USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 55 THR OG1 : rot -74:sc= 0.732 USER MOD Set 1.2: A 57 SER OG : rot -79:sc= 0.0587 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.137 (180deg=-0.571) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.21 (180deg=2.01) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.0019) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -100:sc= 1.17 (180deg=0.408) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 25 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.71) USER MOD Single : A 27 LYS NZ :NH3+ -113:sc= 1.22 (180deg=-0.0725) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.12 (180deg=0.589) USER MOD Single : A 31 GLN : amide:sc= -0.0083 K(o=-0.0083,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0534 K(o=-0.053,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= 0.676 K(o=0.68,f=-1.5) 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 59 TYR OH : rot 30:sc= 0.177 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -146:sc= 0.133 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.232 -7.368 -4.750 1.00 9.67 N ATOM 2 CA MET A 1 11.232 -7.197 -3.328 1.00 10.38 C ATOM 3 C MET A 1 9.946 -7.603 -2.717 1.00 9.62 C ATOM 4 O MET A 1 8.906 -7.244 -3.280 1.00 9.62 O ATOM 5 CB MET A 1 11.666 -5.768 -2.906 1.00 13.77 C ATOM 6 CG MET A 1 11.765 -5.523 -1.408 1.00 16.29 C ATOM 7 SD MET A 1 12.425 -3.902 -0.932 1.00 17.17 S ATOM 8 CE MET A 1 10.969 -2.897 -1.587 1.00 16.11 C ATOM 0 H1 MET A 1 12.212 -7.370 -5.099 1.00 9.67 H new ATOM 0 H2 MET A 1 10.776 -8.271 -4.991 1.00 9.67 H new ATOM 0 H3 MET A 1 10.708 -6.587 -5.194 1.00 9.67 H new ATOM 0 HA MET A 1 11.989 -7.874 -2.932 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.636 -5.556 -3.355 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.957 -5.054 -3.326 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.773 -5.636 -0.971 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.396 -6.297 -0.970 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.991 -1.898 -1.151 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.038 -2.821 -2.672 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.035 -3.390 -1.316 1.00 16.11 H new ATOM 20 N GLN A 2 9.936 -8.420 -1.643 1.00 9.27 N ATOM 21 CA GLN A 2 8.688 -8.789 -1.107 1.00 9.07 C ATOM 22 C GLN A 2 8.211 -7.795 -0.031 1.00 8.72 C ATOM 23 O GLN A 2 8.910 -7.388 0.853 1.00 8.22 O ATOM 24 CB GLN A 2 8.850 -10.191 -0.404 1.00 14.46 C ATOM 25 CG GLN A 2 7.513 -10.730 0.217 1.00 17.01 C ATOM 26 CD GLN A 2 7.747 -12.229 0.504 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.049 -12.561 1.680 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.590 -13.125 -0.503 1.00 19.49 N ATOM 0 H GLN A 2 10.758 -8.802 -1.175 1.00 9.27 H new ATOM 0 HA GLN A 2 7.963 -8.808 -1.921 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.223 -10.913 -1.130 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.602 -10.112 0.381 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.264 -10.192 1.132 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.680 -10.591 -0.472 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.345 -12.802 -1.439 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.717 -14.121 -0.324 1.00 19.49 H new ATOM 37 N ILE A 3 6.905 -7.477 -0.066 1.00 5.87 N ATOM 38 CA ILE A 3 6.236 -6.672 0.941 1.00 5.07 C ATOM 39 C ILE A 3 4.917 -7.397 1.171 1.00 4.01 C ATOM 40 O ILE A 3 4.349 -8.067 0.325 1.00 4.61 O ATOM 41 CB ILE A 3 5.990 -5.173 0.567 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.064 -4.998 -0.707 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.433 -4.562 0.347 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.680 -3.518 -0.989 1.00 10.83 C ATOM 0 H ILE A 3 6.283 -7.784 -0.814 1.00 5.87 H new ATOM 0 HA ILE A 3 6.871 -6.590 1.823 1.00 5.07 H new ATOM 0 HB ILE A 3 5.446 -4.655 1.357 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.576 -5.406 -1.579 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.154 -5.582 -0.569 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.345 -3.509 0.080 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.012 -4.657 1.265 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.937 -5.099 -0.457 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.046 -3.469 -1.874 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.140 -3.113 -0.133 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.584 -2.933 -1.158 1.00 10.83 H new ATOM 56 N PHE A 4 4.373 -7.228 2.426 1.00 4.55 N ATOM 57 CA PHE A 4 3.137 -7.742 2.811 1.00 4.68 C ATOM 58 C PHE A 4 2.265 -6.526 2.986 1.00 5.30 C ATOM 59 O PHE A 4 2.687 -5.440 3.380 1.00 5.58 O ATOM 60 CB PHE A 4 3.225 -8.445 4.162 1.00 4.83 C ATOM 61 CG PHE A 4 4.311 -9.479 4.082 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.212 -10.607 3.295 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.392 -9.365 4.933 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.165 -11.616 3.326 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.350 -10.405 4.994 1.00 10.61 C ATOM 66 CZ PHE A 4 6.255 -11.493 4.170 1.00 8.90 C ATOM 0 H PHE A 4 4.844 -6.709 3.167 1.00 4.55 H new ATOM 0 HA PHE A 4 2.768 -8.462 2.081 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.442 -7.726 4.952 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.272 -8.913 4.410 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.365 -10.709 2.633 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.506 -8.486 5.550 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.057 -12.488 2.698 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.165 -10.339 5.699 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.025 -12.250 4.178 1.00 8.90 H new ATOM 76 N VAL A 5 0.915 -6.679 2.733 1.00 4.44 N ATOM 77 CA VAL A 5 -0.010 -5.629 2.946 1.00 3.87 C ATOM 78 C VAL A 5 -1.142 -6.308 3.672 1.00 4.93 C ATOM 79 O VAL A 5 -1.718 -7.325 3.281 1.00 6.84 O ATOM 80 CB VAL A 5 -0.381 -4.900 1.628 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.362 -3.778 2.103 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.919 -4.299 0.981 1.00 9.13 C ATOM 0 H VAL A 5 0.497 -7.541 2.382 1.00 4.44 H new ATOM 0 HA VAL A 5 0.376 -4.801 3.540 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.829 -5.543 0.871 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.691 -3.194 1.243 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.227 -4.232 2.586 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.852 -3.125 2.811 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.661 -3.786 0.055 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.376 -3.591 1.673 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.624 -5.103 0.767 1.00 9.13 H new ATOM 92 N LYS A 6 -1.450 -5.746 4.860 1.00 6.04 N ATOM 93 CA LYS A 6 -2.218 -6.287 5.935 1.00 6.12 C ATOM 94 C LYS A 6 -3.428 -5.414 6.313 1.00 6.57 C ATOM 95 O LYS A 6 -3.349 -4.193 6.595 1.00 5.76 O ATOM 96 CB LYS A 6 -1.249 -6.319 7.159 1.00 7.45 C ATOM 97 CG LYS A 6 -1.867 -7.068 8.349 1.00 11.12 C ATOM 98 CD LYS A 6 -0.909 -7.327 9.470 1.00 14.54 C ATOM 99 CE LYS A 6 -1.462 -8.200 10.635 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.499 -8.541 11.634 1.00 20.55 N ATOM 0 H LYS A 6 -1.120 -4.807 5.084 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.610 -7.262 5.644 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.314 -6.800 6.871 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.004 -5.299 7.457 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.709 -6.491 8.731 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.266 -8.020 7.998 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.023 -7.814 9.063 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.587 -6.369 9.878 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.286 -7.668 11.110 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.874 -9.119 10.218 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.952 -9.121 12.369 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.278 -9.078 11.198 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.121 -7.672 12.063 1.00 20.55 H new ATOM 114 N THR A 7 -4.658 -5.991 6.256 1.00 7.41 N ATOM 115 CA THR A 7 -5.916 -5.253 6.128 1.00 7.48 C ATOM 116 C THR A 7 -6.648 -5.213 7.499 1.00 8.75 C ATOM 117 O THR A 7 -6.293 -5.910 8.503 1.00 8.58 O ATOM 118 CB THR A 7 -6.883 -5.888 5.129 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.564 -7.038 5.561 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.116 -6.205 3.850 1.00 9.17 C ATOM 0 H THR A 7 -4.791 -7.001 6.300 1.00 7.41 H new ATOM 0 HA THR A 7 -5.644 -4.258 5.776 1.00 7.48 H new ATOM 0 HB THR A 7 -7.670 -5.149 4.981 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.154 -7.357 4.846 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.791 -6.659 3.124 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.704 -5.285 3.436 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.305 -6.898 4.074 1.00 9.17 H new ATOM 128 N LEU A 8 -7.745 -4.496 7.622 1.00 9.84 N ATOM 129 CA LEU A 8 -8.513 -4.361 8.863 1.00 14.15 C ATOM 130 C LEU A 8 -8.874 -5.571 9.646 1.00 17.37 C ATOM 