USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.2 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.256 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 1.33 (180deg=1.29) 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= 0.0261 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.954 K(o=0.95,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 1.22 (180deg=0.538) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0204) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.58 K(o=1.6,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0288 (180deg=-0.233) USER MOD Single : A 49 GLN : amide:sc= 0.329 K(o=0.33,f=-4.6!) USER MOD Single : A 55 THR OG1 : rot -43:sc= 1.03 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.588 USER MOD Single : A 60 ASN : amide:sc=-0.00105 X(o=-0.001,f=-0.43) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc=-0.00497 (180deg=-0.0691) USER MOD Single : A 65 SER OG : rot 70:sc= 1.22 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 11.865 -6.825 -4.551 1.00 9.67 N ATOM 2 CA MET A 1 11.689 -7.193 -3.069 1.00 10.38 C ATOM 3 C MET A 1 10.254 -7.496 -2.838 1.00 9.62 C ATOM 4 O MET A 1 9.320 -7.079 -3.580 1.00 9.62 O ATOM 5 CB MET A 1 12.264 -6.107 -2.159 1.00 13.77 C ATOM 6 CG MET A 1 11.375 -4.843 -2.054 1.00 16.29 C ATOM 7 SD MET A 1 12.175 -3.490 -1.168 1.00 17.17 S ATOM 8 CE MET A 1 10.661 -2.560 -0.864 1.00 16.11 C ATOM 0 H1 MET A 1 12.832 -6.478 -4.710 1.00 9.67 H new ATOM 0 H2 MET A 1 11.698 -7.666 -5.140 1.00 9.67 H new ATOM 0 H3 MET A 1 11.184 -6.082 -4.807 1.00 9.67 H new ATOM 0 HA MET A 1 12.259 -8.086 -2.813 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.409 -6.521 -1.161 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.247 -5.818 -2.530 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.111 -4.507 -3.057 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.444 -5.101 -1.548 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.912 -1.534 -0.593 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.048 -2.558 -1.765 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.106 -3.025 -0.049 1.00 16.11 H new ATOM 20 N GLN A 2 9.899 -8.211 -1.734 1.00 9.27 N ATOM 21 CA GLN A 2 8.541 -8.546 -1.490 1.00 9.07 C ATOM 22 C GLN A 2 8.136 -7.867 -0.158 1.00 8.72 C ATOM 23 O GLN A 2 8.725 -8.104 0.916 1.00 8.22 O ATOM 24 CB GLN A 2 8.372 -10.081 -1.399 1.00 14.46 C ATOM 25 CG GLN A 2 8.379 -10.793 -2.772 1.00 17.01 C ATOM 26 CD GLN A 2 8.453 -12.359 -2.580 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.476 -13.119 -2.406 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.743 -12.800 -2.514 1.00 19.49 N ATOM 0 H GLN A 2 10.556 -8.546 -1.029 1.00 9.27 H new ATOM 0 HA GLN A 2 7.903 -8.200 -2.303 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.174 -10.490 -0.784 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.435 -10.304 -0.889 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.480 -10.531 -3.329 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.230 -10.452 -3.361 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.513 -12.148 -2.662 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.937 -13.782 -2.317 1.00 19.49 H new ATOM 37 N ILE A 3 7.114 -6.942 -0.252 1.00 5.87 N ATOM 38 CA ILE A 3 6.475 -6.401 0.947 1.00 5.07 C ATOM 39 C ILE A 3 5.117 -6.954 1.225 1.00 4.01 C ATOM 40 O ILE A 3 4.417 -7.429 0.302 1.00 4.61 O ATOM 41 CB ILE A 3 6.174 -4.860 0.767 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.170 -4.535 -0.382 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.521 -4.115 0.558 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.546 -3.135 -0.410 1.00 10.83 C ATOM 0 H ILE A 3 6.744 -6.582 -1.132 1.00 5.87 H new ATOM 0 HA ILE A 3 7.179 -6.650 1.741 1.00 5.07 H new ATOM 0 HB ILE A 3 5.678 -4.516 1.674 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.684 -4.692 -1.330 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.359 -5.262 -0.335 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.331 -3.049 0.432 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.161 -4.270 1.427 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.017 -4.503 -0.332 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.871 -3.055 -1.262 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.989 -2.966 0.512 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.334 -2.387 -0.500 1.00 10.83 H new ATOM 56 N PHE A 4 4.705 -6.983 2.491 1.00 4.55 N ATOM 57 CA PHE A 4 3.506 -7.615 2.994 1.00 4.68 C ATOM 58 C PHE A 4 2.450 -6.543 3.122 1.00 5.30 C ATOM 59 O PHE A 4 2.655 -5.563 3.791 1.00 5.58 O ATOM 60 CB PHE A 4 3.664 -8.380 4.326 1.00 4.83 C ATOM 61 CG PHE A 4 4.835 -9.282 4.259 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.099 -10.134 3.153 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.759 -9.345 5.316 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.200 -10.969 3.106 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.839 -10.265 5.329 1.00 10.61 C ATOM 66 CZ PHE A 4 7.007 -11.141 4.275 1.00 8.90 C ATOM 0 H PHE A 4 5.241 -6.534 3.234 1.00 4.55 H new ATOM 0 HA PHE A 4 3.229 -8.391 2.280 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.786 -7.674 5.147 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.762 -8.957 4.532 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.414 -10.129 2.318 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.643 -8.668 6.149 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.449 -11.488 2.192 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.528 -10.280 6.161 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.732 -11.939 4.332 1.00 8.90 H new ATOM 76 N VAL A 5 1.229 -6.768 2.632 1.00 4.44 N ATOM 77 CA VAL A 5 0.086 -5.853 2.911 1.00 3.87 C ATOM 78 C VAL A 5 -0.974 -6.536 3.652 1.00 4.93 C ATOM 79 O VAL A 5 -1.429 -7.636 3.311 1.00 6.84 O ATOM 80 CB VAL A 5 -0.437 -5.048 1.725 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.392 -3.929 2.210 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.745 -4.343 0.999 1.00 9.13 C ATOM 0 H VAL A 5 0.993 -7.566 2.043 1.00 4.44 H new ATOM 0 HA VAL A 5 0.507 -5.078 3.552 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.955 -5.739 1.060 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.756 -3.364 1.352 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.236 -4.374 2.736 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.856 -3.260 2.884 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.363 -3.771 0.154 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.250 -3.672 1.693 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.451 -5.092 0.641 1.00 9.13 H new ATOM 92 N LYS A 6 -1.418 -5.958 4.778 1.00 6.04 N ATOM 93 CA LYS A 6 -2.448 -6.605 5.657 1.00 6.12 C ATOM 94 C LYS A 6 -3.777 -5.830 5.617 1.00 6.57 C ATOM 95 O LYS A 6 -3.844 -4.698 6.026 1.00 5.76 O ATOM 96 CB LYS A 6 -1.834 -6.627 7.057 1.00 7.45 C ATOM 97 CG LYS A 6 -2.612 -7.870 7.737 1.00 11.12 C ATOM 98 CD LYS A 6 -1.911 -8.199 9.025 1.00 14.54 C ATOM 99 CE LYS A 6 -2.360 -9.524 9.740 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.575 -9.789 10.872 1.00 20.55 N ATOM 0 H LYS A 6 -1.093 -5.051 5.114 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.694 -7.613 5.324 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.756 -6.785 7.029 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.005 -5.694 7.594 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.654 -7.612 7.924 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.611 -8.732 7.070 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.841 -8.262 8.826 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.058 -7.370 9.717 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.407 -9.444 10.033 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.287 -10.358 9.042 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.898 -10.670 11.320 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.579 -9.890 10.588 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.665 -9.004 11.548 1.00 20.55 H new ATOM 114 N THR A 7 -4.855 -6.512 5.129 1.00 7.41 N ATOM 115 CA THR A 7 -6.135 -5.938 4.865 1.00 7.48 C ATOM 116 C THR A 7 -6.896 -5.434 6.096 1.00 8.75 C ATOM 117 O THR A 7 -6.396 -5.569 7.205 1.00 8.58 O ATOM 118 CB THR A 7 -7.084 -6.788 4.062 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.628 -7.865 4.799 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.319 -7.492 2.916 1.00 9.17 C ATOM 0 H THR A 7 -4.816 -7.508 4.914 1.00 7.41 H new ATOM 0 HA THR A 7 -5.828 -5.087 4.258 1.00 7.48 H new ATOM 0 HB THR A 7 -7.863 -6.101 3.731 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.236 -8.379 4.227 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.011 -8.105 2.339 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.869 -6.743 2.265 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.537 -8.125 3.336 1.00 9.17 H new ATOM 128 N LEU A 8 -8.155 -4.877 5.983 1.00 9.84 N ATOM 129 CA LEU A 8 -8.897 -4.454 7.165 1.00 14.15 C ATOM 130 C LEU A 8 -9.221 -5.560 8.089 1.00 17.37 C ATOM 131 O LEU A 8 -9.059 -5.474 9.309 1.00 17.01 O ATOM 132 