O THR A 12 -0.458 -11.769 0.302 1.00 0.72 O ATOM 194 CB THR A 12 -0.460 -11.533 3.176 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.872 -11.517 4.535 1.00 0.77 O ATOM 196 CG2 THR A 12 0.801 -10.656 3.087 1.00 0.78 C ATOM 0 H THR A 12 -2.850 -12.448 2.037 1.00 0.49 H new ATOM 0 HA THR A 12 -1.634 -9.958 2.786 1.00 0.48 H new ATOM 0 HB THR A 12 -0.286 -12.560 2.855 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.614 -12.359 4.965 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.582 -11.076 3.721 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.150 -10.624 2.055 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.566 -9.646 3.422 1.00 0.78 H new ATOM 204 N ILE A 13 -1.123 -9.617 0.339 1.00 0.48 N ATOM 205 CA ILE A 13 -0.700 -9.189 -0.958 1.00 0.55 C ATOM 206 C ILE A 13 0.762 -8.904 -0.954 1.00 0.51 C ATOM 207 O ILE A 13 1.286 -7.846 -0.609 1.00 0.56 O ATOM 208 CB ILE A 13 -1.486 -8.058 -1.554 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.981 -8.050 -1.191 1.00 1.15 C ATOM 210 CG2 ILE A 13 -1.367 -8.203 -3.080 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.677 -6.784 -1.689 1.00 1.55 C ATOM 0 H ILE A 13 -1.550 -8.852 0.860 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.910 -10.027 -1.623 1.00 0.55 H new ATOM 0 HB ILE A 13 -1.077 -7.129 -1.158 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.465 -8.926 -1.624 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -3.093 -8.125 -0.109 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.923 -7.402 -3.566 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -0.318 -8.145 -3.370 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.775 -9.166 -3.387 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.731 -6.816 -1.413 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -3.210 -5.910 -1.236 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.587 -6.722 -2.774 1.00 1.55 H new ATOM 223 N THR A 14 1.612 -9.839 -1.417 1.00 0.55 N ATOM 224 CA THR A 14 3.030 -9.684 -1.503 1.00 0.54 C ATOM 225 C THR A 14 3.405 -8.940 -2.738 1.00 0.55 C ATOM 226 O THR A 14 3.076 -9.367 -3.843 1.00 0.72 O ATOM 227 CB THR A 14 3.828 -10.952 -1.576 1.00 0.67 C ATOM 228 OG1 THR A 14 3.565 -11.739 -0.425 1.00 1.08 O ATOM 229 CG2 THR A 14 5.323 -10.688 -1.328 1.00 1.03 C ATOM 0 H THR A 14 1.292 -10.749 -1.748 1.00 0.55 H new ATOM 0 HA THR A 14 3.267 -9.167 -0.573 1.00 0.54 H new ATOM 0 HB THR A 14 3.587 -11.390 -2.544 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.103 -11.411 0.325 1.00 1.08 H new ATOM 0 HG21 THR A 14 5.873 -11.627 -1.388 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.701 -9.998 -2.082 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.456 -10.252 -0.338 1.00 1.03 H new ATOM 237 N LEU A 15 4.122 -7.805 -2.649 1.00 0.50 N ATOM 238 CA LEU A 15 4.521 -6.981 -3.748 1.00 0.55 C ATOM 239 C LEU A 15 5.985 -6.752 -3.900 1.00 0.52 C ATOM 240 O LEU A 15 6.712 -6.665 -2.911 1.00 0.58 O ATOM 241 CB LEU A 15 3.938 -5.571 -3.550 1.00 0.69 C ATOM 242 CG LEU A 15 2.418 -5.385 -3.413 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.126 -3.879 -3.302 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.741 -5.940 -4.677 1.00 1.55 C ATOM 0 H LEU A 15 4.443 -7.440 -1.752 1.00 0.50 H new ATOM 0 HA LEU A 15 4.164 -7.525 -4.623 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.399 -5.151 -2.656 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.265 -4.962 -4.393 1.00 0.69 H new ATOM 0 HG LEU A 15 2.042 -5.907 -2.533 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.052 -3.723 -3.204 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.633 -3.474 -2.426 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.486 -3.372 -4.197 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.661 -5.816 -4.596 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.104 -5.399 -5.551 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.977 -6.999 -4.781 1.00 1.55 H new ATOM 256 N GLU A 16 6.417 -6.680 -5.172 1.00 0.59 N ATOM 257 CA GLU A 16 7.796 -6.349 -5.358 1.00 0.63 C ATOM 258 C GLU A 16 7.893 -4.926 -5.790 1.00 0.65 C ATOM 259 O GLU A 16 7.229 -4.540 -6.750 1.00 0.81 O ATOM 260 CB GLU A 16 8.514 -7.249 -6.376 1.00 0.76 C ATOM 261 CG GLU A 16 8.828 -8.603 -5.738 1.00 1.41 C ATOM 262 CD GLU A 16 9.653 -9.521 -6.629 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.869 -9.229 -6.785 1.00 1.95 O ATOM 264 OE2 GLU A 16 9.130 -10.583 -7.061 1.00 1.92 O ATOM 0 H GLU A 16 5.862 -6.837 -6.013 1.00 0.59 H new ATOM 0 HA GLU A 16 8.297 -6.509 -4.403 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.888 -7.388 -7.257 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.435 -6.772 -6.711 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.365 -8.439 -4.804 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.892 -9.101 -5.485 1.00 1.41 H new ATOM 271 N VAL A 17 8.654 -4.055 -5.104 1.00 0.61 N ATOM 272 CA VAL A 17 8.655 -2.645 -5.343 1.00 0.63 C ATOM 273 C VAL A 17 10.057 -2.156 -5.221 1.00 0.65 C ATOM 274 O VAL A 17 10.904 -2.933 -4.783 1.00 0.76 O ATOM 275 CB VAL A 17 7.800 -1.884 -4.374 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.334 -2.344 -4.331 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.271 -2.139 -2.931 1.00 0.92 C ATOM 0 H VAL A 17 9.289 -4.341 -4.359 1.00 0.61 H new ATOM 0 HA VAL A 17 8.243 -2.478 -6.338 1.00 0.63 H new ATOM 0 HB VAL A 17 7.882 -0.851 -4.713 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.785 -1.743 -3.606 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.885 -2.222 -5.317 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.290 -3.393 -4.040 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.641 -1.580 -2.239 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.200 -3.204 -2.708 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.306 -1.814 -2.823 1.00 0.92 H new ATOM 287 N GLU A 18 10.354 -0.933 -5.697 1.00 0.68 N ATOM 288 CA GLU A 18 11.525 -0.173 -5.385 1.00 0.74 C ATOM 289 C GLU A 18 11.205 0.899 -4.401 1.00 0.71 C ATOM 290 O GLU A 18 10.053 1.327 -4.468 1.00 0.74 O ATOM 291 CB GLU A 18 12.363 0.267 -6.596 1.00 0.88 C ATOM 292 CG GLU A 18 12.858 -0.826 -7.546 1.00 1.16 C ATOM 293 CD GLU A 18 14.213 -1.370 -7.119 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.198 -2.228 -6.197 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.284 -1.094 -7.723 1.00 2.33 O ATOM 0 H GLU A 18 9.734 -0.444 -6.343 1.00 0.68 H new ATOM 0 HA GLU A 18 12.222 -0.850 -4.892 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.770 0.974 -7.176 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.233 0.809 -6.224 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.132 -1.639 -7.576 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.929 -0.425 -8.557 1.00 1.16 H new ATOM 302 N PRO A 19 12.022 1.391 -3.518 1.00 0.74 N ATOM 303 CA PRO A 19 11.554 2.299 -2.511 1.00 0.74 C ATOM 304 C PRO A 19 11.340 3.639 -3.124 1.00 0.70 C ATOM 305 O PRO A 19 10.701 4.458 -2.466 1.00 0.74 O ATOM 306 CB PRO A 19 12.690 2.323 -1.491 1.00 0.86 C ATOM 307 CG PRO A 19 13.954 1.864 -2.237 1.00 0.95 C ATOM 308 CD PRO A 19 13.377 0.910 -3.295 1.00 0.82 C ATOM 0 HA PRO A 19 10.607 2.010 -2.055 1.00 0.74 H new ATOM 0 HB2 PRO A 19 12.823 3.324 -1.081 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.473 1.662 -0.652 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.486 2.701 -2.690 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.658 