131 O LEU A 8 -8.979 -5.555 10.888 1.00 17.01 O ATOM 132 CB LEU A 8 -9.845 -3.649 8.485 1.00 16.63 C ATOM 133 CG LEU A 8 -9.691 -2.356 7.642 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.031 -1.925 7.040 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.089 -1.305 8.556 1.00 18.59 C ATOM 0 H LEU A 8 -8.147 -3.972 6.845 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.833 -3.829 9.529 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.469 -4.351 7.932 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.379 -3.403 9.403 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.034 -2.516 6.787 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.891 -1.016 6.455 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.412 -2.717 6.395 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.745 -1.735 7.841 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.961 -0.373 8.005 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.753 -1.137 9.404 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.120 -1.649 8.917 1.00 18.59 H new ATOM 147 N THR A 9 -9.178 -6.675 8.991 1.00 18.33 N ATOM 148 CA THR A 9 -9.678 -7.908 9.497 1.00 19.24 C ATOM 149 C THR A 9 -8.504 -8.813 9.925 1.00 19.48 C ATOM 150 O THR A 9 -8.718 -9.962 10.310 1.00 23.14 O ATOM 151 CB THR A 9 -10.588 -8.624 8.515 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.046 -8.639 7.218 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.733 -7.685 8.437 1.00 19.70 C ATOM 0 H THR A 9 -9.062 -6.718 7.979 1.00 18.33 H new ATOM 0 HA THR A 9 -10.293 -7.678 10.367 1.00 19.24 H new ATOM 0 HB THR A 9 -10.788 -9.650 8.823 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.657 -9.109 6.613 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.482 -8.081 7.751 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.174 -7.566 9.427 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.386 -6.717 8.076 1.00 19.70 H new ATOM 161 N GLY A 10 -7.278 -8.293 9.748 1.00 19.43 N ATOM 162 CA GLY A 10 -5.942 -9.009 9.934 1.00 18.74 C ATOM 163 C GLY A 10 -5.392 -9.760 8.768 1.00 17.62 C ATOM 164 O GLY A 10 -4.370 -10.415 8.862 1.00 19.74 O ATOM 0 H GLY A 10 -7.152 -7.323 9.459 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.202 -8.267 10.235 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.048 -9.708 10.764 1.00 18.74 H new ATOM 168 N LYS A 11 -6.089 -9.701 7.599 1.00 13.56 N ATOM 169 CA LYS A 11 -5.768 -10.554 6.475 1.00 11.91 C ATOM 170 C LYS A 11 -4.477 -10.054 5.740 1.00 10.18 C ATOM 171 O LYS A 11 -4.258 -8.853 5.616 1.00 9.10 O ATOM 172 CB LYS A 11 -6.860 -10.529 5.416 1.00 13.43 C ATOM 173 CG LYS A 11 -6.588 -11.448 4.197 1.00 16.69 C ATOM 174 CD LYS A 11 -7.737 -11.261 3.229 1.00 17.92 C ATOM 175 CE LYS A 11 -7.889 -9.842 2.673 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.045 -9.671 1.866 1.00 21.93 N ATOM 0 H LYS A 11 -6.870 -9.066 7.435 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.643 -11.552 6.894 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.803 -10.825 5.876 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.985 -9.505 5.064 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.641 -11.189 3.724 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.514 -12.490 4.510 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.606 -11.950 2.395 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.664 -11.540 3.730 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.928 -9.137 3.503 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.005 -9.594 2.085 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.778 -9.718 0.862 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.730 -10.424 2.077 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.475 -8.746 2.067 1.00 21.93 H new ATOM 190 N THR A 12 -3.600 -10.969 5.271 1.00 9.63 N ATOM 191 CA THR A 12 -2.307 -10.602 4.773 1.00 9.85 C ATOM 192 C THR A 12 -2.192 -10.986 3.302 1.00 11.66 C ATOM 193 O THR A 12 -2.387 -12.126 2.932 1.00 12.33 O ATOM 194 CB THR A 12 -1.211 -11.281 5.506 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.343 -10.890 6.900 1.00 10.91 O ATOM 196 CG2 THR A 12 0.212 -10.974 5.127 1.00 9.63 C ATOM 0 H THR A 12 -3.791 -11.970 5.238 1.00 9.63 H new ATOM 0 HA THR A 12 -2.209 -9.525 4.910 1.00 9.85 H new ATOM 0 HB THR A 12 -1.343 -12.336 5.265 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.637 -11.318 7.428 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.889 -11.551 5.757 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.375 -11.237 4.082 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.405 -9.910 5.267 1.00 9.63 H new ATOM 204 N ILE A 13 -1.983 -9.992 2.443 1.00 10.42 N ATOM 205 CA ILE A 13 -1.647 -10.303 1.072 1.00 11.84 C ATOM 206 C ILE A 13 -0.143 -10.166 0.965 1.00 10.55 C ATOM 207 O ILE A 13 0.452 -9.341 1.639 1.00 11.92 O ATOM 208 CB ILE A 13 -2.397 -9.532 -0.006 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.226 -8.015 0.014 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.886 -10.097 -0.101 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.119 -7.384 -1.084 1.00 16.46 C ATOM 0 H ILE A 13 -2.039 -8.999 2.668 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.983 -11.318 0.860 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.920 -9.725 -0.967 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.499 -7.620 0.992 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.182 -7.753 -0.156 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.433 -9.552 -0.870 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.858 -11.156 -0.357 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.386 -9.969 0.859 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.999 -6.301 -1.072 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.825 -7.771 -2.059 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.162 -7.636 -0.894 1.00 16.46 H new ATOM 223 N THR A 14 0.478 -10.955 0.042 1.00 9.39 N ATOM 224 CA THR A 14 1.913 -10.935 -0.290 1.00 9.63 C ATOM 225 C THR A 14 2.073 -10.384 -1.723 1.00 11.20 C ATOM 226 O THR A 14 1.318 -10.808 -2.668 1.00 11.63 O ATOM 227 CB THR A 14 2.550 -12.309 -0.241 1.00 10.38 C ATOM 228 OG1 THR A 14 2.319 -12.846 1.052 1.00 16.30 O ATOM 229 CG2 THR A 14 4.058 -12.336 -0.575 1.00 11.66 C ATOM 0 H THR A 14 -0.036 -11.645 -0.506 1.00 9.39 H new ATOM 0 HA THR A 14 2.411 -10.311 0.452 1.00 9.63 H new ATOM 0 HB THR A 14 2.087 -12.911 -1.022 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.720 -13.738 1.112 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.426 -13.360 -0.514 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.214 -11.953 -1.584 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.600 -11.713 0.137 1.00 11.66 H new ATOM 237 N LEU A 15 3.035 -9.492 -1.951 1.00 8.29 N ATOM 238 CA LEU A 15 3.240 -8.777 -3.182 1.00 9.03 C ATOM 239 C LEU A 15 4.687 -8.942 -3.516 1.00 8.59 C ATOM 240 O LEU A 15 5.490 -9.160 -2.610 1.00 7.79 O ATOM 241 CB LEU A 15 2.811 -7.342 -2.996 1.00 11.08 C ATOM 242 CG LEU A 15 1.322 -7.179 -2.470 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.243 -5.624 -2.155 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.287 -7.675 -3.427 1.00 15.27 C ATOM 0 H LEU A 15 3.721 -9.245 -1.237 1.00 8.29 H new ATOM 0 HA LEU A 15 2.644 -9.155 -4.013 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.489 -6.858 -2.293 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.910 -6.817 -3.946 1.00 11.08 H new ATOM 0 HG LEU A 15 1.101 -7.793 -1.597 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.250 -5.379 -1.779 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.989 -5.367 -1.403 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.436 -5.058 -3.066 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.704 -7.530 -2.998 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.362 -7.121 -4.363 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.448 -8.736 -3.619 1.00 15.27 H new ATOM 256 N GLU A 16 5.031 -8.753 -4.822 1.00 11.04 N ATOM 257 CA GLU A 16 6.329 -8.717 -5.297 1.00 11.50 C ATOM 258 C GLU A 16 6.540 -7.419 -6.041 1.00 10.13 C ATOM 259 O GLU A 16 5.708 -7.127 -6.913 1.00 9.83 O ATOM 260 CB GLU A 16 6.574 -9.864 -6.273 1.00 17.22 C ATOM 261 CG GLU A 16 8.087 -10.002 -6.647 1.00 23.33 C ATOM 262 CD GLU A 16 8.889 -10.453 -5.438 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.460 -11.462 -4.850 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.997 -9.922 -5.144 1.00 28.90 O ATOM 0 H GLU A 16 4.335 -8.622 -5.556 1.00 11.04 H new ATOM 0 HA GLU A 16 7.013 -8.804 -4.453 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.223 -10.797 -5.832 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.990 -9.700 -7.179 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.204 -10.720 -7.458 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.468 -9.047 -7.009 1.00 23.33 H new ATOM 271 N VAL A 17 7.520 -6.512 -5.650 1.00 8.99 N ATOM 272 CA VAL A 17 7.533 -5.080 -6.072 1.00 8.85 C ATOM 273 C VAL A 17 8.954 -4.675 -6.205 1.00 8.04 C ATOM 274 O VAL A 17 9.835 -5.295 -5.576 1.00 8.99 O ATOM 275 CB VAL A 17 6.767 -4.110 -5.159 