CB LEU A 8 -10.220 -3.709 6.760 1.00 16.63 C ATOM 133 CG LEU A 8 -10.832 -2.975 7.977 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.060 -1.745 8.318 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.305 -2.608 7.602 1.00 18.59 C ATOM 0 H LEU A 8 -8.640 -4.726 5.098 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.232 -3.774 7.698 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.011 -2.993 5.965 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.939 -4.425 6.362 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.800 -3.619 8.856 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.518 -1.255 9.177 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.032 -2.016 8.560 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.065 -1.064 7.467 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.774 -2.087 8.437 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.307 -1.962 6.724 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.863 -3.519 7.383 1.00 18.59 H new ATOM 147 N THR A 9 -9.677 -6.689 7.534 1.00 18.33 N ATOM 148 CA THR A 9 -9.926 -7.902 8.263 1.00 19.24 C ATOM 149 C THR A 9 -8.708 -8.825 8.494 1.00 19.48 C ATOM 150 O THR A 9 -8.849 -9.967 8.909 1.00 23.14 O ATOM 151 CB THR A 9 -10.996 -8.825 7.664 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.740 -9.257 6.369 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.336 -8.014 7.544 1.00 19.70 C ATOM 0 H THR A 9 -9.883 -6.769 6.538 1.00 18.33 H new ATOM 0 HA THR A 9 -10.257 -7.457 9.201 1.00 19.24 H new ATOM 0 HB THR A 9 -11.027 -9.690 8.327 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.469 -9.839 6.068 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.111 -8.652 7.120 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.646 -7.675 8.533 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.182 -7.151 6.896 1.00 19.70 H new ATOM 161 N GLY A 10 -7.558 -8.311 8.142 1.00 19.43 N ATOM 162 CA GLY A 10 -6.298 -8.952 8.473 1.00 18.74 C ATOM 163 C GLY A 10 -5.891 -10.133 7.666 1.00 17.62 C ATOM 164 O GLY A 10 -5.303 -11.028 8.247 1.00 19.74 O ATOM 0 H GLY A 10 -7.461 -7.440 7.620 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.510 -8.203 8.393 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.342 -9.259 9.518 1.00 18.74 H new ATOM 168 N LYS A 11 -6.215 -10.144 6.346 1.00 13.56 N ATOM 169 CA LYS A 11 -5.674 -11.075 5.390 1.00 11.91 C ATOM 170 C LYS A 11 -4.283 -10.546 4.974 1.00 10.18 C ATOM 171 O LYS A 11 -4.133 -9.382 4.635 1.00 9.10 O ATOM 172 CB LYS A 11 -6.556 -11.113 4.117 1.00 13.43 C ATOM 173 CG LYS A 11 -6.113 -12.134 3.126 1.00 16.69 C ATOM 174 CD LYS A 11 -7.087 -12.275 1.937 1.00 17.92 C ATOM 175 CE LYS A 11 -6.519 -12.852 0.652 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.461 -12.538 -0.488 1.00 21.93 N ATOM 0 H LYS A 11 -6.874 -9.483 5.935 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.628 -12.071 5.831 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.588 -11.318 4.404 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.545 -10.130 3.646 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.125 -11.865 2.751 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.013 -13.098 3.624 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.920 -12.903 2.253 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.497 -11.290 1.715 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.534 -12.430 0.453 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.391 -13.930 0.748 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.047 -12.870 -1.382 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.370 -13.017 -0.329 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.615 -11.511 -0.538 1.00 21.93 H new ATOM 190 N THR A 12 -3.201 -11.438 4.831 1.00 9.63 N ATOM 191 CA THR A 12 -1.867 -10.935 4.398 1.00 9.85 C ATOM 192 C THR A 12 -1.659 -11.319 2.985 1.00 11.66 C ATOM 193 O THR A 12 -1.659 -12.520 2.635 1.00 12.33 O ATOM 194 CB THR A 12 -0.603 -11.366 5.206 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.613 -10.805 6.498 1.00 10.91 O ATOM 196 CG2 THR A 12 0.772 -11.083 4.522 1.00 9.63 C ATOM 0 H THR A 12 -3.249 -12.442 5.005 1.00 9.63 H new ATOM 0 HA THR A 12 -1.935 -9.862 4.579 1.00 9.85 H new ATOM 0 HB THR A 12 -0.684 -12.452 5.255 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.188 -11.091 6.985 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.578 -11.423 5.172 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.822 -11.616 3.572 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.876 -10.013 4.344 1.00 9.63 H new ATOM 204 N ILE A 13 -1.475 -10.246 2.148 1.00 10.42 N ATOM 205 CA ILE A 13 -1.118 -10.356 0.767 1.00 11.84 C ATOM 206 C ILE A 13 0.289 -9.952 0.493 1.00 10.55 C ATOM 207 O ILE A 13 0.772 -8.992 1.103 1.00 11.92 O ATOM 208 CB ILE A 13 -2.029 -9.613 -0.162 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.244 -8.096 0.314 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.360 -10.374 0.011 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.021 -7.267 -0.682 1.00 16.46 C ATOM 0 H ILE A 13 -1.582 -9.281 2.460 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.228 -11.421 0.563 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.644 -9.570 -1.181 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.769 -8.092 1.269 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.272 -7.633 0.483 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.122 -9.923 -0.625 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.222 -11.417 -0.272 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.677 -10.320 1.052 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.133 -6.252 -0.302 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.486 -7.242 -1.631 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.006 -7.708 -0.833 1.00 16.46 H new ATOM 223 N THR A 14 0.968 -10.680 -0.415 1.00 9.39 N ATOM 224 CA THR A 14 2.384 -10.511 -0.618 1.00 9.63 C ATOM 225 C THR A 14 2.723 -10.023 -1.942 1.00 11.20 C ATOM 226 O THR A 14 2.394 -10.686 -2.950 1.00 11.63 O ATOM 227 CB THR A 14 3.279 -11.706 -0.334 1.00 10.38 C ATOM 228 OG1 THR A 14 3.005 -12.249 0.996 1.00 16.30 O ATOM 229 CG2 THR A 14 4.767 -11.315 -0.324 1.00 11.66 C ATOM 0 H THR A 14 0.539 -11.388 -1.011 1.00 9.39 H new ATOM 0 HA THR A 14 2.595 -9.766 0.149 1.00 9.63 H new ATOM 0 HB THR A 14 3.073 -12.430 -1.122 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.589 -13.019 1.162 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.374 -12.197 -0.118 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.042 -10.905 -1.296 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.941 -10.566 0.448 1.00 11.66 H new ATOM 237 N LEU A 15 3.419 -8.846 -2.018 1.00 8.29 N ATOM 238 CA LEU A 15 3.582 -8.198 -3.281 1.00 9.03 C ATOM 239 C LEU A 15 5.078 -7.988 -3.516 1.00 8.59 C ATOM 240 O LEU A 15 5.733 -7.201 -2.817 1.00 7.79 O ATOM 241 CB LEU A 15 2.899 -6.748 -3.172 1.00 11.08 C ATOM 242 CG LEU A 15 1.392 -6.697 -3.067 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.784 -5.347 -2.862 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.733 -7.355 -4.346 1.00 15.27 C ATOM 0 H LEU A 15 3.849 -8.370 -1.225 1.00 8.29 H new ATOM 0 HA LEU A 15 3.140 -8.788 -4.084 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.315 -6.244 -2.300 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.196 -6.169 -4.046 1.00 11.08 H new ATOM 0 HG LEU A 15 1.178 -7.255 -2.155 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.300 -5.442 -2.803 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.162 -4.915 -1.936 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.046 -4.699 -3.698 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.353 -7.312 -4.259 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.047 -6.812 -5.237 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.050 -8.395 -4.424 1.00 15.27 H new ATOM 256 N GLU A 16 5.502 -8.685 -4.637 1.00 11.04 N ATOM 257 CA GLU A 16 6.735 -8.323 -5.358 1.00 11.50 C ATOM 258 C GLU A 16 6.781 -6.883 -5.982 1.00 10.13 C ATOM 259 O GLU A 16 5.920 -6.573 -6.784 1.00 9.83 O ATOM 260 CB GLU A 16 7.062 -9.374 -6.430 1.00 17.22 C ATOM 261 CG GLU A 16 8.450 -9.228 -7.045 1.00 23.33 C ATOM 262 CD GLU A 16 8.805 -10.395 -7.966 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.829 -11.571 -7.467 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.929 -10.178 -9.192 1.00 28.90 O ATOM 0 H GLU A 16 5.002 -9.480 -5.034 1.00 11.04 H new ATOM 0 HA GLU A 16 7.498 -8.307 -4.580 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.975 -10.367 -5.988 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.317 -9.312 -7.223 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.499 -8.296 -7.609 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.192 -9.158 -6.249 1.00 23.33 H new ATOM 271 N VAL A 17 7.691 -5.961 -5.476 1.00 8.99 N ATOM 272 CA VAL A 17 7.776 -4.549 -5.783 1.00 8.85 C ATOM 273 C VAL A 17 9.248 -4.154 -5.900 1.00 8.04 C ATOM 274 O VAL A 17 10.053 -4.752 -5.225 1.00 8.99 O ATOM 275 CB VAL A 17 7.099 -3.629 -4.715 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.545 -3.737 -4.884 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.545 -4.090 -3.325 1.00 10.54 C ATOM 0 H VAL A 17 8.408 -6.244 -4.808 1.00 8.99 H new ATOM 0 HA VAL A 17 7.237 -4.402 -6.719 1.00 8.85 H new ATOM 0 HB VAL A 17 7.390 -2.586 -4.842 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.054 -3.102 -4.147 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.265 -3.413 -5.886 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.234 -4.771 -4.736 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.082 -3.459 -2.566 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.241 -5.125 -3.170 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.630 -4.014 -3.247 1.00 10.54 H new ATOM 287 N GLU A 18 9.556 -3.220 -6.744 1.00 7.29 N ATOM 288 CA GLU A 18 10.820 -2.533 -6.634 1.00 7.08 C ATOM 289 C GLU A 18 10.730 -1.445 -5.567 1.00 6.45 C ATOM 290 O GLU A 18 9.663 -0.898 -5.230 1.00 5.28 O ATOM 291 CB GLU A 18 11.166 -1.827 -7.989 1.00 10.28 C ATOM 292 CG GLU A 18 10.856 -2.708 -9.241 1.00 12.65 C ATOM 293 CD GLU A 18 11.606 -4.066 -9.173 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.786 -4.065 -8.771 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.948 -5.120 -9.437 1.00 14.33 O ATOM 0 H GLU A 18 8.961 -2.912 -7.513 1.00 7.29 H new ATOM 0 HA GLU A 18 11.583 -3.267 -6.375 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.603 -0.896 -8.060 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.223 -1.561 -7.993 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.783 -2.886 -9.307 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.147 -2.174 -10.146 1.00 12.65 H new ATOM 302 N PRO A 19 11.732 -1.079 -4.832 1.00 7.24 N ATOM 303 CA PRO A 19 11.699 -0.031 -3.804 1.00 7.07 C ATOM 304 C PRO A 19 11.676 1.361 -4.471 1.00 6.65 C ATOM 305 O PRO A 19 11.361 2.348 -3.819 1.00 6.37 O ATOM 306 CB PRO A 19 13.093 -0.214 -3.114 1.00 7.61 C ATOM 307 CG PRO A 19 14.038 -0.674 -4.179 1.00 8.16 C ATOM 308 CD PRO A 19 13.141 -1.648 -4.961 1.00 7.49 C ATOM 0 HA PRO A 19 10.837 -0.099 -3.140 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.433 0.723 -2.672 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.033 -0.944 -2.307 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.393 0.149 -4.799 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.919 -1.165 -3.766 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.446 -1.713 -6.005 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.199 -2.655 -4.549 1.00 7.49 H new ATOM 316 N SER A 20 11.977 1.414 -5.788 1.00 6.80 N ATOM 317 CA SER A 20 11.968 2.601 -6.564 1.00 6.28 C ATOM 318 C SER A 20 10.718 2.830 -7.392 1.00 8.45 C ATOM 319 O SER A 20 10.647 3.662 -8.294 1.00 7.26 O ATOM 320 CB SER A 20 13.303 2.585 -7.407 1.00 8.57 C ATOM 321 OG SER A 20 13.410 1.312 -8.111 1.00 11.13 O ATOM 0 H SER A 20 12.237 0.587 -6.325 1.00 6.80 H new ATOM 0 HA SER A 20 11.934 3.466 -5.902 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.307 3.410 -8.120 1.00 8.57 H new ATOM 0 HB3 SER A 20 14.163 2.725 -6.752 1.00 8.57 H new ATOM 0 HG SER A 20 14.237 1.298 -8.637 1.00 11.13 H new ATOM 327 N ASP A 21 9.676 2.046 -7.028 1.00 7.50 N ATOM 328 CA ASP A 21 8.374 2.145 -7.627 1.00 7.70 C ATOM 329 C ASP A 21 7.457 3.044 -6.755 1.00 7.08 C ATOM 330 O ASP A 21 7.863 3.373 -5.634 1.00 8.11 O ATOM 331 CB ASP A 21 7.852 0.717 -7.849 1.00 11.00 C ATOM 332 CG ASP A 21 6.770 0.625 -8.889 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.588 1.681 -9.602 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.123 -0.391 -9.047 1.00 14.36 O ATOM 0 H ASP A 21 9.741 1.331 -6.304 1.00 7.50 H new ATOM 0 HA ASP A 21 8.402 2.634 -8.601 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.684 0.077 -8.145 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.471 0.328 -6.905 1.00 11.00 H new ATOM 339 N THR A 22 6.257 3.443 -7.200 1.00 5.37 N ATOM 340 CA THR A 22 5.426 4.408 -6.530 1.00 6.01 C ATOM 341 C THR A 22 4.375 3.677 -5.683 1.00 8.01 C ATOM 342 O THR A 22 4.070 2.491 -5.933 1.00 8.11 O ATOM 343 CB THR A 22 4.620 5.428 -7.339 1.00 8.92 C ATOM 344 OG1 THR A 22 3.865 4.784 -8.374 1.00 10.22 O ATOM 345 CG2 THR A 22 5.663 6.241 -8.154 1.00 9.65 C ATOM 0 H THR A 22 5.842 3.084 -8.060 1.00 5.37 H new ATOM 0 HA THR A 22 6.185 4.984 -6.000 1.00 6.01 H new ATOM 0 HB THR A 22 3.982 5.990 -6.657 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.358 5.456 -8.875 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.150 6.991 -8.756 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.354 6.735 -7.471 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.219 5.568 -8.808 1.00 9.65 H new ATOM 353 N ILE A 23 3.810 4.439 -4.744 1.00 8.32 N ATOM 354 CA ILE A 23 2.668 4.010 -3.956 1.00 9.92 C ATOM 355 C ILE A 23 1.428 3.788 -4.757 1.00 10.01 C ATOM 356 O ILE A 23 0.779 2.789 -4.500 1.00 8.71 O ATOM 357 CB ILE A 23 2.482 4.874 -2.709 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.732 5.057 -1.870 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.327 4.333 -1.889 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.084 3.711 -1.100 1.00 12.30 C ATOM 0 H ILE A 23 4.139 5.376 -4.513 1.00 8.32 H new ATOM 0 HA ILE A 23 2.901 3.011 -3.587 1.00 9.92 H new ATOM 0 HB ILE A 23 2.251 5.880 -3.058 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.567 5.348 -2.508 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.582 5.865 -1.154 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.193 4.948 -0.999 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.415 4.355 -2.486 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.541 3.307 -1.592 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.984 3.858 -0.502 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.255 3.438 -0.447 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.255 2.913 -1.822 1.00 12.30 H new ATOM 372 N GLU A 24 1.112 4.573 -5.796 1.00 9.54 N ATOM 373 CA GLU A 24 -0.047 4.277 -6.675 1.00 11.81 C ATOM 374 C GLU A 24 0.095 2.931 -7.400 1.00 11.14 C ATOM 375 O GLU A 24 -0.881 2.296 -7.678 1.00 10.62 O ATOM 376 CB GLU A 24 -0.135 5.453 -7.712 1.00 19.24 C ATOM 377 CG GLU A 24 -1.443 5.500 -8.495 1.00 27.76 C ATOM 378 CD GLU A 24 -1.597 6.838 -9.186 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.577 7.512 -9.521 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.777 7.241 -9.416 1.00 36.51 O ATOM 0 H GLU A 24 1.632 5.412 -6.054 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.954 4.198 -6.075 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.006 6.398 -7.184 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.693 5.365 -8.415 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.461 4.698 -9.233 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.284 5.333 -7.822 1.00 27.76 H new ATOM 387 N ASN A 25 1.315 2.553 -7.769 1.00 9.43 N ATOM 388 CA ASN A 25 1.639 1.270 -8.394 1.00 10.96 C ATOM 389 C ASN A 25 1.337 0.033 -7.554 1.00 9.68 C ATOM 390 O ASN A 25 0.881 -1.003 -8.071 1.00 9.33 O ATOM 391 CB ASN A 25 3.058 1.378 -8.859 1.00 16.78 C ATOM 392 CG ASN A 25 3.072 2.162 -10.202 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.018 2.568 -10.739 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.300 2.395 -10.782 1.00 24.70 N ATOM 0 H ASN A 25 2.133 3.148 -7.638 1.00 9.43 H new ATOM 0 HA ASN A 25 0.971 1.096 -9.237 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.664 1.892 -8.113 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.490 0.386 -8.993 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.359 2.906 -11.663 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.150 2.057 -10.330 1.00 24.70 H new ATOM 401 N VAL A 26 1.638 0.095 -6.233 1.00 6.52 N ATOM 402 CA VAL A 26 1.273 -0.907 -5.208 1.00 5.53 C ATOM 403 C VAL A 26 -0.247 -0.897 -5.047 1.00 4.42 C ATOM 404 O VAL A 26 -0.887 -1.933 -4.969 1.00 3.40 O ATOM 405 CB VAL A 26 1.995 -0.585 -3.908 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.489 -1.559 -2.766 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.470 -0.766 -4.203 1.00 8.12 C ATOM 0 H VAL A 26 2.163 0.877 -5.840 1.00 6.52 H new ATOM 0 HA VAL A 26 1.579 -1.910 -5.507 1.00 5.53 H new ATOM 0 HB VAL A 26 1.803 0.429 -3.556 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.007 -1.328 -1.835 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.416 -1.429 -2.626 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.696 -2.591 -3.050 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.050 -0.549 -3.306 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.655 -1.794 -4.515 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.768 -0.085 -5.001 1.00 8.12 H new ATOM 417 N LYS A 27 -0.928 0.228 -5.034 1.00 2.64 N ATOM 418 CA LYS A 27 -2.397 0.215 -4.961 1.00 4.14 C ATOM 419 C LYS A 27 -3.057 -0.482 -6.151 1.00 5.58 C ATOM 420 O LYS A 27 -4.016 -1.195 -5.926 1.00 4.11 O ATOM 421 CB LYS A 27 -3.018 1.631 -4.687 1.00 3.97 C ATOM 422 CG LYS A 27 -2.608 2.178 -3.285 1.00 7.45 C ATOM 423 CD LYS A 27 -3.108 3.641 -3.148 1.00 9.02 C ATOM 424 CE LYS A 27 -3.251 4.139 -1.680 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.486 5.543 -1.592 1.00 15.47 N ATOM 0 H LYS A 27 -0.508 1.157 -5.072 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.627 -0.394 -4.086 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.691 2.327 -5.459 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.104 1.571 -4.751 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.038 1.558 -2.498 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.525 2.137 -3.167 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.417 4.299 -3.676 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.074 3.729 -3.644 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.072 3.607 -1.199 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.344 3.892 -1.128 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.177 5.889 -0.661 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.951 6.032 -2.338 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.501 5.733 -1.713 1.00 15.47 H new ATOM 439 N ALA A 28 -2.534 -0.417 -7.402 1.00 6.61 N ATOM 440 CA ALA A 28 -3.037 -1.172 -8.531 1.00 7.74 C ATOM 441 C ALA A 28 -2.672 -2.631 -8.473 1.00 9.17 C ATOM 442 O ALA A 28 -3.497 -3.450 -8.908 1.00 11.45 O ATOM 443 CB ALA A 28 -2.581 -0.512 -9.791 1.00 7.68 C ATOM 0 H ALA A 28 -1.739 0.177 -7.637 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.127 -1.164 -8.500 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.953 -1.071 -10.650 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.965 0.507 -9.827 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.492 -0.490 -9.817 1.00 7.68 H new ATOM 449 N LYS A 29 -1.559 -3.009 -7.804 1.00 8.96 N ATOM 450 CA LYS A 29 -1.353 -4.411 -7.469 1.00 7.90 C ATOM 451 C LYS A 29 -2.315 -4.981 -6.384 1.00 6.92 C ATOM 452 O LYS A 29 -2.795 -6.108 -6.570 1.00 6.87 O ATOM 453 CB LYS A 29 0.033 -4.667 -6.983 1.00 10.28 C ATOM 454 CG LYS A 29 1.205 -4.465 -8.011 1.00 14.94 C ATOM 455 CD LYS A 29 2.525 -4.509 -7.342 1.00 19.69 C ATOM 456 CE LYS A 29 3.667 -4.126 -8.284 1.00 22.63 C ATOM 457 NZ LYS A 29 3.844 -5.164 -9.330 1.00 24.98 N ATOM 0 H LYS A 29 -0.819 -2.376 -7.500 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.556 -4.917 -8.413 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.217 -4.015 -6.129 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.078 -5.693 -6.617 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.157 -5.240 -8.776 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.085 -3.508 -8.519 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.519 -3.832 -6.488 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.699 -5.512 -6.953 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.456 -3.163 -8.750 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.591 -4.010 -7.718 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.666 -4.925 -9.921 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.999 -6.088 -8.879 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.991 -5.207 -9.924 1.00 24.98 H new ATOM 471 N ILE A 30 -2.627 -4.183 -5.377 1.00 4.57 N ATOM 472 CA ILE A 30 -3.603 -4.487 -4.394 1.00 5.58 C ATOM 473 C ILE A 30 -5.000 -4.668 -4.996 1.00 7.26 C ATOM 474 O ILE A 30 -5.703 -5.600 -4.648 1.00 9.46 O ATOM 475 CB ILE A 30 -3.654 -3.544 -3.247 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.335 -3.718 -2.507 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.872 -3.750 -2.346 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.180 -2.602 -1.467 1.00 2.00 C ATOM 0 H ILE A 30 -2.180 -3.277 -5.234 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.267 -5.440 -3.985 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.775 -2.519 -3.599 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.306 -4.692 -2.018 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.504 -3.690 -3.212 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.846 -3.029 -1.529 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.783 -3.608 -2.927 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.856 -4.761 -1.938 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.236 -2.727 -0.937 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.190 -1.634 -1.968 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.004 -2.651 -0.755 1.00 2.00 H new ATOM 490 N GLN A 31 -5.280 -3.876 -6.054 1.00 7.06 N ATOM 491 CA GLN A 31 -6.471 -3.978 -6.856 1.00 8.67 C ATOM 492 C GLN A 31 -6.588 -5.344 -7.525 1.00 10.90 C ATOM 493 O GLN A 31 -7.618 -5.982 -7.467 1.00 9.63 O ATOM 494 CB GLN A 31 -6.582 -2.869 -7.906 1.00 9.12 C ATOM 495 CG GLN A 31 -8.052 -2.750 -8.511 1.00 10.76 C ATOM 496 CD GLN A 31 -8.187 -1.725 -9.646 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.258 -1.013 -9.997 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.454 -1.585 -10.151 1.00 14.76 N ATOM 0 H GLN A 31 -4.652 -3.134 -6.364 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.302 -3.855 -6.161 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.299 -1.917 -7.457 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.875 -3.064 -8.712 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.360 -3.728 -8.882 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.741 -2.481 -7.710 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.202 -2.201 -9.831 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.649 -0.865 -10.847 1.00 14.76 H new ATOM 507 N ASP A 32 -5.447 -5.882 -8.122 1.00 10.93 N ATOM 508 CA ASP A 32 -5.427 -7.291 -8.603 1.00 14.01 C ATOM 509 C ASP A 32 -5.679 -8.314 -7.482 1.00 14.04 C ATOM 510 O ASP A 32 -6.405 -9.256 -7.794 1.00 13.39 O ATOM 511 CB ASP A 32 -4.026 -7.655 -9.209 1.00 18.01 C ATOM 512 CG ASP A 32 -3.882 -8.915 -9.971 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.329 -8.936 -11.157 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.274 -9.919 -9.487 1.00 25.17 O ATOM 0 H ASP A 32 -4.577 -5.369 -8.267 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.224 -7.346 -9.344 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.728 -6.837 -9.865 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.309 -7.682 -8.388 1.00 18.01 H new ATOM 519 N LYS A 33 -5.154 -8.141 -6.252 1.00 14.22 N ATOM 520 CA LYS A 33 -5.370 -9.038 -5.104 1.00 14.00 C ATOM 521 C LYS A 33 -6.803 -8.939 -4.630 1.00 12.37 C ATOM 522 O LYS A 33 -7.484 -9.922 -4.528 1.00 12.17 O ATOM 523 CB LYS A 33 -4.378 -8.720 -3.996 1.00 18.62 C ATOM 524 CG LYS A 33 -2.922 -9.059 -4.279 1.00 24.00 C ATOM 525 CD LYS A 33 -2.670 -10.519 -4.524 1.00 27.61 C ATOM 526 CE LYS A 33 -1.152 -10.992 -4.672 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.074 -12.458 -5.004 1.00 30.06 N ATOM 0 H LYS A 33 -4.551 -7.350 -6.026 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.197 -10.070 -5.410 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.444 -7.655 -3.772 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.686 -9.254 -3.097 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.591 -8.493 -5.149 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.313 -8.732 -3.436 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.118 -11.080 -3.704 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.201 -10.804 -5.432 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.661 -10.412 -5.453 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.614 -10.796 -3.744 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.077 -12.741 -5.095 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.523 -13.010 -4.245 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.568 -12.637 -5.901 1.00 30.06 H new ATOM 541 N GLU A 34 -7.301 -7.725 -4.358 1.00 10.11 N ATOM 542 CA GLU A 34 -8.515 -7.491 -3.544 1.00 10.07 C ATOM 543 C GLU A 34 -9.626 -6.788 -4.219 1.00 9.32 C ATOM 544 O GLU A 34 -10.680 -6.662 -3.621 1.00 11.61 O ATOM 545 CB GLU A 34 -8.123 -6.673 -2.263 1.00 14.77 C ATOM 546 CG GLU A 34 -7.276 -7.444 -1.259 1.00 18.75 C ATOM 547 CD GLU A 34 -7.986 -8.676 -0.657 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.918 -8.396 0.157 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.617 -9.827 -0.961 1.00 25.19 O ATOM 0 H GLU A 34 -6.872 -6.864 -4.698 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.893 -8.488 -3.318 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.578 -5.780 -2.570 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.034 -6.337 -1.769 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.357 -7.769 -1.747 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.987 -6.772 -0.451 1.00 18.75 H new ATOM 556 N GLY A 35 -9.487 -6.343 -5.500 1.00 7.22 N ATOM 557 CA GLY A 35 -10.535 -5.646 -6.311 1.00 6.29 C ATOM 558 C GLY A 35 -11.008 -4.310 -5.741 1.00 6.93 C ATOM 559 O GLY A 35 -12.109 -3.896 -5.954 1.00 7.41 O ATOM 0 H GLY A 35 -8.615 -6.462 -6.016 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.145 -5.478 -7.315 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.396 -6.307 -6.410 1.00 6.29 H new ATOM 563 N ILE A 36 -10.135 -3.572 -5.036 1.00 5.86 N ATOM 564 CA ILE A 36 -10.474 -2.300 -4.508 1.00 6.07 C ATOM 565 C ILE A 36 -9.825 -1.202 -5.436 1.00 6.36 C ATOM 566 O ILE A 36 -8.639 -1.115 -5.483 1.00 6.18 O ATOM 567 CB ILE A 36 -10.074 -2.185 -3.055 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.561 -3.349 -2.193 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.771 -0.938 -2.483 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.747 -3.439 -0.893 1.00 9.49 C ATOM 0 H ILE A 36 -9.180 -3.867 -4.832 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.554 -2.153 -4.509 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.985 -2.156 -3.028 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.617 -3.217 -1.958 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.472 -4.282 -2.749 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.505 -0.822 -1.432 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.451 -0.056 -3.038 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.851 -1.051 -2.573 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.110 -4.274 -0.294 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.695 -3.594 -1.132 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.858 -2.513 -0.329 1.00 9.49 H new ATOM 582 N PRO A 37 -10.441 -0.223 -6.044 1.00 8.65 N ATOM 583 CA PRO A 37 -9.751 0.900 -6.613 1.00 9.18 C ATOM 584 C PRO A 37 -8.790 1.727 -5.731 1.00 9.85 C ATOM 585 O PRO A 37 -9.187 1.993 -4.585 1.00 8.51 O ATOM 586 CB PRO A 37 -10.901 1.803 -7.175 1.00 11.42 C ATOM 587 CG PRO A 37 -12.149 0.915 -7.262 1.00 9.27 C ATOM 588 CD PRO A 37 -11.881 -0.152 -6.179 1.00 8.33 C ATOM 0 HA PRO A 37 -9.042 0.506 -7.341 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.078 2.658 -6.522 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.638 2.200 -8.155 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.061 1.477 -7.060 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.261 0.470 -8.251 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.349 0.124 -5.234 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.295 -1.117 -6.470 1.00 8.33 H new ATOM 596 N PRO A 38 -7.646 2.237 -6.236 1.00 8.71 N ATOM 597 CA PRO A 38 -6.668 3.031 -5.495 1.00 9.08 C ATOM 598 C PRO A 38 -7.257 4.215 -4.822 1.00 9.28 C ATOM 599 O PRO A 38 -6.702 4.505 -3.755 1.00 6.50 O ATOM 600 CB PRO A 38 -5.737 3.592 -6.563 1.00 10.31 C ATOM 601 CG PRO A 38 -5.608 2.350 -7.475 1.00 10.81 C ATOM 602 CD PRO A 38 -7.065 1.825 -7.563 1.00 12.00 C ATOM 0 HA PRO A 38 -6.208 2.402 -4.733 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.165 4.449 -7.082 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.778 3.913 -6.155 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.213 2.610 -8.457 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.936 1.605 -7.049 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.606 2.270 -8.398 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.098 0.744 -7.702 1.00 12.00 H new ATOM 610 N ASP A 39 -8.336 4.813 -5.311 1.00 11.20 N ATOM 611 CA ASP A 39 -8.929 5.946 -4.601 1.00 14.96 C ATOM 612 C ASP A 39 -9.733 5.521 -3.365 1.00 13.99 C ATOM 613 O ASP A 39 -10.016 6.384 -2.537 1.00 13.75 O ATOM 614 CB ASP A 39 -9.864 6.686 -5.606 1.00 24.16 C ATOM 615 CG ASP A 39 -9.139 7.288 -6.743 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.659 8.411 -6.569 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.078 6.759 -7.870 1.00 35.55 O ATOM 0 H ASP A 39 -8.810 4.544 -6.173 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.128 6.590 -4.239 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.605 5.983 -5.987 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.409 7.468 -5.077 1.00 24.16 H new ATOM 622 N GLN A 40 -10.120 4.285 -3.206 1.00 11.60 N ATOM 623 CA GLN A 40 -10.761 3.811 -1.984 1.00 10.76 C ATOM 624 C GLN A 40 -9.753 3.175 -1.099 1.00 8.01 C ATOM 625 O GLN A 40 -10.147 2.811 0.021 1.00 8.96 O ATOM 626 CB GLN A 40 -11.863 2.743 -2.254 1.00 11.14 C ATOM 627 CG GLN A 40 -13.002 3.269 -3.150 1.00 14.85 C ATOM 628 CD GLN A 40 -14.051 2.191 -3.514 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.497 1.277 -2.819 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.502 2.267 -4.802 1.00 18.16 N ATOM 0 H GLN A 40 -10.004 3.564 -3.918 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.218 4.687 -1.524 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.409 1.872 -2.726 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.280 2.410 -1.303 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.502 4.094 -2.642 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.574 3.673 -4.068 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.163 3.006 -5.418 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.177 1.585 -5.147 1.00 18.16 H new ATOM 639 N GLN A 41 -8.463 3.073 -1.443 1.00 6.52 N ATOM 640 CA GLN A 41 -7.461 2.516 -0.577 1.00 3.87 C ATOM 641 C GLN A 41 -6.782 3.589 0.209 1.00 4.79 C ATOM 642 O GLN A 41 -6.373 4.612 -0.305 1.00 6.34 O ATOM 643 CB GLN A 41 -6.365 1.760 -1.378 1.00 4.20 C ATOM 644 CG GLN A 41 -6.946 0.523 -2.005 1.00 3.20 C ATOM 645 CD GLN A 41 -5.875 -0.076 -2.983 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.737 -0.180 -2.515 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.153 -0.405 -4.239 1.00 7.13 N ATOM 0 H GLN A 41 -8.099 3.383 -2.344 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.979 1.822 0.086 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.954 2.410 -2.150 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.541 1.490 -0.717 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.210 -0.205 -1.238 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.862 0.764 -2.545 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.104 -0.307 -4.593 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.415 -0.756 -4.849 1.00 7.13 H new ATOM 656 N ARG A 42 -6.547 3.372 1.512 1.00 5.73 N ATOM 657 CA ARG A 42 -5.592 4.132 2.275 1.00 6.97 C ATOM 658 C ARG A 42 -4.412 3.287 2.782 1.00 7.15 C ATOM 659 O ARG A 42 -4.693 2.234 3.376 1.00 7.33 O ATOM 660 CB ARG A 42 -6.211 4.821 3.467 1.00 13.23 C ATOM 661 CG ARG A 42 -5.183 5.570 4.348 1.00 21.27 C ATOM 662 CD ARG A 42 -5.776 6.532 5.394 1.00 26.14 C ATOM 663 NE ARG A 42 -6.317 7.696 4.668 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.563 8.148 4.707 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.601 7.439 5.169 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.821 9.316 4.168 1.00 36.39 N ATOM 0 H ARG A 42 -7.028 2.654 2.054 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.225 4.877 1.569 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.963 5.529 3.118 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.729 4.081 4.076 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.570 4.832 4.866 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.518 6.136 3.696 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.561 6.039 5.967 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.011 6.845 6.105 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.664 8.207 4.074 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.456 6.492 5.519 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.536 7.846 5.171 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.071 9.853 3.732 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.771 9.687 4.185 1.00 36.39 H new ATOM 680 N LEU A 43 -3.118 3.613 2.601 1.00 4.65 N ATOM 681 CA LEU A 43 -2.048 2.747 3.168 1.00 3.51 C ATOM 682 C LEU A 43 -1.286 3.555 4.256 1.00 5.56 C ATOM 683 O LEU A 43 -1.108 4.782 4.103 1.00 4.19 O ATOM 684 CB LEU A 43 -1.007 2.262 2.098 1.00 3.74 C ATOM 685 CG LEU A 43 -1.542 1.501 0.837 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.452 0.954 -0.088 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.579 0.456 1.159 1.00 6.41 C ATOM 0 H LEU A 43 -2.789 4.432 2.090 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.534 1.860 3.574 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.455 3.135 1.751 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.291 1.612 2.601 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.046 2.281 0.266 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.914 0.443 -0.933 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.162 1.777 -0.453 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.174 0.251 0.463 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.904 -0.030 0.239 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.150 -0.288 1.830 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.435 0.929 1.641 1.00 6.41 H new ATOM 699 N ILE A 44 -0.944 2.825 5.353 1.00 4.58 N ATOM 700 CA ILE A 44 -0.311 3.258 6.574 1.00 5.55 C ATOM 701 C ILE A 44 0.919 2.439 6.794 1.00 5.46 C ATOM 702 O ILE A 44 0.801 1.213 6.818 1.00 6.04 O ATOM 703 CB ILE A 44 -1.288 3.212 7.869 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.582 3.975 7.588 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.514 3.773 9.095 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.487 5.450 7.450 1.00 13.90 C ATOM 0 H ILE A 44 -1.135 1.823 5.380 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.050 4.310 6.456 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.580 2.186 8.092 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.015 3.578 6.670 