1.360 -1.574 1.00 0.95 H new ATOM 0 HD2 PRO A 19 13.963 0.935 -4.214 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.379 -0.122 -2.943 1.00 0.82 H new ATOM 316 N SER A 20 11.864 3.903 -4.334 1.00 0.70 N ATOM 317 CA SER A 20 11.605 5.118 -5.044 1.00 0.74 C ATOM 318 C SER A 20 10.307 5.131 -5.776 1.00 0.71 C ATOM 319 O SER A 20 9.852 6.121 -6.345 1.00 0.80 O ATOM 320 CB SER A 20 12.786 5.357 -6.000 1.00 0.89 C ATOM 321 OG SER A 20 12.877 4.405 -7.050 1.00 1.45 O ATOM 0 H SER A 20 12.481 3.259 -4.830 1.00 0.70 H new ATOM 0 HA SER A 20 11.513 5.925 -4.317 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.695 6.353 -6.433 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.713 5.342 -5.427 1.00 0.89 H new ATOM 0 HG SER A 20 13.646 4.618 -7.619 1.00 1.45 H new ATOM 327 N ASP A 21 9.547 4.022 -5.719 1.00 0.70 N ATOM 328 CA ASP A 21 8.228 4.056 -6.267 1.00 0.73 C ATOM 329 C ASP A 21 7.260 4.796 -5.410 1.00 0.64 C ATOM 330 O ASP A 21 7.318 4.684 -4.187 1.00 0.66 O ATOM 331 CB ASP A 21 7.709 2.633 -6.541 1.00 0.87 C ATOM 332 CG ASP A 21 8.647 1.746 -7.347 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.326 2.302 -8.251 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.446 0.504 -7.271 1.00 1.69 O ATOM 0 H ASP A 21 9.832 3.133 -5.309 1.00 0.70 H new ATOM 0 HA ASP A 21 8.305 4.600 -7.208 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.506 2.147 -5.587 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.759 2.705 -7.070 1.00 0.87 H new ATOM 339 N THR A 22 6.258 5.458 -6.017 1.00 0.63 N ATOM 340 CA THR A 22 5.339 6.275 -5.288 1.00 0.58 C ATOM 341 C THR A 22 4.193 5.503 -4.731 1.00 0.53 C ATOM 342 O THR A 22 3.956 4.326 -4.997 1.00 0.58 O ATOM 343 CB THR A 22 4.777 7.426 -6.070 1.00 0.63 C ATOM 344 OG1 THR A 22 4.188 6.991 -7.286 1.00 0.70 O ATOM 345 CG2 THR A 22 5.825 8.474 -6.478 1.00 0.75 C ATOM 0 H THR A 22 6.084 5.426 -7.022 1.00 0.63 H new ATOM 0 HA THR A 22 5.954 6.672 -4.480 1.00 0.58 H new ATOM 0 HB THR A 22 4.051 7.870 -5.389 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.830 7.764 -7.771 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.341 9.273 -7.039 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.291 8.889 -5.585 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.587 8.004 -7.100 1.00 0.75 H new ATOM 353 N ILE A 23 3.290 6.134 -3.961 1.00 0.51 N ATOM 354 CA ILE A 23 2.132 5.495 -3.416 1.00 0.48 C ATOM 355 C ILE A 23 1.155 5.376 -4.535 1.00 0.48 C ATOM 356 O ILE A 23 0.367 4.437 -4.646 1.00 0.51 O ATOM 357 CB ILE A 23 1.632 6.087 -2.133 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.835 6.285 -1.196 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.550 5.175 -1.528 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.521 4.982 -0.786 1.00 0.73 C ATOM 0 H ILE A 23 3.367 7.119 -3.709 1.00 0.51 H new ATOM 0 HA ILE A 23 2.368 4.494 -3.054 1.00 0.48 H new ATOM 0 HB ILE A 23 1.165 7.058 -2.299 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.564 6.929 -1.688 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.502 6.807 -0.299 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.189 5.608 -0.595 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.279 5.080 -2.229 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.973 4.190 -1.330 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.359 5.204 -0.126 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.808 4.344 -0.265 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.886 4.468 -1.675 1.00 0.73 H new ATOM 372 N GLU A 24 1.061 6.369 -5.436 1.00 0.50 N ATOM 373 CA GLU A 24 0.340 6.295 -6.669 1.00 0.53 C ATOM 374 C GLU A 24 0.746 5.115 -7.484 1.00 0.50 C ATOM 375 O GLU A 24 -0.120 4.549 -8.150 1.00 0.55 O ATOM 376 CB GLU A 24 0.623 7.566 -7.488 1.00 0.64 C ATOM 377 CG GLU A 24 -0.337 7.773 -8.661 1.00 0.95 C ATOM 378 CD GLU A 24 -0.203 9.018 -9.526 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.618 9.917 -9.199 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.904 9.098 -10.569 1.00 1.56 O ATOM 0 H GLU A 24 1.513 7.273 -5.297 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.719 6.200 -6.430 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.567 8.432 -6.828 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.643 7.521 -7.869 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.243 6.907 -9.317 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.351 7.761 -8.260 1.00 0.95 H new ATOM 387 N ASN A 25 2.026 4.704 -7.504 1.00 0.51 N ATOM 388 CA ASN A 25 2.520 3.559 -8.203 1.00 0.52 C ATOM 389 C ASN A 25 2.157 2.282 -7.524 1.00 0.47 C ATOM 390 O ASN A 25 1.675 1.329 -8.135 1.00 0.53 O ATOM 391 CB ASN A 25 4.040 3.713 -8.375 1.00 0.64 C ATOM 392 CG ASN A 25 4.563 2.974 -9.599 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.214 1.941 -9.448 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.264 3.514 -10.810 1.00 1.57 N ATOM 0 H ASN A 25 2.760 5.202 -7.001 1.00 0.51 H new ATOM 0 HA ASN A 25 2.049 3.506 -9.184 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.288 4.771 -8.459 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.544 3.337 -7.484 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.585 3.059 -11.665 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.719 4.375 -10.864 1.00 1.57 H new ATOM 401 N VAL A 26 2.332 2.185 -6.194 1.00 0.45 N ATOM 402 CA VAL A 26 1.981 1.110 -5.320 1.00 0.44 C ATOM 403 C VAL A 26 0.527 0.788 -5.386 1.00 0.40 C ATOM 404 O VAL A 26 0.199 -0.384 -5.561 1.00 0.44 O ATOM 405 CB VAL A 26 2.462 1.299 -3.912 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.222 0.071 -3.017 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.974 1.580 -3.958 1.00 0.62 C ATOM 0 H VAL A 26 2.769 2.948 -5.677 1.00 0.45 H new ATOM 0 HA VAL A 26 2.519 0.239 -5.692 1.00 0.44 H new ATOM 0 HB VAL A 26 1.898 2.126 -3.481 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.593 0.275 -2.013 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.154 -0.144 -2.973 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.748 -0.789 -3.431 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.349 1.721 -2.944 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.487 0.737 -4.420 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.159 2.481 -4.542 1.00 0.62 H new ATOM 417 N LYS A 27 -0.374 1.786 -5.404 1.00 0.40 N ATOM 418 CA LYS A 27 -1.728 1.403 -5.657 1.00 0.41 C ATOM 419 C LYS A 27 -2.070 0.938 -7.030 1.00 0.38 C ATOM 420 O LYS A 27 -2.925 0.087 -7.272 1.00 0.42 O ATOM 421 CB LYS A 27 -2.690 2.533 -5.253 1.00 0.51 C ATOM 422 CG LYS A 27 -2.649 2.889 -3.765 1.00 0.76 C ATOM 423 CD LYS A 27 -3.641 3.999 -3.411 1.00 0.82 C ATOM 424 CE LYS A 27 -3.352 5.402 -3.949 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.501 6.275 -3.625 1.00 1.11 N ATOM 0 H LYS A 27 -0.191 2.779 -5.257 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.846 0.515 -5.037 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.452 3.423 -5.835 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.706 2.242 -5.518 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.873 2.001 -3.174 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.641 3.205 -3.496 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.625 3.697 -3.769 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.703 4.061 -2.325 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.439 5.797 -3.504 