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.251 -4.319 -5.188 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.270 -4.184 -3.687 1.00 10.54 C ATOM 0 H VAL A 17 8.301 -6.765 -5.045 1.00 8.99 H new ATOM 0 HA VAL A 17 6.992 -5.014 -7.016 1.00 8.85 H new ATOM 0 HB VAL A 17 6.972 -3.119 -5.563 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.772 -3.602 -4.522 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.883 -4.173 -6.203 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.017 -5.332 -4.860 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.704 -3.483 -3.073 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.131 -5.195 -3.305 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.328 -3.925 -3.651 1.00 10.54 H new ATOM 287 N GLU A 18 9.258 -3.632 -6.914 1.00 7.29 N ATOM 288 CA GLU A 18 10.613 -3.149 -6.877 1.00 7.08 C ATOM 289 C GLU A 18 10.660 -1.942 -5.992 1.00 6.45 C ATOM 290 O GLU A 18 9.647 -1.264 -5.963 1.00 5.28 O ATOM 291 CB GLU A 18 10.994 -2.643 -8.354 1.00 10.28 C ATOM 292 CG GLU A 18 10.881 -3.742 -9.373 1.00 12.65 C ATOM 293 CD GLU A 18 11.657 -5.035 -9.034 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.781 -4.945 -8.500 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.071 -6.143 -9.272 1.00 14.33 O ATOM 0 H GLU A 18 8.614 -3.110 -7.508 1.00 7.29 H new ATOM 0 HA GLU A 18 11.284 -3.932 -6.524 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.338 -1.819 -8.635 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.012 -2.254 -8.352 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.828 -3.992 -9.499 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.236 -3.365 -10.332 1.00 12.65 H new ATOM 302 N PRO A 19 11.754 -1.578 -5.230 1.00 7.24 N ATOM 303 CA PRO A 19 11.835 -0.373 -4.406 1.00 7.07 C ATOM 304 C PRO A 19 11.550 0.970 -5.130 1.00 6.65 C ATOM 305 O PRO A 19 11.282 1.930 -4.465 1.00 6.37 O ATOM 306 CB PRO A 19 13.295 -0.359 -3.797 1.00 7.61 C ATOM 307 CG PRO A 19 13.685 -1.790 -3.865 1.00 8.16 C ATOM 308 CD PRO A 19 13.059 -2.249 -5.203 1.00 7.49 C ATOM 0 HA PRO A 19 11.043 -0.431 -3.659 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.969 0.273 -4.374 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.304 0.016 -2.774 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.768 -1.915 -3.860 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.295 -2.357 -3.020 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.676 -1.958 -6.053 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.952 -3.333 -5.243 1.00 7.49 H new ATOM 316 N SER A 20 11.613 0.965 -6.448 1.00 6.80 N ATOM 317 CA SER A 20 11.337 2.167 -7.263 1.00 6.28 C ATOM 318 C SER A 20 9.994 2.132 -7.868 1.00 8.45 C ATOM 319 O SER A 20 9.547 3.134 -8.403 1.00 7.26 O ATOM 320 CB SER A 20 12.289 2.229 -8.560 1.00 8.57 C ATOM 321 OG SER A 20 12.299 1.062 -9.373 1.00 11.13 O ATOM 0 H SER A 20 11.854 0.139 -6.996 1.00 6.80 H new ATOM 0 HA SER A 20 11.476 2.998 -6.571 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.981 3.075 -9.174 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.309 2.429 -8.231 1.00 8.57 H new ATOM 0 HG SER A 20 12.903 1.198 -10.133 1.00 11.13 H new ATOM 327 N ASP A 21 9.175 1.045 -7.680 1.00 7.50 N ATOM 328 CA ASP A 21 7.749 1.215 -7.907 1.00 7.70 C ATOM 329 C ASP A 21 7.077 2.319 -7.077 1.00 7.08 C ATOM 330 O ASP A 21 7.417 2.392 -5.872 1.00 8.11 O ATOM 331 CB ASP A 21 7.022 -0.110 -7.835 1.00 11.00 C ATOM 332 CG ASP A 21 7.460 -1.070 -8.858 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.869 -0.706 -10.036 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.382 -2.290 -8.517 1.00 18.03 O ATOM 0 H ASP A 21 9.476 0.114 -7.392 1.00 7.50 H new ATOM 0 HA ASP A 21 7.663 1.590 -8.927 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.174 -0.547 -6.848 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.952 0.064 -7.945 1.00 11.00 H new ATOM 339 N THR A 22 6.093 3.085 -7.668 1.00 5.37 N ATOM 340 CA THR A 22 5.321 4.066 -6.903 1.00 6.01 C ATOM 341 C THR A 22 4.249 3.378 -5.990 1.00 8.01 C ATOM 342 O THR A 22 3.870 2.257 -6.247 1.00 8.11 O ATOM 343 CB THR A 22 4.664 5.065 -7.844 1.00 8.92 C ATOM 344 OG1 THR A 22 3.984 4.394 -8.823 1.00 10.22 O ATOM 345 CG2 THR A 22 5.676 6.004 -8.492 1.00 9.65 C ATOM 0 H THR A 22 5.839 3.025 -8.654 1.00 5.37 H new ATOM 0 HA THR A 22 6.012 4.597 -6.248 1.00 6.01 H new ATOM 0 HB THR A 22 3.982 5.671 -7.248 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.560 5.039 -9.427 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.157 6.697 -9.154 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.200 6.565 -7.718 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.396 5.422 -9.068 1.00 9.65 H new ATOM 353 N ILE A 23 3.934 4.096 -4.872 1.00 8.32 N ATOM 354 CA ILE A 23 2.788 3.703 -4.011 1.00 9.92 C ATOM 355 C ILE A 23 1.459 3.635 -4.686 1.00 10.01 C ATOM 356 O ILE A 23 0.748 2.618 -4.518 1.00 8.71 O ATOM 357 CB ILE A 23 2.607 4.745 -2.903 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.894 4.782 -2.033 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.467 4.473 -1.917 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.351 3.445 -1.510 1.00 12.30 C ATOM 0 H ILE A 23 4.442 4.923 -4.557 1.00 8.32 H new ATOM 0 HA ILE A 23 3.053 2.703 -3.668 1.00 9.92 H new ATOM 0 HB ILE A 23 2.383 5.669 -3.435 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.700 5.219 -2.623 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.722 5.447 -1.186 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.429 5.271 -1.176 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.521 4.433 -2.457 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.639 3.521 -1.416 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.255 3.577 -0.916 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.568 3.011 -0.888 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.561 2.779 -2.347 1.00 12.30 H new ATOM 372 N GLU A 24 1.187 4.587 -5.640 1.00 9.54 N ATOM 373 CA GLU A 24 0.077 4.387 -6.564 1.00 11.81 C ATOM 374 C GLU A 24 0.043 3.076 -7.318 1.00 11.14 C ATOM 375 O GLU A 24 -0.930 2.333 -7.278 1.00 10.62 O ATOM 376 CB GLU A 24 -0.069 5.486 -7.618 1.00 19.24 C ATOM 377 CG GLU A 24 -1.428 5.513 -8.287 1.00 27.76 C ATOM 378 CD GLU A 24 -1.577 6.687 -9.229 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.024 6.609 -10.375 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.289 7.728 -8.896 1.00 34.80 O ATOM 0 H GLU A 24 1.710 5.454 -5.766 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.749 4.401 -5.853 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.115 6.453 -7.149 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.698 5.350 -8.380 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.578 4.585 -8.839 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.206 5.560 -7.525 1.00 27.76 H new ATOM 387 N ASN A 25 1.218 2.690 -7.940 1.00 9.43 N ATOM 388 CA ASN A 25 1.431 1.441 -8.583 1.00 10.96 C ATOM 389 C ASN A 25 1.187 0.216 -7.699 1.00 9.68 C ATOM 390 O ASN A 25 0.463 -0.738 -8.127 1.00 9.33 O ATOM 391 CB ASN A 25 2.847 1.264 -9.225 1.00 16.78 C ATOM 392 CG ASN A 25 3.048 -0.029 -10.020 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.272 -1.047 -9.395 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.021 -0.060 -11.378 1.00 24.70 N ATOM 0 H ASN A 25 2.036 3.298 -7.979 1.00 9.43 H new ATOM 0 HA ASN A 25 0.676 1.485 -9.368 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.037 2.110 -9.885 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.595 1.304 -8.433 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.189 -0.937 -11.872 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.833 0.793 -11.904 1.00 24.70 H new ATOM 401 N VAL A 26 1.739 0.180 -6.423 1.00 6.52 N ATOM 402 CA VAL A 26 1.426 -0.804 -5.394 1.00 5.53 C ATOM 403 C VAL A 26 -0.025 -0.871 -5.129 1.00 4.42 C ATOM 404 O VAL A 26 -0.569 -1.976 -5.014 1.00 3.40 O ATOM 405 CB VAL A 26 2.169 -0.569 -4.071 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.824 -1.570 -2.974 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.691 -0.748 -4.357 1.00 8.12 C ATOM 0 H VAL A 26 2.426 0.867 -6.112 1.00 6.52 H new ATOM 0 HA VAL A 26 1.771 -1.754 -5.801 1.00 5.53 H new ATOM 0 HB VAL A 26 1.883 0.423 -3.722 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.391 -1.333 -2.074 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.758 -1.517 -2.755 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.076 -2.577 -3.308 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.255 -0.588 -3.438 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.876 -1.757 -4.726 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.008 -0.024 -5.108 1.00 8.12 H new ATOM 417 N LYS A 27 -0.709 0.306 -5.062 1.00 2.64 N ATOM 418 CA LYS A 27 -2.168 0.267 -5.006 1.00 4.14 C ATOM 419 C LYS A 27 -2.931 -0.399 -6.195 1.00 5.58 C ATOM 420 O LYS A 27 -3.883 -1.191 -6.067 1.00 4.11 O ATOM 421 CB LYS A 27 -2.870 1.608 -4.739 1.00 3.97 C ATOM 422 CG LYS A 27 -2.461 2.330 -3.471 1.00 7.45 C ATOM 423 CD LYS A 27 -3.220 3.600 -3.052 1.00 9.02 C ATOM 424 CE LYS A 27 -2.824 4.751 -3.978 