USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 NoAdj-H: A 51 LYS H : A 51 LYS N : A 50 GLU OE1 :(H bumps) USER MOD Set 1.1: A 62 GLN : amide:sc= -0.915 K(o=-1.8,f=-8.3!) USER MOD Set 1.2: A 65 GLN : amide:sc= -0.888 K(o=-1.8,f=-3.7!) USER MOD Set 2.1: A 21 HIS : no HD1:sc= -4.86! C(o=-5.2!,f=-3.6!) USER MOD Set 2.2: A 53 ASN : amide:sc= -0.334 K(o=-5.2,f=-11!) USER MOD Single : A 9 MET CE :methyl -175:sc= 0 (180deg=-0.0344) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.036) USER MOD Single : A 18 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-0.027) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.16! K(o=-2.2!,f=-1.4) USER MOD Single : A 33 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.044) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.086) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.87!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.544 -6.687 3.508 1.00 1.18 N ATOM 59 CA MET A 9 -13.255 -6.026 3.342 1.00 0.82 C ATOM 60 C MET A 9 -12.568 -6.515 2.075 1.00 0.72 C ATOM 61 O MET A 9 -12.654 -7.692 1.725 1.00 0.97 O ATOM 62 CB MET A 9 -12.366 -6.301 4.551 1.00 1.08 C ATOM 63 CG MET A 9 -13.095 -6.017 5.862 1.00 1.61 C ATOM 64 SD MET A 9 -12.015 -6.153 7.297 1.00 2.27 S ATOM 65 CE MET A 9 -11.818 -7.939 7.403 1.00 2.82 C ATOM 0 HA MET A 9 -13.424 -4.952 3.259 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.039 -7.341 4.534 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.469 -5.684 4.492 1.00 1.08 H new ATOM 0 HG2 MET A 9 -13.522 -5.015 5.827 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.926 -6.714 5.970 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.246 -8.190 8.297 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.799 -8.411 7.456 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.289 -8.300 6.521 1.00 2.82 H new ATOM 75 N ASP A 10 -11.884 -5.606 1.388 1.00 0.49 N ATOM 76 CA ASP A 10 -11.181 -5.945 0.156 1.00 0.42 C ATOM 77 C ASP A 10 -9.689 -5.676 0.306 1.00 0.38 C ATOM 78 O ASP A 10 -9.285 -4.596 0.736 1.00 0.54 O ATOM 79 CB ASP A 10 -11.742 -5.133 -1.007 1.00 0.44 C ATOM 80 CG ASP A 10 -13.178 -5.552 -1.302 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.735 -6.357 -0.527 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.742 -5.073 -2.309 1.00 1.53 O ATOM 0 H ASP A 10 -11.802 -4.628 1.664 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.327 -7.006 -0.048 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.708 -4.070 -0.767 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.124 -5.279 -1.893 1.00 0.44 H new ATOM 87 N TYR A 11 -8.872 -6.664 -0.050 1.00 0.40 N ATOM 88 CA TYR A 11 -7.423 -6.530 0.051 1.00 0.37 C ATOM 89 C TYR A 11 -6.756 -6.847 -1.282 1.00 0.34 C ATOM 90 O TYR A 11 -7.276 -7.626 -2.080 1.00 0.38 O ATOM 91 CB TYR A 11 -6.886 -7.461 1.136 1.00 0.42 C ATOM 92 CG TYR A 11 -6.959 -8.919 0.755 1.00 0.48 C ATOM 93 CD1 TYR A 11 -5.949 -9.492 0.001 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.034 -9.690 1.159 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.015 -10.830 -0.348 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.100 -11.028 0.810 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.091 -11.592 0.058 1.00 0.67 C ATOM 98 OH TYR A 11 -7.157 -12.923 -0.288 1.00 0.78 O ATOM 0 H TYR A 11 -9.189 -7.564 -0.410 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.192 -5.498 0.316 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.850 -7.199 1.351 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.451 -7.303 2.054 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.108 -8.894 -0.316 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -8.824 -9.247 1.748 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.227 -11.276 -0.936 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -8.940 -11.629 1.126 1.00 0.63 H new ATOM 0 HH TYR A 11 -7.977 -13.316 0.077 1.00 0.78 H new ATOM 108 N VAL A 12 -5.597 -6.238 -1.512 1.00 0.34 N ATOM 109 CA VAL A 12 -4.847 -6.451 -2.746 1.00 0.34 C ATOM 110 C VAL A 12 -3.353 -6.406 -2.472 1.00 0.35 C ATOM 111 O VAL A 12 -2.921 -6.034 -1.382 1.00 0.51 O ATOM 112 CB VAL A 12 -5.210 -5.406 -3.810 1.00 0.38 C ATOM 113 CG1 VAL A 12 -6.160 -6.011 -4.838 1.00 0.81 C ATOM 114 CG2 VAL A 12 -5.810 -4.139 -3.197 1.00 0.52 C ATOM 0 H VAL A 12 -5.155 -5.591 -0.858 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.115 -7.436 -3.128 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.287 -5.110 -4.308 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.411 -5.261 -5.588 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.679 -6.861 -5.322 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -7.070 -6.345 -4.340 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -6.050 -3.430 -3.989 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -6.718 -4.394 -2.651 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.090 -3.689 -2.514 1.00 0.52 H new ATOM 124 N GLU A 13 -2.568 -6.800 -3.466 1.00 0.49 N ATOM 125 CA GLU A 13 -1.114 -6.818 -3.335 1.00 0.54 C ATOM 126 C GLU A 13 -0.459 -6.167 -4.547 1.00 0.50 C ATOM 127 O GLU A 13 -0.843 -6.429 -5.687 1.00 0.60 O ATOM 128 CB GLU A 13 -0.609 -8.257 -3.190 1.00 0.67 C ATOM 129 CG GLU A 13 -1.612 -9.153 -2.461 1.00 1.05 C ATOM 130 CD GLU A 13 -1.211 -10.615 -2.598 1.00 1.43 C ATOM 131 OE1 GLU A 13 -1.360 -11.173 -3.706 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.747 -11.202 -1.597 1.00 2.05 O ATOM 0 H GLU A 13 -2.913 -7.112 -4.374 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.847 -6.253 -2.442 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.407 -8.670 -4.178 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.336 -8.255 -2.646 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.656 -8.878 -1.407 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.610 -9.003 -2.872 1.00 1.05 H new ATOM 139 N ILE A 14 0.537 -5.323 -4.295 1.00 0.48 N ATOM 140 CA ILE A 14 1.252 -4.638 -5.366 1.00 0.49 C ATOM 141 C ILE A 14 2.725 -5.029 -5.353 1.00 0.48 C ATOM 142 O ILE A 14 3.357 -5.067 -4.297 1.00 0.43 O ATOM 143 CB ILE A 14 1.112 -3.128 -5.211 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.592 -2.682 -3.833 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.330 -2.690 -5.443 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.653 -1.162 -3.724 1.00 0.63 C ATOM 0 H ILE A 14 0.867 -5.097 -3.357 1.00 0.48 H new ATOM 0 HA ILE A 14 0.818 -4.937 -6.320 1.00 0.49 H new ATOM 0 HB ILE A 14 1.738 -2.651 -5.965 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.922 -3.075 -3.069 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.579 -3.101 -3.638 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.405 -1.609 -5.327 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.637 -2.969 -6.451 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.980 -3.179 -4.717 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.999 -0.882 -2.729 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.343 -0.771 -4.471 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.660 -0.745 -3.894 1.00 0.63 H new ATOM 158 N ASN A 15 3.264 -5.322 -6.531 1.00 0.59 N ATOM 159 CA ASN A 15 4.662 -5.715 -6.660 1.00 0.62 C ATOM 160 C ASN A 15 5.583 -4.521 -6.449 1.00 0.60 C ATOM 161 O ASN A 15 5.409 -3.473 -7.071 1.00 0.78 O ATOM 162 CB ASN A 15 4.909 -6.321 -8.037 1.00 0.79 C ATOM 163 CG ASN A 15 6.205 -7.117 -8.040 1.00 1.31 C ATOM 164 OD1 ASN A 15 7.090 -6.883 -8.865 1.00 2.20 O ATOM 165 ND2 ASN A 15 6.321 -8.063 -7.117 1.00 1.54 N ATOM 0 H ASN A 15 2.752 -5.295 -7.413 1.00 0.59 H new ATOM 0 HA ASN A 15 4.880 -6.459 -5.894 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.076 -6.969 -8.311 1.00 0.79 H new ATOM 0 HB3 ASN A 15 4.958 -5.531 -8.786 1.00 0.79 H new ATOM 0 HD21 ASN A 15 7.168 -8.630 -7.071 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.563 -8.223 -6.453 1.00 1.54 H new ATOM 172 N ILE A 16 6.568 -4.690 -5.573 1.00 0.49 N ATOM 173 CA ILE A 16 7.528 -3.632 -5.280 1.00 0.49 C ATOM 174 C ILE A 16 8.944 -4.193 -5.286 1.00 0.56 C ATOM 175 O ILE A 16 9.146 -5.396 -5.125 1.00 0.66 O ATOM 176 CB ILE A 16 7.214 -3.005 -3.923 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.824 -2.375 -3.933 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.267 -1.966 -3.542 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.680 -1.349 -5.054 1.00 0.84 C ATOM 0 H ILE A 16 6.723 -5.553 -5.052 1.00 0.49 H new ATOM 0 HA ILE A 