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.193 5.369 -5.027 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.320 7.234 -3.984 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -5.361 5.895 -4.069 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.630 6.310 -2.594 1.00 1.11 H new ATOM 439 N ALA A 28 -1.411 1.525 -8.045 1.00 0.39 N ATOM 440 CA ALA A 28 -1.574 1.185 -9.425 1.00 0.39 C ATOM 441 C ALA A 28 -1.100 -0.219 -9.583 1.00 0.36 C ATOM 442 O ALA A 28 -1.795 -1.001 -10.231 1.00 0.42 O ATOM 443 CB ALA A 28 -0.927 2.199 -10.383 1.00 0.51 C ATOM 0 H ALA A 28 -0.732 2.272 -7.897 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.623 1.240 -9.715 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -1.088 1.880 -11.413 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.377 3.180 -10.232 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.143 2.256 -10.184 1.00 0.51 H new ATOM 449 N LYS A 29 -0.024 -0.610 -8.878 1.00 0.39 N ATOM 450 CA LYS A 29 0.393 -1.969 -8.726 1.00 0.43 C ATOM 451 C LYS A 29 -0.549 -2.958 -8.134 1.00 0.44 C ATOM 452 O LYS A 29 -0.732 -4.084 -8.592 1.00 0.54 O ATOM 453 CB LYS A 29 1.766 -2.046 -8.038 1.00 0.54 C ATOM 454 CG LYS A 29 2.499 -3.389 -8.060 1.00 0.65 C ATOM 455 CD LYS A 29 3.932 -3.285 -7.532 1.00 1.08 C ATOM 456 CE LYS A 29 4.962 -2.651 -8.468 1.00 1.24 C ATOM 457 NZ LYS A 29 5.013 -3.407 -9.740 1.00 1.44 N ATOM 0 H LYS A 29 0.582 0.051 -8.392 1.00 0.39 H new ATOM 0 HA LYS A 29 0.437 -2.301 -9.763 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.415 -1.302 -8.501 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.636 -1.752 -6.996 1.00 0.54 H new ATOM 0 HG2 LYS A 29 1.946 -4.111 -7.459 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.518 -3.772 -9.080 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.913 -2.710 -6.606 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.275 -4.288 -7.277 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.699 -1.611 -8.662 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.944 -2.649 -7.995 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 5.879 -3.157 -10.258 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.013 -4.427 -9.538 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.183 -3.169 -10.319 1.00 1.44 H new ATOM 471 N ILE A 30 -1.285 -2.574 -7.074 1.00 0.41 N ATOM 472 CA ILE A 30 -2.350 -3.382 -6.566 1.00 0.44 C ATOM 473 C ILE A 30 -3.465 -3.579 -7.534 1.00 0.45 C ATOM 474 O ILE A 30 -3.923 -4.718 -7.606 1.00 0.56 O ATOM 475 CB ILE A 30 -2.714 -2.913 -5.189 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.577 -3.215 -4.199 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.002 -3.571 -4.666 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.703 -2.356 -2.942 1.00 1.32 C ATOM 0 H ILE A 30 -1.141 -1.700 -6.568 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.010 -4.411 -6.446 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.880 -1.838 -5.264 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.598 -4.270 -3.926 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.615 -3.028 -4.676 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.221 -3.197 -3.666 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.830 -3.330 -5.333 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.869 -4.652 -4.628 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.887 -2.589 -2.258 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.657 -1.302 -3.216 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.655 -2.563 -2.454 1.00 1.32 H new ATOM 490 N GLN A 31 -3.850 -2.607 -8.380 1.00 0.41 N ATOM 491 CA GLN A 31 -4.775 -2.631 -9.471 1.00 0.48 C ATOM 492 C GLN A 31 -4.301 -3.598 -10.500 1.00 0.52 C ATOM 493 O GLN A 31 -5.086 -4.385 -11.028 1.00 0.66 O ATOM 494 CB GLN A 31 -4.914 -1.204 -10.026 1.00 0.52 C ATOM 495 CG GLN A 31 -6.103 -1.067 -10.980 1.00 0.70 C ATOM 496 CD GLN A 31 -6.337 0.246 -11.712 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.398 0.866 -11.753 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.230 0.747 -12.323 1.00 1.43 N ATOM 0 H GLN A 31 -3.452 -1.673 -8.279 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.760 -2.964 -9.145 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.032 -0.504 -9.199 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.998 -0.928 -10.548 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.006 -1.847 -11.735 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.005 -1.286 -10.409 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.351 0.231 -12.288 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.279 1.638 -12.816 1.00 1.43 H new ATOM 507 N ASP A 32 -2.984 -3.607 -10.769 1.00 0.50 N ATOM 508 CA ASP A 32 -2.349 -4.506 -11.683 1.00 0.60 C ATOM 509 C ASP A 32 -2.538 -5.948 -11.361 1.00 0.65 C ATOM 510 O ASP A 32 -3.185 -6.693 -12.095 1.00 0.81 O ATOM 511 CB ASP A 32 -0.898 -4.023 -11.852 1.00 0.67 C ATOM 512 CG ASP A 32 -0.190 -4.769 -12.973 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.883 -4.810 -14.025 1.00 1.51 O ATOM 514 OD2 ASP A 32 1.004 -5.170 -12.913 1.00 1.55 O ATOM 0 H ASP A 32 -2.331 -2.958 -10.329 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.836 -4.472 -12.658 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.892 -2.954 -12.064 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.354 -4.166 -10.918 1.00 0.67 H new ATOM 519 N LYS A 33 -2.096 -6.254 -10.128 1.00 0.62 N ATOM 520 CA LYS A 33 -2.051 -7.589 -9.616 1.00 0.73 C ATOM 521 C LYS A 33 -3.342 -8.233 -9.245 1.00 0.69 C ATOM 522 O LYS A 33 -3.802 -9.189 -9.867 1.00 0.83 O ATOM 523 CB LYS A 33 -1.141 -7.606 -8.376 1.00 0.85 C ATOM 524 CG LYS A 33 -0.559 -8.986 -8.066 1.00 1.31 C ATOM 525 CD LYS A 33 -0.033 -9.091 -6.632 1.00 1.71 C ATOM 526 CE LYS A 33 0.644 -10.401 -6.221 1.00 2.26 C ATOM 527 NZ LYS A 33 -0.271 -11.541 -6.450 1.00 2.62 N ATOM 0 H LYS A 33 -1.760 -5.553 -9.468 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.682 -8.179 -10.455 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.323 -6.901 -8.525 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.709 -7.258 -7.513 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.326 -9.744 -8.225 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.251 -9.200 -8.763 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.679 -8.281 -6.475 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.868 -8.917 -5.954 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.561 -10.540 -6.793 1.00 2.26 H new ATOM 0 HE3 LYS A 33 0.928 -10.358 -5.169 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 0.006 -12.336 -5.839 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -1.245 -11.255 -6.226 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -0.217 -11.835 -7.446 1.00 2.62 H new ATOM 541 N GLU A 34 -4.047 -7.679 -8.243 1.00 0.63 N ATOM 542 CA GLU A 34 -5.171 -8.310 -7.622 1.00 0.67 C ATOM 543 C GLU A 34 -6.458 -7.753 -8.124 1.00 0.69 C ATOM 544 O GLU A 34 -7.510 -8.385 -8.028 1.00 0.95 O ATOM 545 CB GLU A 34 -5.113 -8.071 -6.103 1.00 0.73 C ATOM 546 CG GLU A 34 -3.978 -8.836 -5.420 1.00 0.83 C ATOM 547 CD GLU A 34 -3.922 -10.336 -5.672 1.00 0.95 C ATOM 548 OE1 GLU A 34 -4.915 -10.995 -5.264 1.00 1.37 O ATOM 549 OE2 GLU A 34 -2.866 -10.915 -6.041 1.00 1.48 O ATOM 0 H GLU A 34 -3.828 -6.763 -7.852 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.126 -9.373 -7.859 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -4.991 -7.005 -5.913 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.063 -8.367 -5.658 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.032 -8.401 -5.741 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.055 -8.673 -4.345 1.00 0.83 H new ATOM 556 N GLY A 35 -6.388 -6.550 -8.722 1.00 0.63 N ATOM 557 CA GLY A 35 -7.538 -5.985 -9.358 1.00 0.68 C ATOM 558 C GLY A 35 -8.332 -4.972 -8.607 1.00 0.76 C ATOM 559 O GLY A 35 -9.534 -4.862 -8.844 1.00 1.12 O ATOM 0 H GLY A 35 -5.547 -5.975 -8.766 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.211 -5.526 -10.291 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.208 -6.803 -9.623 1.00 0.68 H new ATOM 563 N ILE A 36 -7.754 -4.157 -7.707 1.00 0.70 N ATOM 564 CA ILE A 36 -8.460 -3.219 -6.891 1.00 0.76 C ATOM 565 C ILE A 36 -8.210 -1.842 -7.403 1.00 0.71 C ATOM 566 O ILE A 36 -7.038 -1.483 -7.510 1.00 0.73 O ATOM 567 CB ILE A 36 -8.059 -3.251 -5.446 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.244 -4.672 -4.887 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.991 -2.289 -4.691 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.801 -4.682 -3.425 1.00 1.16 C ATOM 0 H ILE A 36 -6.748 -4.152 -7.541 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.512 -3.498 -6.947 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.015 -2.960 -5.332 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.287 -4.978 -4.968 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.657 -5.385 -5.465 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.730 -2.285 -3.633 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.881 -1.283 -5.096 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.024 -2.616 -4.808 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.926 -5.684 -3.014 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.752 -4.392 -3.361 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.408 -3.978 -2.856 1.00 1.16 H new ATOM 582 N PRO A 37 -9.091 -0.996 -7.850 1.00 0.75 N ATOM 583 CA PRO A 37 -8.801 0.355 -8.234 1.00 0.79 C ATOM 584 C PRO A 37 -8.157 1.172 -7.168 1.00 0.75 C ATOM 585 O PRO A 37 -8.455 0.989 -5.988 1.00 0.75 O ATOM 586 CB PRO A 37 -10.213 0.864 -8.513 1.00 0.95 C ATOM 587 CG PRO A 37 -10.953 -0.314 -9.163 1.00 1.02 C ATOM 588 CD PRO A 37 -10.358 -1.488 -8.369 1.00 0.85 C ATOM 0 HA PRO A 37 -8.088 0.417 -9.056 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.706 1.177 -7.593 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.194 1.729 -9.175 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.034 -0.240 -9.047 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.752 -0.392 -10.232 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.022 -1.793 -7.561 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.210 -2.360 -9.007 1.00 0.85 H new ATOM 596 N PRO A 38 -7.281 2.084 -7.467 1.00 0.81 N ATOM 597 CA PRO A 38 -6.411 2.716 -6.519 1.00 0.85 C ATOM 598 C PRO A 38 -7.158 3.822 -5.856 1.00 0.89 C ATOM 599 O PRO A 38 -6.596 4.426 -4.944 1.00 0.99 O ATOM 600 CB PRO A 38 -5.229 3.118 -7.397 1.00 1.01 C ATOM 601 CG PRO A 38 -5.936 3.537 -8.696 1.00 1.25 C ATOM 602 CD PRO A 38 -6.944 2.386 -8.850 1.00 0.98 C ATOM 0 HA PRO A 38 -6.057 2.117 -5.680 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.655 3.935 -6.961 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.537 2.291 -7.556 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.425 4.507 -8.608 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.249 3.602 -9.540 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.819 2.686 -9.426 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.506 1.527 -9.359 1.00 0.98 H new ATOM 610 N ASP A 39 -8.399 4.147 -6.261 1.00 0.96 N ATOM 611 CA ASP A 39 -9.204 5.144 -5.626 1.00 1.11 C ATOM 612 C ASP A 39 -9.871 4.608 -4.407 1.00 1.00 C ATOM 613 O ASP A 39 -9.981 5.314 -3.405 1.00 1.14 O ATOM 614 CB ASP A 39 -10.104 5.811 -6.679 1.00 1.39 C ATOM 615 CG ASP A 39 -9.178 6.553 -7.631 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.534 7.490 -7.091 1.00 2.25 O ATOM 617 OD2 ASP A 39 -8.994 6.209 -8.830 1.00 2.23 O ATOM 0 H ASP A 39 -8.857 3.701 -7.056 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.594 5.952 -5.223 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.694 5.066 -7.213 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.808 6.498 -6.209 1.00 1.39 H new ATOM 622 N GLN A 40 -10.075 3.283 -4.298 1.00 0.87 N ATOM 623 CA GLN A 40 -10.736 2.655 -3.196 1.00 0.84 C ATOM 624 C GLN A 40 -9.776 2.279 -2.121 1.00 0.67 C ATOM 625 O GLN A 40 -10.128 1.869 -1.016 1.00 0.80 O ATOM 626 CB GLN A 40 -11.432 1.362 -3.652 1.00 0.95 C ATOM 627 CG GLN A 40 -12.599 1.528 -4.628 1.00 1.32 C ATOM 628 CD GLN A 40 -13.224 0.249 -5.167 1.00 1.48 C ATOM 629 OE1 GLN A 40 -14.434 0.121 -5.344 1.00 1.70 O ATOM 630 NE2 GLN A 40 -12.404 -0.810 -5.405 1.00 2.02 N ATOM 0 H GLN A 40 -9.766 2.620 -5.009 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.458 3.377 -2.815 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.686 0.718 -4.117 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.797 0.840 -2.768 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.379 2.105 -4.131 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.253 2.121 -5.475 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -11.398 -0.718 -5.262 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -12.795 -1.696 -5.726 1.00 2.02 H new ATOM 639 N GLN A 41 -8.470 2.327 -2.438 1.00 0.56 N ATOM 640 CA GLN A 41 -7.322 1.937 -1.680 1.00 0.51 C ATOM 641 C GLN A 41 -6.839 3.042 -0.807 1.00 0.49 C ATOM 642 O GLN A 41 -6.517 4.107 -1.331 1.00 0.65 O ATOM 643 CB GLN A 41 -6.161 1.402 -2.536 1.00 0.67 C ATOM 644 CG GLN A 41 -6.491 0.127 -3.316 1.00 0.69 C ATOM 645 CD GLN A 41 -5.255 -0.355 -4.060 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.158 -0.464 -3.511 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.453 -0.824 -5.321 1.00 0.61 N ATOM 0 H GLN A 41 -8.187 2.688 -3.349 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.665 1.109 -1.059 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.857 2.177 -3.240 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.307 1.207 -1.888 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.841 -0.647 -2.634 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.299 0.320 -4.021 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.367 -0.727 -5.764 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.688 -1.273 -5.824 1.00 0.61 H new ATOM 656 N ARG A 42 -6.738 2.819 0.515 1.00 0.47 N ATOM 657 CA ARG A 42 -5.939 3.665 1.350 1.00 0.55 C ATOM 658 C ARG A 42 -4.928 2.841 2.069 1.00 0.46 C ATOM 659 O ARG A 42 -5.182 2.013 2.943 1.00 0.52 O ATOM 660 CB ARG A 42 -6.859 4.333 2.385 1.00 0.73 C ATOM 661 CG ARG A 42 -8.134 4.979 1.840 1.00 1.04 C ATOM 662 CD ARG A 42 -8.778 5.999 2.780 1.00 1.28 C ATOM 663 NE ARG A 42 -9.891 6.566 1.964 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.458 7.742 2.359 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.116 8.313 3.550 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.372 8.428 1.612 1.00 2.78 N ATOM 0 H ARG A 42 -7.206 2.057 1.005 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.433 4.416 0.743 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.144 3.584 3.124 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.286 5.097 2.910 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.902 