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.686 5.877 -3.670 1.00 15.47 N ATOM 0 H LYS A 27 -0.288 1.235 -5.047 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.242 -0.388 -4.138 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.683 2.268 -5.586 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.945 1.432 -4.703 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.535 1.618 -2.649 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.408 2.595 -3.569 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.295 3.429 -3.104 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.987 3.853 -2.018 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.778 5.018 -3.831 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.935 4.458 -5.022 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.312 6.066 -4.479 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.260 5.655 -2.832 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.104 6.717 -3.479 1.00 15.47 H new ATOM 439 N ALA A 28 -2.459 -0.153 -7.439 1.00 6.61 N ATOM 440 CA ALA A 28 -2.952 -0.740 -8.624 1.00 7.74 C ATOM 441 C ALA A 28 -2.564 -2.275 -8.664 1.00 9.17 C ATOM 442 O ALA A 28 -3.302 -3.079 -9.267 1.00 11.45 O ATOM 443 CB ALA A 28 -2.357 0.128 -9.833 1.00 7.68 C ATOM 0 H ALA A 28 -1.690 0.495 -7.610 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.040 -0.727 -8.692 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.706 -0.281 -10.781 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.692 1.161 -9.738 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.268 0.095 -9.803 1.00 7.68 H new ATOM 449 N LYS A 29 -1.481 -2.752 -8.025 1.00 8.96 N ATOM 450 CA LYS A 29 -1.174 -4.223 -7.777 1.00 7.90 C ATOM 451 C LYS A 29 -2.052 -4.889 -6.720 1.00 6.92 C ATOM 452 O LYS A 29 -2.388 -6.071 -6.841 1.00 6.87 O ATOM 453 CB LYS A 29 0.365 -4.295 -7.520 1.00 10.28 C ATOM 454 CG LYS A 29 0.915 -5.698 -7.398 1.00 14.94 C ATOM 455 CD LYS A 29 2.453 -5.676 -7.395 1.00 19.69 C ATOM 456 CE LYS A 29 2.948 -5.683 -8.850 1.00 22.63 C ATOM 457 NZ LYS A 29 4.428 -5.710 -9.028 1.00 24.98 N ATOM 0 H LYS A 29 -0.762 -2.134 -7.648 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.435 -4.828 -8.645 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.881 -3.786 -8.334 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.594 -3.748 -6.606 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.550 -6.159 -6.480 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.556 -6.309 -8.226 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.817 -4.789 -6.876 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.842 -6.542 -6.859 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.524 -6.551 -9.355 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.556 -4.799 -9.352 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.662 -6.188 -9.921 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.793 -4.736 -9.051 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.864 -6.224 -8.236 1.00 24.98 H new ATOM 471 N ILE A 30 -2.406 -4.140 -5.657 1.00 4.57 N ATOM 472 CA ILE A 30 -3.379 -4.534 -4.653 1.00 5.58 C ATOM 473 C ILE A 30 -4.774 -4.623 -5.238 1.00 7.26 C ATOM 474 O ILE A 30 -5.530 -5.575 -4.954 1.00 9.46 O ATOM 475 CB ILE A 30 -3.424 -3.642 -3.408 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.995 -3.695 -2.766 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.580 -4.054 -2.481 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.719 -2.535 -1.757 1.00 2.00 C ATOM 0 H ILE A 30 -2.004 -3.220 -5.480 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.033 -5.515 -4.326 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.647 -2.601 -3.643 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.872 -4.649 -2.253 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.248 -3.661 -3.559 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.592 -3.407 -1.604 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.526 -3.959 -3.015 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.443 -5.089 -2.166 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.712 -2.636 -1.353 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.810 -1.577 -2.270 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.443 -2.581 -0.943 1.00 2.00 H new ATOM 490 N GLN A 31 -5.132 -3.653 -6.118 1.00 7.06 N ATOM 491 CA GLN A 31 -6.387 -3.716 -6.877 1.00 8.67 C ATOM 492 C GLN A 31 -6.496 -4.917 -7.851 1.00 10.90 C ATOM 493 O GLN A 31 -7.516 -5.618 -7.941 1.00 9.63 O ATOM 494 CB GLN A 31 -6.566 -2.426 -7.734 1.00 9.12 C ATOM 495 CG GLN A 31 -7.990 -2.286 -8.427 1.00 10.76 C ATOM 496 CD GLN A 31 -7.961 -1.208 -9.570 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.892 -0.607 -9.794 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.183 -0.877 -10.027 1.00 14.76 N ATOM 0 H GLN A 31 -4.566 -2.827 -6.312 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.159 -3.826 -6.115 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.399 -1.557 -7.098 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.797 -2.409 -8.506 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.293 -3.249 -8.839 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.735 -2.009 -7.681 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.992 -1.446 -9.778 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.300 -0.057 -10.623 1.00 14.76 H new ATOM 507 N ASP A 32 -5.369 -5.217 -8.516 1.00 10.93 N ATOM 508 CA ASP A 32 -5.169 -6.443 -9.391 1.00 14.01 C ATOM 509 C ASP A 32 -5.353 -7.745 -8.656 1.00 14.04 C ATOM 510 O ASP A 32 -6.083 -8.644 -9.132 1.00 13.39 O ATOM 511 CB ASP A 32 -3.748 -6.346 -10.096 1.00 18.01 C ATOM 512 CG ASP A 32 -3.391 -7.509 -11.027 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.037 -7.734 -12.045 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.318 -8.137 -10.768 1.00 25.17 O ATOM 0 H ASP A 32 -4.542 -4.621 -8.478 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.952 -6.447 -10.149 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.709 -5.420 -10.669 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.983 -6.275 -9.323 1.00 18.01 H new ATOM 519 N LYS A 33 -4.793 -7.854 -7.437 1.00 14.22 N ATOM 520 CA LYS A 33 -5.062 -8.988 -6.476 1.00 14.00 C ATOM 521 C LYS A 33 -6.504 -9.027 -5.845 1.00 12.37 C ATOM 522 O LYS A 33 -7.194 -10.025 -6.073 1.00 12.17 O ATOM 523 CB LYS A 33 -4.016 -8.866 -5.374 1.00 18.62 C ATOM 524 CG LYS A 33 -3.946 -10.193 -4.510 1.00 24.00 C ATOM 525 CD LYS A 33 -2.530 -10.500 -3.862 1.00 27.61 C ATOM 526 CE LYS A 33 -1.459 -10.964 -4.841 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.733 -12.369 -5.280 1.00 30.06 N ATOM 0 H LYS A 33 -4.136 -7.165 -7.071 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.002 -9.919 -7.039 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.040 -8.662 -5.815 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.258 -8.020 -4.730 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.687 -10.129 -3.713 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.230 -11.035 -5.142 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.175 -9.601 -3.359 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.656 -11.265 -3.096 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.437 -10.303 -5.707 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.477 -10.907 -4.371 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.996 -12.674 -5.947 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.732 -12.998 -4.452 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.662 -12.412 -5.746 1.00 30.06 H new ATOM 541 N GLU A 34 -6.910 -8.018 -5.054 1.00 10.11 N ATOM 542 CA GLU A 34 -8.041 -8.103 -4.163 1.00 10.07 C ATOM 543 C GLU A 34 -9.246 -7.275 -4.581 1.00 9.32 C ATOM 544 O GLU A 34 -10.310 -7.278 -3.951 1.00 11.61 O ATOM 545 CB GLU A 34 -7.685 -7.754 -2.713 1.00 14.77 C ATOM 546 CG GLU A 34 -6.973 -8.833 -1.854 1.00 18.75 C ATOM 547 CD GLU A 34 -7.925 -10.006 -1.621 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.875 -9.888 -0.768 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.686 -11.103 -2.155 1.00 21.95 O ATOM 0 H GLU A 34 -6.442 -7.112 -5.028 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.324 -9.153 -4.230 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.049 -6.869 -2.730 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.606 -7.475 -2.201 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.070 -9.178 -2.358 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.662 -8.407 -0.900 1.00 18.75 H new ATOM 556 N GLY A 35 -9.177 -6.629 -5.756 1.00 7.22 N ATOM 557 CA GLY A 35 -10.363 -5.939 -6.339 1.00 6.29 C ATOM 558 C GLY A 35 -10.623 -4.599 -5.886 1.00 6.93 C ATOM 559 O GLY A 35 -11.640 -4.109 -6.331 1.00 7.41 O ATOM 0 H GLY A 35 -8.331 -6.564 -6.322 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.243 -5.914 -7.422 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.245 -6.545 -6.130 1.00 6.29 H new ATOM 563 N ILE A 36 -9.774 -4.028 -5.013 1.00 5.86 N ATOM 564 CA ILE A 36 -10.094 -2.834 -4.236 1.00 6.07 C ATOM 565 C ILE A 36 -9.672 -1.590 -5.081 1.00 6.36 C ATOM 566 O ILE A 36 -8.516 -1.482 -5.347 1.00 