16 7.454 -2.863 -6.049 1.00 0.49 H new ATOM 0 HB ILE A 16 7.232 -3.797 -3.174 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.072 -3.154 -4.053 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.635 -1.895 -2.973 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.019 -1.535 -2.572 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.246 -2.443 -3.488 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.289 -1.177 -4.294 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.678 -0.922 -5.030 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.416 -0.556 -4.918 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.844 -1.835 -6.016 1.00 0.84 H new ATOM 191 N ASP A 17 9.925 -3.316 -5.479 1.00 0.63 N ATOM 192 CA ASP A 17 11.324 -3.729 -5.514 1.00 0.75 C ATOM 193 C ASP A 17 12.228 -2.631 -4.969 1.00 1.00 C ATOM 194 O ASP A 17 12.923 -2.825 -3.972 1.00 1.75 O ATOM 195 CB ASP A 17 11.730 -4.062 -6.945 1.00 1.27 C ATOM 196 CG ASP A 17 12.882 -5.059 -6.956 1.00 1.63 C ATOM 197 OD1 ASP A 17 13.335 -5.457 -5.862 1.00 2.16 O ATOM 198 OD2 ASP A 17 13.331 -5.438 -8.058 1.00 2.21 O ATOM 0 H ASP A 17 9.777 -2.316 -5.613 1.00 0.63 H new ATOM 0 HA ASP A 17 11.435 -4.613 -4.887 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.878 -4.476 -7.484 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.025 -3.151 -7.467 1.00 1.27 H new ATOM 203 N HIS A 18 12.218 -1.480 -5.634 1.00 1.27 N ATOM 204 CA HIS A 18 13.040 -0.347 -5.222 1.00 1.85 C ATOM 205 C HIS A 18 12.850 -0.057 -3.740 1.00 1.32 C ATOM 206 O HIS A 18 12.092 -0.743 -3.055 1.00 2.00 O ATOM 207 CB HIS A 18 12.678 0.886 -6.043 1.00 2.83 C ATOM 208 CG HIS A 18 12.728 0.639 -7.519 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.833 0.893 -8.288 1.00 4.01 N ATOM 210 CD2 HIS A 18 11.802 0.154 -8.387 1.00 4.16 C ATOM 211 CE1 HIS A 18 13.613 0.587 -9.545 1.00 4.73 C ATOM 212 NE2 HIS A 18 12.375 0.131 -9.645 1.00 4.84 N ATOM 0 H HIS A 18 11.648 -1.307 -6.462 1.00 1.27 H new ATOM 0 HA HIS A 18 14.086 -0.599 -5.395 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.676 1.217 -5.769 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.362 1.697 -5.792 1.00 2.83 H new ATOM 0 HD2 HIS A 18 10.798 -0.158 -8.139 1.00 4.16 H new ATOM 0 HE1 HIS A 18 14.319 0.689 -10.356 1.00 4.73 H new ATOM 0 HE2 HIS A 18 11.921 -0.183 -10.503 1.00 4.84 H new ATOM 220 N LYS A 19 13.540 0.967 -3.249 1.00 0.82 N ATOM 221 CA LYS A 19 13.446 1.350 -1.846 1.00 0.84 C ATOM 222 C LYS A 19 12.111 2.032 -1.565 1.00 0.77 C ATOM 223 O LYS A 19 12.071 3.194 -1.162 1.00 1.13 O ATOM 224 CB LYS A 19 14.595 2.288 -1.484 1.00 1.47 C ATOM 225 CG LYS A 19 14.647 3.498 -2.413 1.00 1.97 C ATOM 226 CD LYS A 19 15.371 4.675 -1.765 1.00 2.72 C ATOM 227 CE LYS A 19 16.823 4.764 -2.225 1.00 3.37 C ATOM 228 NZ LYS A 19 17.483 5.993 -1.701 1.00 4.03 N ATOM 0 H LYS A 19 14.171 1.547 -3.803 1.00 0.82 H new ATOM 0 HA LYS A 19 13.512 0.449 -1.236 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.480 2.624 -0.454 1.00 1.47 H new ATOM 0 HB3 LYS A 19 15.539 1.746 -1.539 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.153 3.225 -3.339 1.00 1.97 H new ATOM 0 HG3 LYS A 19 13.633 3.796 -2.680 1.00 1.97 H new ATOM 0 HD2 LYS A 19 14.853 5.602 -2.012 1.00 2.72 H new ATOM 0 HD3 LYS A 19 15.338 4.571 -0.681 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.369 3.883 -1.886 1.00 3.37 H new ATOM 0 HE3 LYS A 19 16.862 4.764 -3.314 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.469 6.025 -2.031 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 16.975 6.833 -2.045 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.466 5.980 -0.661 1.00 4.03 H new ATOM 242 N PHE A 20 11.020 1.301 -1.779 1.00 0.63 N ATOM 243 CA PHE A 20 9.683 1.839 -1.547 1.00 0.61 C ATOM 244 C PHE A 20 9.312 1.737 -0.073 1.00 0.62 C ATOM 245 O PHE A 20 8.994 2.740 0.566 1.00 0.95 O ATOM 246 CB PHE A 20 8.663 1.080 -2.392 1.00 0.62 C ATOM 247 CG PHE A 20 8.152 1.883 -3.561 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.038 2.553 -4.387 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.792 1.953 -3.812 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.569 3.289 -5.460 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.322 2.691 -4.885 1.00 1.17 C ATOM 252 CZ PHE A 20 7.210 3.359 -5.709 1.00 1.19 C ATOM 0 H PHE A 20 11.035 0.337 -2.112 1.00 0.63 H new ATOM 0 HA PHE A 20 9.678 2.890 -1.835 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.117 0.160 -2.761 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.822 0.790 -1.762 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.099 2.501 -4.193 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.097 1.431 -3.170 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.264 3.809 -6.103 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.261 2.745 -5.079 1.00 1.17 H new ATOM 0 HZ PHE A 20 6.843 3.935 -6.546 1.00 1.19 H new ATOM 262 N HIS A 21 9.354 0.519 0.461 1.00 0.53 N ATOM 263 CA HIS A 21 9.022 0.282 1.864 1.00 0.57 C ATOM 264 C HIS A 21 9.757 1.264 2.763 1.00 0.69 C ATOM 265 O HIS A 21 9.139 2.025 3.505 1.00 1.03 O ATOM 266 CB HIS A 21 9.406 -1.138 2.259 1.00 0.54 C ATOM 267 CG HIS A 21 8.606 -2.183 1.544 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.283 -3.394 2.100 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.042 -2.205 0.309 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.567 -4.117 1.272 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.398 -3.420 0.160 1.00 0.42 N ATOM 0 H HIS A 21 9.615 -0.320 -0.057 1.00 0.53 H new ATOM 0 HA HIS A 21 7.948 0.421 1.986 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.465 -1.293 2.050 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.272 -1.259 3.334 1.00 0.54 H new ATOM 0 HD2 HIS A 21 8.088 -1.415 -0.426 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.183 -5.108 1.464 1.00 0.45 H new ATOM 0 HE2 HIS A 21 6.882 -3.726 -0.665 1.00 0.42 H new ATOM 279 N ARG A 22 11.081 1.231 2.689 1.00 0.68 N ATOM 280 CA ARG A 22 11.924 2.104 3.494 1.00 0.80 C ATOM 281 C ARG A 22 11.498 3.565 3.366 1.00 0.81 C ATOM 282 O ARG A 22 11.817 4.388 4.224 1.00 0.92 O ATOM 283 CB ARG A 22 13.380 1.958 3.068 1.00 0.93 C ATOM 284 CG ARG A 22 14.114 0.925 3.918 1.00 1.64 C ATOM 285 CD ARG A 22 15.337 0.371 3.195 1.00 2.14 C ATOM 286 NE ARG A 22 15.072 -0.978 2.711 1.00 2.73 N ATOM 287 CZ ARG A 22 15.012 -1.255 1.412 1.00 3.33 C ATOM 288 NH1 ARG A 22 15.983 -0.857 0.603 1.00 3.72 N ATOM 289 NH2 ARG A 22 13.979 -1.927 0.922 1.00 3.95 N ATOM 0 H ARG A 22 11.598 0.603 2.074 1.00 0.68 H new ATOM 0 HA ARG A 22 11.813 1.806 4.537 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.425 1.665 2.019 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.882 2.922 3.152 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.422 1.380 4.859 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.436 0.108 4.166 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.598 1.020 2.359 1.00 2.14 H new ATOM 0 HD3 ARG A 22 16.193 0.361 3.870 1.00 2.14 H new ATOM 0 HE ARG A 22 14.929 -1.729 3.386 1.00 2.73 H new ATOM 0 HH11 ARG A 22 16.777 -0.338 0.977 1.00 3.72 H new ATOM 0 HH12 ARG A 22 15.936 -1.070 -0.393 1.00 3.72 H new ATOM 0 HH21 ARG A 22 13.229 -2.232 1.542 1.00 3.95 H new ATOM 0 HH22 ARG A 22 13.935 -2.139 -0.075 1.00 3.95 H new ATOM 303 N HIS A 23 10.799 3.890 2.284 1.00 0.90 N ATOM 304 CA HIS A 23 10.352 5.256 2.038 1.00 0.98 C ATOM 305 C HIS A 23 8.875 5.449 2.377 1.00 0.96 C ATOM 306 O HIS A 23 8.370 6.568 2.325 1.00 1.12 O ATOM 307 CB HIS A 23 10.576 5.592 0.570 1.00 1.02 C ATOM 308 CG HIS A 23 11.590 6.673 0.358 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.584 6.962 1.255 1.00 1.83 N ATOM 310 CD2 HIS A 23 11.771 7.553 -0.660 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.332 7.951 0.827 1.00 2.07 C ATOM 312 NE2 HIS A 23 12.863 8.341 -0.348 1.00 1.86 N ATOM 0 H HIS A 23 10.529 3.223 1.561 1.00 0.90 H new ATOM 0 HA HIS A 23 10.929 5.919 2.683 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.898 4.693 0.044 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.629 5.899 0.126 1.00 1.02 H new ATOM 0 HD2 HIS A 23 11.169 7.625 -1.554 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.182 8.373 1.343 1.00 2.07 H new ATOM 0 HE2 HIS A 23 13.242 9.093 -0.924 1.00 1.86 H new ATOM 320 N LEU A 24 8.174 4.365 2.688 1.00 0.86 N ATOM 321 CA LEU A 24 6.745 4.447 2.993 1.00 0.87 C ATOM 322 C LEU A 24 6.421 3.976 4.409 1.00 