5.470 0.895 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.859 4.195 1.623 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.147 5.529 3.691 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.069 6.769 3.083 1.00 1.28 H new ATOM 0 HE ARG A 42 -10.221 6.084 1.128 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.430 7.860 4.154 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.546 9.193 3.836 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.665 8.065 0.705 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.762 9.304 1.961 1.00 2.78 H new ATOM 680 N LEU A 43 -3.666 3.120 1.697 1.00 0.46 N ATOM 681 CA LEU A 43 -2.541 2.425 2.239 1.00 0.42 C ATOM 682 C LEU A 43 -2.157 3.148 3.484 1.00 0.43 C ATOM 683 O LEU A 43 -2.176 4.372 3.610 1.00 0.55 O ATOM 684 CB LEU A 43 -1.327 2.252 1.311 1.00 0.55 C ATOM 685 CG LEU A 43 -1.597 1.514 -0.010 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.333 1.310 -0.862 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.329 0.182 0.223 1.00 1.12 C ATOM 0 H LEU A 43 -3.424 3.836 1.012 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.853 1.395 2.415 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.927 3.239 1.079 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.551 1.713 1.855 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.253 2.167 -0.585 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.594 0.783 -1.780 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.099 2.280 -1.110 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.393 0.722 -0.301 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.502 -0.310 -0.734 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.720 -0.462 0.857 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.285 0.373 0.711 1.00 1.12 H new ATOM 699 N ILE A 44 -1.822 2.376 4.534 1.00 0.42 N ATOM 700 CA ILE A 44 -1.444 2.793 5.848 1.00 0.46 C ATOM 701 C ILE A 44 -0.258 2.020 6.312 1.00 0.42 C ATOM 702 O ILE A 44 -0.177 0.793 6.281 1.00 0.53 O ATOM 703 CB ILE A 44 -2.497 2.530 6.882 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.830 3.194 6.499 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.123 2.975 8.306 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.974 2.722 7.395 1.00 1.27 C ATOM 0 H ILE A 44 -1.816 1.359 4.451 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.259 3.863 5.759 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.592 1.444 6.898 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.732 4.277 6.574 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.064 2.966 5.459 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.943 2.746 8.986 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.226 2.447 8.628 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.935 4.049 8.314 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.899 3.213 7.093 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.089 1.642 7.300 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.751 2.973 8.432 1.00 1.27 H new ATOM 718 N PHE A 45 0.825 2.655 6.792 1.00 0.42 N ATOM 719 CA PHE A 45 1.974 1.965 7.291 1.00 0.46 C ATOM 720 C PHE A 45 2.197 2.539 8.648 1.00 0.68 C ATOM 721 O PHE A 45 2.455 3.731 8.805 1.00 1.50 O ATOM 722 CB PHE A 45 3.223 2.295 6.455 1.00 0.56 C ATOM 723 CG PHE A 45 4.529 1.724 6.890 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.718 0.367 7.017 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.544 2.550 7.309 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.886 -0.154 7.522 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.714 2.065 7.845 1.00 1.33 C ATOM 728 CZ PHE A 45 6.873 0.703 7.949 1.00 1.02 C ATOM 0 H PHE A 45 0.905 3.671 6.835 1.00 0.42 H new ATOM 0 HA PHE A 45 1.817 0.887 7.273 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.038 1.963 5.433 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.327 3.380 6.424 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.930 -0.305 6.713 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.418 3.618 7.214 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.026 -1.223 7.583 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.490 2.739 8.177 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.783 0.302 8.371 1.00 1.02 H new ATOM 738 N ALA A 46 2.032 1.642 9.635 1.00 0.81 N ATOM 739 CA ALA A 46 2.217 1.816 11.042 1.00 0.96 C ATOM 740 C ALA A 46 1.113 2.635 11.619 1.00 0.97 C ATOM 741 O ALA A 46 0.486 2.223 12.593 1.00 1.21 O ATOM 742 CB ALA A 46 3.578 2.477 11.322 1.00 1.20 C ATOM 0 H ALA A 46 1.736 0.690 9.420 1.00 0.81 H new ATOM 0 HA ALA A 46 2.200 0.835 11.517 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.707 2.604 12.397 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.376 1.845 10.933 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.617 3.451 10.834 1.00 1.20 H new ATOM 748 N GLY A 47 0.900 3.875 11.145 1.00 0.99 N ATOM 749 CA GLY A 47 -0.128 4.700 11.700 1.00 1.10 C ATOM 750 C GLY A 47 -0.477 5.833 10.798 1.00 1.03 C ATOM 751 O GLY A 47 -1.476 6.527 10.988 1.00 1.30 O ATOM 0 H GLY A 47 1.432 4.303 10.387 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.017 4.097 11.886 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.200 5.090 12.663 1.00 1.10 H new ATOM 755 N LYS A 48 0.421 6.021 9.814 1.00 0.98 N ATOM 756 CA LYS A 48 0.350 7.076 8.852 1.00 1.05 C ATOM 757 C LYS A 48 -0.246 6.558 7.589 1.00 0.84 C ATOM 758 O LYS A 48 0.110 5.473 7.129 1.00 0.81 O ATOM 759 CB LYS A 48 1.714 7.738 8.592 1.00 1.42 C ATOM 760 CG LYS A 48 2.296 8.374 9.855 1.00 1.61 C ATOM 761 CD LYS A 48 3.586 9.045 9.380 1.00 1.87 C ATOM 762 CE LYS A 48 3.906 10.317 10.166 1.00 2.22 C ATOM 763 NZ LYS A 48 5.264 10.755 9.770 1.00 2.55 N ATOM 0 H LYS A 48 1.229 5.413 9.684 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.289 7.858 9.262 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.411 6.993 8.208 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.605 8.500 7.820 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.607 9.099 10.289 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.496 7.625 10.622 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.414 8.343 9.477 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.497 9.288 8.321 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.174 11.095 9.950 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.862 10.126 11.238 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.514 11.621 10.288 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.950 10.006 9.996 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.283 10.945 8.748 1.00 2.55 H new ATOM 777 N GLN A 49 -1.201 7.320 7.026 1.00 0.84 N ATOM 778 CA GLN A 49 -1.735 7.189 5.706 1.00 0.80 C ATOM 779 C GLN A 49 -0.721 7.672 4.726 1.00 0.72 C ATOM 780 O GLN A 49 -0.027 8.655 4.977 1.00 0.83 O ATOM 781 CB GLN A 49 -3.022 7.983 5.422 1.00 1.03 C ATOM 782 CG GLN A 49 -4.145 7.415 6.293 1.00 1.67 C ATOM 783 CD GLN A 49 -5.417 8.223 6.077 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.824 9.011 6.930 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.965 8.212 4.832 1.00 2.48 N ATOM 0 H GLN A 49 -1.633 8.090 7.537 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.982 6.131 5.614 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -2.871 9.040 5.641 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.287 7.910 4.367 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.320 