6.18 O ATOM 567 CB ILE A 36 -9.331 -2.752 -2.962 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.391 -4.037 -2.084 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.873 -1.592 -2.176 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.336 -3.985 -0.985 1.00 9.49 C ATOM 0 H ILE A 36 -8.839 -4.392 -4.831 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.159 -2.870 -4.006 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.281 -2.628 -3.227 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.382 -4.135 -1.640 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.232 -4.917 -2.707 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.332 -1.506 -1.234 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.749 -0.674 -2.750 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.932 -1.753 -1.973 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.394 -4.891 -0.382 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.346 -3.910 -1.434 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.513 -3.116 -0.351 1.00 9.49 H new ATOM 582 N PRO A 37 -10.551 -0.631 -5.578 1.00 8.65 N ATOM 583 CA PRO A 37 -10.086 0.617 -6.072 1.00 9.18 C ATOM 584 C PRO A 37 -9.023 1.356 -5.301 1.00 9.85 C ATOM 585 O PRO A 37 -9.281 1.494 -4.089 1.00 8.51 O ATOM 586 CB PRO A 37 -11.341 1.508 -6.207 1.00 11.42 C ATOM 587 CG PRO A 37 -12.513 0.436 -6.269 1.00 9.27 C ATOM 588 CD PRO A 37 -11.991 -0.565 -5.267 1.00 8.33 C ATOM 0 HA PRO A 37 -9.563 0.390 -7.001 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.453 2.184 -5.359 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.307 2.125 -7.105 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.478 0.853 -5.980 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.636 0.007 -7.264 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.167 -0.239 -4.242 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.473 -1.536 -5.380 1.00 8.33 H new ATOM 596 N PRO A 38 -7.846 1.817 -5.716 1.00 8.71 N ATOM 597 CA PRO A 38 -6.927 2.716 -5.038 1.00 9.08 C ATOM 598 C PRO A 38 -7.553 3.869 -4.250 1.00 9.28 C ATOM 599 O PRO A 38 -6.964 4.219 -3.226 1.00 6.50 O ATOM 600 CB PRO A 38 -6.002 3.241 -6.227 1.00 10.31 C ATOM 601 CG PRO A 38 -6.027 2.087 -7.306 1.00 10.81 C ATOM 602 CD PRO A 38 -7.395 1.475 -7.124 1.00 12.00 C ATOM 0 HA PRO A 38 -6.401 2.187 -4.243 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.382 4.175 -6.640 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.987 3.435 -5.881 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.891 2.476 -8.315 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.234 1.359 -7.135 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.095 1.869 -7.860 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.357 0.395 -7.266 1.00 12.00 H new ATOM 610 N ASP A 39 -8.770 4.344 -4.618 1.00 11.20 N ATOM 611 CA ASP A 39 -9.494 5.388 -3.994 1.00 14.96 C ATOM 612 C ASP A 39 -9.901 4.970 -2.568 1.00 13.99 C ATOM 613 O ASP A 39 -9.829 5.770 -1.615 1.00 13.75 O ATOM 614 CB ASP A 39 -10.752 5.838 -4.793 1.00 24.16 C ATOM 615 CG ASP A 39 -10.295 6.815 -5.839 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.776 7.920 -5.459 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.575 6.587 -7.025 1.00 34.22 O ATOM 0 H ASP A 39 -9.272 3.955 -5.417 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.824 6.247 -3.960 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.240 4.980 -5.256 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.483 6.300 -4.129 1.00 24.16 H new ATOM 622 N GLN A 40 -10.264 3.692 -2.389 1.00 11.60 N ATOM 623 CA GLN A 40 -10.727 3.170 -1.117 1.00 10.76 C ATOM 624 C GLN A 40 -9.568 2.690 -0.320 1.00 8.01 C ATOM 625 O GLN A 40 -9.731 2.392 0.872 1.00 8.96 O ATOM 626 CB GLN A 40 -11.705 1.890 -1.345 1.00 11.14 C ATOM 627 CG GLN A 40 -12.918 2.219 -2.296 1.00 14.85 C ATOM 628 CD GLN A 40 -13.818 1.001 -2.359 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.483 -0.139 -1.991 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.091 1.247 -2.771 1.00 18.16 N ATOM 0 H GLN A 40 -10.241 2.996 -3.134 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.259 3.971 -0.604 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.129 1.067 -1.768 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.085 1.551 -0.381 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.471 3.081 -1.922 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.560 2.478 -3.292 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.358 2.185 -3.071 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.779 0.494 -2.780 1.00 18.16 H new ATOM 639 N GLN A 41 -8.373 2.635 -0.856 1.00 6.52 N ATOM 640 CA GLN A 41 -7.157 2.126 -0.093 1.00 3.87 C ATOM 641 C GLN A 41 -6.441 3.326 0.566 1.00 4.79 C ATOM 642 O GLN A 41 -6.267 4.493 0.093 1.00 6.34 O ATOM 643 CB GLN A 41 -6.144 1.503 -1.078 1.00 4.20 C ATOM 644 CG GLN A 41 -6.687 0.356 -1.845 1.00 3.20 C ATOM 645 CD GLN A 41 -5.609 -0.278 -2.722 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.468 -0.447 -2.323 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.942 -0.724 -3.964 1.00 7.13 N ATOM 0 H GLN A 41 -8.171 2.926 -1.813 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.489 1.394 0.644 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.811 2.271 -1.776 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.266 1.174 -0.523 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.086 -0.390 -1.157 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.517 0.691 -2.468 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.890 -0.592 -4.316 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.243 -1.190 -4.543 1.00 7.13 H new ATOM 656 N ARG A 42 -5.964 3.097 1.835 1.00 5.73 N ATOM 657 CA ARG A 42 -5.127 3.978 2.577 1.00 6.97 C ATOM 658 C ARG A 42 -4.025 3.209 3.302 1.00 7.15 C ATOM 659 O ARG A 42 -4.191 2.675 4.380 1.00 7.33 O ATOM 660 CB ARG A 42 -5.984 4.721 3.639 1.00 13.23 C ATOM 661 CG ARG A 42 -5.103 5.757 4.452 1.00 21.27 C ATOM 662 CD ARG A 42 -5.971 6.487 5.447 1.00 26.14 C ATOM 663 NE ARG A 42 -7.020 7.265 4.695 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.660 8.289 5.261 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.593 8.448 6.593 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.232 9.222 4.529 1.00 36.39 N ATOM 0 H ARG A 42 -6.188 2.245 2.349 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.671 4.682 1.881 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.806 5.242 3.149 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.428 3.999 4.324 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.297 5.237 4.970 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.637 6.468 3.770 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.442 5.779 6.128 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.365 7.159 6.055 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.245 7.003 3.735 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.057 7.790 7.159 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.078 9.227 7.039 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.190 9.169 3.511 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.717 9.998 4.980 1.00 36.39 H new ATOM 680 N LEU A 43 -2.791 3.246 2.744 1.00 4.65 N ATOM 681 CA LEU A 43 -1.610 2.501 3.293 1.00 3.51 C ATOM 682 C LEU A 43 -0.948 3.320 4.397 1.00 5.56 C ATOM 683 O LEU A 43 -0.552 4.480 4.211 1.00 4.19 O ATOM 684 CB LEU A 43 -0.633 2.214 2.133 1.00 3.74 C ATOM 685 CG LEU A 43 -1.211 1.223 1.075 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.312 1.152 -0.192 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.321 -0.260 1.558 1.00 6.41 C ATOM 0 H LEU A 43 -2.577 3.787 1.906 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.923 1.554 3.733 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.377 3.152 1.641 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.292 1.804 2.538 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.204 1.629 0.880 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.745 0.452 -0.907 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.245 2.140 -0.647 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.685 0.813 0.088 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.732 -0.874 0.757 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.331 -0.629 1.827 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.976 -0.312 2.428 1.00 6.41 H new ATOM 699 N ILE A 44 -0.935 2.658 5.630 1.00 4.58 N ATOM 700 CA ILE A 44 -0.261 3.183 6.856 1.00 5.55 C ATOM 701 C ILE A 44 1.086 2.506 7.023 1.00 5.46 C ATOM 702 O ILE A 44 1.176 1.293 7.148 1.00 6.04 O ATOM 703 CB ILE A 44 -1.136 2.936 8.103 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.591 3.439 7.991 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.597 3.632 9.338 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.820 4.857 7.480 1.00 13.90 C ATOM 0 H ILE A 44 -1.392 1.758 5.777 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.115 4.258 6.746 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.113 1.849 8.179 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.131 2.756 7.335 