0.97 C ATOM 323 O LEU A 24 5.404 4.378 4.975 1.00 1.16 O ATOM 324 CB LEU A 24 5.970 3.597 2.002 1.00 0.73 C ATOM 325 CG LEU A 24 6.273 3.993 0.560 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.225 2.776 -0.357 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.299 5.067 0.080 1.00 1.25 C ATOM 0 H LEU A 24 8.565 3.424 2.736 1.00 0.86 H new ATOM 0 HA LEU A 24 6.457 5.496 2.918 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.219 2.546 2.151 1.00 0.73 H new ATOM 0 HB3 LEU A 24 4.902 3.701 2.191 1.00 0.73 H new ATOM 0 HG LEU A 24 7.282 4.405 0.526 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.444 3.082 -1.380 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.965 2.045 -0.031 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.232 2.329 -0.317 1.00 0.72 H new ATOM 0 HD21 LEU A 24 5.532 5.335 -0.950 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.280 4.684 0.133 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.389 5.949 0.714 1.00 1.25 H new ATOM 339 N ILE A 25 7.270 3.103 4.955 1.00 0.92 N ATOM 340 CA ILE A 25 7.083 2.528 6.301 1.00 1.10 C ATOM 341 C ILE A 25 6.324 3.459 7.251 1.00 1.41 C ATOM 342 O ILE A 25 5.502 3.003 8.046 1.00 1.91 O ATOM 343 CB ILE A 25 8.434 2.170 6.916 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.271 3.423 7.167 1.00 0.90 C ATOM 345 CG2 ILE A 25 9.188 1.183 6.033 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.687 4.097 5.864 1.00 0.91 C ATOM 0 H ILE A 25 8.110 2.770 4.481 1.00 0.92 H new ATOM 0 HA ILE A 25 6.477 1.631 6.171 1.00 1.10 H new ATOM 0 HB ILE A 25 8.248 1.691 7.878 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.700 4.126 7.774 1.00 0.90 H new ATOM 0 HG13 ILE A 25 10.160 3.158 7.739 1.00 0.90 H new ATOM 0 HG21 ILE A 25 10.147 0.943 6.492 1.00 1.06 H new ATOM 0 HG22 ILE A 25 8.601 0.271 5.922 1.00 1.06 H new ATOM 0 HG23 ILE A 25 9.356 1.627 5.052 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.280 4.984 6.086 1.00 0.91 H new ATOM 0 HD12 ILE A 25 10.281 3.403 5.269 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.798 4.387 5.304 1.00 0.91 H new ATOM 358 N GLY A 26 6.593 4.759 7.167 1.00 1.49 N ATOM 359 CA GLY A 26 5.918 5.728 8.026 1.00 1.87 C ATOM 360 C GLY A 26 6.881 6.797 8.527 1.00 1.82 C ATOM 361 O GLY A 26 6.673 7.988 8.295 1.00 2.29 O ATOM 0 H GLY A 26 7.268 5.164 6.518 1.00 1.49 H new ATOM 0 HA2 GLY A 26 5.104 6.199 7.475 1.00 1.87 H new ATOM 0 HA3 GLY A 26 5.471 5.213 8.876 1.00 1.87 H new ATOM 365 N LYS A 27 7.936 6.368 9.220 1.00 1.86 N ATOM 366 CA LYS A 27 8.933 7.294 9.760 1.00 1.91 C ATOM 367 C LYS A 27 9.309 8.347 8.724 1.00 1.62 C ATOM 368 O LYS A 27 9.147 9.546 8.955 1.00 2.38 O ATOM 369 CB LYS A 27 10.178 6.523 10.191 1.00 2.21 C ATOM 370 CG LYS A 27 9.985 5.860 11.551 1.00 2.65 C ATOM 371 CD LYS A 27 11.275 5.863 12.366 1.00 3.30 C ATOM 372 CE LYS A 27 11.067 5.254 13.749 1.00 3.80 C ATOM 373 NZ LYS A 27 12.266 5.447 14.612 1.00 4.51 N ATOM 0 H LYS A 27 8.123 5.386 9.421 1.00 1.86 H new ATOM 0 HA LYS A 27 8.503 7.798 10.625 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.413 5.763 9.445 1.00 2.21 H new ATOM 0 HB3 LYS A 27 11.030 7.201 10.234 1.00 2.21 H new ATOM 0 HG2 LYS A 27 9.204 6.382 12.103 1.00 2.65 H new ATOM 0 HG3 LYS A 27 9.645 4.834 11.411 1.00 2.65 H new ATOM 0 HD2 LYS A 27 12.044 5.303 11.833 1.00 3.30 H new ATOM 0 HD3 LYS A 27 11.639 6.885 12.469 1.00 3.30 H new ATOM 0 HE2 LYS A 27 10.198 5.711 14.223 1.00 3.80 H new ATOM 0 HE3 LYS A 27 10.854 4.189 13.652 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 12.094 5.022 15.546 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 13.089 4.990 14.170 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 12.453 6.464 14.724 1.00 4.51 H new ATOM 387 N SER A 28 9.798 7.890 7.579 1.00 1.28 N ATOM 388 CA SER A 28 10.183 8.786 6.497 1.00 1.60 C ATOM 389 C SER A 28 9.217 8.628 5.330 1.00 1.60 C ATOM 390 O SER A 28 9.601 8.757 4.168 1.00 2.28 O ATOM 391 CB SER A 28 11.605 8.477 6.042 1.00 1.99 C ATOM 392 OG SER A 28 12.517 9.411 6.603 1.00 2.57 O ATOM 0 H SER A 28 9.938 6.900 7.375 1.00 1.28 H new ATOM 0 HA SER A 28 10.145 9.814 6.856 1.00 1.60 H new ATOM 0 HB2 SER A 28 11.879 7.466 6.343 1.00 1.99 H new ATOM 0 HB3 SER A 28 11.662 8.512 4.954 1.00 1.99 H new ATOM 0 HG SER A 28 13.426 9.200 6.304 1.00 2.57 H new ATOM 398 N GLY A 29 7.961 8.336 5.654 1.00 1.21 N ATOM 399 CA GLY A 29 6.930 8.145 4.641 1.00 1.23 C ATOM 400 C GLY A 29 6.071 9.388 4.475 1.00 1.36 C ATOM 401 O GLY A 29 6.115 10.048 3.437 1.00 2.05 O ATOM 0 H GLY A 29 7.633 8.226 6.613 1.00 1.21 H new ATOM 0 HA2 GLY A 29 7.397 7.895 3.688 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.299 7.300 4.918 1.00 1.23 H new ATOM 405 N ALA A 30 5.276 9.698 5.492 1.00 1.00 N ATOM 406 CA ALA A 30 4.397 10.857 5.440 1.00 1.10 C ATOM 407 C ALA A 30 3.516 10.788 4.197 1.00 1.06 C ATOM 408 O ALA A 30 3.056 11.812 3.691 1.00 1.43 O ATOM 409 CB ALA A 30 5.223 12.139 5.422 1.00 1.27 C ATOM 0 H ALA A 30 5.223 9.164 6.360 1.00 1.00 H new ATOM 0 HA ALA A 30 3.761 10.858 6.326 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.557 13.001 5.383 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.832 12.192 6.324 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.871 12.142 4.546 1.00 1.27 H new ATOM 415 N ASN A 31 3.289 9.569 3.710 1.00 0.73 N ATOM 416 CA ASN A 31 2.468 9.352 2.526 1.00 0.69 C ATOM 417 C ASN A 31 1.433 8.268 2.791 1.00 0.60 C ATOM 418 O ASN A 31 0.256 8.424 2.465 1.00 0.58 O ATOM 419 CB ASN A 31 3.351 8.943 1.349 1.00 0.71 C ATOM 420 CG ASN A 31 4.458 9.967 1.138 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.204 11.172 1.095 1.00 1.91 O ATOM 422 ND2 ASN A 31 5.690 9.491 1.004 1.00 1.42 N ATOM 0 H ASN A 31 3.665 8.715 4.121 1.00 0.73 H new ATOM 0 HA ASN A 31 1.952 10.281 2.284 1.00 0.69 H new ATOM 0 HB2 ASN A 31 3.785 7.961 1.536 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.748 8.858 0.445 1.00 0.71 H new ATOM 0 HD21 ASN A 31 6.471 10.131 0.859 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.856 8.485 1.046 1.00 1.42 H new ATOM 429 N ILE A 32 1.881 7.166 3.391 1.00 0.58 N ATOM 430 CA ILE A 32 0.999 6.049 3.709 1.00 0.56 C ATOM 431 C ILE A 32 -0.255 6.541 4.421 1.00 0.52 C ATOM 432 O ILE A 32 -1.346 6.010 4.220 1.00 0.51 O ATOM 433 CB ILE A 32 1.734 5.042 4.584 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.157 5.683 5.904 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.949 4.476 3.854 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.768 4.656 6.853 1.00 1.07 C ATOM 0 H ILE A 32 2.853 7.025 3.666 1.00 0.58 H new ATOM 0 HA ILE A 32 0.700 5.566 2.779 1.00 0.56 H new ATOM 0 HB ILE A 32 1.051 4.221 4.802 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.879 6.476 5.710 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.292 6.148 6.377 1.00 0.70 H new ATOM 0 HG21 ILE A 32 3.459 3.759 4.498 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.625 3.977 2.941 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.632 5.287 3.602 1.00 0.69 H new ATOM 0 HD11 ILE A 32 3.058 5.146 7.782 1.00 1.07 H new ATOM 0 HD12 ILE A 32 2.036 3.877 7.067 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.647 4.210 6.389 1.00 1.07 H new ATOM 448 N ASN A 33 -0.089 7.566 5.252 1.00 0.56 N ATOM 449 CA ASN A 33 -1.205 8.140 5.994 1.00 0.59 C ATOM 450 C ASN A 33 -2.062 9.001 5.077 1.00 0.54 C ATOM 451 O ASN A 33 -3.289 8.994 5.168 1.00 0.55 O ATOM 452 CB ASN A 33 -0.685 8.978 7.158 1.00 0.71 C ATOM 453 CG ASN A 33 -1.337 8.539 8.462 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.902 9.354 9.192 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.262 7.246 8.755 1.00 1.62 N ATOM 0 H ASN A 33 0.809 8.016 5.428 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.817 7.328 6.386 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.398 8.875 7.233 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.894 10.032 6.977 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -1.683 6.893 9.614 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.784 6.606 8.121 1.00 1.62 H new ATOM 462 N ARG A 34 -1.406 9.740 4.188 1.00 0.55 N ATOM 463 CA ARG A 34 -2.106 10.606 3.247 1.00 0.56 C ATOM 464 C ARG A 34 -3.167 9.814 2.494 1.00 0.48 C ATOM 465 O ARG A 34 -4.280 10.294 2.281 1.00 0.48 O ATOM 466 CB ARG A 34 -1.116 11.219 2.261 1.00 0.65 C ATOM 467 CG ARG A 34 -1.007 12.731 2.441 1.00 0.89 C ATOM 468 CD ARG A 34 0.437 13.168 2.670 1.00 1.22 C ATOM 469 NE