USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 701 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 THR OG1 : rot 178:sc= 0.0722 USER MOD Set 2.3: A 84 GLN : amide:sc= -1.58 K(o=-1.5,f=-2) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.374 (180deg=-0.012) USER MOD Single : A 4 THR OG1 : rot -57:sc= 0.122 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= -0.442 (180deg=-0.731) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -109:sc= -0.955 (180deg=-5.47!) USER MOD Single : A 26 GLN : amide:sc= -0.074 X(o=-0.074,f=-0.13) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.138) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.91 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -4.06! C(o=-4.1!,f=-5.9!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= -0.0404 (180deg=-0.308) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.399 X(o=-0.4,f=0.0061) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -7.62! C(o=-7.6!,f=-12!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -109:sc= -2.85 (180deg=-10.7!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -120:sc= -1.56 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -5.29! C(o=-5.3!,f=-2.1!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.908 -1.087 -1.320 1.00 52.32 N ATOM 2 CA MET A 1 2.196 -0.544 -1.737 1.00 54.12 C ATOM 3 C MET A 1 2.062 0.919 -2.147 1.00 52.31 C ATOM 4 O MET A 1 1.996 1.237 -3.334 1.00 52.30 O ATOM 5 CB MET A 1 2.766 -1.361 -2.898 1.00 54.13 C ATOM 6 CG MET A 1 3.372 -2.687 -2.468 1.00 44.43 C ATOM 7 SD MET A 1 4.973 -2.489 -1.661 1.00 55.22 S ATOM 8 CE MET A 1 6.062 -2.418 -3.081 1.00 54.54 C ATOM 0 H1 MET A 1 0.985 -1.458 -0.351 1.00 52.32 H new ATOM 0 H2 MET A 1 0.189 -0.336 -1.348 1.00 52.32 H new ATOM 0 H3 MET A 1 0.630 -1.855 -1.964 1.00 52.32 H new ATOM 0 HA MET A 1 2.879 -0.604 -0.890 1.00 54.12 H new ATOM 0 HB2 MET A 1 1.973 -1.551 -3.622 1.00 54.13 H new ATOM 0 HB3 MET A 1 3.528 -0.771 -3.407 1.00 54.13 H new ATOM 0 HG2 MET A 1 2.686 -3.192 -1.788 1.00 44.43 H new ATOM 0 HG3 MET A 1 3.486 -3.330 -3.341 1.00 44.43 H new ATOM 0 HE1 MET A 1 7.092 -2.297 -2.744 1.00 54.54 H new ATOM 0 HE2 MET A 1 5.974 -3.341 -3.654 1.00 54.54 H new ATOM 0 HE3 MET A 1 5.784 -1.573 -3.711 1.00 54.54 H new ATOM 18 N ALA A 2 2.022 1.805 -1.157 1.00 40.23 N ATOM 19 CA ALA A 2 1.898 3.234 -1.416 1.00 11.42 C ATOM 20 C ALA A 2 3.093 3.755 -2.206 1.00 43.24 C ATOM 21 O ALA A 2 3.036 4.831 -2.803 1.00 1.24 O ATOM 22 CB ALA A 2 1.756 3.997 -0.107 1.00 15.01 C ATOM 0 H ALA A 2 2.074 1.558 -0.169 1.00 40.23 H new ATOM 0 HA ALA A 2 1.002 3.392 -2.016 1.00 11.42 H new ATOM 0 HB1 ALA A 2 1.664 5.063 -0.315 1.00 15.01 H new ATOM 0 HB2 ALA A 2 0.866 3.652 0.420 1.00 15.01 H new ATOM 0 HB3 ALA A 2 2.635 3.823 0.513 1.00 15.01 H new ATOM 28 N THR A 3 4.177 2.985 -2.207 1.00 43.41 N ATOM 29 CA THR A 3 5.387 3.370 -2.923 1.00 3.02 C ATOM 30 C THR A 3 5.125 3.493 -4.419 1.00 64.55 C ATOM 31 O THR A 3 5.257 4.572 -4.998 1.00 21.14 O ATOM 32 CB THR A 3 6.522 2.355 -2.693 1.00 65.52 C ATOM 33 OG1 THR A 3 5.974 1.062 -2.414 1.00 21.43 O ATOM 34 CG2 THR A 3 7.415 2.792 -1.542 1.00 3.02 C ATOM 0 H THR A 3 4.242 2.091 -1.720 1.00 43.41 H new ATOM 0 HA THR A 3 5.692 4.340 -2.530 1.00 3.02 H new ATOM 0 HB THR A 3 7.124 2.306 -3.600 1.00 65.52 H new ATOM 0 HG1 THR A 3 6.702 0.415 -2.303 1.00 21.43 H new ATOM 0 HG21 THR A 3 8.209 2.059 -1.399 1.00 3.02 H new ATOM 0 HG22 THR A 3 7.854 3.763 -1.771 1.00 3.02 H new ATOM 0 HG23 THR A 3 6.823 2.868 -0.630 1.00 3.02 H new ATOM 42 N THR A 4 4.753 2.379 -5.044 1.00 13.44 N ATOM 43 CA THR A 4 4.472 2.362 -6.474 1.00 5.13 C ATOM 44 C THR A 4 3.588 3.537 -6.875 1.00 3.21 C ATOM 45 O THR A 4 3.852 4.214 -7.869 1.00 41.10 O ATOM 46 CB THR A 4 3.785 1.050 -6.896 1.00 23.33 C ATOM 47 OG1 THR A 4 2.457 0.999 -6.364 1.00 54.52 O ATOM 48 CG2 THR A 4 4.577 -0.156 -6.411 1.00 53.30 C ATOM 0 H THR A 4 4.640 1.477 -4.581 1.00 13.44 H new ATOM 0 HA THR A 4 5.431 2.442 -6.985 1.00 5.13 H new ATOM 0 HB THR A 4 3.741 1.023 -7.985 1.00 23.33 H new ATOM 0 HG1 THR A 4 2.492 1.088 -5.389 1.00 54.52 H new ATOM 0 HG21 THR A 4 4.072 -1.071 -6.721 1.00 53.30 H new ATOM 0 HG22 THR A 4 5.578 -0.130 -6.841 1.00 53.30 H new ATOM 0 HG23 THR A 4 4.648 -0.131 -5.324 1.00 53.30 H new ATOM 56 N TYR A 5 2.539 3.775 -6.096 1.00 20.11 N ATOM 57 CA TYR A 5 1.615 4.868 -6.372 1.00 15.25 C ATOM 58 C TYR A 5 2.275 6.219 -6.112 1.00 61.21 C ATOM 59 O TYR A 5 2.095 7.166 -6.876 1.00 44.24 O ATOM 60 CB TYR A 5 0.357 4.730 -5.512 1.00 31.51 C ATOM 61 CG TYR A 5 -0.281 3.361 -5.588 1.00 61.25 C ATOM 62 CD1 TYR A 5 -0.380 2.686 -6.799 1.00 24.30 C ATOM 63 CD2 TYR A 5 -0.786 2.743 -4.451 1.00 43.10 C ATOM 64 CE1 TYR A 5 -0.962 1.435 -6.874 1.00 52.20 C ATOM 65 CE2 TYR A 5 -1.369 1.492 -4.516 1.00 45.44 C ATOM 66 CZ TYR A 5 -1.455 0.843 -5.730 1.00 64.40 C ATOM 67 OH TYR A 5 -2.036 -0.403 -5.800 1.00 2.24 O ATOM 0 H TYR A 5 2.307 3.226 -5.268 1.00 20.11 H new ATOM 0 HA TYR A 5 1.336 4.816 -7.424 1.00 15.25 H new ATOM 0 HB2 TYR A 5 0.611 4.946 -4.474 1.00 31.51 H new ATOM 0 HB3 TYR A 5 -0.371 5.479 -5.825 1.00 31.51 H new ATOM 0 HD1 TYR A 5 0.005 3.147 -7.697 1.00 24.30 H new ATOM 0 HD2 TYR A 5 -0.722 3.249 -3.499 1.00 43.10 H new ATOM 0 HE1 TYR A 5 -1.030 0.924 -7.823 1.00 52.20 H new ATOM 0 HE2 TYR A 5 -1.755 1.025 -3.622 1.00 45.44 H new ATOM 0 HH TYR A 5 -2.330 -0.677 -4.906 1.00 2.24 H new ATOM 77 N GLU A 6 3.041 6.297 -5.028 1.00 54.31 N ATOM 78 CA GLU A 6 3.728 7.531 -4.667 1.00 43.52 C ATOM 79 C GLU A 6 4.754 7.914 -5.730 1.00 71.25 C ATOM 80 O GLU A 6 5.176 9.067 -5.813 1.00 60.45 O ATOM 81 CB GLU A 6 4.417 7.379 -3.310 1.00 4.24 C ATOM 82 CG GLU A 6 5.034 8.668 -2.792 1.00 34.12 C ATOM 83 CD GLU A 6 6.486 8.500 -2.390 1.00 31.24 C ATOM 84 OE1 GLU A 6 7.275 9.443 -2.609 1.00 73.01 O ATOM 85 OE2 GLU A 6 6.834 7.426 -1.856 1.00 31.10 O ATOM 0 H GLU A 6 3.201 5.521 -4.386 1.00 54.31 H new ATOM 0 HA GLU A 6 2.984 8.325 -4.602 1.00 43.52 H new ATOM 0 HB2 GLU A 6 3.691 7.016 -2.582 1.00 4.24 H new ATOM 0 HB3 GLU A 6 5.195 6.620 -3.390 1.00 4.24 H new ATOM 0 HG2 GLU A 6 4.961 9.436 -3.562 1.00 34.12 H new ATOM 0 HG3 GLU A 6 4.462 9.021 -1.934 1.00 34.12 H new ATOM 92 N GLU A 7 5.150 6.937 -6.541 1.00 20.04 N ATOM 93 CA GLU A 7 6.127 7.171 -7.597 1.00 61.04 C ATOM 94 C GLU A 7 5.442 7.639 -8.878 1.00 72.01 C ATOM 95 O GLU A 7 5.938 8.526 -9.572 1.00 40.43 O ATOM 96 CB GLU A 7 6.930 5.897 -7.872 1.00 13.54 C ATOM 97 CG GLU A 7 8.331 6.162 -8.396 1.00 1.24 C ATOM 98 CD GLU A 7 9.332 5.119 -7.938 1.00 11.12 C ATOM 99 OE1 GLU A 7 9.472 4.930 -6.711 1.00 53.21 O ATOM 100 OE2 GLU A 7 9.975 4.492 -8.805 1.00 42.21 O ATOM 0 H GLU A 7 4.809 5.977 -6.486 1.00 20.04 H new ATOM 0 HA GLU A 7 6.806 7.955 -7.261 1.00 61.04 H new ATOM 0 HB2 GLU A 7 6.999 5.316 -6.953 1.00 13.54 H new ATOM 0 HB3 GLU A 7 6.390 5.286 -8.596 1.00 13.54 H new ATOM 0 HG2 GLU A 7 8.309 6.185 -9.486 1.00 1.24 H new ATOM 0 HG3 GLU A 7 8.659 7.146 -8.063 1.00 1.24 H new ATOM 107 N PHE A 8 4.298 7.035 -9.185 1.00 4.21 N ATOM 108 CA PHE A 8 3.545 7.388 -10.382 1.00 51.05 C ATOM 109 C PHE A 8 2.901 8.763 -10.234 1.00 53.32 C ATOM 110 O PHE A 8 2.918 9.572 -11.162 1.00 30.23 O ATOM 111 CB PHE A 8 2.470 6.336 -10.662 1.00 55.25 C ATOM 112 CG PHE A 8 2.953 4.924 -10.492 1.00 10.53 C ATOM 113 CD1 PHE A 8 4.270 4.591 -10.764 1.00 51.42 C ATOM 114 CD2 PHE A 8 2.090 3.930 -10.059 1.00 41.32 C ATOM 115 CE1 PHE A 8 4.718 3.293 -10.608 1.00 2.23 C ATOM 116 CE2 PHE A 8 2.533 2.631 -9.900 1.00 73.34 C ATOM 117 CZ PHE A 8 3.848 2.311 -10.176 1.00 50.52 C ATOM 0 H PHE A 8 3.873 6.299 -8.621 1.00 4.21 H new ATOM 0 HA PHE A 8 4.239 7.421 -11.222 1.00 51.05 H new ATOM 0 HB2 PHE A 8 1.625 6.505 -9.994 1.00 55.25 H new ATOM 0 HB3 PHE A 8 2.103 6.466 -11.680 1.00 55.25 H new ATOM 0 HD1 PHE A 8 4.955 5.355 -11.102 1.00 51.42 H new ATOM 0 HD2 PHE A 8 1.060 4.173 -9.844 1.00 41.32 H new ATOM 0 HE1 PHE A 8 5.747 3.047 -10.824 1.00 2.23 H new ATOM 0 HE2 PHE A 8 1.851 1.866 -9.560 1.00 73.34 H new ATOM 0 HZ PHE A 8 4.195 1.296 -10.054 1.00 50.52 H new ATOM 127 N ALA A 9 2.333 9.020 -9.061 1.00 15.54 N ATOM 128 CA ALA A 9 1.684 10.297 -8.789 1.00 51.34 C ATOM 129 C ALA A 9 2.685 11.446 -8.851 1.00 62.24 C ATOM 130 O ALA A 9 2.304 12.608 -8.990 1.00 33.51 O ATOM 131 CB ALA A 9 1.000 10.264 -7.431 1.00 31.33 C ATOM 0 H ALA A 9 2.309 8.361 -8.283 1.00 15.54 H new ATOM 0 HA ALA A 9 0.930 10.464 -9.559 1.00 51.34 H new ATOM 