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.048 3.361 8.977 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.250 3.425 10.186 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.406 3.264 9.554 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.559 4.707 9.163 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.889 5.067 7.456 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.325 5.567 8.143 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.409 4.952 6.475 1.00 13.90 H new ATOM 718 N PHE A 45 2.126 3.278 7.073 1.00 6.75 N ATOM 719 CA PHE A 45 3.409 2.684 7.492 1.00 4.70 C ATOM 720 C PHE A 45 4.200 3.741 8.251 1.00 6.34 C ATOM 721 O PHE A 45 4.107 4.911 7.870 1.00 5.45 O ATOM 722 CB PHE A 45 4.230 2.162 6.266 1.00 5.51 C ATOM 723 CG PHE A 45 5.470 1.462 6.695 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.360 0.268 7.403 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.727 1.983 6.445 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.499 -0.317 7.958 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.847 1.356 6.942 1.00 6.64 C ATOM 728 CZ PHE A 45 7.813 0.191 7.733 1.00 6.84 C ATOM 0 H PHE A 45 2.143 4.272 6.847 1.00 6.75 H new ATOM 0 HA PHE A 45 3.213 1.824 8.133 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.613 1.483 5.677 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.490 2.999 5.618 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.396 -0.204 7.522 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.830 2.884 5.858 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.381 -1.190 8.583 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.811 1.784 6.711 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.701 -0.275 8.133 1.00 6.84 H new ATOM 738 N ALA A 46 4.957 3.350 9.289 1.00 6.53 N ATOM 739 CA ALA A 46 5.745 4.218 10.135 1.00 7.15 C ATOM 740 C ALA A 46 4.972 5.378 10.683 1.00 9.00 C ATOM 741 O ALA A 46 5.495 6.485 10.742 1.00 11.15 O ATOM 742 CB ALA A 46 7.038 4.729 9.466 1.00 8.99 C ATOM 0 H ALA A 46 5.030 2.370 9.562 1.00 6.53 H new ATOM 0 HA ALA A 46 6.029 3.574 10.967 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.577 5.374 10.160 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.667 3.881 9.196 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.785 5.294 8.569 1.00 8.99 H new ATOM 748 N GLY A 47 3.694 5.174 11.074 1.00 9.35 N ATOM 749 CA GLY A 47 2.883 6.168 11.691 1.00 11.68 C ATOM 750 C GLY A 47 2.253 7.113 10.655 1.00 11.14 C ATOM 751 O GLY A 47 1.603 8.110 11.051 1.00 13.93 O ATOM 0 H GLY A 47 3.216 4.281 10.952 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.095 5.686 12.270 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.486 6.746 12.391 1.00 11.68 H new ATOM 755 N LYS A 48 2.279 6.840 9.334 1.00 10.47 N ATOM 756 CA LYS A 48 1.899 7.804 8.280 1.00 8.82 C ATOM 757 C LYS A 48 1.203 7.228 7.063 1.00 7.68 C ATOM 758 O LYS A 48 1.452 6.064 6.686 1.00 6.47 O ATOM 759 CB LYS A 48 3.097 8.711 7.752 1.00 9.74 C ATOM 760 CG LYS A 48 3.964 9.399 8.831 1.00 14.14 C ATOM 761 CD LYS A 48 4.873 10.475 8.232 1.00 16.32 C ATOM 762 CE LYS A 48 5.896 10.003 7.115 1.00 20.04 C ATOM 763 NZ LYS A 48 6.842 9.052 7.732 1.00 23.92 N ATOM 0 H LYS A 48 2.568 5.934 8.965 1.00 10.47 H new ATOM 0 HA LYS A 48 1.179 8.409 8.831 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.748 8.092 7.134 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.682 9.483 7.104 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.317 9.848 9.584 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.573 8.651 9.339 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.242 11.256 7.807 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.441 10.930 9.043 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.366 9.530 6.288 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.431 10.859 6.703 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.524 8.728 7.017 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.351 9.522 8.508 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.318 8.235 8.106 1.00 23.92 H new ATOM 777 N GLN A 49 0.382 8.046 6.406 1.00 8.89 N ATOM 778 CA GLN A 49 -0.369 7.588 5.341 1.00 7.18 C ATOM 779 C GLN A 49 0.357 7.853 4.058 1.00 8.23 C ATOM 780 O GLN A 49 0.782 8.938 3.697 1.00 9.70 O ATOM 781 CB GLN A 49 -1.884 8.104 5.245 1.00 11.67 C ATOM 782 CG GLN A 49 -2.143 9.546 4.772 1.00 15.82 C ATOM 783 CD GLN A 49 -3.631 9.815 4.660 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.288 10.445 5.513 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.281 9.277 3.607 1.00 20.67 N ATOM 0 H GLN A 49 0.251 9.032 6.630 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.476 6.520 5.528 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.420 7.434 4.573 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.334 7.993 6.231 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.693 10.250 5.472 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.665 9.708 3.806 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.762 8.758 2.898 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.291 9.389 3.520 1.00 20.67 H new ATOM 794 N LEU A 50 0.611 6.782 3.267 1.00 6.51 N ATOM 795 CA LEU A 50 1.595 6.851 2.132 1.00 7.41 C ATOM 796 C LEU A 50 1.045 7.538 0.922 1.00 8.27 C ATOM 797 O LEU A 50 -0.112 7.316 0.593 1.00 8.34 O ATOM 798 CB LEU A 50 2.205 5.448 1.816 1.00 7.13 C ATOM 799 CG LEU A 50 2.772 4.709 2.974 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.242 3.283 2.498 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.880 5.452 3.750 1.00 9.11 C ATOM 0 H LEU A 50 0.164 5.872 3.381 1.00 6.51 H new ATOM 0 HA LEU A 50 2.418 7.483 2.466 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.430 4.831 1.361 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.991 5.575 1.071 1.00 7.13 H new ATOM 0 HG LEU A 50 1.969 4.616 3.706 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.659 2.736 3.344 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.390 2.735 2.096 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.003 3.390 1.725 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.227 4.829 4.575 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.713 5.665 3.080 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.483 6.388 4.144 1.00 9.11 H new ATOM 813 N GLU A 51 1.934 8.261 0.180 1.00 9.43 N ATOM 814 CA GLU A 51 1.438 9.204 -0.930 1.00 11.90 C ATOM 815 C GLU A 51 1.764 8.673 -2.326 1.00 11.49 C ATOM 816 O GLU A 51 2.859 8.149 -2.617 1.00 9.88 O ATOM 817 CB GLU A 51 2.169 10.614 -0.760 1.00 16.56 C ATOM 818 CG GLU A 51 1.683 11.745 -1.789 1.00 26.06 C ATOM 819 CD GLU A 51 2.185 13.085 -1.389 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.422 13.358 -1.487 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.339 13.930 -0.887 1.00 33.44 O ATOM 0 H GLU A 51 2.947 8.232 0.300 1.00 9.43 H new ATOM 0 HA GLU A 51 0.355 9.288 -0.837 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.007 10.972 0.257 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.243 10.469 -0.880 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.037 11.505 -2.792 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.594 11.759 -1.831 1.00 26.06 H new ATOM 828 N ASP A 52 0.771 8.740 -3.186 1.00 12.71 N ATOM 829 CA ASP A 52 0.786 8.136 -4.501 1.00 16.56 C ATOM 830 C ASP A 52 1.992 8.350 -5.395 1.00 15.83 C ATOM 831 O ASP A 52 2.571 7.402 -5.924 1.00 17.21 O ATOM 832 CB ASP A 52 -0.405 8.788 -5.314 1.00 21.05 C ATOM 833 CG ASP A 52 -1.740 8.659 -4.618 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.804 7.943 -3.601 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.686 9.237 -5.122 1.00 28.37 O ATOM 0 H ASP A 52 -0.098 9.233 -2.982 1.00 12.71 H new ATOM 0 HA ASP A 52 0.750 7.068 -4.287 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.189 9.844 -5.479 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.467 8.318 -6.295 1.00 21.05 H new ATOM 840 N GLY A 53 2.508 9.583 -5.558 1.00 15.00 N ATOM 841 CA GLY A 53 3.527 10.007 -6.513 1.00 11.77 C ATOM 842 C GLY A 53 4.993 9.686 -6.106 1.00 11.10 C ATOM 843 O GLY A 53 5.932 10.016 -6.827 1.00 11.25 O ATOM 0 H GLY A 53 2.194 10.361 -4.978 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.322 9.533 -7.473 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.436 11.083 -6.663 1.00 11.77 H new ATOM 847 N ARG A 54 5.143 9.115 -4.923 1.00 8.53 N ATOM 848 CA ARG A 54 6.338 8.657 -4.318 1.00 9.05 C ATOM 849 C ARG A 54 6.512 7.178 -4.434 1.00 8.96 C ATOM 850 O ARG A 54 5.580 6.385 -4.619 1.00 11.60 O ATOM 851 CB ARG A 54 6.483 8.966 -2.772 1.00 7.97 C ATOM 852 CG ARG A 54 6.039 10.386 -2.357 1.00 9.62 C ATOM 853 CD ARG A 54 6.360 10.790 -0.919 1.00 12.20 C ATOM 854 NE ARG A 54 5.579 11.987 -0.479 1.00 18.23 N ATOM 855 CZ ARG A 54 5.485 12.408 0.762 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.157 11.887 1.789 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.525 13.327 1.022 1.00 23.38 N ATOM 0 H ARG A 54 4.337 8.954 -4.319 1.00 8.53 H new ATOM 0 HA ARG A 54 7.090 9.215 -4.876 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.896 8.238 -2.212 