ARG A 34 0.507 14.142 3.754 1.00 1.69 N ATOM 470 CZ ARG A 34 1.643 14.757 4.066 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.439 15.209 3.108 1.00 2.78 N ATOM 472 NH2 ARG A 34 1.981 14.922 5.337 1.00 2.90 N ATOM 0 H ARG A 34 -0.390 9.756 4.100 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.592 11.407 3.804 1.00 0.56 H new ATOM 0 HB2 ARG A 34 -0.135 10.764 2.399 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -1.431 10.995 1.242 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.404 13.232 1.558 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.620 13.042 3.287 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.052 12.301 2.911 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.842 13.602 1.756 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.337 14.356 4.285 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.180 15.085 2.129 1.00 2.78 H new ATOM 0 HH12 ARG A 34 3.311 15.681 3.349 1.00 2.78 H new ATOM 0 HH21 ARG A 34 1.369 14.577 6.076 1.00 2.90 H new ATOM 0 HH22 ARG A 34 2.853 15.394 5.576 1.00 2.90 H new ATOM 486 N ILE A 35 -2.815 8.595 2.096 1.00 0.45 N ATOM 487 CA ILE A 35 -3.737 7.730 1.371 1.00 0.40 C ATOM 488 C ILE A 35 -4.815 7.208 2.310 1.00 0.34 C ATOM 489 O ILE A 35 -6.004 7.373 2.058 1.00 0.34 O ATOM 490 CB ILE A 35 -2.979 6.564 0.748 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.817 7.071 -0.103 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.915 5.698 -0.086 1.00 0.40 C ATOM 493 CD1 ILE A 35 -2.282 8.094 -1.137 1.00 1.29 C ATOM 0 H ILE A 35 -1.897 8.184 2.264 1.00 0.45 H new ATOM 0 HA ILE A 35 -4.211 8.308 0.578 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.573 5.952 1.553 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.063 7.522 0.542 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.342 6.231 -0.610 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.354 4.871 -0.522 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.708 5.303 0.549 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.353 6.299 -0.883 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -1.428 8.432 -1.724 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -3.017 7.635 -1.798 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -2.733 8.946 -0.628 1.00 1.29 H new ATOM 505 N LYS A 36 -4.390 6.579 3.401 1.00 0.35 N ATOM 506 CA LYS A 36 -5.314 6.030 4.395 1.00 0.36 C ATOM 507 C LYS A 36 -6.473 6.990 4.666 1.00 0.39 C ATOM 508 O LYS A 36 -7.575 6.565 5.005 1.00 0.51 O ATOM 509 CB LYS A 36 -4.562 5.752 5.694 1.00 0.44 C ATOM 510 CG LYS A 36 -5.495 5.258 6.796 1.00 1.09 C ATOM 511 CD LYS A 36 -4.756 4.384 7.806 1.00 1.41 C ATOM 512 CE LYS A 36 -5.400 3.007 7.938 1.00 2.17 C ATOM 513 NZ LYS A 36 -6.301 2.943 9.124 1.00 2.76 N ATOM 0 H LYS A 36 -3.405 6.435 3.623 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.728 5.102 4.000 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.787 5.007 5.513 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.059 6.661 6.024 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -5.939 6.112 7.308 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -6.314 4.691 6.353 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -3.716 4.272 7.498 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.749 4.877 8.778 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -5.967 2.780 7.035 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -4.624 2.247 8.027 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -6.724 1.995 9.188 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -5.753 3.136 9.987 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.055 3.653 9.026 1.00 2.76 H new ATOM 527 N ASP A 37 -6.214 8.286 4.520 1.00 0.40 N ATOM 528 CA ASP A 37 -7.233 9.305 4.753 1.00 0.45 C ATOM 529 C ASP A 37 -7.827 9.798 3.436 1.00 0.44 C ATOM 530 O ASP A 37 -8.942 10.318 3.407 1.00 0.60 O ATOM 531 CB ASP A 37 -6.627 10.478 5.517 1.00 0.51 C ATOM 532 CG ASP A 37 -7.724 11.337 6.131 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.852 10.829 6.304 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.454 12.517 6.438 1.00 1.56 O ATOM 0 H ASP A 37 -5.305 8.656 4.241 1.00 0.40 H new ATOM 0 HA ASP A 37 -8.033 8.859 5.344 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.966 10.107 6.300 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.017 11.082 4.845 1.00 0.51 H new ATOM 539 N GLN A 38 -7.076 9.640 2.351 1.00 0.41 N ATOM 540 CA GLN A 38 -7.527 10.077 1.032 1.00 0.46 C ATOM 541 C GLN A 38 -8.347 8.989 0.345 1.00 0.42 C ATOM 542 O GLN A 38 -9.315 9.282 -0.358 1.00 0.68 O ATOM 543 CB GLN A 38 -6.324 10.447 0.174 1.00 0.54 C ATOM 544 CG GLN A 38 -6.754 11.090 -1.140 1.00 0.65 C ATOM 545 CD GLN A 38 -5.890 12.308 -1.447 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.380 13.312 -1.964 1.00 1.65 O ATOM 547 NE2 GLN A 38 -4.604 12.223 -1.127 1.00 1.66 N ATOM 0 H GLN A 38 -6.150 9.212 2.358 1.00 0.41 H new ATOM 0 HA GLN A 38 -8.165 10.952 1.158 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.681 11.134 0.724 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.734 9.554 -0.032 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -6.672 10.365 -1.950 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.802 11.385 -1.081 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -4.240 11.371 -0.700 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -3.980 13.009 -1.308 1.00 1.66 H new ATOM 556 N TYR A 39 -7.959 7.735 0.551 1.00 0.34 N ATOM 557 CA TYR A 39 -8.658 6.603 -0.049 1.00 0.34 C ATOM 558 C TYR A 39 -9.305 5.720 1.019 1.00 0.30 C ATOM 559 O TYR A 39 -9.865 4.672 0.699 1.00 0.32 O ATOM 560 CB TYR A 39 -7.686 5.765 -0.876 1.00 0.39 C ATOM 561 CG TYR A 39 -7.098 6.510 -2.046 1.00 0.46 C ATOM 562 CD1 TYR A 39 -6.198 7.540 -1.836 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.458 6.168 -3.336 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.662 8.225 -2.913 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.924 6.852 -4.412 1.00 0.73 C ATOM 566 CZ TYR A 39 -6.012 7.878 -4.188 1.00 0.66 C ATOM 567 OH TYR A 39 -5.494 8.558 -5.267 1.00 0.77 O ATOM 0 H TYR A 39 -7.161 7.476 1.131 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.443 7.000 -0.693 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.878 5.419 -0.232 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.203 4.878 -1.242 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.913 7.810 -0.830 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.159 5.364 -3.504 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.967 9.034 -2.746 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.213 6.592 -5.420 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.851 8.176 -6.096 1.00 0.77 H new ATOM 577 N LYS A 40 -9.225 6.132 2.287 1.00 0.28 N ATOM 578 CA LYS A 40 -9.804 5.347 3.377 1.00 0.31 C ATOM 579 C LYS A 40 -9.333 3.901 3.279 1.00 0.29 C ATOM 580 O LYS A 40 -10.139 2.973 3.227 1.00 0.39 O ATOM 581 CB LYS A 40 -11.328 5.408 3.312 1.00 0.38 C ATOM 582 CG LYS A 40 -11.892 6.405 4.321 1.00 0.86 C ATOM 583 CD LYS A 40 -13.217 5.924 4.905 1.00 1.29 C ATOM 584 CE LYS A 40 -14.352 6.029 3.890 1.00 1.88 C ATOM 585 NZ LYS A 40 -15.591 6.567 4.517 1.00 2.56 N ATOM 0 H LYS A 40 -8.769 6.996 2.581 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.476 5.763 4.330 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.639 5.691 2.306 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.741 4.418 3.507 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.172 6.556 5.126 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.036 7.371 3.837 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.116 4.889 5.233 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.462 6.515 5.787 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.048 6.676 3.067 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.554 5.046 3.465 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -16.344 6.627 3.802 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -15.893 5.936 5.286 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -15.402 7.515 4.901 1.00 2.56 H new ATOM 599 N VAL A 41 -8.017 3.723 3.230 1.00 0.23 N ATOM 600 CA VAL A 41 -7.427 2.396 3.110 1.00 0.23 C ATOM 601 C VAL A 41 -6.251 2.228 4.066 1.00 0.27 C ATOM 602 O VAL A 41 -5.966 3.106 4.878 1.00 0.33 O ATOM 603 CB VAL A 41 -6.961 2.190 1.674 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.155 2.117 0.731 