0 HB1 ALA A 9 0.520 11.224 -7.242 1.00 31.33 H new ATOM 0 HB2 ALA A 9 0.249 9.474 -7.421 1.00 31.33 H new ATOM 0 HB3 ALA A 9 1.741 10.070 -6.655 1.00 31.33 H new ATOM 137 N ALA A 10 3.968 11.113 -8.747 1.00 74.11 N ATOM 138 CA ALA A 10 5.024 12.117 -8.793 1.00 35.33 C ATOM 139 C ALA A 10 5.460 12.390 -10.228 1.00 71.41 C ATOM 140 O ALA A 10 5.838 13.510 -10.571 1.00 25.12 O ATOM 141 CB ALA A 10 6.212 11.671 -7.953 1.00 52.24 C ATOM 0 H ALA A 10 4.301 10.156 -8.630 1.00 74.11 H new ATOM 0 HA ALA A 10 4.628 13.045 -8.379 1.00 35.33 H new ATOM 0 HB1 ALA A 10 6.993 12.430 -7.996 1.00 52.24 H new ATOM 0 HB2 ALA A 10 5.896 11.534 -6.919 1.00 52.24 H new ATOM 0 HB3 ALA A 10 6.599 10.729 -8.342 1.00 52.24 H new ATOM 147 N LYS A 11 5.406 11.358 -11.064 1.00 55.43 N ATOM 148 CA LYS A 11 5.794 11.486 -12.464 1.00 5.23 C ATOM 149 C LYS A 11 4.609 11.920 -13.320 1.00 44.24 C ATOM 150 O LYS A 11 4.782 12.559 -14.359 1.00 42.31 O ATOM 151 CB LYS A 11 6.353 10.159 -12.982 1.00 44.22 C ATOM 152 CG LYS A 11 7.606 10.315 -13.827 1.00 53.54 C ATOM 153 CD LYS A 11 7.906 9.053 -14.617 1.00 64.23 C ATOM 154 CE LYS A 11 9.008 8.234 -13.962 1.00 11.24 C ATOM 155 NZ LYS A 11 9.925 7.632 -14.968 1.00 62.41 N ATOM 0 H LYS A 11 5.097 10.424 -10.796 1.00 55.43 H new ATOM 0 HA LYS A 11 6.568 12.251 -12.533 1.00 5.23 H new ATOM 0 HB2 LYS A 11 6.575 9.512 -12.133 1.00 44.22 H new ATOM 0 HB3 LYS A 11 5.587 9.657 -13.573 1.00 44.22 H new ATOM 0 HG2 LYS A 11 7.482 11.153 -14.512 1.00 53.54 H new ATOM 0 HG3 LYS A 11 8.453 10.552 -13.183 1.00 53.54 H new ATOM 0 HD2 LYS A 11 7.002 8.450 -14.698 1.00 64.23 H new ATOM 0 HD3 LYS A 11 8.203 9.319 -15.631 1.00 64.23 H new ATOM 0 HE2 LYS A 11 9.579 8.869 -13.285 1.00 11.24 H new ATOM 0 HE3 LYS A 11 8.563 7.444 -13.358 1.00 11.24 H new ATOM 0 HZ1 LYS A 11 10.661 7.082 -14.481 1.00 62.41 H new ATOM 0 HZ2 LYS A 11 9.385 7.006 -15.599 1.00 62.41 H new ATOM 0 HZ3 LYS A 11 10.370 8.387 -15.528 1.00 62.41 H new ATOM 169 N LEU A 12 3.406 11.571 -12.878 1.00 64.34 N ATOM 170 CA LEU A 12 2.192 11.926 -13.604 1.00 72.21 C ATOM 171 C LEU A 12 1.721 13.326 -13.225 1.00 52.23 C ATOM 172 O LEU A 12 1.021 13.986 -13.994 1.00 35.52 O ATOM 173 CB LEU A 12 1.086 10.908 -13.316 1.00 44.34 C ATOM 174 CG LEU A 12 1.041 9.688 -14.236 1.00 64.14 C ATOM 175 CD1 LEU A 12 0.224 9.989 -15.483 1.00 33.22 C ATOM 176 CD2 LEU A 12 2.450 9.252 -14.613 1.00 32.41 C ATOM 0 H LEU A 12 3.245 11.043 -12.020 1.00 64.34 H new ATOM 0 HA LEU A 12 2.419 11.915 -14.670 1.00 72.21 H new ATOM 0 HB2 LEU A 12 1.199 10.560 -12.289 1.00 44.34 H new ATOM 0 HB3 LEU A 12 0.125 11.419 -13.376 1.00 44.34 H new ATOM 0 HG LEU A 12 0.560 8.870 -13.699 1.00 64.14 H new ATOM 0 HD11 LEU A 12 0.203 9.109 -16.126 1.00 33.22 H new ATOM 0 HD12 LEU A 12 -0.794 10.253 -15.196 1.00 33.22 H new ATOM 0 HD13 LEU A 12 0.676 10.821 -16.022 1.00 33.22 H new ATOM 0 HD21 LEU A 12 2.399 8.382 -15.268 1.00 32.41 H new ATOM 0 HD22 LEU A 12 2.957 10.067 -15.130 1.00 32.41 H new ATOM 0 HD23 LEU A 12 3.005 8.994 -13.711 1.00 32.41 H new ATOM 188 N ASP A 13 2.111 13.775 -12.038 1.00 24.14 N ATOM 189 CA ASP A 13 1.732 15.099 -11.558 1.00 21.23 C ATOM 190 C ASP A 13 2.237 16.185 -12.503 1.00 25.44 C ATOM 191 O ASP A 13 1.769 17.322 -12.463 1.00 42.53 O ATOM 192 CB ASP A 13 2.284 15.332 -10.151 1.00 4.23 C ATOM 193 CG ASP A 13 1.201 15.299 -9.091 1.00 21.24 C ATOM 194 OD1 ASP A 13 0.065 15.724 -9.389 1.00 2.11 O ATOM 195 OD2 ASP A 13 1.489 14.846 -7.963 1.00 11.50 O ATOM 0 H ASP A 13 2.690 13.241 -11.389 1.00 24.14 H new ATOM 0 HA ASP A 13 0.644 15.149 -11.525 1.00 21.23 H new ATOM 0 HB2 ASP A 13 3.031 14.571 -9.926 1.00 4.23 H new ATOM 0 HB3 ASP A 13 2.791 16.296 -10.118 1.00 4.23 H new ATOM 200 N ARG A 14 3.196 15.825 -13.350 1.00 41.20 N ATOM 201 CA ARG A 14 3.767 16.769 -14.303 1.00 54.42 C ATOM 202 C ARG A 14 3.060 16.674 -15.652 1.00 61.13 C ATOM 203 O ARG A 14 3.385 17.405 -16.589 1.00 2.23 O ATOM 204 CB ARG A 14 5.263 16.507 -14.480 1.00 4.24 C ATOM 205 CG ARG A 14 6.143 17.643 -13.984 1.00 3.11 C ATOM 206 CD ARG A 14 7.443 17.123 -13.391 1.00 24.30 C ATOM 207 NE ARG A 14 7.243 16.523 -12.075 1.00 21.43 N ATOM 208 CZ ARG A 14 6.979 17.226 -10.979 1.00 21.40 C ATOM 209 NH1 ARG A 14 6.884 18.547 -11.042 1.00 33.42 N ATOM 210 NH2 ARG A 14 6.809 16.607 -9.817 1.00 44.23 N ATOM 0 H ARG A 14 3.594 14.887 -13.396 1.00 41.20 H new ATOM 0 HA ARG A 14 3.626 17.775 -13.908 1.00 54.42 H new ATOM 0 HB2 ARG A 14 5.529 15.594 -13.948 1.00 4.24 H new ATOM 0 HB3 ARG A 14 5.470 16.332 -15.536 1.00 4.24 H new ATOM 0 HG2 ARG A 14 6.364 18.321 -14.809 1.00 3.11 H new ATOM 0 HG3 ARG A 14 5.604 18.220 -13.233 1.00 3.11 H new ATOM 0 HD2 ARG A 14 7.878 16.384 -14.064 1.00 24.30 H new ATOM 0 HD3 ARG A 14 8.158 17.942 -13.311 1.00 24.30 H new ATOM 0 HE ARG A 14 7.310 15.509 -11.993 1.00 21.43 H new ATOM 0 HH11 ARG A 14 7.014 19.026 -11.933 1.00 33.42 H new ATOM 0 HH12 ARG A 14 6.681 19.084 -10.199 1.00 33.42 H new ATOM 0 HH21 ARG A 14 6.881 15.591 -9.765 1.00 44.23 H new ATOM 0 HH22 ARG A 14 6.606 17.148 -8.976 1.00 44.23 H new ATOM 224 N LEU A 15 2.093 15.768 -15.745 1.00 21.12 N ATOM 225 CA LEU A 15 1.340 15.576 -16.980 1.00 22.35 C ATOM 226 C LEU A 15 -0.140 15.876 -16.767 1.00 31.51 C ATOM 227 O LEU A 15 -0.780 16.518 -17.600 1.00 64.54 O ATOM 228 CB LEU A 15 1.514 14.144 -17.489 1.00 23.24 C ATOM 229 CG LEU A 15 2.785 13.422 -17.039 1.00 60.44 C ATOM 230 CD1 LEU A 15 2.812 12.001 -17.582 1.00 41.34 C ATOM 231 CD2 LEU A 15 4.021 14.189 -17.486 1.00 72.13 C ATOM 0 H LEU A 15 1.812 15.155 -14.980 1.00 21.12 H new ATOM 0 HA LEU A 15 1.729 16.270 -17.726 1.00 22.35 H new ATOM 0 HB2 LEU A 15 0.653 13.558 -17.166 1.00 23.24 H new ATOM 0 HB3 LEU A 15 1.497 14.162 -18.579 1.00 23.24 H new ATOM 0 HG LEU A 15 2.786 13.373 -15.950 1.00 60.44 H new ATOM 0 HD11 LEU A 15 3.723 11.503 -17.252 1.00 41.34 H new ATOM 0 HD12 LEU A 15 1.945 11.454 -17.212 1.00 41.34 H new ATOM 0 HD13 LEU A 15 2.787 12.027 -18.671 1.00 41.34 H new ATOM 0 HD21 LEU A 15 4.916 13.661 -17.157 1.00 72.13 H new ATOM 0 HD22 LEU A 15 4.026 14.269 -18.573 1.00 72.13 H new ATOM 0 HD23 LEU A 15 4.008 15.187 -17.049 1.00 72.13 H new ATOM 243 N ASP A 16 -0.678 15.409 -15.646 1.00 22.45 N ATOM 244 CA ASP A 16 -2.082 15.629 -15.321 1.00 53.52 C ATOM 245 C ASP A 16 -2.974 15.300 -16.515 1.00 2.34 C ATOM 246 O ASP A 16 -4.000 15.944 -16.731 1.00 72.32 O ATOM 247 CB ASP A 16 -2.306 17.079 -14.886 1.00 63.33 C ATOM 248 CG ASP A 16 -1.271 17.548 -13.882 1.00 72.22 C ATOM 249 OD1 ASP A 16 -0.391 18.347 -14.266 1.00 31.22 O ATOM 250 OD2 ASP A 16 -1.342 17.117 -12.713 1.00 32.44 O ATOM 0 H ASP A 16 -0.162 14.875 -14.946 1.00 22.45 H new ATOM 0 HA ASP A 16 -2.347 14.966 -14.498 1.00 53.52 H new ATOM 0 HB2 ASP A 16 -2.278 17.727 -15.762 1.00 63.33 H new ATOM 0 HB3 ASP A 16 -3.300 17.175 -14.450 1.00 63.33 H new ATOM 255 N ALA A 17 -2.574 14.295 -17.286 1.00 63.11 N ATOM 256 CA ALA A 17 -3.337 13.880 -18.457 1.00 24.12 C ATOM 257 C ALA A 17 -4.242 12.697 -18.131 1.00 21.11 C ATOM 258 O ALA A 17 -5.465 12.794 -18.230 1.00 45.21 O ATOM 259 CB ALA A 17 -2.398 13.529 -19.601 1.00 64.23 C ATOM 0 H ALA A 17 -1.726 13.753 -17.121 1.00 63.11 H new ATOM 0 HA ALA A 17 -3.969 14.714 -18.763 1.00 24.12 H new ATOM 0 HB1 ALA A 17 -2.981 13.221 -20.469 1.00 64.23 H new ATOM 0 HB2 ALA A 17 -1.797 14.401 -19.859 1.00 64.23 H new ATOM 0 HB3 ALA A 17 -1.742 12.713 -19.296 1.00 64.23 H new ATOM 265 N GLU A 18 -3.633 11.581 -17.743 1.00 20.23 N ATOM 266 CA GLU A 18 -4.386 10.379 -17.404 1.00 62.31 C ATOM 267 C GLU A 18 -4.805 10.395 -15.937 1.00 33.20 C ATOM 268 O GLU A 18 -5.977 10.202 -15.613 1.00 14.33 O ATOM 269 CB GLU A 18 -3.552 9.129 -17.694 1.00 3.12 C ATOM 270 CG GLU A 18 -4.212 7.838 -17.241 1.00 32.11 C ATOM 271 CD GLU A 18 -5.428 7.481 -18.074 1.00 64.24 C ATOM 272 OE1 GLU A 18 -6.028 6.415 -17.821 1.00 0.43 O ATOM 273 OE2 GLU A 18 -5.778 8.266 -18.980 1.00 31.20 O ATOM 0 H GLU A 18 -2.621 11.484 -17.656 1.00 20.23 H new ATOM 0 HA GLU A 18 -5.285 10.359 -18.020 1.00 62.31 H new ATOM 0 HB2 GLU A 18 -3.359 9.072 -18.765 1.00 3.12 H new ATOM 0 HB3 GLU A 18 -2.585 9.225 -17.200 1.00 3.12 H new ATOM 0 HG2 GLU A 18 -3.488 7.025 -17.296 1.00 32.11 H new ATOM 0 HG3 GLU A 18 -4.507 7.932 -16.196 1.00 32.11 H new ATOM 280 N PHE A 19 -3.839 10.625 -15.054 1.00 13.10 N ATOM 281 CA PHE A 19 -4.107 10.665 -13.621 1.00 61.20 C ATOM 282 C PHE A 19 -5.259 11.616 -13.309 1.00 62.30 C ATOM 283 O PHE A 