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.284 3.756 8.393 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.158 3.749 9.974 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.371 3.163 9.277 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.212 4.801 8.895 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.477 5.861 7.253 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.094 5.877 8.372 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.821 5.696 6.623 1.00 13.90 H new ATOM 718 N PHE A 45 2.138 3.007 7.070 1.00 6.75 N ATOM 719 CA PHE A 45 3.358 2.290 7.395 1.00 4.70 C ATOM 720 C PHE A 45 3.843 2.774 8.724 1.00 6.34 C ATOM 721 O PHE A 45 4.287 3.961 8.808 1.00 5.45 O ATOM 722 CB PHE A 45 4.551 2.446 6.403 1.00 5.51 C ATOM 723 CG PHE A 45 5.782 1.709 6.693 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.873 0.343 7.124 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.998 2.434 6.563 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.099 -0.227 7.525 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.188 1.864 6.953 1.00 6.64 C ATOM 728 CZ PHE A 45 8.264 0.543 7.426 1.00 6.84 C ATOM 0 H PHE A 45 2.272 4.018 7.064 1.00 6.75 H new ATOM 0 HA PHE A 45 3.072 1.239 7.362 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.206 2.145 5.414 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.801 3.505 6.344 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.980 -0.264 7.142 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.988 3.435 6.157 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.138 -1.239 7.901 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.093 2.451 6.894 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.217 0.123 7.712 1.00 6.84 H new ATOM 738 N ALA A 46 3.698 1.979 9.861 1.00 6.53 N ATOM 739 CA ALA A 46 3.861 2.388 11.230 1.00 7.15 C ATOM 740 C ALA A 46 3.493 3.808 11.593 1.00 9.00 C ATOM 741 O ALA A 46 4.289 4.667 11.986 1.00 11.15 O ATOM 742 CB ALA A 46 5.085 1.804 11.849 1.00 8.99 C ATOM 0 H ALA A 46 3.451 0.992 9.787 1.00 6.53 H new ATOM 0 HA ALA A 46 3.032 1.918 11.759 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.166 2.141 12.882 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.021 0.716 11.826 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.964 2.128 11.292 1.00 8.99 H new ATOM 748 N GLY A 47 2.206 4.082 11.493 1.00 9.35 N ATOM 749 CA GLY A 47 1.535 5.355 11.867 1.00 11.68 C ATOM 750 C GLY A 47 1.570 6.434 10.807 1.00 11.14 C ATOM 751 O GLY A 47 0.823 7.388 10.859 1.00 13.93 O ATOM 0 H GLY A 47 1.545 3.395 11.130 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.495 5.141 12.112 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.002 5.742 12.773 1.00 11.68 H new ATOM 755 N LYS A 48 2.411 6.300 9.816 1.00 10.47 N ATOM 756 CA LYS A 48 2.618 7.263 8.766 1.00 8.82 C ATOM 757 C LYS A 48 1.918 6.910 7.494 1.00 7.68 C ATOM 758 O LYS A 48 2.050 5.772 7.014 1.00 6.47 O ATOM 759 CB LYS A 48 4.178 7.408 8.549 1.00 9.74 C ATOM 760 CG LYS A 48 4.622 8.452 7.549 1.00 14.14 C ATOM 761 CD LYS A 48 6.094 8.948 7.635 1.00 16.32 C ATOM 762 CE LYS A 48 6.447 10.078 6.740 1.00 20.04 C ATOM 763 NZ LYS A 48 5.586 11.266 6.975 1.00 23.92 N ATOM 0 H LYS A 48 3.001 5.474 9.714 1.00 10.47 H new ATOM 0 HA LYS A 48 2.181 8.214 9.069 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.637 7.638 9.510 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.570 6.442 8.232 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.460 8.050 6.549 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.968 9.318 7.654 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.298 9.246 8.663 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.754 8.110 7.409 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.491 10.351 6.895 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.351 9.761 5.701 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.998 12.093 6.497 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.634 11.085 6.596 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.522 11.452 7.996 1.00 23.92 H new ATOM 777 N GLN A 49 1.149 7.865 6.885 1.00 8.89 N ATOM 778 CA GLN A 49 0.428 7.643 5.684 1.00 7.18 C ATOM 779 C GLN A 49 1.307 7.735 4.411 1.00 8.23 C ATOM 780 O GLN A 49 2.362 8.355 4.319 1.00 9.70 O ATOM 781 CB GLN A 49 -0.815 8.680 5.652 1.00 11.67 C ATOM 782 CG GLN A 49 -1.764 8.476 4.484 1.00 15.82 C ATOM 783 CD GLN A 49 -2.878 9.523 4.362 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.059 9.257 4.572 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.567 10.828 4.058 1.00 20.67 N ATOM 0 H GLN A 49 1.041 8.809 7.256 1.00 8.89 H new ATOM 0 HA GLN A 49 0.059 6.617 5.677 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.376 8.587 6.582 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.425 9.697 5.616 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.185 8.475 3.561 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.221 7.491 4.575 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.599 11.093 3.876 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.305 11.531 4.014 1.00 20.67 H new ATOM 794 N LEU A 50 0.862 6.973 3.387 1.00 6.51 N ATOM 795 CA LEU A 50 1.589 6.786 2.149 1.00 7.41 C ATOM 796 C LEU A 50 0.875 7.495 1.036 1.00 8.27 C ATOM 797 O LEU A 50 -0.358 7.299 0.950 1.00 8.34 O ATOM 798 CB LEU A 50 1.821 5.355 1.796 1.00 7.13 C ATOM 799 CG LEU A 50 2.484 4.430 2.946 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.745 2.981 2.449 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.673 5.058 3.681 1.00 9.11 C ATOM 0 H LEU A 50 -0.026 6.472 3.415 1.00 6.51 H new ATOM 0 HA LEU A 50 2.579 7.216 2.297 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.866 4.914 1.511 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.464 5.320 0.916 1.00 7.13 H new ATOM 0 HG LEU A 50 1.727 4.360 3.727 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.191 2.395 3.253 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.802 2.525 2.147 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.425 3.005 1.598 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.046 4.361 4.431 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.465 5.281 2.967 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.354 5.979 4.169 1.00 9.11 H new ATOM 813 N GLU A 51 1.523 8.345 0.224 1.00 9.43 N ATOM 814 CA GLU A 51 0.987 9.217 -0.772 1.00 11.90 C ATOM 815 C GLU A 51 1.222 8.693 -2.180 1.00 11.49 C ATOM 816 O GLU A 51 2.377 8.363 -2.492 1.00 9.88 O ATOM 817 CB GLU A 51 1.474 10.676 -0.592 1.00 16.56 C ATOM 818 CG GLU A 51 1.139 11.249 0.769 1.00 26.06 C ATOM 819 CD GLU A 51 1.736 12.686 1.104 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.447 13.211 0.189 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.690 13.152 2.311 1.00 32.13 O ATOM 0 H GLU A 51 2.538 8.428 0.274 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.093 9.234 -0.628 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.553 10.714 -0.740 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.024 11.301 -1.364 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.054 11.302 0.859 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.488 10.549 1.528 1.00 26.06 H new ATOM 828 N ASP A 52 0.213 8.624 -3.042 1.00 12.71 N ATOM 829 CA ASP A 52 0.178 8.052 -4.381 1.00 16.56 C ATOM 830 C ASP A 52 1.462 8.235 -5.248 1.00 15.83 C ATOM 831 O ASP A 52 1.957 7.213 -5.799 1.00 17.21 O ATOM 832 CB ASP A 52 -1.191 8.477 -5.060 1.00 21.05 C ATOM 833 CG ASP A 52 -2.397 8.361 -4.166 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.658 7.384 -3.431 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.101 9.416 -4.056 1.00 28.37 O ATOM 0 H ASP A 52 -0.697 9.009 -2.791 1.00 12.71 H new ATOM 0 HA ASP A 52 0.200 6.966 -4.291 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.107 9.508 -5.402 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.350 7.860 -5.944 1.00 21.05 H new ATOM 840 N GLY A 53 1.983 9.463 -5.382 1.00 15.00 N ATOM 841 CA GLY A 53 3.136 9.799 -6.256 1.00 11.77 C ATOM 842 C GLY A 53 4.517 9.655 -5.630 1.00 11.10 C ATOM 843 O GLY A 53 5.485 9.969 -6.273 1.00 11.25 O ATOM 0 H GLY A 53 1.614 10.271 -4.881 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.092 9.163 -7.140 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.020 10.828 -6.597 1.00 11.77 H new ATOM 847 N ARG A 54 4.521 9.341 -4.319 1.00 8.53 N ATOM 848 CA ARG A 54 5.714 9.078 -3.621 1.00 9.05 C ATOM 849 C ARG A 54 6.228 7.672 -3.761 1.00 8.96 C ATOM 850 O ARG A 54 5.468 6.851 -4.296 1.00 11.60 O ATOM 851 CB ARG A 54 5.652 9.511 -2.115 1.00 7.97 C ATOM 852 CG ARG A 54 5.364 10.975 -1.801 1.00 9.62 C ATOM 853 CD ARG A 54 6.583 11.794 -2.057 1.00 12.20 C ATOM 854 NE ARG A 54 6.096 13.205 -1.900 1.00 18.23 N ATOM 855 CZ ARG A 54 6.849 14.313 -1.877 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.177 14.377 -1.835 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.158 15.410 -1.848 1.00 23.38 N ATOM 0 H ARG A 54 3.678 9.273 -3.749 1.00 8.53 H new ATOM 0 HA ARG A 54 6.447 9.712 -4.120 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.887 8.908 -1.626 