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.017 3.312 1.249 1.00 0.23 C ATOM 0 H VAL A 41 -7.338 4.483 3.272 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.179 1.652 3.371 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.420 1.245 1.622 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.804 1.970 -0.290 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.795 1.283 1.018 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.722 3.046 0.789 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.695 3.147 0.221 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.535 4.269 1.318 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.146 3.323 1.904 1.00 0.23 H new ATOM 615 N SER A 42 -5.569 1.091 3.959 1.00 0.29 N ATOM 616 CA SER A 42 -4.420 0.800 4.808 1.00 0.34 C ATOM 617 C SER A 42 -3.297 0.181 3.984 1.00 0.30 C ATOM 618 O SER A 42 -3.512 -0.787 3.253 1.00 0.36 O ATOM 619 CB SER A 42 -4.826 -0.150 5.929 1.00 0.43 C ATOM 620 OG SER A 42 -3.970 0.015 7.052 1.00 0.93 O ATOM 0 H SER A 42 -5.794 0.355 3.290 1.00 0.29 H new ATOM 0 HA SER A 42 -4.063 1.733 5.244 1.00 0.34 H new ATOM 0 HB2 SER A 42 -5.859 0.041 6.220 1.00 0.43 H new ATOM 0 HB3 SER A 42 -4.779 -1.180 5.576 1.00 0.43 H new ATOM 0 HG SER A 42 -4.243 -0.600 7.765 1.00 0.93 H new ATOM 626 N VAL A 43 -2.100 0.747 4.101 1.00 0.33 N ATOM 627 CA VAL A 43 -0.944 0.254 3.360 1.00 0.34 C ATOM 628 C VAL A 43 0.034 -0.449 4.293 1.00 0.35 C ATOM 629 O VAL A 43 0.699 0.192 5.107 1.00 0.55 O ATOM 630 CB VAL A 43 -0.243 1.413 2.655 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.748 0.896 1.618 1.00 0.54 C ATOM 632 CG2 VAL A 43 -1.259 2.351 2.007 1.00 1.25 C ATOM 0 H VAL A 43 -1.905 1.548 4.702 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.292 -0.463 2.617 1.00 0.34 H new ATOM 0 HB VAL A 43 0.311 1.978 3.405 1.00 0.49 H new ATOM 0 HG11 VAL A 43 1.235 1.739 1.128 1.00 0.54 H new ATOM 0 HG12 VAL A 43 1.499 0.278 2.109 1.00 0.54 H new ATOM 0 HG13 VAL A 43 0.219 0.301 0.874 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -0.735 3.168 1.511 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -1.847 1.799 1.274 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -1.921 2.756 2.773 1.00 1.25 H new ATOM 642 N ARG A 44 0.119 -1.769 4.167 1.00 0.31 N ATOM 643 CA ARG A 44 1.020 -2.561 4.996 1.00 0.42 C ATOM 644 C ARG A 44 2.358 -2.752 4.296 1.00 0.40 C ATOM 645 O ARG A 44 2.407 -3.042 3.100 1.00 0.41 O ATOM 646 CB ARG A 44 0.394 -3.919 5.300 1.00 0.52 C ATOM 647 CG ARG A 44 -1.026 -3.772 5.839 1.00 0.78 C ATOM 648 CD ARG A 44 -1.059 -2.932 7.112 1.00 1.05 C ATOM 649 NE ARG A 44 -0.143 -3.481 8.106 1.00 1.31 N ATOM 650 CZ ARG A 44 -0.574 -3.926 9.281 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.504 -4.870 9.335 1.00 2.28 N ATOM 652 NH2 ARG A 44 -0.073 -3.430 10.405 1.00 2.27 N ATOM 0 H ARG A 44 -0.426 -2.313 3.498 1.00 0.31 H new ATOM 0 HA ARG A 44 1.188 -2.028 5.932 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.380 -4.525 4.394 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.008 -4.449 6.028 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.658 -3.309 5.081 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.443 -4.758 6.042 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.784 -1.902 6.883 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.072 -2.909 7.514 1.00 1.05 H new ATOM 0 HE ARG A 44 0.854 -3.524 7.893 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -1.890 -5.256 8.473 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -1.833 -5.210 10.238 1.00 2.28 H new ATOM 0 HH21 ARG A 44 0.644 -2.706 10.368 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -0.405 -3.773 11.306 1.00 2.27 H new ATOM 666 N ILE A 45 3.442 -2.587 5.048 1.00 0.46 N ATOM 667 CA ILE A 45 4.786 -2.739 4.505 1.00 0.47 C ATOM 668 C ILE A 45 5.401 -4.058 4.973 1.00 0.53 C ATOM 669 O ILE A 45 5.998 -4.127 6.048 1.00 0.64 O ATOM 670 CB ILE A 45 5.656 -1.553 4.940 1.00 0.56 C ATOM 671 CG1 ILE A 45 5.183 -0.271 4.261 1.00 0.59 C ATOM 672 CG2 ILE A 45 7.133 -1.791 4.631 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.281 -0.375 2.741 1.00 0.56 C ATOM 0 H ILE A 45 3.414 -2.347 6.039 1.00 0.46 H new ATOM 0 HA ILE A 45 4.732 -2.756 3.416 1.00 0.47 H new ATOM 0 HB ILE A 45 5.552 -1.450 6.020 1.00 0.56 H new ATOM 0 HG12 ILE A 45 4.151 -0.066 4.547 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.784 0.569 4.609 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.716 -0.928 4.954 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.477 -2.680 5.160 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.262 -1.935 3.558 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.936 0.555 2.290 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.317 -0.555 2.455 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.660 -1.200 2.392 1.00 0.56 H new ATOM 685 N PRO A 46 5.267 -5.123 4.164 1.00 0.48 N ATOM 686 CA PRO A 46 5.819 -6.439 4.502 1.00 0.58 C ATOM 687 C PRO A 46 7.338 -6.478 4.338 1.00 0.61 C ATOM 688 O PRO A 46 7.850 -6.370 3.223 1.00 0.56 O ATOM 689 CB PRO A 46 5.138 -7.380 3.512 1.00 0.57 C ATOM 690 CG PRO A 46 4.765 -6.526 2.347 1.00 0.47 C ATOM 691 CD PRO A 46 4.575 -5.125 2.864 1.00 0.41 C ATOM 0 HA PRO A 46 5.638 -6.708 5.543 1.00 0.58 H new ATOM 0 HB2 PRO A 46 5.808 -8.185 3.211 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.258 -7.847 3.955 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.544 -6.553 1.585 1.00 0.47 H new ATOM 0 HG3 PRO A 46 3.850 -6.891 1.880 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.003 -4.388 2.184 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.518 -4.881 2.975 1.00 0.41 H new ATOM 699 N PRO A 47 8.082 -6.633 5.446 1.00 0.74 N ATOM 700 CA PRO A 47 9.549 -6.684 5.401 1.00 0.81 C ATOM 701 C PRO A 47 10.067 -7.978 4.777 1.00 0.87 C ATOM 702 O PRO A 47 11.243 -8.080 4.430 1.00 1.53 O ATOM 703 CB PRO A 47 9.959 -6.567 6.867 1.00 0.98 C ATOM 704 CG PRO A 47 8.787 -7.069 7.641 1.00 1.03 C ATOM 705 CD PRO A 47 7.562 -6.771 6.818 1.00 0.85 C ATOM 0 HA PRO A 47 9.968 -5.895 4.777 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.851 -7.158 7.075 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.192 -5.535 7.130 1.00 0.98 H new ATOM 0 HG2 PRO A 47 8.877 -8.139 7.827 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.728 -6.580 8.613 1.00 1.03 H new ATOM 0 HD2 PRO A 47 6.828 -7.574 6.888 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.069 -5.858 7.152 1.00 0.85 H new ATOM 713 N ASP A 48 9.185 -8.966 4.636 1.00 1.32 N ATOM 714 CA ASP A 48 9.561 -10.249 4.054 1.00 1.46 C ATOM 715 C ASP A 48 10.256 -10.044 2.713 1.00 1.48 C ATOM 716 O ASP A 48 10.277 -8.936 2.177 1.00 2.18 O ATOM 717 CB ASP A 48 8.324 -11.122 3.867 1.00 2.16 C ATOM 718 CG ASP A 48 7.270 -10.381 3.054 1.00 2.56 C ATOM 719 OD1 ASP A 48 7.647 -9.511 2.241 1.00 3.01 O ATOM 720 OD2 ASP A 48 6.068 -10.672 3.231 1.00 3.03 O ATOM 0 H ASP A 48 8.207 -8.901 4.917 1.00 1.32 H new ATOM 0 HA ASP A 48 10.252 -10.747 4.734 1.00 1.46 H new ATOM 0 HB2 ASP A 48 8.598 -12.048 3.362 1.00 2.16 H new ATOM 0 HB3 ASP A 48 7.915 -11.398 4.839 1.00 2.16 H new ATOM 725 N SER A 49 10.826 -11.119 2.177 1.00 1.59 N ATOM 726 CA SER A 49 11.525 -11.058 0.898 1.00 2.11 C ATOM 727 C SER A 49 12.634 -10.014 0.944 1.00 1.90 C ATOM 728 O SER A 49 12.972 -9.503 2.012 1.00 2.33 O ATOM 729 CB SER A 49 10.543 -10.722 -0.219 1.00 3.03 C ATOM 730 OG SER A 49 9.434 -11.606 -0.192 1.00 3.81 O ATOM 0 H SER A 49 10.817 -12.043 2.609 1.00 1.59 H new ATOM 0 HA SER A 49 11.971 -12.033 0.701 1.00 2.11 H new ATOM 0 HB2 SER A 49 10.198 -9.694 -0.110 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.045 -10.789 -1.184 1.00 3.03 H new ATOM 0 HG SER A 49 8.814 -11.375 -0.914 1.00 3.81 H new ATOM 736 N GLU A 50 13.194 -9.698 -0.218 1.00 1.92 N ATOM 737 CA GLU A 50 14.265 -8.711 -0.310 1.00 2.27 C ATOM 738 C GLU A 50 14.200 -7.964 -1.636 1.00 2.09 C ATOM 739 O GLU A 50 14.330 -6.740 -1.674 1.00 2.74 O ATOM 740 CB GLU A 50 15.629 -9.386 -0.157 1.00 3.06 C ATOM 741 CG GLU A 50 15.682 -10.749 -0.848 1.00 3.83 C ATOM 742 CD GLU A 50 15.450 -10.591 -2.345 1.00 4.43 C ATOM 743 OE1 GLU A 50 14.717 -9.660 -2.740 1.00 4.97 O ATOM 744 OE2 GLU A 50 16.003 -11.399 -3.121 1.00 4.75 O ATOM 0 H GLU A 50 12.924 -10.111 -1.111 1.00 1.92 H new ATOM 0 HA GLU A 50 14.133 -7.993 0.500 1.00 2.27 H new ATOM 0 HB2 GLU A 50 16.401 -8.739 -0.574 1.00 3.06 H new ATOM 0 HB3 GLU