19 -6.223 11.242 -12.642 1.00 23.14 O ATOM 284 CB PHE A 19 -2.853 11.097 -12.858 1.00 41.23 C ATOM 285 CG PHE A 19 -2.177 9.972 -12.129 1.00 32.34 C ATOM 286 CD1 PHE A 19 -1.799 8.821 -12.801 1.00 21.22 C ATOM 287 CD2 PHE A 19 -1.921 10.064 -10.770 1.00 42.40 C ATOM 288 CE1 PHE A 19 -1.177 7.783 -12.132 1.00 44.24 C ATOM 289 CE2 PHE A 19 -1.298 9.030 -10.096 1.00 55.54 C ATOM 290 CZ PHE A 19 -0.927 7.888 -10.778 1.00 50.01 C ATOM 0 H PHE A 19 -2.864 10.786 -15.305 1.00 13.10 H new ATOM 0 HA PHE A 19 -4.391 9.662 -13.302 1.00 61.20 H new ATOM 0 HB2 PHE A 19 -2.146 11.542 -13.559 1.00 41.23 H new ATOM 0 HB3 PHE A 19 -3.123 11.873 -12.142 1.00 41.23 H new ATOM 0 HD1 PHE A 19 -1.992 8.733 -13.860 1.00 21.22 H new ATOM 0 HD2 PHE A 19 -2.212 10.954 -10.231 1.00 42.40 H new ATOM 0 HE1 PHE A 19 -0.887 6.891 -12.668 1.00 44.24 H new ATOM 0 HE2 PHE A 19 -1.102 9.115 -9.037 1.00 55.54 H new ATOM 0 HZ PHE A 19 -0.442 7.078 -10.253 1.00 50.01 H new ATOM 300 N ALA A 20 -5.150 12.847 -13.797 1.00 12.24 N ATOM 301 CA ALA A 20 -6.182 13.852 -13.572 1.00 32.43 C ATOM 302 C ALA A 20 -7.491 13.454 -14.245 1.00 52.14 C ATOM 303 O ALA A 20 -8.565 13.918 -13.861 1.00 72.43 O ATOM 304 CB ALA A 20 -5.717 15.209 -14.078 1.00 22.02 C ATOM 0 H ALA A 20 -4.358 13.173 -14.351 1.00 12.24 H new ATOM 0 HA ALA A 20 -6.361 13.919 -12.499 1.00 32.43 H new ATOM 0 HB1 ALA A 20 -6.498 15.949 -13.903 1.00 22.02 H new ATOM 0 HB2 ALA A 20 -4.812 15.504 -13.548 1.00 22.02 H new ATOM 0 HB3 ALA A 20 -5.508 15.147 -15.146 1.00 22.02 H new ATOM 310 N LYS A 21 -7.395 12.593 -15.253 1.00 51.40 N ATOM 311 CA LYS A 21 -8.571 12.132 -15.981 1.00 13.31 C ATOM 312 C LYS A 21 -9.210 10.937 -15.281 1.00 60.34 C ATOM 313 O LYS A 21 -10.394 10.656 -15.466 1.00 73.45 O ATOM 314 CB LYS A 21 -8.194 11.755 -17.415 1.00 44.42 C ATOM 315 CG LYS A 21 -8.453 12.862 -18.423 1.00 73.52 C ATOM 316 CD LYS A 21 -8.637 12.306 -19.826 1.00 12.14 C ATOM 317 CE LYS A 21 -10.104 12.049 -20.136 1.00 0.55 C ATOM 318 NZ LYS A 21 -10.648 10.914 -19.341 1.00 33.22 N ATOM 0 H LYS A 21 -6.514 12.200 -15.584 1.00 51.40 H new ATOM 0 HA LYS A 21 -9.295 12.947 -16.005 1.00 13.31 H new ATOM 0 HB2 LYS A 21 -7.138 11.487 -17.446 1.00 44.42 H new ATOM 0 HB3 LYS A 21 -8.756 10.869 -17.709 1.00 44.42 H new ATOM 0 HG2 LYS A 21 -9.343 13.420 -18.132 1.00 73.52 H new ATOM 0 HG3 LYS A 21 -7.620 13.565 -18.415 1.00 73.52 H new ATOM 0 HD2 LYS A 21 -8.228 13.008 -20.553 1.00 12.14 H new ATOM 0 HD3 LYS A 21 -8.075 11.378 -19.927 1.00 12.14 H new ATOM 0 HE2 LYS A 21 -10.682 12.949 -19.927 1.00 0.55 H new ATOM 0 HE3 LYS A 21 -10.219 11.836 -21.199 1.00 0.55 H new ATOM 0 HZ1 LYS A 21 -11.577 10.639 -19.720 1.00 33.22 H new ATOM 0 HZ2 LYS A 21 -9.997 10.105 -19.400 1.00 33.22 H new ATOM 0 HZ3 LYS A 21 -10.751 11.204 -18.348 1.00 33.22 H new ATOM 332 N LYS A 22 -8.419 10.236 -14.476 1.00 3.31 N ATOM 333 CA LYS A 22 -8.907 9.072 -13.746 1.00 3.43 C ATOM 334 C LYS A 22 -9.387 9.466 -12.353 1.00 15.23 C ATOM 335 O LYS A 22 -10.283 8.834 -11.794 1.00 13.33 O ATOM 336 CB LYS A 22 -7.806 8.015 -13.637 1.00 30.32 C ATOM 337 CG LYS A 22 -8.334 6.608 -13.412 1.00 0.42 C ATOM 338 CD LYS A 22 -7.698 5.963 -12.192 1.00 34.31 C ATOM 339 CE LYS A 22 -8.566 4.842 -11.639 1.00 4.10 C ATOM 340 NZ LYS A 22 -8.294 3.544 -12.317 1.00 50.51 N ATOM 0 H LYS A 22 -7.436 10.454 -14.312 1.00 3.31 H new ATOM 0 HA LYS A 22 -9.750 8.655 -14.297 1.00 3.43 H new ATOM 0 HB2 LYS A 22 -7.209 8.029 -14.549 1.00 30.32 H new ATOM 0 HB3 LYS A 22 -7.140 8.280 -12.816 1.00 30.32 H new ATOM 0 HG2 LYS A 22 -9.416 6.640 -13.285 1.00 0.42 H new ATOM 0 HG3 LYS A 22 -8.134 5.998 -14.293 1.00 0.42 H new ATOM 0 HD2 LYS A 22 -6.717 5.568 -12.457 1.00 34.31 H new ATOM 0 HD3 LYS A 22 -7.540 6.717 -11.421 1.00 34.31 H new ATOM 0 HE2 LYS A 22 -8.386 4.738 -10.569 1.00 4.10 H new ATOM 0 HE3 LYS A 22 -9.617 5.102 -11.762 1.00 4.10 H new ATOM 0 HZ1 LYS A 22 -8.905 2.806 -11.912 1.00 50.51 H new ATOM 0 HZ2 LYS A 22 -8.490 3.636 -13.334 1.00 50.51 H new ATOM 0 HZ3 LYS A 22 -7.297 3.282 -12.179 1.00 50.51 H new ATOM 354 N MET A 23 -8.787 10.515 -11.799 1.00 32.40 N ATOM 355 CA MET A 23 -9.157 10.994 -10.472 1.00 60.31 C ATOM 356 C MET A 23 -10.581 11.540 -10.469 1.00 12.12 C ATOM 357 O MET A 23 -11.306 11.402 -9.484 1.00 63.50 O ATOM 358 CB MET A 23 -8.182 12.077 -10.007 1.00 64.05 C ATOM 359 CG MET A 23 -7.636 11.843 -8.608 1.00 44.42 C ATOM 360 SD MET A 23 -8.923 11.875 -7.346 1.00 61.01 S ATOM 361 CE MET A 23 -9.290 10.129 -7.193 1.00 73.44 C ATOM 0 H MET A 23 -8.043 11.049 -12.248 1.00 32.40 H new ATOM 0 HA MET A 23 -9.108 10.151 -9.782 1.00 60.31 H new ATOM 0 HB2 MET A 23 -7.350 12.131 -10.709 1.00 64.05 H new ATOM 0 HB3 MET A 23 -8.685 13.044 -10.035 1.00 64.05 H new ATOM 0 HG2 MET A 23 -7.126 10.880 -8.577 1.00 44.42 H new ATOM 0 HG3 MET A 23 -6.891 12.605 -8.381 1.00 44.42 H new ATOM 0 HE1 MET A 23 -10.271 9.925 -7.621 1.00 73.44 H new ATOM 0 HE2 MET A 23 -8.534 9.550 -7.725 1.00 73.44 H new ATOM 0 HE3 MET A 23 -9.288 9.848 -6.140 1.00 73.44 H new ATOM 371 N GLU A 24 -10.975 12.161 -11.576 1.00 43.24 N ATOM 372 CA GLU A 24 -12.312 12.729 -11.699 1.00 32.02 C ATOM 373 C GLU A 24 -13.311 11.673 -12.165 1.00 2.32 C ATOM 374 O GLU A 24 -14.443 11.621 -11.685 1.00 41.44 O ATOM 375 CB GLU A 24 -12.303 13.905 -12.677 1.00 54.50 C ATOM 376 CG GLU A 24 -12.385 15.262 -11.998 1.00 5.30 C ATOM 377 CD GLU A 24 -13.813 15.717 -11.771 1.00 73.40 C ATOM 378 OE1 GLU A 24 -14.599 15.710 -12.742 1.00 63.21 O ATOM 379 OE2 GLU A 24 -14.146 16.079 -10.623 1.00 71.04 O ATOM 0 H GLU A 24 -10.387 12.284 -12.401 1.00 43.24 H new ATOM 0 HA GLU A 24 -12.619 13.086 -10.716 1.00 32.02 H new ATOM 0 HB2 GLU A 24 -11.393 13.862 -13.275 1.00 54.50 H new ATOM 0 HB3 GLU A 24 -13.142 13.801 -13.365 1.00 54.50 H new ATOM 0 HG2 GLU A 24 -11.866 15.217 -11.041 1.00 5.30 H new ATOM 0 HG3 GLU A 24 -11.865 16.001 -12.608 1.00 5.30 H new ATOM 386 N GLU A 25 -12.882 10.835 -13.103 1.00 20.42 N ATOM 387 CA GLU A 25 -13.739 9.781 -13.635 1.00 1.45 C ATOM 388 C GLU A 25 -13.764 8.576 -12.699 1.00 11.21 C ATOM 389 O GLU A 25 -14.445 7.586 -12.965 1.00 2.13 O ATOM 390 CB GLU A 25 -13.257 9.353 -15.022 1.00 53.54 C ATOM 391 CG GLU A 25 -14.312 8.619 -15.833 1.00 21.00 C ATOM 392 CD GLU A 25 -13.888 7.211 -16.202 1.00 63.24 C ATOM 393 OE1 GLU A 25 -12.756 7.045 -16.704 1.00 1.12 O ATOM 394 OE2 GLU A 25 -14.687 6.275 -15.991 1.00 2.04 O ATOM 0 H GLU A 25 -11.947 10.865 -13.510 1.00 20.42 H new ATOM 0 HA GLU A 25 -14.751 10.177 -13.716 1.00 1.45 H new ATOM 0 HB2 GLU A 25 -12.936 10.236 -15.574 1.00 53.54 H new ATOM 0 HB3 GLU A 25 -12.383 8.711 -14.912 1.00 53.54 H new ATOM 0 HG2 GLU A 25 -15.240 8.577 -15.262 1.00 21.00 H new ATOM 0 HG3 GLU A 25 -14.522 9.181 -16.743 1.00 21.00 H new ATOM 401 N GLN A 26 -13.017 8.669 -11.604 1.00 3.03 N ATOM 402 CA GLN A 26 -12.952 7.586 -10.629 1.00 52.15 C ATOM 403 C GLN A 26 -14.297 7.397 -9.936 1.00 74.00 C ATOM 404 O GLN A 26 -14.677 6.279 -9.592 1.00 31.33 O ATOM 405 CB GLN A 26 -11.865 7.870 -9.591 1.00 73.12 C ATOM 406 CG GLN A 26 -10.752 6.835 -9.578 1.00 21.04 C ATOM 407 CD GLN A 26 -10.442 6.329 -8.182 1.00 51.45 C ATOM 408 OE1 GLN A 26 -11.322 5.828 -7.482 1.00 23.41 O ATOM 409 NE2 GLN A 26 -9.186 6.459 -7.771 1.00 32.12 N ATOM 0 H GLN A 26 -12.448 9.483 -11.369 1.00 3.03 H new ATOM 0 HA GLN A 26 -12.705 6.667 -11.160 1.00 52.15 H new ATOM 0 HB2 GLN A 26 -11.435 8.852 -9.787 1.00 73.12 H new ATOM 0 HB3 GLN A 26 -12.321 7.914 -8.602 1.00 73.12 H new ATOM 0 HG2 GLN A 26 -11.036 5.994 -10.211 1.00 21.04 H new ATOM 0 HG3 GLN A 26 -9.851 7.270 -10.011 1.00 21.04 H new ATOM 0 HE21 GLN A 26 -8.489 6.881 -8.385 1.00 32.12 H new ATOM 0 HE22 GLN A 26 -8.918 6.137 -6.841 1.00 32.12 H new ATOM 418 N ASN A 27 -15.013 8.498 -9.734 1.00 55.30 N ATOM 419 CA ASN A 27 -16.316 8.454 -9.080 1.00 75.55 C ATOM 420 C ASN A 27 -17.261 7.507 -9.815 1.00 12.11 C ATOM 421 O ASN A 27 -18.206 6.977 -9.230 1.00 12.31 O ATOM 422 CB ASN A 27 -16.927 9.855 -9.018 1.00 73.11 C ATOM 423 CG ASN A 27 -17.647 10.114 -7.709 1.00 1.24 C ATOM 424 OD1 ASN A 27 -18.255 9.212 -7.133 1.00 12.14 O ATOM 425 ND2 ASN A 27 -17.581 11.352 -7.232 1.00 43.04 N ATOM 0 H ASN A 27 -14.713 9.432 -10.014 1.00 55.30 H new ATOM 0 HA ASN A 27 -16.173 8.082 -8.065 1.00 75.55 H new ATOM 0 HB2 ASN A 27 -16.140 10.598 -9.150 1.00 73.11 H new ATOM 0 HB3 ASN A 27 -17.626 9.981 -9.845 1.00 73.11 H new ATOM 0 HD21 ASN A 27 -18.046 11.586 -6.355 