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.605 9.252 -1.654 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.538 11.333 -2.416 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.056 11.080 -0.761 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.378 11.563 -1.348 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.984 11.616 -3.055 1.00 12.20 H new ATOM 0 HE ARG A 54 5.089 13.334 -1.801 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.729 13.519 -1.817 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.644 15.284 -1.821 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.139 15.371 -1.844 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.634 16.312 -1.829 1.00 23.38 H new ATOM 871 N THR A 55 7.496 7.326 -3.392 1.00 9.05 N ATOM 872 CA THR A 55 8.120 6.024 -3.697 1.00 9.03 C ATOM 873 C THR A 55 8.248 5.237 -2.455 1.00 8.15 C ATOM 874 O THR A 55 8.259 5.787 -1.329 1.00 5.91 O ATOM 875 CB THR A 55 9.510 6.059 -4.341 1.00 11.15 C ATOM 876 OG1 THR A 55 10.435 6.831 -3.517 1.00 11.95 O ATOM 877 CG2 THR A 55 9.409 6.799 -5.692 1.00 11.71 C ATOM 0 H THR A 55 8.109 7.954 -2.872 1.00 9.05 H new ATOM 0 HA THR A 55 7.448 5.587 -4.436 1.00 9.03 H new ATOM 0 HB THR A 55 9.862 5.034 -4.455 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.989 7.644 -3.198 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.391 6.832 -6.163 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.712 6.273 -6.344 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.053 7.815 -5.524 1.00 11.71 H new ATOM 885 N LEU A 56 8.457 3.912 -2.599 1.00 6.91 N ATOM 886 CA LEU A 56 8.573 2.977 -1.448 1.00 8.29 C ATOM 887 C LEU A 56 9.787 3.377 -0.637 1.00 8.05 C ATOM 888 O LEU A 56 9.834 3.355 0.606 1.00 10.17 O ATOM 889 CB LEU A 56 8.671 1.484 -1.883 1.00 6.60 C ATOM 890 CG LEU A 56 7.315 0.857 -2.330 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.960 1.078 -3.811 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.457 -0.612 -2.109 1.00 8.64 C ATOM 0 H LEU A 56 8.550 3.457 -3.507 1.00 6.91 H new ATOM 0 HA LEU A 56 7.664 3.052 -0.851 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.384 1.403 -2.704 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.072 0.901 -1.054 1.00 6.60 H new ATOM 0 HG LEU A 56 6.519 1.333 -1.758 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.001 0.607 -4.030 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.894 2.147 -4.014 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.733 0.637 -4.440 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.536 -1.115 -2.404 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.285 -0.992 -2.707 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.654 -0.804 -1.054 1.00 8.64 H new ATOM 904 N SER A 57 10.845 3.719 -1.424 1.00 8.92 N ATOM 905 CA SER A 57 12.105 4.214 -0.854 1.00 9.00 C ATOM 906 C SER A 57 11.962 5.442 0.039 1.00 9.44 C ATOM 907 O SER A 57 12.764 5.569 0.956 1.00 10.91 O ATOM 908 CB SER A 57 13.025 4.656 -2.015 1.00 10.32 C ATOM 909 OG SER A 57 14.345 4.868 -1.529 1.00 13.59 O ATOM 0 H SER A 57 10.840 3.658 -2.442 1.00 8.92 H new ATOM 0 HA SER A 57 12.493 3.393 -0.251 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.033 3.895 -2.795 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.642 5.571 -2.466 1.00 10.32 H new ATOM 0 HG SER A 57 14.925 5.146 -2.268 1.00 13.59 H new ATOM 915 N ASP A 58 11.003 6.393 -0.227 1.00 9.11 N ATOM 916 CA ASP A 58 10.896 7.512 0.647 1.00 7.91 C ATOM 917 C ASP A 58 10.321 7.178 2.040 1.00 9.12 C ATOM 918 O ASP A 58 10.400 7.993 2.978 1.00 8.61 O ATOM 919 CB ASP A 58 9.707 8.394 0.085 1.00 8.41 C ATOM 920 CG ASP A 58 10.079 9.071 -1.204 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.136 9.837 -1.260 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.322 8.924 -2.205 1.00 11.70 O ATOM 0 H ASP A 58 10.347 6.372 -1.008 1.00 9.11 H new ATOM 0 HA ASP A 58 11.898 7.937 0.710 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.831 7.765 -0.074 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.430 9.146 0.824 1.00 8.41 H new ATOM 927 N TYR A 59 9.662 6.028 2.257 1.00 7.97 N ATOM 928 CA TYR A 59 8.964 5.885 3.558 1.00 8.45 C ATOM 929 C TYR A 59 9.656 4.866 4.453 1.00 10.98 C ATOM 930 O TYR A 59 9.064 4.495 5.456 1.00 12.95 O ATOM 931 CB TYR A 59 7.552 5.228 3.259 1.00 7.94 C ATOM 932 CG TYR A 59 6.676 6.200 2.638 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.196 7.325 3.430 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.298 6.191 1.261 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.303 8.268 2.915 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.447 7.143 0.715 1.00 6.52 C ATOM 937 CZ TYR A 59 4.925 8.178 1.561 1.00 6.76 C ATOM 938 OH TYR A 59 4.192 9.223 0.945 1.00 7.63 O ATOM 0 H TYR A 59 9.594 5.240 1.613 1.00 7.97 H new ATOM 0 HA TYR A 59 8.930 6.866 4.033 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.674 4.365 2.604 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.107 4.864 4.185 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.542 7.433 4.447 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.689 5.415 0.620 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.909 9.053 3.544 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.182 7.105 -0.331 1.00 6.52 H new ATOM 0 HH TYR A 59 4.631 10.080 1.124 1.00 7.63 H new ATOM 948 N ASN A 60 10.821 4.283 4.119 1.00 12.38 N ATOM 949 CA ASN A 60 11.592 3.344 4.877 1.00 13.94 C ATOM 950 C ASN A 60 11.051 1.894 4.757 1.00 14.16 C ATOM 951 O ASN A 60 11.363 0.980 5.532 1.00 14.26 O ATOM 952 CB ASN A 60 11.889 3.731 6.366 1.00 19.23 C ATOM 953 CG ASN A 60 12.395 5.141 6.414 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.149 5.622 5.591 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.023 5.853 7.486 1.00 24.09 N ATOM 0 H ASN A 60 11.267 4.492 3.226 1.00 12.38 H new ATOM 0 HA ASN A 60 12.569 3.388 4.396 1.00 13.94 H new ATOM 0 HB2 ASN A 60 10.985 3.635 6.967 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.628 3.052 6.791 1.00 19.23 H new ATOM 0 HD21 ASN A 60 12.373 6.803 7.614 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.390 5.446 8.174 1.00 24.09 H new ATOM 962 N ILE A 61 10.257 1.646 3.714 1.00 11.08 N ATOM 963 CA ILE A 61 9.845 0.323 3.300 1.00 11.78 C ATOM 964 C ILE A 61 11.031 -0.406 2.740 1.00 13.74 C ATOM 965 O ILE A 61 11.952 0.148 2.152 1.00 14.60 O ATOM 966 CB ILE A 61 8.654 0.408 2.254 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.461 1.200 2.751 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.267 -1.026 1.907 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.327 1.415 1.698 1.00 11.42 C ATOM 0 H ILE A 61 9.878 2.387 3.124 1.00 11.08 H new ATOM 0 HA ILE A 61 9.471 -0.233 4.159 1.00 11.78 H new ATOM 0 HB ILE A 61 8.991 0.955 1.373 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.040 0.689 3.617 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.808 2.175 3.093 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.448 -1.018 1.188 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.125 -1.540 1.474 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.951 -1.546 2.811 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.518 1.991 2.147 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.725 1.956 0.840 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.945 0.448 1.372 1.00 11.42 H new ATOM 981 N GLN A 62 11.089 -1.672 3.070 1.00 13.97 N ATOM 982 CA GLN A 62 12.183 -2.483 2.695 1.00 15.52 C ATOM 983 C GLN A 62 11.706 -3.924 2.668 1.00 13.94 C ATOM 984 O GLN A 62 10.567 -4.194 2.936 1.00 12.15 O ATOM 985 CB GLN A 62 13.424 -2.319 3.634 1.00 19.53 C ATOM 986 CG GLN A 62 13.083 -2.373 5.126 1.00 26.38 C ATOM 987 CD GLN A 62 14.362 -2.186 5.984 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.331 -1.540 5.614 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.330 -2.751 7.203 1.00 32.71 N ATOM 0 H GLN A 62 10.369 -2.155 3.608 1.00 13.97 H new ATOM 0 HA GLN A 62 12.527 -2.169 1.709 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.145 -3.104 3.407 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.909 -1.368 3.416 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.359 -1.595 5.368 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.615 -3.328 5.364 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.513 -3.287 7.495 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.123 -2.644 7.836 1.00 32.71 H new ATOM 998 N LYS A 63 12.520 -4.880 2.229 1.00 11.73 N ATOM 999 CA LYS A 63 12.086 -6.303 2.265 1.00 11.97 C ATOM 1000 C LYS A 63 11.662 -6.700 3.673 1.00 10.41 C ATOM 1001 O LYS A 63 12.229 -6.300 4.675 1.00 9.59 O ATOM 1002 CB LYS A 63 13.234 -7.214 1.785 1.00 13.73 C ATOM 1003 CG LYS A 63 14.480 -7.036 2.638 1.00 16.98 C ATOM 1004 CD LYS A 63 15.577 -7.972 2.158 1.00 20.19 C ATOM 1005 CE LYS A 63 16.945 -7.920 2.842 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.747 -7.903 4.295 1.00 25.97 N ATOM 0 H LYS A 63 13.455 -4.721 1.854 1.00 11.73 H new ATOM 0 HA LYS A 63 11.231 -6.421 1.600 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.913 -8.255 1.821 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.469 -6.988 0.745 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.823 -6.003 2.584 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.248 -7.241 3.683 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.203 -8.992 2.247 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.732 -7.781 1.096 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.544 -8.783 2.553 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.492 -7.032 2.525 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.664 -8.021 4.772 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.325 -6.996 4.577 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.112 -8.680 4.568 1.00 25.97 H new ATOM 1020 N GLU A 64 10.578 -7.493 3.741 1.00 10.04 N ATOM 1021 CA GLU A 64 9.960 -7.914 4.999 1.00 10.94 C ATOM 1022 C GLU A 64 9.338 -6.948 5.839 1.00 9.74 C ATOM 1023 O GLU A 64 9.313 -7.078 7.046 1.00 9.42 O ATOM 1024 CB GLU A 64 10.857 -8.896 5.848 1.00 18.31 C ATOM 1025 CG GLU A 64 11.264 -10.250 5.112 1.00 24.16 C ATOM 1026 CD GLU A 64 12.084 -11.165 6.017 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.175 -10.773 6.459 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.667 -12.340 6.280 1.00 31.72 O ATOM 0 H GLU A 64 10.107 -7.860 2.914 1.00 10.04 H new ATOM 0 HA GLU A 64 9.104 -8.446 4.584 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.767 -8.371 6.139 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.326 -9.146 6.766 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.364 -10.772 4.788 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.838 -10.017 4.215 1.00 24.16 H new ATOM 1035 N SER A 65 8.700 -5.887 5.286 1.00 6.85 N ATOM 1036 CA SER A 65 8.103 -4.832 6.097 1.00 6.90 C ATOM 1037 C SER A 65 6.588 -4.970 6.024 1.00 4.72 C ATOM 1038 O SER A 65 6.073 -5.481 5.028 1.00 3.91 O ATOM 1039 CB SER A 65 8.472 -3.428 5.621 1.00 7.28 C ATOM 1040 OG SER A 65 9.855 -3.179 5.355 1.00 10.56 O ATOM 0 H SER A 65 8.593 -5.752 4.281 1.00 6.85 H new ATOM 0 HA SER A 65 8.484 -4.948 7.112 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.908 -3.219 4.712 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.137 -2.715 6.375 1.00 7.28 H new ATOM 0 HG SER A 65 10.128 -3.673 4.554 1.00 10.56 H new ATOM 1046 N THR A 66 5.788 -4.596 7.060 1.00 4.48 N ATOM 1047 CA THR A 66 4.391 -4.902 6.993 1.00 3.80 C ATOM 1048 C THR A 66 3.586 -3.618 6.912 1.00 4.60 C ATOM 1049 O THR A 66 3.633 -2.710 7.765 1.00 5.33 O ATOM 1050 CB THR A 66 3.919 -5.656 8.250 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.702 -6.844 8.393 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.420 -6.041 8.168 1.00 3.40 C ATOM 0 H THR A 66 6.096 -4.107 7.900 1.00 4.48 H new ATOM 0 HA THR A 66 4.240 -5.523 6.110 1.00 3.80 H new ATOM 0 HB THR A 66 4.045 -4.997 9.109 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.412 -7.333 9.191 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.130 -6.571 9.075 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.818 -5.138 8.067 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.256 -6.685 7.304 1.00 3.40 H new ATOM 1060 N LEU A 67 2.869 -3.482 5.783 1.00 4.17 N ATOM 1061 CA LEU A 67 2.045 -2.378 5.587 1.00 3.85 C ATOM 1062 C LEU A 67 0.599 -2.643 5.969 1.00 3.80 C ATOM 1063 O LEU A 67 0.146 -3.778 5.842 1.00 5.54 O ATOM 1064 CB LEU A 67 2.087 -1.955 4.102 1.00 7.18 C ATOM 1065 CG LEU A 67 3.166 -0.924 3.609 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.626 -1.578 3.715 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.859 -0.453 2.187 1.00 11.66 C ATOM 0 H LEU A 67 2.875 -4.152 5.014 1.00 4.17 H new ATOM 0 HA LEU A 67 2.424 -1.588 6.235 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.211 -2.862 3.510 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.108 -1.544 3.854 1.00 7.18 H new ATOM 0 HG LEU A 67 3.139 -0.043 4.250 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.372 -0.861 3.372 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.830 -1.847 4.752 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.670 -2.472 3.093 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.619 0.260 1.868 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.858 -1.309 1.512 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.880 0.027 2.166 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.130 -1.582 6.335 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.520 -1.684 6.699 1.00 4.17 C ATOM 1081 C HIS A 68 -2.336 -1.068 5.617 1.00 5.32 C ATOM 1082 O HIS A 68 -2.084 -0.008 5.042 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.845 -1.039 8.057 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.842 -1.332 9.157 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.934 -2.333 10.067 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.184 -0.528 9.566 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.064 -2.160 10.965 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.750 -1.034 10.742 1.00 16.30 N ATOM 0 H HIS A 68 0.242 -0.633 6.382 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.760 -2.741 6.812 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.912 0.041 7.924 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.828 -1.382 8.380 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.510 0.367 9.057 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.281 -2.850 11.767 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.507 -0.637 11.298 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.461 -1.710 5.308 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.391 -1.273 4.282 1.00 3.97 C ATOM 1098 C LEU A 69 -5.750 -1.033 4.984 1.00 5.07 C ATOM 1099 O LEU A 69 -6.235 -1.941 5.682 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.603 -2.344 3.173 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.845 -2.259 2.284 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.013 -0.984 1.358 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.780 -3.490 1.377 1.00 9.96 C ATOM 0 H LEU A 69 -3.753 -2.567 5.778 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.991 -0.379 3.803 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.730 -2.319 2.521 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.612 -3.321 3.657 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.696 -2.196 2.962 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.939 -1.067 0.789 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.047 -0.087 1.976 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.169 -0.920 0.671 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.642 -3.496 0.710 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.864 -3.459 0.787 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.788 -4.393 1.988 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.291 0.153 4.766 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.516 0.540 5.387 1.00 6.26 C ATOM 1117 C VAL A 70 -8.361 1.138 4.287 1.00 9.22 C ATOM 1118 O VAL A 70 -7.875 1.604 3.220 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.343 1.591 6.477 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.605 1.990 7.210 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.245 1.119 7.496 1.00 8.54 C ATOM 0 H VAL A 70 -5.885 0.861 4.155 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.958 -0.333 5.867 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.033 2.497 5.956 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.367 2.742 7.962 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.323 2.401 6.501 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.036 1.115 7.696 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.123 1.872 8.274 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.550 0.176 7.949 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.299 0.981 6.973 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.726 1.103 4.455 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.580 1.696 3.453 1.00 16.06 C ATOM 1133 C LEU A 71 -10.663 3.217 3.632 1.00 18.09 C ATOM 1134 O LEU A 71 -10.970 3.782 4.662 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.035 1.103 3.380 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.136 -0.192 2.545 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.847 -0.033 1.036 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.467 -1.433 3.107 1.00 19.57 C ATOM 0 H LEU A 71 -10.208 0.682 5.249 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.100 1.444 2.507 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.387 0.901 4.392 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.702 1.852 2.954 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.204 -0.383 2.647 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.945 -1.000 0.543 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.558 0.669 0.601 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.834 0.344 0.897 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.615 -2.268 2.422 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.400 -1.248 3.228 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.905 -1.676 4.075 1.00 19.57 H new