A 50 15.854 -9.509 0.902 1.00 3.06 H new ATOM 0 HG2 GLU A 50 16.650 -11.217 -0.670 1.00 3.83 H new ATOM 0 HG3 GLU A 50 14.926 -11.409 -0.423 1.00 3.83 H new ATOM 751 N LYS A 51 13.995 -8.702 -2.723 1.00 1.76 N ATOM 752 CA LYS A 51 13.912 -8.102 -4.050 1.00 1.77 C ATOM 753 C LYS A 51 12.464 -8.048 -4.518 1.00 1.55 C ATOM 754 O LYS A 51 11.881 -6.970 -4.640 1.00 2.20 O ATOM 755 CB LYS A 51 14.748 -8.904 -5.044 1.00 2.14 C ATOM 756 CG LYS A 51 16.195 -9.043 -4.579 1.00 2.60 C ATOM 757 CD LYS A 51 17.050 -7.868 -5.045 1.00 3.36 C ATOM 758 CE LYS A 51 18.495 -8.290 -5.296 1.00 4.12 C ATOM 759 NZ LYS A 51 19.408 -7.742 -4.255 1.00 4.81 N ATOM 0 HA LYS A 51 14.303 -7.086 -3.995 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.310 -9.894 -5.173 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.724 -8.415 -6.018 1.00 2.14 H new ATOM 0 HG2 LYS A 51 16.224 -9.106 -3.491 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.614 -9.973 -4.963 1.00 2.60 H new ATOM 0 HD2 LYS A 51 16.628 -7.450 -5.959 1.00 3.36 H new ATOM 0 HD3 LYS A 51 17.026 -7.079 -4.293 1.00 3.36 H new ATOM 0 HE2 LYS A 51 18.562 -9.378 -5.305 1.00 4.12 H new ATOM 0 HE3 LYS A 51 18.812 -7.943 -6.280 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 20.383 -8.046 -4.453 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 19.361 -6.703 -4.264 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 19.119 -8.094 -3.320 1.00 4.81 H new ATOM 773 N SER A 52 11.886 -9.217 -4.778 1.00 1.19 N ATOM 774 CA SER A 52 10.502 -9.304 -5.232 1.00 1.04 C ATOM 775 C SER A 52 9.546 -9.166 -4.054 1.00 0.92 C ATOM 776 O SER A 52 9.012 -10.157 -3.556 1.00 1.19 O ATOM 777 CB SER A 52 10.267 -10.637 -5.934 1.00 1.25 C ATOM 778 OG SER A 52 11.165 -10.794 -7.021 1.00 2.03 O ATOM 0 H SER A 52 12.355 -10.118 -4.682 1.00 1.19 H new ATOM 0 HA SER A 52 10.315 -8.491 -5.933 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.398 -11.455 -5.226 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.239 -10.688 -6.294 1.00 1.25 H new ATOM 0 HG SER A 52 11.001 -11.655 -7.459 1.00 2.03 H new ATOM 784 N ASN A 53 9.334 -7.931 -3.610 1.00 0.68 N ATOM 785 CA ASN A 53 8.442 -7.662 -2.491 1.00 0.61 C ATOM 786 C ASN A 53 7.018 -7.450 -2.983 1.00 0.59 C ATOM 787 O ASN A 53 6.772 -7.368 -4.186 1.00 0.99 O ATOM 788 CB ASN A 53 8.918 -6.429 -1.729 1.00 0.60 C ATOM 789 CG ASN A 53 8.706 -6.618 -0.233 1.00 0.89 C ATOM 790 OD1 ASN A 53 7.615 -6.978 0.209 1.00 1.68 O ATOM 791 ND2 ASN A 53 9.750 -6.373 0.550 1.00 1.28 N ATOM 0 H ASN A 53 9.770 -7.100 -4.010 1.00 0.68 H new ATOM 0 HA ASN A 53 8.455 -8.523 -1.822 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.974 -6.251 -1.934 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.374 -5.549 -2.072 1.00 0.60 H new ATOM 0 HD21 ASN A 53 9.666 -6.481 1.561 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.636 -6.077 0.141 1.00 1.28 H new ATOM 798 N LEU A 54 6.082 -7.361 -2.045 1.00 0.55 N ATOM 799 CA LEU A 54 4.677 -7.159 -2.381 1.00 0.51 C ATOM 800 C LEU A 54 3.937 -6.501 -1.222 1.00 0.44 C ATOM 801 O LEU A 54 3.564 -7.168 -0.257 1.00 0.57 O ATOM 802 CB LEU A 54 4.024 -8.498 -2.714 1.00 0.65 C ATOM 803 CG LEU A 54 3.900 -8.708 -4.221 1.00 0.82 C ATOM 804 CD1 LEU A 54 4.926 -9.726 -4.709 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.486 -9.147 -4.591 1.00 1.49 C ATOM 0 H LEU A 54 6.271 -7.426 -1.045 1.00 0.55 H new ATOM 0 HA LEU A 54 4.621 -6.503 -3.249 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.612 -9.307 -2.281 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.035 -8.544 -2.258 1.00 0.65 H new ATOM 0 HG LEU A 54 4.101 -7.757 -4.715 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.821 -9.861 -5.785 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.930 -9.366 -4.485 1.00 1.49 H new ATOM 0 HD13 LEU A 54 4.761 -10.679 -4.206 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.420 -9.291 -5.669 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.252 -10.084 -4.085 1.00 1.49 H new ATOM 0 HD23 LEU A 54 1.775 -8.381 -4.283 1.00 1.49 H new ATOM 817 N ILE A 55 3.720 -5.193 -1.323 1.00 0.31 N ATOM 818 CA ILE A 55 3.017 -4.457 -0.279 1.00 0.26 C ATOM 819 C ILE A 55 1.605 -5.003 -0.120 1.00 0.27 C ATOM 820 O ILE A 55 0.926 -5.294 -1.105 1.00 0.34 O ATOM 821 CB ILE A 55 2.975 -2.970 -0.623 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.391 -2.410 -0.717 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.157 -2.188 0.404 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.386 -0.911 -0.998 1.00 0.35 C ATOM 0 H ILE A 55 4.020 -4.623 -2.114 1.00 0.31 H new ATOM 0 HA ILE A 55 3.550 -4.581 0.664 1.00 0.26 H new ATOM 0 HB ILE A 55 2.488 -2.860 -1.592 1.00 0.27 H new ATOM 0 HG12 ILE A 55 4.922 -2.604 0.215 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.935 -2.927 -1.507 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.145 -1.132 0.132 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.136 -2.569 0.423 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.605 -2.304 1.391 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.412 -0.549 -1.058 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.878 -0.720 -1.943 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.864 -0.392 -0.194 1.00 0.35 H new ATOM 836 N ARG A 56 1.171 -5.149 1.127 1.00 0.29 N ATOM 837 CA ARG A 56 -0.158 -5.670 1.415 1.00 0.32 C ATOM 838 C ARG A 56 -1.150 -4.538 1.630 1.00 0.29 C ATOM 839 O ARG A 56 -1.195 -3.930 2.699 1.00 0.42 O ATOM 840 CB ARG A 56 -0.109 -6.561 2.653 1.00 0.42 C ATOM 841 CG ARG A 56 0.278 -7.992 2.294 1.00 0.55 C ATOM 842 CD ARG A 56 1.687 -8.328 2.771 1.00 0.84 C ATOM 843 NE ARG A 56 1.654 -9.438 3.715 1.00 1.44 N ATOM 844 CZ ARG A 56 1.612 -9.237 5.029 1.00 1.77 C ATOM 845 NH1 ARG A 56 0.478 -8.869 5.609 1.00 2.33 N ATOM 846 NH2 ARG A 56 2.704 -9.403 5.762 1.00 2.19 N ATOM 0 H ARG A 56 1.721 -4.914 1.953 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.489 -6.258 0.559 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.609 -6.156 3.366 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.082 -6.558 3.144 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.434 -8.685 2.742 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.217 -8.126 1.214 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.314 -8.587 1.918 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.136 -7.454 3.243 1.00 0.84 H new ATOM 0 HE ARG A 56 1.663 -10.394 3.359 1.00 1.44 H new ATOM 0 HH11 ARG A 56 -0.364 -8.740 5.047 1.00 2.33 H new ATOM 0 HH12 ARG A 56 0.447 -8.715 6.617 1.00 2.33 H new ATOM 0 HH21 ARG A 56 3.578 -9.685 5.318 1.00 2.19 H new ATOM 0 HH22 ARG A 56 2.670 -9.248 6.770 1.00 2.19 H new ATOM 860 N ILE A 57 -1.951 -4.263 0.606 1.00 0.24 N ATOM 861 CA ILE A 57 -2.952 -3.208 0.678 1.00 0.24 C ATOM 862 C ILE A 57 -4.304 -3.791 1.066 1.00 0.26 C ATOM 863 O ILE A 57 -4.596 -4.950 0.774 1.00 0.40 O ATOM 864 CB ILE A 57 -3.063 -2.497 -0.667 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.702 -1.961 -1.104 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.087 -1.370 -0.603 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.210 -0.857 -0.173 1.00 1.32 C ATOM 0 H ILE A 57 -1.925 -4.758 -0.285 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.645 -2.488 1.437 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.402 -3.222 -1.407 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -0.977 -2.775 -1.119 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.771 -1.576 -2.122 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.148 -0.878 -1.574 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.063 -1.779 -0.342 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.784 -0.645 0.152 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.239 -0.499 -0.514 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.923 -0.032 -0.178 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.117 -1.250 0.840 1.00 1.32 H new ATOM 879 N GLU A 58 -5.127 -2.983 1.725 1.00 0.23 N ATOM 880 CA GLU A 58 -6.448 -3.428 2.151 1.00 0.25 C ATOM 881 C GLU A 58 -7.270 -2.259 2.666 1.00 0.24 C ATOM 882 O GLU A 58 -6.772 -1.401 3.397 1.00 0.26 O ATOM 883 CB GLU A 58 -6.317 -4.489 3.239 1.00 0.32 C ATOM 884 CG GLU A 58 -7.681 -4.974 3.721 1.00 0.37 C ATOM 885 CD GLU A 58 -7.563 -5.598 5.105 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.172 -4.881 6.049 1.00 1.56 O ATOM 887 OE2 GLU A 58 -7.862 -6.803 5.241 1.00 1.47 O ATOM 0 H GLU A 