1.00 43.04 H new ATOM 0 HD22 ASN A 27 -17.066 12.069 -7.743 1.00 43.04 H new ATOM 432 N LYS A 28 -16.999 7.298 -11.101 1.00 10.34 N ATOM 433 CA LYS A 28 -17.823 6.414 -11.916 1.00 54.54 C ATOM 434 C LYS A 28 -17.754 4.979 -11.404 1.00 13.50 C ATOM 435 O LYS A 28 -18.759 4.417 -10.968 1.00 40.10 O ATOM 436 CB LYS A 28 -17.372 6.468 -13.378 1.00 35.32 C ATOM 437 CG LYS A 28 -18.508 6.712 -14.356 1.00 73.13 C ATOM 438 CD LYS A 28 -18.038 7.490 -15.573 1.00 50.54 C ATOM 439 CE LYS A 28 -19.153 8.350 -16.150 1.00 62.54 C ATOM 440 NZ LYS A 28 -18.745 9.776 -16.276 1.00 12.44 N ATOM 0 H LYS A 28 -16.222 7.729 -11.601 1.00 10.34 H new ATOM 0 HA LYS A 28 -18.856 6.755 -11.847 1.00 54.54 H new ATOM 0 HB2 LYS A 28 -16.630 7.258 -13.492 1.00 35.32 H new ATOM 0 HB3 LYS A 28 -16.880 5.529 -13.633 1.00 35.32 H new ATOM 0 HG2 LYS A 28 -18.928 5.757 -14.673 1.00 73.13 H new ATOM 0 HG3 LYS A 28 -19.307 7.262 -13.858 1.00 73.13 H new ATOM 0 HD2 LYS A 28 -17.194 8.123 -15.298 1.00 50.54 H new ATOM 0 HD3 LYS A 28 -17.681 6.796 -16.334 1.00 50.54 H new ATOM 0 HE2 LYS A 28 -19.438 7.966 -17.130 1.00 62.54 H new ATOM 0 HE3 LYS A 28 -20.034 8.279 -15.511 1.00 62.54 H new ATOM 0 HZ1 LYS A 28 -19.532 10.328 -16.673 1.00 12.44 H new ATOM 0 HZ2 LYS A 28 -18.497 10.150 -15.338 1.00 12.44 H new ATOM 0 HZ3 LYS A 28 -17.920 9.847 -16.906 1.00 12.44 H new ATOM 454 N ARG A 29 -16.563 4.393 -11.458 1.00 42.22 N ATOM 455 CA ARG A 29 -16.363 3.024 -10.999 1.00 74.12 C ATOM 456 C ARG A 29 -16.371 2.955 -9.475 1.00 3.02 C ATOM 457 O ARG A 29 -16.616 1.899 -8.892 1.00 32.22 O ATOM 458 CB ARG A 29 -15.044 2.469 -11.539 1.00 42.51 C ATOM 459 CG ARG A 29 -15.184 1.756 -12.874 1.00 4.21 C ATOM 460 CD ARG A 29 -14.203 2.300 -13.902 1.00 15.15 C ATOM 461 NE ARG A 29 -13.753 1.266 -14.829 1.00 53.04 N ATOM 462 CZ ARG A 29 -14.475 0.838 -15.859 1.00 41.13 C ATOM 463 NH1 ARG A 29 -15.674 1.353 -16.092 1.00 74.30 N ATOM 464 NH2 ARG A 29 -13.997 -0.106 -16.659 1.00 64.42 N ATOM 0 H ARG A 29 -15.721 4.845 -11.815 1.00 42.22 H new ATOM 0 HA ARG A 29 -17.186 2.417 -11.377 1.00 74.12 H new ATOM 0 HB2 ARG A 29 -14.332 3.287 -11.647 1.00 42.51 H new ATOM 0 HB3 ARG A 29 -14.625 1.776 -10.809 1.00 42.51 H new ATOM 0 HG2 ARG A 29 -15.014 0.688 -12.737 1.00 4.21 H new ATOM 0 HG3 ARG A 29 -16.203 1.872 -13.245 1.00 4.21 H new ATOM 0 HD2 ARG A 29 -14.675 3.108 -14.461 1.00 15.15 H new ATOM 0 HD3 ARG A 29 -13.341 2.728 -13.390 1.00 15.15 H new ATOM 0 HE ARG A 29 -12.834 0.849 -14.678 1.00 53.04 H new ATOM 0 HH11 ARG A 29 -16.045 2.080 -15.480 1.00 74.30 H new ATOM 0 HH12 ARG A 29 -16.226 1.022 -16.883 1.00 74.30 H new ATOM 0 HH21 ARG A 29 -13.074 -0.504 -16.484 1.00 64.42 H new ATOM 0 HH22 ARG A 29 -14.552 -0.434 -17.449 1.00 64.42 H new ATOM 478 N PHE A 30 -16.100 4.088 -8.835 1.00 65.22 N ATOM 479 CA PHE A 30 -16.073 4.156 -7.379 1.00 13.02 C ATOM 480 C PHE A 30 -17.488 4.237 -6.812 1.00 61.35 C ATOM 481 O PHE A 30 -17.689 4.155 -5.601 1.00 32.04 O ATOM 482 CB PHE A 30 -15.258 5.366 -6.918 1.00 63.03 C ATOM 483 CG PHE A 30 -15.000 5.387 -5.439 1.00 24.02 C ATOM 484 CD1 PHE A 30 -14.027 4.574 -4.880 1.00 61.42 C ATOM 485 CD2 PHE A 30 -15.730 6.220 -4.607 1.00 31.14 C ATOM 486 CE1 PHE A 30 -13.787 4.591 -3.519 1.00 64.22 C ATOM 487 CE2 PHE A 30 -15.494 6.242 -3.245 1.00 61.40 C ATOM 488 CZ PHE A 30 -14.522 5.425 -2.700 1.00 41.24 C ATOM 0 H PHE A 30 -15.896 4.971 -9.302 1.00 65.22 H new ATOM 0 HA PHE A 30 -15.602 3.246 -7.007 1.00 13.02 H new ATOM 0 HB2 PHE A 30 -14.304 5.374 -7.445 1.00 63.03 H new ATOM 0 HB3 PHE A 30 -15.785 6.278 -7.200 1.00 63.03 H new ATOM 0 HD1 PHE A 30 -13.449 3.919 -5.515 1.00 61.42 H new ATOM 0 HD2 PHE A 30 -16.492 6.860 -5.027 1.00 31.14 H new ATOM 0 HE1 PHE A 30 -13.025 3.953 -3.096 1.00 64.22 H new ATOM 0 HE2 PHE A 30 -16.069 6.897 -2.607 1.00 61.40 H new ATOM 0 HZ PHE A 30 -14.338 5.439 -1.636 1.00 41.24 H new ATOM 498 N PHE A 31 -18.465 4.398 -7.698 1.00 51.35 N ATOM 499 CA PHE A 31 -19.861 4.492 -7.288 1.00 73.22 C ATOM 500 C PHE A 31 -20.697 3.402 -7.952 1.00 75.31 C ATOM 501 O PHE A 31 -21.779 3.058 -7.476 1.00 71.03 O ATOM 502 CB PHE A 31 -20.427 5.869 -7.640 1.00 0.44 C ATOM 503 CG PHE A 31 -21.830 6.085 -7.147 1.00 64.25 C ATOM 504 CD1 PHE A 31 -22.127 5.989 -5.798 1.00 3.14 C ATOM 505 CD2 PHE A 31 -22.851 6.382 -8.035 1.00 52.40 C ATOM 506 CE1 PHE A 31 -23.416 6.187 -5.341 1.00 53.13 C ATOM 507 CE2 PHE A 31 -24.142 6.582 -7.585 1.00 35.14 C ATOM 508 CZ PHE A 31 -24.426 6.483 -6.236 1.00 63.23 C ATOM 0 H PHE A 31 -18.316 4.466 -8.705 1.00 51.35 H new ATOM 0 HA PHE A 31 -19.906 4.354 -6.208 1.00 73.22 H new ATOM 0 HB2 PHE A 31 -19.780 6.638 -7.218 1.00 0.44 H new ATOM 0 HB3 PHE A 31 -20.407 5.995 -8.723 1.00 0.44 H new ATOM 0 HD1 PHE A 31 -21.341 5.756 -5.094 1.00 3.14 H new ATOM 0 HD2 PHE A 31 -22.636 6.458 -9.091 1.00 52.40 H new ATOM 0 HE1 PHE A 31 -23.634 6.110 -4.286 1.00 53.13 H new ATOM 0 HE2 PHE A 31 -24.929 6.816 -8.287 1.00 35.14 H new ATOM 0 HZ PHE A 31 -25.435 6.637 -5.882 1.00 63.23 H new ATOM 518 N ALA A 32 -20.188 2.863 -9.055 1.00 20.42 N ATOM 519 CA ALA A 32 -20.886 1.811 -9.784 1.00 20.02 C ATOM 520 C ALA A 32 -20.196 0.464 -9.598 1.00 72.34 C ATOM 521 O ALA A 32 -20.854 -0.565 -9.439 1.00 11.52 O ATOM 522 CB ALA A 32 -20.974 2.162 -11.262 1.00 2.24 C ATOM 0 H ALA A 32 -19.295 3.138 -9.463 1.00 20.42 H new ATOM 0 HA ALA A 32 -21.895 1.731 -9.380 1.00 20.02 H new ATOM 0 HB1 ALA A 32 -21.498 1.368 -11.794 1.00 2.24 H new ATOM 0 HB2 ALA A 32 -21.518 3.099 -11.382 1.00 2.24 H new ATOM 0 HB3 ALA A 32 -19.969 2.271 -11.670 1.00 2.24 H new ATOM 528 N ASP A 33 -18.868 0.476 -9.621 1.00 50.33 N ATOM 529 CA ASP A 33 -18.089 -0.745 -9.455 1.00 62.13 C ATOM 530 C ASP A 33 -17.479 -0.815 -8.059 1.00 4.21 C ATOM 531 O ASP A 33 -16.684 -1.707 -7.760 1.00 51.33 O ATOM 532 CB ASP A 33 -16.985 -0.819 -10.512 1.00 33.02 C ATOM 533 CG ASP A 33 -17.316 -1.791 -11.627 1.00 60.12 C ATOM 534 OD1 ASP A 33 -16.651 -2.845 -11.713 1.00 10.02 O ATOM 535 OD2 ASP A 33 -18.240 -1.498 -12.414 1.00 72.50 O ATOM 0 H ASP A 33 -18.308 1.318 -9.753 1.00 50.33 H new ATOM 0 HA ASP A 33 -18.760 -1.595 -9.582 1.00 62.13 H new ATOM 0 HB2 ASP A 33 -16.823 0.173 -10.934 1.00 33.02 H new ATOM 0 HB3 ASP A 33 -16.051 -1.119 -10.037 1.00 33.02 H new ATOM 540 N LYS A 34 -17.854 0.133 -7.207 1.00 34.34 N ATOM 541 CA LYS A 34 -17.345 0.180 -5.841 1.00 53.11 C ATOM 542 C LYS A 34 -17.456 -1.186 -5.171 1.00 53.24 C ATOM 543 O LYS A 34 -18.541 -1.638 -4.806 1.00 74.40 O ATOM 544 CB LYS A 34 -18.111 1.224 -5.025 1.00 74.22 C ATOM 545 CG LYS A 34 -17.286 1.855 -3.917 1.00 54.01 C ATOM 546 CD LYS A 34 -18.135 2.751 -3.031 1.00 35.32 C ATOM 547 CE LYS A 34 -19.074 1.938 -2.152 1.00 63.52 C ATOM 548 NZ LYS A 34 -20.483 2.012 -2.628 1.00 1.22 N ATOM 0 H LYS A 34 -18.509 0.880 -7.438 1.00 34.34 H new ATOM 0 HA LYS A 34 -16.292 0.460 -5.882 1.00 53.11 H new ATOM 0 HB2 LYS A 34 -18.465 2.008 -5.694 1.00 74.22 H new ATOM 0 HB3 LYS A 34 -18.993 0.756 -4.588 1.00 74.22 H new ATOM 0 HG2 LYS A 34 -16.828 1.072 -3.312 1.00 54.01 H new ATOM 0 HG3 LYS A 34 -16.474 2.437 -4.353 1.00 54.01 H new ATOM 0 HD2 LYS A 34 -17.487 3.364 -2.404 1.00 35.32 H new ATOM 0 HD3 LYS A 34 -18.716 3.433 -3.652 1.00 35.32 H new ATOM 0 HE2 LYS A 34 -18.749 0.898 -2.139 1.00 63.52 H new ATOM 0 HE3 LYS A 34 -19.018 2.302 -1.126 1.00 63.52 H new ATOM 0 HZ1 LYS A 34 -21.019 1.202 -2.255 1.00 1.22 H new ATOM 0 HZ2 LYS A 34 -20.916 2.897 -2.295 1.00 1.22 H new ATOM 0 HZ3 LYS A 34 -20.500 1.989 -3.668 1.00 1.22 H new ATOM 562 N PRO A 35 -16.308 -1.859 -5.004 1.00 73.03 N ATOM 563 CA PRO A 35 -16.251 -3.182 -4.376 1.00 23.04 C ATOM 564 C PRO A 35 -16.550 -3.127 -2.881 1.00 72.44 C ATOM 565 O PRO A 35 -17.694 -3.303 -2.461 1.00 60.11 O ATOM 566 CB PRO A 35 -14.806 -3.626 -4.615 1.00 64.14 C ATOM 567 CG PRO A 35 -14.039 -2.357 -4.764 1.00 31.42 C ATOM 568 CD PRO A 35 -14.978 -1.380 -5.416 1.00 21.24 C ATOM 0 HA PRO A 35 -16.995 -3.862 -4.791 1.00 23.04 H new ATOM 0 HB2 PRO A 35 -14.431 -4.219 -3.781 1.00 64.14 H new ATOM 0 HB3 PRO A 35 -14.725 -4.245 -5.509 1.00 64.14 H new ATOM 0 HG2 PRO A 35 -13.703 -1.988 -3.795 1.00 31.42 H new ATOM 0 HG3 PRO A 35 -13.148 -2.509 -5.374 1.00 31.42 H new ATOM 0 HD2 PRO A 35 -14.796 -0.360 -5.077 1.00 21.24 H new ATOM 0 HD3 PRO A 35 -14.869 -1.380 -6.501 1.00 21.24 H new ATOM 576 N ASP A 36 -15.516 -2.883 -2.084 1.00 52.42 N ATOM 577 CA ASP A 36 -15.669 -2.803 -0.636 1.00 72.21 C ATOM 578 C ASP A 36 -15.579 -1.357 -0.159 1.00 30.14 C ATOM 579 O ASP A 36 -15.170 -1.091 0.971 1.00 33.51 O ATOM 580 CB ASP A 36 -14.602 -3.650 0.058 1.00 25.11 C ATOM 581 CG ASP A 36 -14.463 -5.028 -0.559 1.00 53.35 C ATOM 582 OD1 ASP A 36 -15.310 -5.898 -0.265 1.00 44.00 O ATOM 583 OD2 ASP A 36 -13.510 -5.235 -1.338 1.00 25.40 O ATOM 0 H ASP A 36 -14.563 -2.737 -2.416 1.00 52.42 H new ATOM 0 HA ASP A 36 -16.654 -3.191 -0.377 1.00 72.21 H new ATOM 0 HB2 ASP A 36 -13.643 -3.134 0.007 1.00 25.11 H new ATOM 0 HB3 ASP A 36 -14.853 -3.752 1.114 1.00 25.11 H new ATOM 588 N GLU A 37 -15.963 -0.427 -1.028 1.00 25.12 N ATOM 589 CA GLU A 37 -15.923 0.992 -0.694 1.00 64.14 C ATOM 590 C GLU A 37 -14.495 1.527 -0.764 1.00 12.14 C ATOM 591 O GLU A 37 -14.208 2.464 -1.507 1.00 40.44 O ATOM 592 CB GLU A 37 -16.500 1.227 0.703 1.00 22.41 C ATOM 593 CG GLU A 37 -17.146 2.591 0.873 1.00 35.02 C ATOM 594 CD GLU A 37 -18.497 2.515 1.560 1.00 45.25 C ATOM 595 OE1 GLU A 37 -18.702 1.579 2.361 1.00 53.42 O ATOM 596 OE2 GLU A 37 -19.347 3.391 1.296 1.00 61.54 O ATOM 0 H GLU A 37 -16.305 -0.630 -1.967 1.00 25.12 H new ATOM 0 HA GLU A 37 -16.530 1.528 -1.424 1.00 64.14 H new ATOM 0 HB2 GLU A 37 -17.239 0.455 0.916 1.00 22.41 H new ATOM 0 HB3 GLU A 37 -15.704 1.117 1.439 1.00 22.41 H new ATOM 0 HG2 GLU A 37 -16.483 3.233 1.453 1.00 35.02 H new ATOM 0 HG3 GLU A 37 -17.266 3.057 -0.105 1.00 35.02 H new ATOM 603 N ALA A 38 -13.605 0.924 0.018 1.00 51.42 N ATOM 604 CA ALA A 38 -12.208 1.339 0.045 1.00 62.43 C ATOM 605 C ALA A 38 -11.362 0.479 -0.889 1.00 14.01 C ATOM 606 O ALA A 38 -10.686 0.992 -1.781 1.00 4.44 O ATOM 607 CB ALA A 38 -11.664 1.271 1.464 1.00 35.23 C ATOM 0 H ALA A 38 -13.827 0.147 0.641 1.00 51.42 H new ATOM 0 HA ALA A 38 -12.155 2.370 -0.304 1.00 62.43 H new ATOM 0 HB1 ALA A 38 -10.620 1.584 1.469 1.00 35.23 H new ATOM 0 HB2 ALA A 38 -12.244 1.932 2.108 1.00 35.23 H new ATOM 0 HB3 ALA A 38 -11.738 0.248 1.833 1.00 35.23 H new ATOM 613 N THR A 39 -11.405 -0.833 -0.678 1.00 65.05 N ATOM 614 CA THR A 39 -10.641 -1.764 -1.500 1.00 10.21 C ATOM 615 C THR A 39 -9.176 -1.794 -1.079 1.00 71.14 C ATOM 616 O THR A 39 -8.388 -2.590 -1.593 1.00 54.30 O ATOM 617 CB THR A 39 -10.727 -1.396 -2.993 1.00 72.22 C ATOM 618 OG1 THR A 39 -11.961 -0.721 -3.261 1.00 73.32 O ATOM 619 CG2 THR A 39 -10.624 -2.640 -3.863 1.00 50.34 C ATOM 0 H THR A 39 -11.960 -1.275 0.055 1.00 65.05 H new ATOM 0 HA THR A 39 -11.079 -2.751 -1.351 1.00 10.21 H new ATOM 0 HB THR A 39 -9.893 -0.735 -3.231 1.00 72.22 H new ATOM 0 HG1 THR A 39 -12.007 -0.489 -4.212 1.00 73.32 H new ATOM 0 HG21 THR A 39 -10.687 -2.356 -4.913 1.00 50.34 H new ATOM 0 HG22 THR A 39 -9.671 -3.136 -3.678 1.00 50.34 H new ATOM 0 HG23 THR A 39 -11.440 -3.321 -3.622 1.00 50.34 H new ATOM 627 N LEU A 40 -8.816 -0.924 -0.142 1.00 74.02 N ATOM 628 CA LEU A 40 -7.445 -0.852 0.349 1.00 44.44 C ATOM 629 C LEU A 40 -7.314 0.197 1.449 1.00 74.13 C ATOM 630 O LEU A 40 -8.313 0.658 2.002 1.00 62.11 O ATOM 631 CB LEU A 40 -6.488 -0.524 -0.799 1.00 60.44 C ATOM 632 CG LEU A 40 -6.408 0.947 -1.208 1.00 74.11 C ATOM 633 CD1 LEU A 40 -5.707 1.091 -2.550 1.00 4.15 C ATOM 634 CD2 LEU A 40 -7.800 1.561 -1.263 1.00 44.12 C ATOM 0 H LEU A 40 -9.455 -0.258 0.293 1.00 74.02 H new ATOM 0 HA LEU A 40 -7.184 -1.824 0.766 1.00 44.44 H new ATOM 0 HB2 LEU A 40 -5.489 -0.857 -0.519 1.00 60.44 H new ATOM 0 HB3 LEU A 40 -6.785 -1.107 -1.671 1.00 60.44 H new ATOM 0 HG LEU A 40 -5.825 1.482 -0.458 1.00 74.11 H new ATOM 0 HD11 LEU A 40 -5.660 2.145 -2.824 1.00 4.15 H new ATOM 0 HD12 LEU A 40 -4.696 0.689 -2.478 1.00 4.15 H new ATOM 0 HD13 LEU A 40 -6.262 0.542 -3.311 1.00 4.15 H new ATOM 0 HD21 LEU A 40 -7.724 2.608 -1.556 1.00 44.12 H new ATOM 0 HD22 LEU A 40 -8.406 1.023 -1.992 1.00 44.12 H new ATOM 0 HD23 LEU A 40 -8.267 1.492 -0.281 1.00 44.12 H new ATOM 646 N SER A 41 -6.077 0.571 1.759 1.00 33.24 N ATOM 647 CA SER A 41 -5.816 1.564 2.794 1.00 12.25 C ATOM 648 C SER A 41 -5.814 2.972 2.208 1.00 52.53 C ATOM 649 O SER A 41 -5.801 3.166 0.992 1.00 45.11 O ATOM 650 CB SER A 41 -4.476 1.281 3.476 1.00 41.41 C ATOM 651 OG SER A 41 -3.917 0.064 3.015 1.00 24.54 O ATOM 0 H SER A 41 -5.240 0.201 1.308 1.00 33.24 H new ATOM 0 HA SER A 41 -6.613 1.499 3.534 1.00 12.25 H new ATOM 0 HB2 SER A 41 -3.784 2.100 3.280 1.00 41.41 H new ATOM 0 HB3 SER A 41 -4.617 1.234 4.556 1.00 41.41 H new ATOM 0 HG SER A 41 -3.060 -0.094 3.464 1.00 24.54 H new ATOM 657 N PRO A 42 -5.828 3.981 3.092 1.00 72.00 N ATOM 658 CA PRO A 42 -5.828 5.390 2.686 1.00 22.42 C ATOM 659 C PRO A 42 -4.498 5.816 2.073 1.00 33.10 C ATOM 660 O PRO A 42 -4.273 6.999 1.819 1.00 73.53 O ATOM 661 CB PRO A 42 -6.075 6.137 3.999 1.00 73.10 C ATOM 662 CG PRO A 42 -5.578 5.216 5.059 1.00 73.51 C ATOM 663 CD PRO A 42 -5.845 3.824 4.556 1.00 22.30 C ATOM 0 HA PRO A 42 -6.574 5.593 1.917 1.00 22.42 H new ATOM 0 HB2 PRO A 42 -5.543 7.088 4.019 1.00 73.10 H new ATOM 0 HB3 PRO A 42 -7.133 6.361 4.134 1.00 73.10 H new ATOM 0 HG2 PRO A 42 -4.514 5.368 5.241 1.00 73.51 H new ATOM 0 HG3 PRO A 42 -6.091 5.395 6.004 1.00 73.51 H new ATOM 0 HD2 PRO A 42 -5.083 3.122 4.894 1.00 22.30 H new ATOM 0 HD3 PRO A 42 -6.805 3.447 4.909 1.00 22.30 H new ATOM 671 N GLU A 43 -3.622 4.845 1.838 1.00 63.40 N ATOM 672 CA GLU A 43 -2.314 5.121 1.255 1.00 52.24 C ATOM 673 C GLU A 43 -2.457 5.846 -0.081 1.00 24.31 C ATOM 674 O GLU A 43 -1.649 6.711 -0.419 1.00 30.51 O ATOM 675 CB GLU A 43 -1.532 3.821 1.061 1.00 61.42 C ATOM 676 CG GLU A 43 -1.564 3.298 -0.365 1.00 70.34 C ATOM 677 CD GLU A 43 -0.852 1.967 -0.515 1.00 42.43 C ATOM 678 OE1 GLU A 43 -0.486 1.371 0.519 1.00 1.34 O ATOM 679 OE2 GLU A 43 -0.660 1.523 -1.666 1.00 71.32 O ATOM 0 H GLU A 43 -3.794 3.861 2.042 1.00 63.40 H new ATOM 0 HA GLU A 43 -1.767 5.766 1.943 1.00 52.24 H new ATOM 0 HB2 GLU A 43 -0.495 3.983 1.356 1.00 61.42 H new ATOM 0 HB3 GLU A 43 -1.938 3.060 1.727 1.00 61.42 H new ATOM 0 HG2 GLU A 43 -2.600 3.189 -0.685 1.00 70.34 H new ATOM 0 HG3 GLU A 43 -1.101 4.030 -1.027 1.00 70.34 H new ATOM 686 N MET A 44 -3.489 5.485 -0.836 1.00 13.12 N ATOM 687 CA MET A 44 -3.738 6.101 -2.134 1.00 73.21 C ATOM 688 C MET A 44 -4.628 7.331 -1.990 1.00 51.44 C ATOM 689 O MET A 44 -4.598 8.233 -2.828 1.00 54.22 O ATOM 690 CB MET A 44 -4.390 5.094 -3.084 1.00 31.35 C ATOM 691 CG MET A 44 -5.772 4.645 -2.638 1.00 33.02 C ATOM 692 SD MET A 44 -6.758 3.981 -3.994 1.00 23.31 S ATOM 693 CE MET A 44 -8.261 4.939 -3.821 1.00 31.22 C ATOM 0 H MET A 44 -4.166 4.769 -0.572 1.00 13.12 H new ATOM 0 HA MET A 44 -2.780 6.414 -2.549 1.00 73.21 H new ATOM 0 HB2 MET A 44 -4.464 5.538 -4.076 1.00 31.35 H new ATOM 0 HB3 MET A 44 -3.744 4.220 -3.173 1.00 31.35 H new ATOM 0 HG2 MET A 44 -5.670 3.886 -1.862 1.00 33.02 H new ATOM 0 HG3 MET A 44 -6.297 5.489 -2.191 1.00 33.02 H new ATOM 0 HE1 MET A 44 -8.972 4.642 -4.592 1.00 31.22 H new ATOM 0 HE2 MET A 44 -8.696 4.760 -2.838 1.00 31.22 H new ATOM 0 HE3 MET A 44 -8.031 5.999 -3.928 1.00 31.22 H new ATOM 703 N LYS A 45 -5.420 7.362 -0.924 1.00 4.43 N ATOM 704 CA LYS A 45 -6.318 8.482 -0.669 1.00 42.40 C ATOM 705 C LYS A 45 -5.558 9.667 -0.081 1.00 24.45 C ATOM 706 O LYS A 45 -6.015 10.807 -0.154 1.00 24.33 O ATOM 707 CB LYS A 45 -7.438 8.058 0.283 1.00 13.01 C ATOM 708 CG LYS A 45 -8.153 6.789 -0.146 1.00 72.35 C ATOM 709 CD LYS A 45 -9.649 6.879 0.104 1.00 52.43 C ATOM 710 CE LYS A 45 -9.980 6.694 1.577 1.00 74.35 C ATOM 711 NZ LYS A 45 -10.570 5.354 1.848 1.00 74.43 N ATOM 0 H LYS A 45 -5.458 6.623 -0.222 1.00 4.43 H new ATOM 0 HA LYS A 45 -6.754 8.789 -1.620 1.00 42.40 H new ATOM 0 HB2 LYS A 45 -7.020 7.911 1.279 1.00 13.01 H new ATOM 0 HB3 LYS A 45 -8.165 8.867 0.358 1.00 13.01 H new ATOM 0 HG2 LYS A 45 -7.971 6.608 -1.205 1.00 72.35 H new ATOM 0 HG3 LYS A 45 -7.743 5.938 0.398 1.00 72.35 H new ATOM 0 HD2 LYS A 45 -10.018 7.847 -0.234 1.00 52.43 H new ATOM 0 HD3 LYS A 45 -10.164 6.119 -0.484 1.00 52.43 H new ATOM 0 HE2 LYS A 45 -9.075 6.819 2.171 1.00 74.35 H new ATOM 0 HE3 LYS A 45 -10.678 7.469 1.893 1.00 74.35 H new ATOM 0 HZ1 LYS A 45 -10.782 5.267 2.862 1.00 74.43 H new ATOM 0 HZ2 LYS A 45 -11.447 5.244 1.300 1.00 74.43 H new ATOM 0 HZ3 LYS A 45 -9.894 4.614 1.571 1.00 74.43 H new ATOM 725 N GLU A 46 -4.395 9.388 0.501 1.00 31.11 N ATOM 726 CA GLU A 46 -3.572 10.432 1.101 1.00 32.50 C ATOM 727 C GLU A 46 -2.692 11.102 0.050 1.00 21.21 C ATOM 728 O GLU A 46 -2.406 12.297 0.134 1.00 71.33 O ATOM 729 CB GLU A 46 -2.701 9.848 2.215 1.00 62.41 C ATOM 730 