6.369 6.042 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.856 7.447 7.343 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.623 7.556 4.130 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.718 8.860 4.601 1.00 2.48 H new ATOM 794 N LEU A 50 -0.602 6.972 3.584 1.00 0.69 N ATOM 795 CA LEU A 50 0.433 7.167 2.616 1.00 0.66 C ATOM 796 C LEU A 50 -0.146 8.042 1.559 1.00 0.72 C ATOM 797 O LEU A 50 -1.222 7.731 1.051 1.00 0.90 O ATOM 798 CB LEU A 50 1.130 5.874 2.160 1.00 0.65 C ATOM 799 CG LEU A 50 1.495 4.849 3.248 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.225 3.687 2.554 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.438 5.451 4.304 1.00 0.74 C ATOM 0 H LEU A 50 -1.258 6.236 3.323 1.00 0.69 H new ATOM 0 HA LEU A 50 1.295 7.676 3.047 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.484 5.380 1.434 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.045 6.150 1.636 1.00 0.65 H new ATOM 0 HG LEU A 50 0.585 4.526 3.753 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.501 2.937 3.295 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.568 3.237 1.810 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.124 4.062 2.065 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.672 4.696 5.055 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.358 5.783 3.823 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.952 6.301 4.783 1.00 0.74 H new ATOM 813 N GLU A 51 0.417 9.214 1.215 1.00 0.70 N ATOM 814 CA GLU A 51 -0.147 10.025 0.181 1.00 0.76 C ATOM 815 C GLU A 51 0.466 9.684 -1.135 1.00 0.77 C ATOM 816 O GLU A 51 1.670 9.453 -1.215 1.00 1.23 O ATOM 817 CB GLU A 51 0.221 11.475 0.537 1.00 0.88 C ATOM 818 CG GLU A 51 -0.456 12.568 -0.293 1.00 1.35 C ATOM 819 CD GLU A 51 -0.257 13.914 0.387 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.001 14.238 1.352 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.602 14.697 -0.101 1.00 1.94 O ATOM 0 H GLU A 51 1.256 9.598 1.649 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.224 9.873 0.107 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.022 11.642 1.586 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.300 11.589 0.438 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.035 12.590 -1.298 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.520 12.355 -0.397 1.00 1.35 H new ATOM 828 N ASP A 52 -0.295 9.749 -2.242 1.00 0.66 N ATOM 829 CA ASP A 52 -0.029 9.415 -3.607 1.00 0.65 C ATOM 830 C ASP A 52 1.267 9.809 -4.227 1.00 0.60 C ATOM 831 O ASP A 52 2.056 8.951 -4.623 1.00 0.62 O ATOM 832 CB ASP A 52 -1.254 9.878 -4.413 1.00 0.81 C ATOM 833 CG ASP A 52 -2.556 9.454 -3.749 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.898 9.859 -2.606 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.368 8.712 -4.364 1.00 1.44 O ATOM 0 H ASP A 52 -1.251 10.093 -2.157 1.00 0.66 H new ATOM 0 HA ASP A 52 0.123 8.336 -3.626 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.234 10.963 -4.515 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.206 9.462 -5.419 1.00 0.81 H new ATOM 840 N GLY A 53 1.626 11.105 -4.251 1.00 0.68 N ATOM 841 CA GLY A 53 2.889 11.689 -4.581 1.00 0.73 C ATOM 842 C GLY A 53 4.083 11.603 -3.694 1.00 0.72 C ATOM 843 O GLY A 53 5.127 12.119 -4.091 1.00 0.97 O ATOM 0 H GLY A 53 0.947 11.826 -4.010 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.185 11.263 -5.539 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.704 12.750 -4.748 1.00 0.73 H new ATOM 847 N ARG A 54 4.063 10.836 -2.590 1.00 0.64 N ATOM 848 CA ARG A 54 5.179 10.456 -1.779 1.00 0.63 C ATOM 849 C ARG A 54 5.677 9.092 -2.112 1.00 0.59 C ATOM 850 O ARG A 54 5.032 8.435 -2.928 1.00 0.62 O ATOM 851 CB ARG A 54 4.962 10.648 -0.269 1.00 0.69 C ATOM 852 CG ARG A 54 4.747 12.081 0.221 1.00 0.82 C ATOM 853 CD ARG A 54 6.033 12.896 0.379 1.00 1.18 C ATOM 854 NE ARG A 54 5.596 14.233 0.869 1.00 1.50 N ATOM 855 CZ ARG A 54 6.474 15.176 1.321 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.823 14.963 1.334 1.00 2.49 N ATOM 857 NH2 ARG A 54 6.052 16.327 1.922 1.00 2.48 N ATOM 0 H ARG A 54 3.189 10.448 -2.235 1.00 0.64 H new ATOM 0 HA ARG A 54 5.968 11.162 -2.037 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.097 10.054 0.028 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.826 10.237 0.253 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.089 12.596 -0.479 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.231 12.050 1.181 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.714 12.422 1.086 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.564 12.979 -0.569 1.00 1.18 H new ATOM 0 HE ARG A 54 4.600 14.453 0.867 1.00 1.50 H new ATOM 0 HH11 ARG A 54 8.203 14.078 0.999 1.00 2.49 H new ATOM 0 HH12 ARG A 54 8.451 15.689 1.679 1.00 2.49 H new ATOM 0 HH21 ARG A 54 5.055 16.502 2.044 1.00 2.48 H new ATOM 0 HH22 ARG A 54 6.734 17.011 2.249 1.00 2.48 H new ATOM 871 N THR A 55 6.874 8.752 -1.602 1.00 0.63 N ATOM 872 CA THR A 55 7.484 7.483 -1.853 1.00 0.61 C ATOM 873 C THR A 55 7.559 6.534 -0.706 1.00 0.59 C ATOM 874 O THR A 55 7.392 6.960 0.436 1.00 0.64 O ATOM 875 CB THR A 55 8.792 7.438 -2.585 1.00 0.68 C ATOM 876 OG1 THR A 55 9.908 7.855 -1.812 1.00 0.75 O ATOM 877 CG2 THR A 55 8.650 8.391 -3.784 1.00 0.76 C ATOM 0 H THR A 55 7.427 9.368 -1.006 1.00 0.63 H new ATOM 0 HA THR A 55 6.722 7.144 -2.555 1.00 0.61 H new ATOM 0 HB THR A 55 8.988 6.402 -2.863 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.787 8.789 -1.540 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.578 8.398 -4.355 1.00 0.76 H new ATOM 0 HG22 THR A 55 7.833 8.054 -4.422 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.438 9.398 -3.425 1.00 0.76 H new ATOM 885 N LEU A 56 7.866 5.244 -0.930 1.00 0.58 N ATOM 886 CA LEU A 56 8.132 4.237 0.050 1.00 0.59 C ATOM 887 C LEU A 56 9.328 4.574 0.873 1.00 0.64 C ATOM 888 O LEU A 56 9.400 4.456 2.095 1.00 0.70 O ATOM 889 CB LEU A 56 8.237 2.876 -0.658 1.00 0.60 C ATOM 890 CG LEU A 56 6.921 2.474 -1.344 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.194 1.273 -2.265 1.00 1.05 C ATOM 892 CD2 LEU A 56 5.725 2.154 -0.431 1.00 1.03 C ATOM 0 H LEU A 56 7.933 4.876 -1.879 1.00 0.58 H new ATOM 0 HA LEU A 56 7.309 4.183 0.763 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.034 2.915 -1.400 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.515 2.112 0.068 1.00 0.60 H new ATOM 0 HG LEU A 56 6.607 3.367 -1.885 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.269 0.976 -2.759 1.00 1.05 H new ATOM 0 HD12 LEU A 56 7.934 1.551 -3.016 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.573 0.440 -1.673 1.00 1.05 H new ATOM 0 HD21 LEU A 56 4.863 1.886 -1.041 1.00 1.03 H new ATOM 0 HD22 LEU A 56 5.980 1.320 0.223 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.484 3.029 0.173 1.00 1.03 H new ATOM 904 N SER A 57 10.325 5.206 0.227 1.00 0.68 N ATOM 905 CA SER A 57 11.570 5.636 0.783 1.00 0.75 C ATOM 906 C SER A 57 11.454 6.863 1.620 1.00 0.76 C ATOM 907 O SER A 57 12.116 6.993 2.648 1.00 0.84 O ATOM 908 CB SER A 57 12.650 5.968 -0.261 1.00 0.84 C ATOM 909 OG SER A 57 13.948 5.978 0.315 1.00 1.19 O ATOM 0 H SER A 57 10.252 5.434 -0.765 1.00 0.68 H new ATOM 0 HA SER A 57 11.860 4.769 1.377 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.615 5.236 -1.067 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.441 6.941 -0.705 1.00 0.84 H new ATOM 0 HG SER A 57 14.611 6.191 -0.375 1.00 