58 -4.904 -2.020 1.975 1.00 0.23 H new ATOM 0 HA GLU A 58 -6.959 -3.858 1.290 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.745 -5.334 2.856 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -5.758 -4.080 4.081 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.382 -4.139 3.750 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.084 -5.704 3.019 1.00 0.37 H new ATOM 894 N GLY A 59 -8.536 -2.238 2.276 1.00 0.25 N ATOM 895 CA GLY A 59 -9.458 -1.192 2.677 1.00 0.27 C ATOM 896 C GLY A 59 -10.874 -1.734 2.673 1.00 0.39 C ATOM 897 O GLY A 59 -11.091 -2.913 2.957 1.00 0.59 O ATOM 0 H GLY A 59 -8.951 -2.948 1.672 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.200 -0.827 3.671 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.380 -0.344 1.996 1.00 0.27 H new ATOM 901 N ASP A 60 -11.843 -0.888 2.353 1.00 0.53 N ATOM 902 CA ASP A 60 -13.223 -1.327 2.327 1.00 0.70 C ATOM 903 C ASP A 60 -13.904 -1.010 1.000 1.00 0.59 C ATOM 904 O ASP A 60 -14.428 -1.910 0.342 1.00 1.04 O ATOM 905 CB ASP A 60 -13.990 -0.690 3.476 1.00 1.22 C ATOM 906 CG ASP A 60 -14.790 -1.743 4.232 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.331 -2.903 4.301 1.00 2.66 O ATOM 908 OD2 ASP A 60 -15.873 -1.406 4.755 1.00 2.31 O ATOM 0 H ASP A 60 -11.699 0.092 2.111 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.225 -2.411 2.440 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.295 -0.196 4.155 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -14.661 0.078 3.092 1.00 1.22 H new ATOM 913 N PRO A 61 -13.926 0.266 0.580 1.00 0.72 N ATOM 914 CA PRO A 61 -14.566 0.663 -0.666 1.00 1.14 C ATOM 915 C PRO A 61 -13.587 0.663 -1.833 1.00 0.88 C ATOM 916 O PRO A 61 -12.453 0.204 -1.704 1.00 1.22 O ATOM 917 CB PRO A 61 -15.064 2.070 -0.348 1.00 1.82 C ATOM 918 CG PRO A 61 -14.174 2.585 0.748 1.00 1.82 C ATOM 919 CD PRO A 61 -13.353 1.430 1.266 1.00 1.17 C ATOM 0 HA PRO A 61 -15.358 -0.017 -0.978 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.011 2.711 -1.228 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.106 2.053 -0.029 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.524 3.375 0.371 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.770 3.018 1.551 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.295 1.553 1.032 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -13.431 1.336 2.349 1.00 1.17 H new ATOM 927 N GLN A 62 -14.030 1.189 -2.971 1.00 0.64 N ATOM 928 CA GLN A 62 -13.188 1.256 -4.160 1.00 0.47 C ATOM 929 C GLN A 62 -11.839 1.881 -3.818 1.00 0.41 C ATOM 930 O GLN A 62 -10.837 1.630 -4.486 1.00 0.47 O ATOM 931 CB GLN A 62 -13.878 2.077 -5.246 1.00 0.69 C ATOM 932 CG GLN A 62 -15.250 1.508 -5.600 1.00 0.85 C ATOM 933 CD GLN A 62 -15.125 0.466 -6.702 1.00 1.34 C ATOM 934 OE1 GLN A 62 -14.252 -0.400 -6.655 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.000 0.550 -7.699 1.00 1.73 N ATOM 0 H GLN A 62 -14.966 1.575 -3.095 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.025 0.243 -4.528 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.988 3.108 -4.908 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.252 2.099 -6.138 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.703 1.059 -4.716 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.911 2.312 -5.924 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.707 1.285 -7.696 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.964 -0.121 -8.467 1.00 1.73 H new ATOM 944 N GLY A 63 -11.825 2.699 -2.770 1.00 0.37 N ATOM 945 CA GLY A 63 -10.609 3.367 -2.331 1.00 0.34 C ATOM 946 C GLY A 63 -9.441 2.394 -2.228 1.00 0.27 C ATOM 947 O GLY A 63 -8.297 2.763 -2.494 1.00 0.29 O ATOM 0 H GLY A 63 -12.648 2.915 -2.208 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.358 4.165 -3.030 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.780 3.835 -1.362 1.00 0.34 H new ATOM 951 N VAL A 64 -9.721 1.153 -1.832 1.00 0.24 N ATOM 952 CA VAL A 64 -8.662 0.158 -1.695 1.00 0.21 C ATOM 953 C VAL A 64 -8.123 -0.258 -3.060 1.00 0.24 C ATOM 954 O VAL A 64 -6.915 -0.432 -3.228 1.00 0.28 O ATOM 955 CB VAL A 64 -9.138 -1.068 -0.901 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.030 -1.989 -1.729 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.927 -1.837 -0.391 1.00 0.26 C ATOM 0 H VAL A 64 -10.657 0.818 -1.604 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.850 0.621 -1.134 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.739 -0.710 -0.065 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.339 -2.839 -1.121 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.912 -1.440 -2.060 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.477 -2.346 -2.598 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.260 -2.708 0.173 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.320 -2.162 -1.236 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.332 -1.192 0.256 1.00 0.26 H new ATOM 967 N GLN A 65 -9.013 -0.415 -4.036 1.00 0.25 N ATOM 968 CA GLN A 65 -8.597 -0.808 -5.379 1.00 0.30 C ATOM 969 C GLN A 65 -7.999 0.383 -6.118 1.00 0.30 C ATOM 970 O GLN A 65 -7.153 0.220 -7.000 1.00 0.34 O ATOM 971 CB GLN A 65 -9.779 -1.389 -6.158 1.00 0.37 C ATOM 972 CG GLN A 65 -10.809 -0.326 -6.538 1.00 0.42 C ATOM 973 CD GLN A 65 -11.204 -0.475 -8.001 1.00 0.78 C ATOM 974 OE1 GLN A 65 -10.469 -1.058 -8.798 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.367 0.056 -8.356 1.00 0.82 N ATOM 0 H GLN A 65 -10.018 -0.278 -3.924 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.832 -1.580 -5.294 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.411 -1.873 -7.062 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.262 -2.160 -5.558 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.691 -0.421 -5.904 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.397 0.668 -6.364 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.944 0.530 -7.662 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.684 -0.010 -9.323 1.00 0.82 H new ATOM 984 N GLN A 66 -8.434 1.583 -5.744 1.00 0.29 N ATOM 985 CA GLN A 66 -7.937 2.804 -6.363 1.00 0.31 C ATOM 986 C GLN A 66 -6.563 3.147 -5.807 1.00 0.29 C ATOM 987 O GLN A 66 -5.636 3.450 -6.559 1.00 0.36 O ATOM 988 CB GLN A 66 -8.906 3.954 -6.105 1.00 0.35 C ATOM 989 CG GLN A 66 -9.325 4.635 -7.405 1.00 0.79 C ATOM 990 CD GLN A 66 -10.071 5.929 -7.108 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.514 6.862 -6.530 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.339 5.988 -7.505 1.00 1.31 N ATOM 0 H GLN A 66 -9.130 1.734 -5.014 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.855 2.646 -7.438 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.789 3.578 -5.589 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.438 4.684 -5.445 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.445 4.846 -8.013 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -9.960 3.966 -7.985 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.762 5.191 -7.981 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.888 6.830 -7.333 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.434 3.085 -4.486 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.168 3.375 -3.827 1.00 0.27 C ATOM 1003 C ALA A 67 -4.135 2.325 -4.206 1.00 0.26 C ATOM 1004 O ALA A 67 -2.952 2.628 -4.359 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.356 3.398 -2.313 1.00 0.29 C ATOM 0 H ALA A 67 -7.192 2.836 -3.851 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.817 4.354 -4.152 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.403 3.616 -1.831 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -6.081 4.168 -2.048 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.719 2.427 -1.977 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.595 1.088 -4.366 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.718 -0.014 -4.738 1.00 0.28 C ATOM 1013 C LYS A 68 -3.084 0.263 -6.093 1.00 0.31 C ATOM 1014 O LYS A 68 -1.860 0.255 -6.231 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.510 -1.318 -4.790 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.646 -2.481 -5.266 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.295 -3.227 -6.428 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.273 -4.038 -7.219 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.919 -5.168 -7.943 1.00 0.88 N ATOM 0 H LYS A 68 -5.573 0.824 -4.243 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.931 -0.108 -3.990 