CG GLU A 46 -2.175 10.891 3.187 1.00 74.32 C ATOM 731 CD GLU A 46 -0.876 10.471 3.847 1.00 51.33 C ATOM 732 OE1 GLU A 46 0.005 9.942 3.137 1.00 30.02 O ATOM 733 OE2 GLU A 46 -0.740 10.672 5.072 1.00 74.24 O ATOM 0 H GLU A 46 -4.002 8.449 0.570 1.00 31.11 H new ATOM 0 HA GLU A 46 -4.237 11.184 1.526 1.00 32.50 H new ATOM 0 HB2 GLU A 46 -3.280 9.108 2.768 1.00 62.41 H new ATOM 0 HB3 GLU A 46 -1.857 9.323 1.767 1.00 62.41 H new ATOM 0 HG2 GLU A 46 -2.022 11.831 2.657 1.00 74.32 H new ATOM 0 HG3 GLU A 46 -2.925 11.077 3.956 1.00 74.32 H new ATOM 740 N HIS A 47 -2.264 10.323 -0.939 1.00 54.31 N ATOM 741 CA HIS A 47 -1.416 10.841 -2.007 1.00 74.31 C ATOM 742 C HIS A 47 -2.257 11.492 -3.101 1.00 51.10 C ATOM 743 O HIS A 47 -1.942 12.585 -3.572 1.00 1.21 O ATOM 744 CB HIS A 47 -0.567 9.717 -2.602 1.00 4.33 C ATOM 745 CG HIS A 47 0.725 10.192 -3.194 1.00 14.23 C ATOM 746 ND1 HIS A 47 0.789 11.010 -4.302 1.00 14.31 N ATOM 747 CD2 HIS A 47 2.006 9.961 -2.824 1.00 61.23 C ATOM 748 CE1 HIS A 47 2.054 11.260 -4.589 1.00 55.25 C ATOM 749 NE2 HIS A 47 2.813 10.635 -3.707 1.00 53.45 N ATOM 0 H HIS A 47 -2.490 9.332 -1.023 1.00 54.31 H new ATOM 0 HA HIS A 47 -0.758 11.598 -1.580 1.00 74.31 H new ATOM 0 HB2 HIS A 47 -0.353 8.984 -1.824 1.00 4.33 H new ATOM 0 HB3 HIS A 47 -1.144 9.206 -3.372 1.00 4.33 H new ATOM 0 HD1 HIS A 47 -0.015 11.366 -4.819 1.00 14.31 H new ATOM 0 HD2 HIS A 47 2.333 9.359 -1.989 1.00 61.23 H new ATOM 0 HE1 HIS A 47 2.408 11.872 -5.406 1.00 55.25 H new ATOM 757 N TYR A 48 -3.327 10.814 -3.501 1.00 62.31 N ATOM 758 CA TYR A 48 -4.211 11.325 -4.542 1.00 21.02 C ATOM 759 C TYR A 48 -4.703 12.728 -4.198 1.00 30.50 C ATOM 760 O TYR A 48 -5.055 13.507 -5.082 1.00 52.05 O ATOM 761 CB TYR A 48 -5.404 10.387 -4.733 1.00 65.43 C ATOM 762 CG TYR A 48 -5.122 9.232 -5.668 1.00 25.12 C ATOM 763 CD1 TYR A 48 -6.152 8.597 -6.349 1.00 74.44 C ATOM 764 CD2 TYR A 48 -3.825 8.775 -5.869 1.00 2.44 C ATOM 765 CE1 TYR A 48 -5.900 7.541 -7.204 1.00 22.23 C ATOM 766 CE2 TYR A 48 -3.563 7.721 -6.722 1.00 44.31 C ATOM 767 CZ TYR A 48 -4.603 7.107 -7.387 1.00 53.21 C ATOM 768 OH TYR A 48 -4.346 6.056 -8.237 1.00 75.10 O ATOM 0 H TYR A 48 -3.603 9.909 -3.120 1.00 62.31 H new ATOM 0 HA TYR A 48 -3.645 11.376 -5.472 1.00 21.02 H new ATOM 0 HB2 TYR A 48 -5.705 9.993 -3.762 1.00 65.43 H new ATOM 0 HB3 TYR A 48 -6.247 10.959 -5.120 1.00 65.43 H new ATOM 0 HD1 TYR A 48 -7.168 8.934 -6.208 1.00 74.44 H new ATOM 0 HD2 TYR A 48 -3.008 9.252 -5.349 1.00 2.44 H new ATOM 0 HE1 TYR A 48 -6.713 7.058 -7.726 1.00 22.23 H new ATOM 0 HE2 TYR A 48 -2.549 7.380 -6.867 1.00 44.31 H new ATOM 0 HH TYR A 48 -3.383 5.877 -8.254 1.00 75.10 H new ATOM 778 N GLU A 49 -4.723 13.040 -2.906 1.00 53.41 N ATOM 779 CA GLU A 49 -5.172 14.349 -2.445 1.00 32.23 C ATOM 780 C GLU A 49 -4.260 15.453 -2.970 1.00 41.51 C ATOM 781 O GLU A 49 -4.636 16.626 -2.996 1.00 20.41 O ATOM 782 CB GLU A 49 -5.212 14.389 -0.916 1.00 3.04 C ATOM 783 CG GLU A 49 -6.616 14.309 -0.341 1.00 1.24 C ATOM 784 CD GLU A 49 -6.821 15.250 0.830 1.00 13.53 C ATOM 785 OE1 GLU A 49 -7.204 16.416 0.594 1.00 60.41 O ATOM 786 OE2 GLU A 49 -6.599 14.823 1.982 1.00 33.22 O ATOM 0 H GLU A 49 -4.434 12.406 -2.161 1.00 53.41 H new ATOM 0 HA GLU A 49 -6.177 14.517 -2.832 1.00 32.23 H new ATOM 0 HB2 GLU A 49 -4.620 13.562 -0.524 1.00 3.04 H new ATOM 0 HB3 GLU A 49 -4.740 15.310 -0.573 1.00 3.04 H new ATOM 0 HG2 GLU A 49 -7.339 14.544 -1.122 1.00 1.24 H new ATOM 0 HG3 GLU A 49 -6.815 13.287 -0.020 1.00 1.24 H new ATOM 793 N LYS A 50 -3.058 15.071 -3.388 1.00 0.11 N ATOM 794 CA LYS A 50 -2.090 16.027 -3.914 1.00 34.13 C ATOM 795 C LYS A 50 -2.361 16.321 -5.386 1.00 24.41 C ATOM 796 O LYS A 50 -1.955 17.360 -5.907 1.00 23.25 O ATOM 797 CB LYS A 50 -0.668 15.490 -3.743 1.00 24.14 C ATOM 798 CG LYS A 50 0.323 16.536 -3.262 1.00 65.20 C ATOM 799 CD LYS A 50 1.734 15.975 -3.189 1.00 10.41 C ATOM 800 CE LYS A 50 2.774 17.085 -3.166 1.00 41.02 C ATOM 801 NZ LYS A 50 2.853 17.798 -4.471 1.00 61.02 N ATOM 0 H LYS A 50 -2.730 14.105 -3.373 1.00 0.11 H new ATOM 0 HA LYS A 50 -2.191 16.955 -3.352 1.00 34.13 H new ATOM 0 HB2 LYS A 50 -0.684 14.663 -3.033 1.00 24.14 H new ATOM 0 HB3 LYS A 50 -0.324 15.086 -4.695 1.00 24.14 H new ATOM 0 HG2 LYS A 50 0.305 17.392 -3.936 1.00 65.20 H new ATOM 0 HG3 LYS A 50 0.023 16.898 -2.279 1.00 65.20 H new ATOM 0 HD2 LYS A 50 1.837 15.360 -2.295 1.00 10.41 H new ATOM 0 HD3 LYS A 50 1.913 15.325 -4.045 1.00 10.41 H new ATOM 0 HE2 LYS A 50 2.528 17.797 -2.378 1.00 41.02 H new ATOM 0 HE3 LYS A 50 3.749 16.664 -2.923 1.00 41.02 H new ATOM 0 HZ1 LYS A 50 3.771 18.281 -4.548 1.00 61.02 H new ATOM 0 HZ2 LYS A 50 2.756 17.113 -5.247 1.00 61.02 H new ATOM 0 HZ3 LYS A 50 2.087 18.499 -4.530 1.00 61.02 H new ATOM 815 N PHE A 51 -3.049 15.399 -6.052 1.00 14.54 N ATOM 816 CA PHE A 51 -3.374 15.560 -7.464 1.00 53.31 C ATOM 817 C PHE A 51 -4.641 16.392 -7.639 1.00 53.35 C ATOM 818 O PHE A 51 -4.697 17.286 -8.484 1.00 20.24 O ATOM 819 CB PHE A 51 -3.553 14.193 -8.127 1.00 63.11 C ATOM 820 CG PHE A 51 -2.850 14.071 -9.449 1.00 1.40 C ATOM 821 CD1 PHE A 51 -1.643 13.397 -9.548 1.00 13.53 C ATOM 822 CD2 PHE A 51 -3.396 14.632 -10.593 1.00 24.43 C ATOM 823 CE1 PHE A 51 -0.994 13.283 -10.763 1.00 11.43 C ATOM 824 CE2 PHE A 51 -2.751 14.520 -11.810 1.00 53.43 C ATOM 825 CZ PHE A 51 -1.549 13.847 -11.895 1.00 65.32 C ATOM 0 H PHE A 51 -3.392 14.533 -5.636 1.00 14.54 H new ATOM 0 HA PHE A 51 -2.547 16.084 -7.944 1.00 53.31 H new ATOM 0 HB2 PHE A 51 -3.181 13.420 -7.454 1.00 63.11 H new ATOM 0 HB3 PHE A 51 -4.617 14.005 -8.272 1.00 63.11 H new ATOM 0 HD1 PHE A 51 -1.204 12.956 -8.665 1.00 13.53 H new ATOM 0 HD2 PHE A 51 -4.335 15.162 -10.533 1.00 24.43 H new ATOM 0 HE1 PHE A 51 -0.055 12.754 -10.827 1.00 11.43 H new ATOM 0 HE2 PHE A 51 -3.188 14.959 -12.695 1.00 53.43 H new ATOM 0 HZ PHE A 51 -1.043 13.762 -12.845 1.00 65.32 H new ATOM 835 N GLU A 52 -5.656 16.090 -6.836 1.00 13.42 N ATOM 836 CA GLU A 52 -6.923 16.809 -6.903 1.00 51.42 C ATOM 837 C GLU A 52 -6.722 18.294 -6.613 1.00 53.03 C ATOM 838 O GLU A 52 -7.261 19.153 -7.311 1.00 41.43 O ATOM 839 CB GLU A 52 -7.925 16.216 -5.911 1.00 34.20 C ATOM 840 CG GLU A 52 -7.384 16.097 -4.496 1.00 43.03 C ATOM 841 CD GLU A 52 -8.365 15.433 -3.550 1.00 0.32 C ATOM 842 OE1 GLU A 52 -8.725 16.062 -2.533 1.00 12.52 O ATOM 843 OE2 GLU A 52 -8.772 14.286 -3.825 1.00 73.43 O ATOM 0 H GLU A 52 -5.626 15.353 -6.132 1.00 13.42 H new ATOM 0 HA GLU A 52 -7.318 16.704 -7.914 1.00 51.42 H new ATOM 0 HB2 GLU A 52 -8.821 16.837 -5.897 1.00 34.20 H new ATOM 0 HB3 GLU A 52 -8.227 15.228 -6.260 1.00 34.20 H new ATOM 0 HG2 GLU A 52 -6.457 15.524 -4.513 1.00 43.03 H new ATOM 0 HG3 GLU A 52 -7.138 17.090 -4.120 1.00 43.03 H new ATOM 850 N LYS A 53 -5.943 18.588 -5.578 1.00 15.42 N ATOM 851 CA LYS A 53 -5.669 19.968 -5.194 1.00 14.12 C ATOM 852 C LYS A 53 -5.145 20.769 -6.381 1.00 4.30 C ATOM 853 O LYS A 53 -5.270 21.993 -6.420 1.00 30.22 O ATOM 854 CB LYS A 53 -4.654 20.008 -4.049 1.00 55.51 C ATOM 855 CG LYS A 53 -3.289 19.461 -4.427 1.00 50.12 C ATOM 856 CD LYS A 53 -2.202 19.988 -3.505 1.00 72.11 C ATOM 857 CE LYS A 53 -1.061 20.615 -4.290 1.00 44.15 C ATOM 858 NZ LYS A 53 -0.171 21.431 -3.419 1.00 44.21 N ATOM 0 H LYS A 53 -5.490 17.889 -4.990 1.00 15.42 H new ATOM 0 HA LYS A 53 -6.603 20.418 -4.859 1.00 14.12 H new ATOM 0 HB2 LYS A 53 -4.542 21.038 -3.710 1.00 55.51 H new ATOM 0 HB3 LYS A 53 -5.045 19.436 -3.208 1.00 55.51 H new ATOM 0 HG2 LYS A 53 -3.308 18.372 -4.384 1.00 50.12 H new ATOM 0 HG3 LYS A 53 -3.059 19.735 -5.457 1.00 50.12 H new ATOM 0 HD2 LYS A 53 -2.627 20.727 -2.825 1.00 72.11 H new ATOM 0 HD3 LYS A 53 -1.818 19.174 -2.891 1.00 72.11 H new ATOM 0 HE2 LYS A 53 -0.478 19.830 -4.772 1.00 44.15 H new ATOM 0 HE3 LYS A 53 -1.468 21.243 -5.083 1.00 44.15 H new ATOM 0 HZ1 LYS A 53 0.594 21.841 -3.992 1.00 44.21 H new ATOM 0 HZ2 LYS A 53 -0.722 22.195 -2.979 1.00 44.21 H new ATOM 0 HZ3 LYS A 53 0.237 20.827 -2.677 1.00 44.21 H new ATOM 872 N MET A 54 -4.558 20.071 -7.348 1.00 31.24 N ATOM 873 CA MET A 54 -4.017 20.718 -8.537 1.00 71.02 C ATOM 874 C MET A 54 -5.108 20.936 -9.581 1.00 41.01 C ATOM 875 O MET A 54 -5.066 21.902 -10.343 1.00 11.50 O ATOM 876 CB MET A 54 -2.886 19.876 -9.132 1.00 55.52 C ATOM 877 CG MET A 54 -1.522 20.539 -9.038 1.00 24.10 C ATOM 878 SD MET A 54 -0.215 19.548 -9.788 1.00 53.02 S ATOM 879 CE MET A 54 1.012 20.807 -10.128 1.00 2.31 C ATOM 0 H MET A 54 -4.445 19.057 -7.331 1.00 31.24 H new ATOM 0 HA MET A 54 -3.621 21.690 -8.243 1.00 71.02 H new ATOM 0 HB2 MET A 54 -2.850 18.915 -8.618 1.00 55.52 H new ATOM 0 HB3 MET A 54 -3.109 19.670 -10.179 1.00 55.52 H new ATOM 0 HG2 MET A 54 -1.561 21.512 -9.527 1.00 24.10 H new ATOM 0 HG3 MET A 54 -1.281 20.718 -7.990 1.00 24.10 H new ATOM 0 HE1 MET A 54 1.884 20.349 -10.595 1.00 2.31 H new ATOM 0 HE2 MET A 54 0.590 21.553 -10.801 1.00 2.31 H new ATOM 0 HE3 MET A 54 1.310 21.286 -9.195 1.00 2.31 H new ATOM 889 N ILE A 55 -6.082 20.033 -9.610 1.00 63.42 N ATOM 890 CA ILE A 55 -7.183 20.128 -10.560 1.00 71.23 C ATOM 891 C ILE A 55 -7.829 21.508 -10.516 1.00 54.32 C ATOM 892 O ILE A 55 -7.824 22.238 -11.507 1.00 53.01 O ATOM 893 CB ILE A 55 -8.259 19.061 -10.284 1.00 23.31 C ATOM 894 CG1 ILE A 55 -7.652 17.659 -10.374 1.00 34.23 C ATOM 895 CG2 ILE A 55 -9.414 19.208 -11.263 1.00 32.44 C ATOM 896 CD1 ILE A 55 -8.649 16.551 -10.112 1.00 10.52 C ATOM 0 H ILE A 55 -6.131 19.227 -8.986 1.00 63.42 H new ATOM 0 HA ILE A 55 -6.761 19.958 -11.550 1.00 71.23 H new ATOM 0 HB ILE A 55 -8.644 19.206 -9.275 1.00 23.31 H new ATOM 0 HG12 ILE A 55 -7.221 17.522 -11.365 1.00 34.23 H new ATOM 0 HG13 ILE A 55 -6.835 17.579 -9.657 1.00 34.23 H new ATOM 0 HG21 ILE A 55 -10.166 18.447 -11.055 1.00 32.44 H new ATOM 0 HG22 ILE A 55 -9.859 20.197 -11.155 1.00 32.44 H new ATOM 0 HG23 ILE A 55 -9.046 19.085 -12.281 1.00 32.44 H new ATOM 0 HD11 ILE A 55 -8.149 15.586 -10.192 1.00 10.52 H new ATOM 0 HD12 ILE A 55 -9.063 16.663 -9.110 1.00 10.52 H new ATOM 0 HD13 ILE A 55 -9.454 16.605 -10.845 1.00 10.52 H new ATOM 908 N GLN A 56 -8.383 21.860 -9.360 1.00 72.32 N ATOM 909 CA GLN A 56 -9.033 23.154 -9.187 1.00 25.31 C ATOM 910 C GLN A 56 -8.011 24.285 -9.229 1.00 41.42 C ATOM 911 O GLN A 56 -8.371 25.453 -9.375 1.00 63.01 O ATOM 912 CB GLN A 56 -9.798 23.191 -7.863 1.00 62.20 C ATOM 913 CG GLN A 56 -10.873 22.122 -7.752 1.00 12.12 C ATOM 914 CD GLN A 56 -11.366 21.936 -6.330 1.00 62.53 C ATOM 915 OE1 GLN A 56 -11.026 20.955 -5.667 1.00 11.30 O ATOM 916 NE2 GLN A 56 -12.171 22.878 -5.854 1.00 72.21 N ATOM 0 H GLN A 56 -8.395 21.268 -8.530 1.00 72.32 H new ATOM 0 HA GLN A 56 -9.736 23.293 -10.008 1.00 25.31 H new ATOM 0 HB2 GLN A 56 -9.092 23.071 -7.041 1.00 62.20 H new ATOM 0 HB3 GLN A 56 -10.259 24.172 -7.747 1.00 62.20 H new ATOM 0 HG2 GLN A 56 -11.714 22.390 -8.392 1.00 12.12 H new ATOM 0 HG3 GLN A 56 -10.479 21.176 -8.123 1.00 12.12 H new ATOM 0 HE21 GLN A 56 -12.427 23.674 -6.439 1.00 72.21 H new ATOM 0 HE22 GLN A 56 -12.534 22.806 -4.903 1.00 72.21 H new ATOM 925 N GLU A 57 -6.736 23.931 -9.100 1.00 73.42 N ATOM 926 CA GLU A 57 -5.663 24.918 -9.123 1.00 33.35 C ATOM 927 C GLU A 57 -5.366 25.366 -10.551 1.00 22.33 C ATOM 928 O GLU A 57 -5.090 26.540 -10.800 1.00 73.34 O ATOM 929 CB GLU A 57 -4.398 24.343 -8.483 1.00 21.23 C ATOM 930 CG GLU A 57 -3.848 25.194 -7.350 1.00 62.25 C ATOM 931 CD GLU A 57 -3.013 26.358 -7.848 1.00 60.11 C ATOM 932 OE1 GLU A 57 -3.586 27.445 -8.072 1.00 61.24 O ATOM 933 OE2 GLU A 57 -1.788 26.182 -8.013 1.00 41.34 O ATOM 0 H GLU A 57 -6.421 22.968 -8.979 1.00 73.42 H new ATOM 0 HA GLU A 57 -5.989 25.786 -8.550 1.00 33.35 H new ATOM 0 HB2 GLU A 57 -4.615 23.344 -8.104 1.00 21.23 H new ATOM 0 HB3 GLU A 57 -3.631 24.234 -9.249 1.00 21.23 H new ATOM 0 HG2 GLU A 57 -4.676 25.575 -6.752 1.00 62.25 H new ATOM 0 HG3 GLU A 57 -3.241 24.570 -6.694 1.00 62.25 H new ATOM 940 N HIS A 58 -5.423 24.422 -11.485 1.00 21.32 N ATOM 941 CA HIS A 58 -5.160 24.718 -12.888 1.00 42.25 C ATOM 942 C HIS A 58 -5.221 23.449 -13.733 1.00 22.34 C ATOM 943 O HIS A 58 -5.625 23.482 -14.895 1.00 73.23 O ATOM 944 CB HIS A 58 -3.791 25.382 -13.043 1.00 54.44 C ATOM 945 CG HIS A 58 -3.851 26.735 -13.683 1.00 13.52 C ATOM 946 ND1 HIS A 58 -3.038 27.109 -14.732 1.00 32.20 N ATOM 947 CD2 HIS A 58 -4.635 27.806 -13.417 1.00 13.42 C ATOM 948 CE1 HIS A 58 -3.318 28.351 -15.083 1.00 11.45 C ATOM 949 NE2 HIS A 58 -4.284 28.797 -14.300 1.00 53.41 N ATOM 0 H HIS A 58 -5.649 23.446 -11.295 1.00 21.32 H new ATOM 0 HA HIS A 58 -5.931 25.404 -13.239 1.00 42.25 H new ATOM 0 HB2 HIS A 58 -3.328 25.474 -12.061 1.00 54.44 H new ATOM 0 HB3 HIS A 58 -3.148 24.735 -13.640 1.00 54.44 H new ATOM 0 HD2 HIS A 58 -5.395 27.869 -12.652 1.00 13.42 H new ATOM 0 HE1 HIS A 58 -2.839 28.907 -15.875 1.00 11.45 H new ATOM 0 HE2 HIS A 58 -4.701 29.727 -14.344 1.00 53.41 H new ATOM 957 N THR A 59 -4.815 22.330 -13.140 1.00 75.32 N ATOM 958 CA THR A 59 -4.822 21.050 -13.838 1.00 11.04 C ATOM 959 C THR A 59 -6.145 20.825 -14.562 1.00 4.25 C ATOM 960 O THR A 59 -6.189 20.172 -15.604 1.00 53.44 O ATOM 961 CB THR A 59 -4.576 19.880 -12.867 1.00 21.22 C ATOM 962 OG1 THR A 59 -3.179 19.568 -12.820 1.00 72.50 O ATOM 963 CG2 THR A 59 -5.362 18.649 -13.293 1.00 21.14 C ATOM 0 H THR A 59 -4.477 22.284 -12.179 1.00 75.32 H new ATOM 0 HA THR A 59 -4.013 21.084 -14.568 1.00 11.04 H new ATOM 0 HB THR A 59 -4.914 20.182 -11.876 1.00 21.22 H new ATOM 0 HG1 THR A 59 -3.031 18.824 -12.200 1.00 72.50 H new ATOM 0 HG21 THR A 59 -5.172 17.836 -12.592 1.00 21.14 H new ATOM 0 HG22 THR A 59 -6.427 18.882 -13.300 1.00 21.14 H new ATOM 0 HG23 THR A 59 -5.051 18.346 -14.293 1.00 21.14 H new ATOM 971 N ASP A 60 -7.220 21.370 -14.003 1.00 5.13 N ATOM 972 CA ASP A 60 -8.544 21.230 -14.597 1.00 11.35 C ATOM 973 C ASP A 60 -8.518 21.598 -16.077 1.00 4.53 C ATOM 974 O ASP A 60 -9.237 21.013 -16.886 1.00 52.34 O ATOM 975 CB ASP A 60 -9.553 22.110 -13.857 1.00 53.34 C ATOM 976 CG ASP A 60 -10.817 22.343 -14.662 1.00 32.23 C ATOM 977 OD1 ASP A 60 -10.924 23.409 -15.304 1.00 74.42 O ATOM 978 OD2 ASP A 60 -11.699 21.459 -14.649 1.00 63.45 O ATOM 0 H ASP A 60 -7.200 21.913 -13.140 1.00 5.13 H new ATOM 0 HA ASP A 60 -8.848 20.187 -14.507 1.00 11.35 H new ATOM 0 HB2 ASP A 60 -9.812 21.642 -12.907 1.00 53.34 H new ATOM 0 HB3 ASP A 60 -9.092 23.070 -13.624 1.00 53.34 H new ATOM 983 N LYS A 61 -7.684 22.573 -16.424 1.00 2.12 N ATOM 984 CA LYS A 61 -7.562 23.021 -17.806 1.00 73.52 C ATOM 985 C LYS A 61 -6.596 22.132 -18.583 1.00 31.32 C ATOM 986 O LYS A 61 -6.850 21.780 -19.735 1.00 40.22 O ATOM 987 CB LYS A 61 -7.085 24.474 -17.853 1.00 71.24 C ATOM 988 CG LYS A 61 -6.777 24.968 -19.256 1.00 74.34 C ATOM 989 CD LYS A 61 -6.743 26.486 -19.318 1.00 72.53 C ATOM 990 CE LYS A 61 -8.136 27.067 -19.509 1.00 44.11 C ATOM 991 NZ LYS A 61 -8.408 27.398 -20.935 1.00 42.12 N ATOM 0 H LYS A 61 -7.082 23.068 -15.766 1.00 2.12 H new ATOM 0 HA LYS A 61 -8.545 22.953 -18.272 1.00 73.52 H new ATOM 0 HB2 LYS A 61 -7.850 25.113 -17.412 1.00 71.24 H new ATOM 0 HB3 LYS A 61 -6.191 24.574 -17.237 1.00 71.24 H new ATOM 0 HG2 LYS A 61 -5.816 24.568 -19.581 1.00 74.34 H new ATOM 0 HG3 LYS A 61 -7.530 24.591 -19.949 1.00 74.34 H new ATOM 0 HD2 LYS A 61 -6.306 26.879 -18.400 1.00 72.53 H new ATOM 0 HD3 LYS A 61 -6.099 26.803 -20.138 1.00 72.53 H new ATOM 0 HE2 LYS A 61 -8.879 26.353 -19.154 1.00 44.11 H new ATOM 0 HE3 LYS A 61 -8.241 27.966 -18.901 1.00 44.11 H new ATOM 0 HZ1 LYS A 61 -9.367 27.791 -21.023 1.00 42.12 H new ATOM 0 HZ2 LYS A 61 -7.715 28.098 -21.267 1.00 42.12 H new ATOM 0 HZ3 LYS A 61 -8.333 26.536 -21.512 1.00 42.12 H new ATOM 1005 N PHE A 62 -5.488 21.770 -17.944 1.00 52.32 N ATOM 1006 CA PHE A 62 -4.484 20.922 -18.575 1.00 72.43 C ATOM 1007 C PHE A 62 -5.050 19.535 -18.867 1.00 61.20 C ATOM 1008 O PHE A 62 -5.068 19.089 -20.013 1.00 62.24 O ATOM 1009 CB PHE A 62 -3.250 20.803 -17.679 1.00 43.12 C ATOM 1010 CG PHE A 62 -1.979 20.548 -18.439 1.00 55.42 C ATOM 1011 CD1 PHE A 62 -1.613 21.366 -19.496 1.00 71.11 C ATOM 1012 CD2 PHE A 62 -1.152 19.491 -18.097 1.00 70.10 C ATOM 1013 CE1 PHE A 62 -0.445 21.135 -20.197 1.00 63.45 C ATOM 1014 CE2 PHE A 62 0.018 19.255 -18.794 1.00 73.03 C ATOM 1015 CZ PHE A 62 0.371 20.077 -19.847 1.00 22.14 C ATOM 0 H PHE A 62 -5.263 22.051 -16.990 1.00 52.32 H new ATOM 0 HA PHE A 62 -4.195 21.384 -19.519 1.00 72.43 H new ATOM 0 HB2 PHE A 62 -3.141 21.721 -17.101 1.00 43.12 H new ATOM 0 HB3 PHE A 62 -3.406 19.994 -16.965 1.00 43.12 H new ATOM 0 HD1 PHE A 62 -2.248 22.194 -19.775 1.00 71.11 H new ATOM 0 HD2 PHE A 62 -1.424 18.844 -17.276 1.00 70.10 H new ATOM 0 HE1 PHE A 62 -0.170 21.781 -21.018 1.00 63.45 H new ATOM 0 HE2 PHE A 62 0.656 18.429 -18.516 1.00 73.03 H new ATOM 0 HZ PHE A 62 1.283 19.893 -20.395 1.00 22.14 H new ATOM 1025 N ASN A 63 -5.511 18.858 -17.820 1.00 64.00 N ATOM 1026 CA ASN A 63 -6.076 17.521 -17.963 1.00 0.23 C ATOM 