1.19 H new ATOM 915 N ASP A 58 10.535 7.785 1.280 1.00 0.75 N ATOM 916 CA ASP A 58 10.078 8.877 2.083 1.00 0.78 C ATOM 917 C ASP A 58 9.528 8.471 3.406 1.00 0.77 C ATOM 918 O ASP A 58 9.872 9.137 4.381 1.00 0.86 O ATOM 919 CB ASP A 58 8.935 9.680 1.440 1.00 0.83 C ATOM 920 CG ASP A 58 9.425 10.464 0.230 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.544 11.033 0.323 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.911 10.374 -0.917 1.00 1.86 O ATOM 0 H ASP A 58 10.076 7.763 0.370 1.00 0.75 H new ATOM 0 HA ASP A 58 10.989 9.467 2.188 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.136 9.003 1.138 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.511 10.366 2.174 1.00 0.83 H new ATOM 927 N TYR A 59 8.658 7.453 3.530 1.00 0.72 N ATOM 928 CA TYR A 59 8.117 7.059 4.793 1.00 0.73 C ATOM 929 C TYR A 59 9.007 6.121 5.534 1.00 0.76 C ATOM 930 O TYR A 59 8.725 5.844 6.699 1.00 0.89 O ATOM 931 CB TYR A 59 6.754 6.382 4.569 1.00 0.73 C ATOM 932 CG TYR A 59 5.707 7.276 3.999 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.166 8.272 4.776 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.279 7.233 2.693 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.268 9.187 4.279 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.328 8.051 2.131 1.00 0.70 C ATOM 937 CZ TYR A 59 3.934 9.084 2.948 1.00 0.74 C ATOM 938 OH TYR A 59 2.996 9.965 2.370 1.00 0.86 O ATOM 0 H TYR A 59 8.326 6.896 2.743 1.00 0.72 H new ATOM 0 HA TYR A 59 8.015 7.961 5.397 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.890 5.531 3.901 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.398 5.987 5.520 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.457 8.338 5.814 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.730 6.490 2.052 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.842 9.955 4.908 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.928 7.897 1.140 1.00 0.70 H new ATOM 0 HH TYR A 59 3.029 10.828 2.834 1.00 0.86 H new ATOM 948 N ASN A 60 10.078 5.604 4.908 1.00 0.74 N ATOM 949 CA ASN A 60 11.075 4.768 5.504 1.00 0.79 C ATOM 950 C ASN A 60 10.675 3.336 5.596 1.00 0.75 C ATOM 951 O ASN A 60 10.797 2.663 6.619 1.00 0.86 O ATOM 952 CB ASN A 60 11.892 5.341 6.674 1.00 0.95 C ATOM 953 CG ASN A 60 12.393 6.749 6.386 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.814 7.666 6.967 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.342 6.928 5.429 1.00 1.83 N ATOM 0 H ASN A 60 10.260 5.782 3.920 1.00 0.74 H new ATOM 0 HA ASN A 60 11.871 4.776 4.759 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.277 5.352 7.574 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.741 4.689 6.877 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.615 7.871 5.151 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.781 6.119 4.989 1.00 1.83 H new ATOM 962 N ILE A 61 10.142 2.854 4.459 1.00 0.67 N ATOM 963 CA ILE A 61 9.675 1.516 4.267 1.00 0.65 C ATOM 964 C ILE A 61 10.666 0.616 3.614 1.00 0.66 C ATOM 965 O ILE A 61 11.068 0.825 2.470 1.00 0.75 O ATOM 966 CB ILE A 61 8.374 1.436 3.524 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.372 2.434 4.129 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.786 0.015 3.527 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.050 2.628 3.386 1.00 0.82 C ATOM 0 H ILE A 61 10.031 3.432 3.626 1.00 0.67 H new ATOM 0 HA ILE A 61 9.516 1.162 5.286 1.00 0.65 H new ATOM 0 HB ILE A 61 8.569 1.695 2.483 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.145 2.112 5.145 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.864 3.404 4.204 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.845 0.009 2.977 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.488 -0.670 3.052 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.608 -0.303 4.554 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.437 3.356 3.918 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.249 2.989 2.377 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.520 1.677 3.333 1.00 0.82 H new ATOM 981 N GLN A 62 11.093 -0.465 4.290 1.00 0.67 N ATOM 982 CA GLN A 62 12.119 -1.326 3.788 1.00 0.70 C ATOM 983 C GLN A 62 11.475 -2.648 3.546 1.00 0.62 C ATOM 984 O GLN A 62 10.278 -2.792 3.791 1.00 0.64 O ATOM 985 CB GLN A 62 13.198 -1.477 4.874 1.00 0.85 C ATOM 986 CG GLN A 62 13.851 -0.123 5.160 1.00 1.27 C ATOM 987 CD GLN A 62 15.001 -0.228 6.152 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.707 -0.321 7.343 1.00 2.08 O ATOM 989 NE2 GLN A 62 16.296 -0.225 5.739 1.00 2.16 N ATOM 0 H GLN A 62 10.721 -0.746 5.197 1.00 0.67 H new ATOM 0 HA GLN A 62 12.575 -0.936 2.878 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.753 -1.875 5.786 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.954 -2.192 4.550 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.218 0.304 4.227 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.100 0.564 5.551 1.00 1.27 H new ATOM 0 HE21 GLN A 62 16.514 -0.147 4.746 1.00 2.16 H new ATOM 0 HE22 GLN A 62 17.049 -0.301 6.422 1.00 2.16 H new ATOM 998 N LYS A 63 12.272 -3.628 3.085 1.00 0.64 N ATOM 999 CA LYS A 63 11.907 -4.969 2.748 1.00 0.62 C ATOM 1000 C LYS A 63 11.374 -5.767 3.888 1.00 0.59 C ATOM 1001 O LYS A 63 11.701 -5.442 5.028 1.00 0.66 O ATOM 1002 CB LYS A 63 13.105 -5.787 2.239 1.00 0.74 C ATOM 1003 CG LYS A 63 14.194 -5.914 3.306 1.00 0.89 C ATOM 1004 CD LYS A 63 15.359 -6.677 2.672 1.00 1.11 C ATOM 1005 CE LYS A 63 16.464 -7.073 3.655 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.926 -7.993 4.681 1.00 2.12 N ATOM 0 H LYS A 63 13.267 -3.463 2.935 1.00 0.64 H new ATOM 0 HA LYS A 63 11.139 -4.822 1.988 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.768 -6.780 1.942 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.519 -5.312 1.350 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.517 -4.930 3.645 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.817 -6.444 4.180 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.972 -7.578 2.197 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.794 -6.063 1.883 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.283 -7.552 3.119 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.873 -6.183 4.132 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.610 -8.756 4.856 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.759 -7.469 5.564 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.030 -8.401 4.346 1.00 2.12 H new ATOM 1020 N GLU A 64 10.506 -6.758 3.620 1.00 0.57 N ATOM 1021 CA GLU A 64 9.950 -7.640 4.599 1.00 0.58 C ATOM 1022 C GLU A 64 9.062 -6.896 5.536 1.00 0.56 C ATOM 1023 O GLU A 64 8.807 -7.245 6.688 1.00 0.70 O ATOM 1024 CB GLU A 64 11.045 -8.478 5.280 1.00 0.72 C ATOM 1025 CG GLU A 64 11.759 -9.351 4.247 1.00 0.96 C ATOM 1026 CD GLU A 64 13.106 -9.918 4.675 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.194 -10.529 5.773 1.00 1.69 O ATOM 1028 OE2 GLU A 64 14.121 -9.615 3.994 1.00 1.71 O ATOM 0 H GLU A 64 10.176 -6.954 2.675 1.00 0.57 H new ATOM 0 HA GLU A 64 9.306 -8.368 4.105 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.763 -7.822 5.771 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.604 -9.105 6.055 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.103 -10.181 3.986 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.905 -8.763 3.341 1.00 0.96 H new ATOM 1035 N SER A 65 8.395 -5.798 5.137 1.00 0.51 N ATOM 1036 CA SER A 65 7.571 -4.935 5.924 1.00 