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.909 -1.542 -3.801 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.363 -1.200 -5.459 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.670 -2.107 -5.574 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.477 -3.171 -4.439 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.070 -3.891 -6.046 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.785 -2.513 -7.091 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.765 -3.389 -7.933 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.511 -4.425 -6.542 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.198 -5.700 -8.471 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.382 -5.799 -7.259 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.629 -4.795 -8.606 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.925 0.514 -7.091 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.450 0.805 -8.438 1.00 0.43 C ATOM 1035 C ARG A 69 -2.725 2.146 -8.469 1.00 0.42 C ATOM 1036 O ARG A 69 -1.888 2.391 -9.337 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.623 0.826 -9.414 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.562 -0.344 -10.393 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.249 -0.010 -11.714 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.920 -1.008 -12.725 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.634 -2.121 -12.867 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -5.651 -3.027 -11.901 1.00 2.98 N ATOM 1043 NH2 ARG A 69 -6.330 -2.327 -13.977 1.00 2.76 N ATOM 0 H ARG A 69 -4.940 0.522 -6.992 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.752 0.023 -8.736 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.560 0.787 -8.858 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.619 1.765 -9.968 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.521 -0.608 -10.580 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.037 -1.218 -9.946 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -6.329 0.029 -11.570 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.937 0.978 -12.054 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.122 -0.848 -13.339 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -5.116 -2.872 -11.047 1.00 2.98 H new ATOM 0 HH12 ARG A 69 -6.199 -3.880 -12.011 1.00 2.98 H new ATOM 0 HH21 ARG A 69 -6.318 -1.631 -14.723 1.00 2.76 H new ATOM 0 HH22 ARG A 69 -6.877 -3.181 -14.085 1.00 2.76 H new ATOM 1057 N GLU A 70 -3.053 3.014 -7.514 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.435 4.333 -7.429 1.00 0.43 C ATOM 1059 C GLU A 70 -0.975 4.216 -7.007 1.00 0.44 C ATOM 1060 O GLU A 70 -0.075 4.661 -7.720 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.200 5.197 -6.429 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.649 6.619 -6.370 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.365 7.505 -7.381 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.898 6.966 -8.373 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -3.391 8.738 -7.178 1.00 1.50 O ATOM 0 H GLU A 70 -3.744 2.826 -6.788 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.473 4.800 -8.413 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.254 5.227 -6.706 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.143 4.744 -5.439 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.776 7.024 -5.366 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.579 6.611 -6.577 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.744 3.615 -5.844 1.00 0.40 N ATOM 1073 CA LEU A 71 0.608 3.437 -5.322 1.00 0.47 C ATOM 1074 C LEU A 71 1.446 2.588 -6.268 1.00 0.52 C ATOM 1075 O LEU A 71 2.622 2.869 -6.495 1.00 0.60 O ATOM 1076 CB LEU A 71 0.554 2.765 -3.954 1.00 0.51 C ATOM 1077 CG LEU A 71 -0.244 3.590 -2.950 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -1.141 2.690 -2.107 1.00 1.08 C ATOM 1079 CD2 LEU A 71 0.689 4.408 -2.061 1.00 1.15 C ATOM 0 H LEU A 71 -1.478 3.241 -5.243 1.00 0.40 H new ATOM 0 HA LEU A 71 1.069 4.420 -5.230 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.104 1.777 -4.052 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.567 2.619 -3.580 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.879 4.282 -3.504 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.702 3.298 -1.397 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.835 2.157 -2.757 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.528 1.971 -1.564 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.099 4.989 -1.352 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.353 3.737 -1.516 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.282 5.083 -2.679 1.00 1.15 H new ATOM 1091 N LEU A 72 0.832 1.539 -6.811 1.00 0.52 N ATOM 1092 CA LEU A 72 1.513 0.626 -7.730 1.00 0.63 C ATOM 1093 C LEU A 72 2.394 1.384 -8.722 1.00 0.67 C ATOM 1094 O LEU A 72 3.410 0.864 -9.182 1.00 0.83 O ATOM 1095 CB LEU A 72 0.485 -0.207 -8.487 1.00 0.66 C ATOM 1096 CG LEU A 72 0.976 -1.635 -8.711 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.164 -2.531 -9.183 1.00 1.04 C ATOM 1098 CD2 LEU A 72 2.130 -1.656 -9.710 1.00 1.99 C ATOM 0 H LEU A 72 -0.142 1.298 -6.630 1.00 0.52 H new ATOM 0 HA LEU A 72 2.155 -0.028 -7.140 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.451 -0.227 -7.929 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.273 0.261 -9.448 1.00 0.66 H new ATOM 0 HG LEU A 72 1.340 -2.024 -7.760 1.00 0.88 H new ATOM 0 HD11 LEU A 72 0.209 -3.544 -9.336 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -0.952 -2.544 -8.430 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -0.565 -2.146 -10.121 1.00 1.04 H new ATOM 0 HD21 LEU A 72 2.466 -2.683 -9.856 1.00 1.99 H new ATOM 0 HD22 LEU A 72 1.795 -1.245 -10.662 1.00 1.99 H new ATOM 0 HD23 LEU A 72 2.955 -1.056 -9.326 1.00 1.99 H new ATOM 1110 N GLU A 73 2.001 2.610 -9.050 1.00 0.64 N ATOM 1111 CA GLU A 73 2.759 3.427 -9.991 1.00 0.74 C ATOM 1112 C GLU A 73 3.099 4.781 -9.380 1.00 0.71 C ATOM 1113 O GLU A 73 4.268 5.096 -9.158 1.00 0.88 O ATOM 1114 CB GLU A 73 1.955 3.627 -11.271 1.00 0.82 C ATOM 1115 CG GLU A 73 1.889 2.347 -12.097 1.00 1.00 C ATOM 1116 CD GLU A 73 0.677 1.518 -11.693 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -0.283 2.096 -11.142 1.00 2.01 O ATOM 1118 OE2 GLU A 73 0.690 0.292 -11.928 1.00 2.05 O ATOM 0 H GLU A 73 1.164 3.059 -8.679 1.00 0.64 H new ATOM 0 HA GLU A 73 3.689 2.908 -10.224 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.945 3.952 -11.020 1.00 0.82 H new ATOM 0 HB3 GLU A 73 2.407 4.421 -11.865 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.832 2.593 -13.157 1.00 1.00 H new ATOM 0 HG3 GLU A 73 2.800 1.766 -11.953 1.00 1.00 H new ATOM 1125 N LEU A 74 2.072 5.580 -9.117 1.00 0.64 N ATOM 1126 CA LEU A 74 2.259 6.905 -8.539 1.00 0.71 C ATOM 1127 C LEU A 74 2.981 6.815 -7.199 1.00 0.82 C ATOM 1128 O LEU A 74 3.646 7.761 -6.780 1.00 1.13 O ATOM 1129 CB LEU A 74 0.907 7.592 -8.356 1.00 0.85 C ATOM 1130 CG LEU A 74 0.084 7.578 -9.643 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -1.204 8.377 -9.467 1.00 1.19 C ATOM 1132 CD2 LEU A 74 0.898 8.121 -10.815 1.00 1.32 C ATOM 0 H LEU A 74 1.099 5.333 -9.295 1.00 0.64 H new ATOM 0 HA LEU A 74 2.872 7.493 -9.222 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.350 7.093 -7.563 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.063 8.622 -8.036 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.181 6.544 -9.864 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.776 8.355 -10.395 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.797 7.939 -8.665 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.960 9.409 -9.216 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.291 8.101 -11.720 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.201 9.147 -10.604 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.785 7.504 -10.959 1.00 1.32 H new ATOM 1144 N ALA A 75 2.848 5.673 -6.533 1.00 0.78 N ATOM 1145 CA ALA A 75 3.491 5.465 -5.239 1.00 0.99 C ATOM 1146 C ALA A 75 2.990 6.486 -4.225 1.00 1.70 C ATOM 1147 O ALA A 75 2.326 7.458 -4.585 1.00 2.16 O ATOM 1148 CB ALA A 75 5.005 5.581 -5.386 1.00 1.14 C ATOM 0 H ALA A 75 2.302 4.878 -6.866 1.00 0.78 H new ATOM 0 HA ALA A 75 3.240 4.466 -4.882 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.478 5.425 -4.416 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.361 4.828 -6.089 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.259 6.574 -5.758 1.00 1.14 H new