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.525 8.826 -2.483 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.509 11.104 -3.029 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.962 10.467 -2.505 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.146 9.954 -0.253 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.426 11.002 -0.833 1.00 12.20 H new ATOM 0 HE ARG A 54 5.082 12.516 -1.196 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.797 11.107 1.637 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.031 12.268 2.727 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.919 13.658 0.271 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.408 13.688 1.969 1.00 23.38 H new ATOM 871 N THR A 55 7.804 6.738 -4.282 1.00 9.05 N ATOM 872 CA THR A 55 8.233 5.351 -4.486 1.00 9.03 C ATOM 873 C THR A 55 8.459 4.618 -3.089 1.00 8.15 C ATOM 874 O THR A 55 8.514 5.255 -2.073 1.00 5.91 O ATOM 875 CB THR A 55 9.474 5.184 -5.344 1.00 11.15 C ATOM 876 OG1 THR A 55 10.684 5.666 -4.839 1.00 11.95 O ATOM 877 CG2 THR A 55 9.296 5.929 -6.674 1.00 11.71 C ATOM 0 H THR A 55 8.567 7.358 -4.012 1.00 9.05 H new ATOM 0 HA THR A 55 7.415 4.889 -5.039 1.00 9.03 H new ATOM 0 HB THR A 55 9.552 4.099 -5.413 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.694 6.644 -4.893 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.191 5.804 -7.284 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.435 5.524 -7.206 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.135 6.989 -6.478 1.00 11.71 H new ATOM 885 N LEU A 56 8.529 3.297 -3.036 1.00 6.91 N ATOM 886 CA LEU A 56 8.807 2.542 -1.856 1.00 8.29 C ATOM 887 C LEU A 56 10.149 2.923 -1.194 1.00 8.05 C ATOM 888 O LEU A 56 10.165 3.152 0.003 1.00 10.17 O ATOM 889 CB LEU A 56 8.846 1.069 -2.211 1.00 6.60 C ATOM 890 CG LEU A 56 7.504 0.362 -2.536 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.787 -1.015 -3.086 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.627 0.358 -1.299 1.00 8.64 C ATOM 0 H LEU A 56 8.385 2.710 -3.858 1.00 6.91 H new ATOM 0 HA LEU A 56 8.015 2.764 -1.141 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.503 0.951 -3.073 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.311 0.538 -1.380 1.00 6.60 H new ATOM 0 HG LEU A 56 6.951 0.898 -3.307 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.846 -1.515 -3.316 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.383 -0.929 -3.994 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.336 -1.597 -2.346 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.683 -0.138 -1.524 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.134 -0.175 -0.495 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.432 1.384 -0.988 1.00 8.64 H new ATOM 904 N SER A 57 11.297 3.061 -1.877 1.00 8.92 N ATOM 905 CA SER A 57 12.606 3.456 -1.328 1.00 9.00 C ATOM 906 C SER A 57 12.691 4.867 -0.862 1.00 9.44 C ATOM 907 O SER A 57 13.420 5.172 0.066 1.00 10.91 O ATOM 908 CB SER A 57 13.646 3.299 -2.404 1.00 10.32 C ATOM 909 OG SER A 57 13.433 4.071 -3.615 1.00 13.59 O ATOM 0 H SER A 57 11.340 2.891 -2.882 1.00 8.92 H new ATOM 0 HA SER A 57 12.763 2.813 -0.462 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.615 3.574 -1.988 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.703 2.245 -2.675 1.00 10.32 H new ATOM 0 HG SER A 57 12.762 3.626 -4.173 1.00 13.59 H new ATOM 915 N ASP A 58 11.887 5.808 -1.418 1.00 9.11 N ATOM 916 CA ASP A 58 11.778 7.192 -0.781 1.00 7.91 C ATOM 917 C ASP A 58 11.195 7.205 0.650 1.00 9.12 C ATOM 918 O ASP A 58 11.375 8.180 1.397 1.00 8.61 O ATOM 919 CB ASP A 58 10.722 8.005 -1.682 1.00 8.41 C ATOM 920 CG ASP A 58 11.163 8.130 -3.104 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.366 8.301 -3.351 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.302 8.140 -4.039 1.00 10.05 O ATOM 0 H ASP A 58 11.325 5.671 -2.258 1.00 9.11 H new ATOM 0 HA ASP A 58 12.786 7.603 -0.728 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.756 7.502 -1.647 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.579 9.000 -1.260 1.00 8.41 H new ATOM 927 N TYR A 59 10.447 6.175 1.030 1.00 7.97 N ATOM 928 CA TYR A 59 9.928 5.960 2.354 1.00 8.45 C ATOM 929 C TYR A 59 10.705 4.951 3.130 1.00 10.98 C ATOM 930 O TYR A 59 10.322 4.483 4.204 1.00 12.95 O ATOM 931 CB TYR A 59 8.497 5.382 2.211 1.00 7.94 C ATOM 932 CG TYR A 59 7.474 6.408 2.104 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.211 7.265 3.176 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.589 6.327 0.986 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.139 8.162 3.042 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.531 7.211 0.944 1.00 6.52 C ATOM 937 CZ TYR A 59 5.310 8.125 1.938 1.00 6.76 C ATOM 938 OH TYR A 59 4.265 9.076 1.784 1.00 7.63 O ATOM 0 H TYR A 59 10.179 5.435 0.381 1.00 7.97 H new ATOM 0 HA TYR A 59 9.972 6.915 2.877 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.456 4.744 1.328 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.280 4.750 3.072 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.810 7.238 4.074 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.743 5.600 0.202 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.960 8.894 3.816 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.857 7.181 0.101 1.00 6.52 H new ATOM 0 HH TYR A 59 4.522 9.918 2.215 1.00 7.63 H new ATOM 948 N ASN A 60 11.899 4.517 2.596 1.00 12.38 N ATOM 949 CA ASN A 60 12.842 3.649 3.239 1.00 13.94 C ATOM 950 C ASN A 60 12.256 2.252 3.579 1.00 14.16 C ATOM 951 O ASN A 60 12.431 1.636 4.611 1.00 14.26 O ATOM 952 CB ASN A 60 13.531 4.320 4.413 1.00 19.23 C ATOM 953 CG ASN A 60 14.269 5.568 3.861 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.304 5.473 3.215 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.794 6.828 4.232 1.00 24.09 N ATOM 0 H ASN A 60 12.204 4.799 1.664 1.00 12.38 H new ATOM 0 HA ASN A 60 13.624 3.450 2.506 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.804 4.608 5.172 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.234 3.636 4.888 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.310 7.666 3.964 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.932 6.910 4.770 1.00 24.09 H new ATOM 962 N ILE A 61 11.472 1.678 2.656 1.00 11.08 N ATOM 963 CA ILE A 61 10.807 0.418 2.831 1.00 11.78 C ATOM 964 C ILE A 61 11.744 -0.713 2.570 1.00 13.74 C ATOM 965 O ILE A 61 12.476 -0.728 1.570 1.00 14.60 O ATOM 966 CB ILE A 61 9.426 0.303 2.185 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.519 1.412 2.812 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.776 -1.143 2.267 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.275 1.702 2.015 1.00 11.42 C ATOM 0 H ILE A 61 11.290 2.105 1.748 1.00 11.08 H new ATOM 0 HA ILE A 61 10.532 0.353 3.884 1.00 11.78 H new ATOM 0 HB ILE A 61 9.532 0.458 1.111 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.232 1.107 3.818 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.099 2.330 2.910 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.799 -1.131 1.784 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.422 -1.861 1.762 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.661 -1.431 3.312 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.698 2.481 2.513 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.553 2.038 1.016 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.673 0.797 1.939 1.00 11.42 H new ATOM 981 N GLN A 62 11.823 -1.717 3.489 1.00 13.97 N ATOM 982 CA GLN A 62 12.783 -2.846 3.390 1.00 15.52 C ATOM 983 C GLN A 62 12.111 -4.181 3.111 1.00 13.94 C ATOM 984 O GLN A 62 10.908 -4.411 3.257 1.00 12.15 O ATOM 985 CB GLN A 62 13.520 -2.869 4.701 1.00 19.53 C ATOM 986 CG GLN A 62 14.364 -1.585 5.047 1.00 26.38 C ATOM 987 CD GLN A 62 15.120 -1.571 6.388 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.800 -0.781 7.275 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.112 -2.460 6.591 1.00 32.71 N ATOM 0 H GLN A 62 11.225 -1.763 4.314 1.00 13.97 H new ATOM 0 HA GLN A 62 13.454 -2.697 2.544 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.795 -3.027 5.499 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.189 -3.730 4.703 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.092 -1.436 4.249 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.692 -0.727 5.031 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.372 -3.112 5.851 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.603 -2.481 7.485 1.00 32.71 H new ATOM 998 N LYS A 63 12.874 -5.106 2.488 1.00 11.73 N ATOM 999 CA LYS A 63 12.489 -6.410 2.224 1.00 11.97 C ATOM 1000 C LYS A 63 11.774 -7.182 3.359 1.00 10.41 C ATOM 1001 O LYS A 63 12.358 -7.305 4.407 1.00 9.59 O ATOM 1002 CB LYS A 63 13.772 -7.247 1.641 1.00 13.73 C ATOM 1003 CG LYS A 63 15.066 -7.330 2.484 1.00 16.98 C ATOM 1004 CD LYS A 63 16.271 -7.869 1.750 1.00 20.19 C ATOM 1005 CE LYS A 63 16.235 -9.299 1.269 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.436 -9.572 0.568 1.00 25.97 N ATOM 0 H LYS A 63 13.817 -4.899 2.159 1.00 11.73 H new ATOM 0 HA LYS A 63 11.701 -6.321 1.476 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.439 -8.267 1.451 