0.51 C ATOM 1037 C SER A 65 6.142 -5.168 5.577 1.00 0.43 C ATOM 1038 O SER A 65 5.798 -5.658 4.502 1.00 0.50 O ATOM 1039 CB SER A 65 7.863 -3.458 5.605 1.00 0.65 C ATOM 1040 OG SER A 65 7.710 -3.183 4.221 1.00 1.04 O ATOM 0 H SER A 65 8.439 -5.487 4.167 1.00 0.51 H new ATOM 0 HA SER A 65 7.776 -5.146 6.973 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.191 -2.821 6.180 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.878 -3.212 5.916 1.00 0.65 H new ATOM 0 HG SER A 65 8.528 -2.768 3.878 1.00 1.04 H new ATOM 1046 N THR A 66 5.256 -4.937 6.563 1.00 0.45 N ATOM 1047 CA THR A 66 3.834 -5.074 6.502 1.00 0.45 C ATOM 1048 C THR A 66 3.205 -3.728 6.383 1.00 0.43 C ATOM 1049 O THR A 66 3.389 -2.786 7.153 1.00 0.58 O ATOM 1050 CB THR A 66 3.100 -5.735 7.631 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.588 -7.053 7.832 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.590 -5.829 7.358 1.00 0.78 C ATOM 0 H THR A 66 5.565 -4.627 7.484 1.00 0.45 H new ATOM 0 HA THR A 66 3.735 -5.742 5.646 1.00 0.45 H new ATOM 0 HB THR A 66 3.267 -5.120 8.515 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.102 -7.472 8.572 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.097 -6.314 8.201 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.181 -4.827 7.226 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.419 -6.412 6.453 1.00 0.78 H new ATOM 1060 N LEU A 67 2.424 -3.536 5.306 1.00 0.38 N ATOM 1061 CA LEU A 67 1.670 -2.352 5.029 1.00 0.38 C ATOM 1062 C LEU A 67 0.241 -2.741 5.194 1.00 0.37 C ATOM 1063 O LEU A 67 -0.194 -3.863 4.938 1.00 0.50 O ATOM 1064 CB LEU A 67 1.771 -1.920 3.557 1.00 0.46 C ATOM 1065 CG LEU A 67 2.960 -0.985 3.282 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.277 -1.763 3.434 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.713 -0.250 1.953 1.00 1.31 C ATOM 0 H LEU A 67 2.312 -4.249 4.586 1.00 0.38 H new ATOM 0 HA LEU A 67 2.033 -1.553 5.675 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.862 -2.807 2.930 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.848 -1.418 3.268 1.00 0.46 H new ATOM 0 HG LEU A 67 3.057 -0.186 4.017 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.118 -1.097 3.238 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.353 -2.155 4.448 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.296 -2.589 2.723 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.549 0.417 1.745 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.620 -0.978 1.147 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.794 0.332 2.024 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.604 -1.822 5.693 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.989 -2.135 5.872 1.00 0.37 C ATOM 1081 C HIS A 68 -2.728 -1.534 4.726 1.00 0.35 C ATOM 1082 O HIS A 68 -2.421 -0.418 4.310 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.471 -1.608 7.234 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.705 -2.315 8.313 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.610 -3.680 8.497 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -0.976 -1.798 9.339 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.876 -3.880 9.623 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.426 -2.761 10.161 1.00 1.51 N ATOM 0 H HIS A 68 -0.336 -0.877 5.969 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.166 -3.211 5.881 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.315 -0.531 7.301 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.540 -1.783 7.351 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.841 -0.738 9.495 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.680 -4.858 10.037 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.175 -2.639 10.976 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.683 -2.245 4.100 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.504 -1.692 3.069 1.00 0.38 C ATOM 1098 C LEU A 69 -5.907 -1.639 3.569 1.00 0.41 C ATOM 1099 O LEU A 69 -6.461 -2.673 3.941 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.365 -2.641 1.867 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.525 -2.611 0.858 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.824 -1.266 0.177 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.325 -3.658 -0.250 1.00 1.14 C ATOM 0 H LEU A 69 -3.888 -3.221 4.314 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.215 -0.681 2.782 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.442 -2.398 1.340 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.259 -3.659 2.241 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.385 -2.829 1.491 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.663 -1.384 -0.509 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -6.076 -0.523 0.934 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.946 -0.936 -0.378 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.161 -3.613 -0.948 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.396 -3.452 -0.782 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.276 -4.652 0.194 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.498 -0.432 3.543 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.870 -0.298 3.923 1.00 0.56 C ATOM 1117 C VAL A 70 -8.563 -0.095 2.619 1.00 0.55 C ATOM 1118 O VAL A 70 -8.191 0.756 1.813 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.988 0.842 4.889 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.450 1.251 5.139 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.415 0.332 6.222 1.00 0.97 C ATOM 0 H VAL A 70 -6.038 0.435 3.265 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.309 -1.147 4.447 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.465 1.709 4.485 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.480 2.080 5.846 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.908 1.559 4.199 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.000 0.404 5.550 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.474 1.123 6.970 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.991 -0.530 6.559 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.374 0.041 6.083 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.680 -0.828 2.465 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.577 -0.737 1.355 1.00 0.84 C ATOM 1133 C LEU A 71 -11.733 0.157 1.644 1.00 0.85 C ATOM 1134 O LEU A 71 -12.299 0.259 2.731 1.00 1.03 O ATOM 1135 CB LEU A 71 -10.994 -2.184 1.043 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.797 -2.471 -0.237 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.932 -2.190 -1.477 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -12.252 -3.939 -0.224 1.00 2.78 C ATOM 0 H LEU A 71 -9.973 -1.522 3.153 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.102 -0.280 0.487 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -10.086 -2.786 1.004 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.581 -2.546 1.887 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.671 -1.821 -0.275 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.510 -2.396 -2.378 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.623 -1.145 -1.476 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.050 -2.829 -1.458 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -12.822 -4.151 -1.128 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.379 -4.590 -0.185 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -12.878 -4.118 0.650 1.00 2.78 H new