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.036 -6.813 0.677 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.303 -6.334 2.858 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.876 -7.960 3.353 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.445 -7.231 0.884 1.00 20.19 H new ATOM 0 HD3 LYS A 63 17.135 -7.760 2.405 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.127 -9.979 2.114 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.374 -9.458 0.620 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.425 -10.556 0.230 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.518 -8.928 -0.244 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.248 -9.433 1.203 1.00 25.97 H new ATOM 1020 N GLU A 64 10.524 -7.663 3.147 1.00 10.04 N ATOM 1021 CA GLU A 64 9.628 -8.367 4.047 1.00 10.94 C ATOM 1022 C GLU A 64 8.950 -7.433 4.991 1.00 9.74 C ATOM 1023 O GLU A 64 8.341 -7.886 5.989 1.00 9.42 O ATOM 1024 CB GLU A 64 10.175 -9.607 4.835 1.00 18.31 C ATOM 1025 CG GLU A 64 10.743 -10.749 3.897 1.00 24.16 C ATOM 1026 CD GLU A 64 11.588 -11.837 4.668 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.706 -11.567 5.203 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.078 -12.997 4.694 1.00 31.72 O ATOM 0 H GLU A 64 10.087 -7.544 2.233 1.00 10.04 H new ATOM 0 HA GLU A 64 8.926 -8.807 3.339 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.963 -9.278 5.513 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.375 -10.018 5.451 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.911 -11.239 3.390 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.366 -10.297 3.125 1.00 24.16 H new ATOM 1035 N SER A 65 8.993 -6.109 4.776 1.00 6.85 N ATOM 1036 CA SER A 65 8.268 -5.054 5.623 1.00 6.90 C ATOM 1037 C SER A 65 6.710 -5.091 5.364 1.00 4.72 C ATOM 1038 O SER A 65 6.277 -5.404 4.252 1.00 3.91 O ATOM 1039 CB SER A 65 8.893 -3.624 5.545 1.00 7.28 C ATOM 1040 OG SER A 65 8.526 -2.738 6.624 1.00 10.56 O ATOM 0 H SER A 65 9.528 -5.700 4.010 1.00 6.85 H new ATOM 0 HA SER A 65 8.423 -5.332 6.665 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.979 -3.719 5.526 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.597 -3.165 4.602 1.00 7.28 H new ATOM 0 HG SER A 65 8.460 -1.821 6.286 1.00 10.56 H new ATOM 1046 N THR A 66 5.908 -4.793 6.320 1.00 4.48 N ATOM 1047 CA THR A 66 4.459 -4.903 6.337 1.00 3.80 C ATOM 1048 C THR A 66 3.823 -3.513 6.341 1.00 4.60 C ATOM 1049 O THR A 66 4.089 -2.694 7.213 1.00 5.33 O ATOM 1050 CB THR A 66 3.828 -5.734 7.480 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.228 -7.134 7.376 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.257 -5.814 7.561 1.00 3.40 C ATOM 0 H THR A 66 6.264 -4.429 7.204 1.00 4.48 H new ATOM 0 HA THR A 66 4.243 -5.462 5.427 1.00 3.80 H new ATOM 0 HB THR A 66 4.191 -5.190 8.352 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.822 -7.645 8.107 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.967 -6.430 8.412 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.847 -4.811 7.683 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.867 -6.256 6.644 1.00 3.40 H new ATOM 1060 N LEU A 67 2.902 -3.329 5.473 1.00 4.17 N ATOM 1061 CA LEU A 67 2.191 -2.046 5.388 1.00 3.85 C ATOM 1062 C LEU A 67 0.713 -2.317 5.772 1.00 3.80 C ATOM 1063 O LEU A 67 0.214 -3.434 5.591 1.00 5.54 O ATOM 1064 CB LEU A 67 2.110 -1.769 3.869 1.00 7.18 C ATOM 1065 CG LEU A 67 3.489 -1.597 3.183 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.236 -1.046 1.760 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.588 -0.712 3.798 1.00 11.66 C ATOM 0 H LEU A 67 2.600 -4.031 4.797 1.00 4.17 H new ATOM 0 HA LEU A 67 2.657 -1.269 5.994 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.577 -2.590 3.389 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.520 -0.867 3.706 1.00 7.18 H new ATOM 0 HG LEU A 67 3.904 -2.600 3.278 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.188 -0.912 1.247 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.619 -1.750 1.202 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.722 -0.087 1.827 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.471 -0.731 3.159 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.225 0.312 3.885 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.848 -1.090 4.787 1.00 11.66 H new ATOM 1079 N HIS A 68 0.059 -1.322 6.445 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.289 -1.553 7.082 1.00 4.17 C ATOM 1081 C HIS A 68 -2.365 -0.871 6.232 1.00 5.32 C ATOM 1082 O HIS A 68 -2.351 0.364 6.076 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.239 -1.099 8.583 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.513 -1.948 9.540 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.854 -2.015 9.710 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.034 -2.806 10.456 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.096 -2.936 10.653 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.042 -3.397 11.194 1.00 16.30 N ATOM 0 H HIS A 68 0.425 -0.377 6.562 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.554 -2.610 7.106 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.794 -0.104 8.616 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.266 -1.001 8.936 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.089 -2.997 10.585 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.083 -3.266 10.941 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.145 -4.042 11.978 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.316 -1.634 5.720 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.218 -1.180 4.704 1.00 3.97 C ATOM 1098 C LEU A 69 -5.541 -0.908 5.339 1.00 5.07 C ATOM 1099 O LEU A 69 -6.326 -1.784 5.746 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.257 -2.212 3.534 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.236 -1.925 2.337 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.133 -0.469 1.780 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.184 -2.900 1.221 1.00 9.96 C ATOM 0 H LEU A 69 -3.476 -2.599 6.010 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.887 -0.245 4.252 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.249 -2.298 3.129 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.516 -3.184 3.953 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.212 -2.049 2.806 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.837 -0.344 0.957 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.371 0.241 2.572 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.120 -0.287 1.422 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.897 -2.609 0.450 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.179 -2.916 0.799 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.437 -3.893 1.593 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.754 0.411 5.439 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.023 0.923 5.910 1.00 6.26 C ATOM 1117 C VAL A 70 -7.965 1.097 4.708 1.00 9.22 C ATOM 1118 O VAL A 70 -7.490 1.449 3.588 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.800 2.286 6.622 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.109 2.841 7.104 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.861 2.024 7.860 1.00 8.54 C ATOM 0 H VAL A 70 -5.066 1.125 5.201 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.469 0.227 6.620 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.354 3.003 5.932 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.938 3.796 7.601 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.777 2.988 6.255 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.564 2.143 7.807 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.682 2.962 8.386 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.339 1.315 8.536 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.911 1.614 7.516 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.221 0.695 4.853 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.159 0.598 3.715 1.00 16.06 C ATOM 1133 C LEU A 71 -11.470 1.085 4.093 1.00 18.09 C ATOM 1134 O LEU A 71 -11.734 1.248 5.253 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.327 -0.897 3.467 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.105 -1.655 2.912 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.306 -3.209 3.062 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.857 -1.276 1.453 1.00 19.57 C ATOM 0 H LEU A 71 -9.627 0.427 5.750 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.786 1.166 2.863 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.618 -1.366 4.407 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.155 -1.034 2.772 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.227 -1.368 3.491 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.434 -3.729 2.665 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.430 -3.460 4.116 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.194 -3.516 2.509 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.991 -1.821 1.078 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.733 -1.532 0.857 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.670 -0.204 1.382 1.00 19.57 H new