1027 C ASN A 63 -7.162 17.502 -19.034 1.00 34.43 C ATOM 1028 O ASN A 63 -7.477 16.452 -19.596 1.00 0.40 O ATOM 1029 CB ASN A 63 -6.651 17.043 -16.628 1.00 52.00 C ATOM 1030 CG ASN A 63 -7.232 15.645 -16.716 1.00 64.24 C ATOM 1031 OD1 ASN A 63 -6.498 14.661 -16.814 1.00 43.11 O ATOM 1032 ND2 ASN A 63 -8.556 15.551 -16.683 1.00 22.24 N ATOM 0 H ASN A 63 -5.504 19.213 -16.864 1.00 64.00 H new ATOM 0 HA ASN A 63 -5.277 16.846 -18.269 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -5.867 17.061 -15.871 1.00 52.00 H new ATOM 0 HB3 ASN A 63 -7.426 17.736 -16.301 1.00 52.00 H new ATOM 0 HD21 ASN A 63 -9.004 14.636 -16.740 1.00 22.24 H new ATOM 0 HD22 ASN A 63 -9.125 16.393 -16.601 1.00 22.24 H new ATOM 1039 N LYS A 64 -7.732 18.669 -19.312 1.00 14.22 N ATOM 1040 CA LYS A 64 -8.782 18.788 -20.316 1.00 54.54 C ATOM 1041 C LYS A 64 -8.194 18.771 -21.723 1.00 62.25 C ATOM 1042 O LYS A 64 -8.765 18.179 -22.640 1.00 13.05 O ATOM 1043 CB LYS A 64 -9.578 20.078 -20.101 1.00 74.33 C ATOM 1044 CG LYS A 64 -11.082 19.890 -20.213 1.00 4.32 C ATOM 1045 CD LYS A 64 -11.736 21.052 -20.943 1.00 23.44 C ATOM 1046 CE LYS A 64 -13.243 21.059 -20.740 1.00 71.12 C ATOM 1047 NZ LYS A 64 -13.963 20.495 -21.915 1.00 73.22 N ATOM 0 H LYS A 64 -7.484 19.547 -18.856 1.00 14.22 H new ATOM 0 HA LYS A 64 -9.450 17.933 -20.210 1.00 54.54 H new ATOM 0 HB2 LYS A 64 -9.343 20.480 -19.116 1.00 74.33 H new ATOM 0 HB3 LYS A 64 -9.257 20.819 -20.833 1.00 74.33 H new ATOM 0 HG2 LYS A 64 -11.295 18.961 -20.741 1.00 4.32 H new ATOM 0 HG3 LYS A 64 -11.513 19.796 -19.216 1.00 4.32 H new ATOM 0 HD2 LYS A 64 -11.315 21.991 -20.585 1.00 23.44 H new ATOM 0 HD3 LYS A 64 -11.511 20.987 -22.008 1.00 23.44 H new ATOM 0 HE2 LYS A 64 -13.492 20.482 -19.850 1.00 71.12 H new ATOM 0 HE3 LYS A 64 -13.581 22.080 -20.563 1.00 71.12 H new ATOM 0 HZ1 LYS A 64 -14.988 20.517 -21.738 1.00 73.22 H new ATOM 0 HZ2 LYS A 64 -13.745 21.061 -22.760 1.00 73.22 H new ATOM 0 HZ3 LYS A 64 -13.660 19.512 -22.069 1.00 73.22 H new ATOM 1061 N LYS A 65 -7.047 19.422 -21.888 1.00 74.15 N ATOM 1062 CA LYS A 65 -6.379 19.479 -23.183 1.00 41.20 C ATOM 1063 C LYS A 65 -5.511 18.244 -23.402 1.00 73.15 C ATOM 1064 O LYS A 65 -5.488 17.677 -24.494 1.00 61.33 O ATOM 1065 CB LYS A 65 -5.521 20.742 -23.281 1.00 45.34 C ATOM 1066 CG LYS A 65 -4.575 20.928 -22.108 1.00 2.05 C ATOM 1067 CD LYS A 65 -3.690 22.149 -22.292 1.00 40.41 C ATOM 1068 CE LYS A 65 -2.376 21.789 -22.968 1.00 71.22 C ATOM 1069 NZ LYS A 65 -1.487 22.974 -23.120 1.00 22.31 N ATOM 0 H LYS A 65 -6.561 19.918 -21.141 1.00 74.15 H new ATOM 0 HA LYS A 65 -7.145 19.506 -23.958 1.00 41.20 H new ATOM 0 HB2 LYS A 65 -4.940 20.706 -24.203 1.00 45.34 H new ATOM 0 HB3 LYS A 65 -6.175 21.611 -23.350 1.00 45.34 H new ATOM 0 HG2 LYS A 65 -5.151 21.030 -21.188 1.00 2.05 H new ATOM 0 HG3 LYS A 65 -3.953 20.040 -21.997 1.00 2.05 H new ATOM 0 HD2 LYS A 65 -4.216 22.894 -22.890 1.00 40.41 H new ATOM 0 HD3 LYS A 65 -3.489 22.603 -21.322 1.00 40.41 H new ATOM 0 HE2 LYS A 65 -1.865 21.024 -22.384 1.00 71.22 H new ATOM 0 HE3 LYS A 65 -2.578 21.359 -23.949 1.00 71.22 H new ATOM 0 HZ1 LYS A 65 -0.602 22.687 -23.585 1.00 22.31 H new ATOM 0 HZ2 LYS A 65 -1.964 23.694 -23.699 1.00 22.31 H new ATOM 0 HZ3 LYS A 65 -1.273 23.370 -22.182 1.00 22.31 H new ATOM 1083 N MET A 66 -4.801 17.832 -22.358 1.00 1.15 N ATOM 1084 CA MET A 66 -3.934 16.662 -22.437 1.00 32.05 C ATOM 1085 C MET A 66 -4.757 15.383 -22.552 1.00 31.34 C ATOM 1086 O MET A 66 -4.212 14.300 -22.767 1.00 3.22 O ATOM 1087 CB MET A 66 -3.026 16.589 -21.207 1.00 52.43 C ATOM 1088 CG MET A 66 -2.169 17.829 -21.011 1.00 11.31 C ATOM 1089 SD MET A 66 -0.822 17.939 -22.205 1.00 15.12 S ATOM 1090 CE MET A 66 -1.652 18.735 -23.579 1.00 21.35 C ATOM 0 H MET A 66 -4.809 18.291 -21.447 1.00 1.15 H new ATOM 0 HA MET A 66 -3.317 16.758 -23.330 1.00 32.05 H new ATOM 0 HB2 MET A 66 -3.641 16.438 -20.320 1.00 52.43 H new ATOM 0 HB3 MET A 66 -2.376 15.718 -21.296 1.00 52.43 H new ATOM 0 HG2 MET A 66 -2.796 18.716 -21.094 1.00 11.31 H new ATOM 0 HG3 MET A 66 -1.756 17.824 -20.002 1.00 11.31 H new ATOM 0 HE1 MET A 66 -1.781 18.019 -24.390 1.00 21.35 H new ATOM 0 HE2 MET A 66 -2.628 19.096 -23.255 1.00 21.35 H new ATOM 0 HE3 MET A 66 -1.052 19.575 -23.929 1.00 21.35 H new ATOM 1100 N ARG A 67 -6.071 15.515 -22.406 1.00 75.24 N ATOM 1101 CA ARG A 67 -6.969 14.369 -22.493 1.00 23.14 C ATOM 1102 C ARG A 67 -6.746 13.601 -23.792 1.00 71.31 C ATOM 1103 O ARG A 67 -7.013 12.402 -23.868 1.00 63.15 O ATOM 1104 CB ARG A 67 -8.425 14.827 -22.402 1.00 35.25 C ATOM 1105 CG ARG A 67 -9.428 13.741 -22.757 1.00 54.41 C ATOM 1106 CD ARG A 67 -9.834 13.816 -24.221 1.00 31.43 C ATOM 1107 NE ARG A 67 -11.009 14.659 -24.421 1.00 14.11 N ATOM 1108 CZ ARG A 67 -11.410 15.090 -25.612 1.00 12.54 C ATOM 1109 NH1 ARG A 67 -10.734 14.759 -26.703 1.00 21.13 N ATOM 1110 NH2 ARG A 67 -12.490 15.855 -25.713 1.00 32.24 N ATOM 0 H ARG A 67 -6.538 16.404 -22.227 1.00 75.24 H new ATOM 0 HA ARG A 67 -6.752 13.705 -21.657 1.00 23.14 H new ATOM 0 HB2 ARG A 67 -8.624 15.177 -21.389 1.00 35.25 H new ATOM 0 HB3 ARG A 67 -8.572 15.677 -23.068 1.00 35.25 H new ATOM 0 HG2 ARG A 67 -8.996 12.762 -22.548 1.00 54.41 H new ATOM 0 HG3 ARG A 67 -10.312 13.841 -22.127 1.00 54.41 H new ATOM 0 HD2 ARG A 67 -9.003 14.207 -24.808 1.00 31.43 H new ATOM 0 HD3 ARG A 67 -10.041 12.812 -24.592 1.00 31.43 H new ATOM 0 HE ARG A 67 -11.552 14.932 -23.602 1.00 14.11 H new ATOM 0 HH11 ARG A 67 -9.903 14.172 -26.630 1.00 21.13 H new ATOM 0 HH12 ARG A 67 -11.045 15.092 -27.616 1.00 21.13 H new ATOM 0 HH21 ARG A 67 -13.013 16.112 -24.876 1.00 32.24 H new ATOM 0 HH22 ARG A 67 -12.797 16.185 -26.628 1.00 32.24 H new ATOM 1124 N GLU A 68 -6.256 14.300 -24.811 1.00 15.51 N ATOM 1125 CA GLU A 68 -6.000 13.684 -26.107 1.00 62.31 C ATOM 1126 C GLU A 68 -4.672 12.932 -26.098 1.00 60.34 C ATOM 1127 O GLU A 68 -4.507 11.932 -26.798 1.00 34.31 O ATOM 1128 CB GLU A 68 -5.990 14.745 -27.209 1.00 10.41 C ATOM 1129 CG GLU A 68 -6.953 14.451 -28.347 1.00 30.43 C ATOM 1130 CD GLU A 68 -6.987 15.557 -29.383 1.00 74.12 C ATOM 1131 OE1 GLU A 68 -7.904 15.546 -30.232 1.00 20.34 O ATOM 1132 OE2 GLU A 68 -6.099 16.433 -29.347 1.00 25.05 O ATOM 0 H GLU A 68 -6.028 15.293 -24.764 1.00 15.51 H new ATOM 0 HA GLU A 68 -6.801 12.972 -26.307 1.00 62.31 H new ATOM 0 HB2 GLU A 68 -6.241 15.712 -26.773 1.00 10.41 H new ATOM 0 HB3 GLU A 68 -4.980 14.829 -27.611 1.00 10.41 H new ATOM 0 HG2 GLU A 68 -6.666 13.516 -28.828 1.00 30.43 H new ATOM 0 HG3 GLU A 68 -7.955 14.307 -27.942 1.00 30.43 H new ATOM 1139 N HIS A 69 -3.727 13.421 -25.302 1.00 21.22 N ATOM 1140 CA HIS A 69 -2.413 12.796 -25.201 1.00 62.43 C ATOM 1141 C HIS A 69 -2.411 11.702 -24.137 1.00 54.14 C ATOM 1142 O HIS A 69 -1.365 11.144 -23.808 1.00 4.50 O ATOM 1143 CB HIS A 69 -1.350 13.844 -24.873 1.00 44.20 C ATOM 1144 CG HIS A 69 -0.739 14.478 -26.085 1.00 61.30 C ATOM 1145 ND1 HIS A 69 0.621 14.519 -26.308 1.00 62.54 N ATOM 1146 CD2 HIS A 69 -1.311 15.097 -27.144 1.00 33.40 C ATOM 1147 CE1 HIS A 69 0.859 15.137 -27.451 1.00 61.44 C ATOM 1148 NE2 HIS A 69 -0.297 15.497 -27.979 1.00 11.03 N ATOM 0 H HIS A 69 -3.846 14.248 -24.717 1.00 21.22 H new ATOM 0 HA HIS A 69 -2.180 12.342 -26.164 1.00 62.43 H new ATOM 0 HB2 HIS A 69 -1.797 14.621 -24.253 1.00 44.20 H new ATOM 0 HB3 HIS A 69 -0.562 13.378 -24.281 1.00 44.20 H new ATOM 0 HD2 HIS A 69 -2.369 15.248 -27.303 1.00 33.40 H new ATOM 0 HE1 HIS A 69 1.833 15.317 -27.881 1.00 61.44 H new ATOM 0 HE2 HIS A 69 -0.417 15.992 -28.863 1.00 11.03 H new ATOM 1156 N SER A 70 -3.591 11.401 -23.603 1.00 43.21 N ATOM 1157 CA SER A 70 -3.725 10.378 -22.573 1.00 64.21 C ATOM 1158 C SER A 70 -3.520 8.985 -23.161 1.00 43.02 C ATOM 1159 O SER A 70 -3.433 7.998 -22.431 1.00 55.50 O ATOM 1160 CB SER A 70 -5.101 10.467 -21.912 1.00 32.04 C ATOM 1161 OG SER A 70 -5.537 11.812 -21.821 1.00 53.31 O ATOM 0 H SER A 70 -4.467 11.851 -23.867 1.00 43.21 H new ATOM 0 HA SER A 70 -2.956 10.553 -21.820 1.00 64.21 H new ATOM 0 HB2 SER A 70 -5.822 9.886 -22.487 1.00 32.04 H new ATOM 0 HB3 SER A 70 -5.058 10.027 -20.916 1.00 32.04 H new ATOM 0 HG SER A 70 -5.681 12.046 -20.880 1.00 53.31 H new ATOM 1167 N GLU A 71 -3.443 8.915 -24.487 1.00 21.44 N ATOM 1168 CA GLU A 71 -3.249 7.643 -25.173 1.00 71.13 C ATOM 1169 C GLU A 71 -1.874 7.059 -24.860 1.00 53.40 C ATOM 1170 O GLU A 71 -1.739 5.862 -24.605 1.00 40.21 O ATOM 1171 CB GLU A 71 -3.406 7.825 -26.684 1.00 62.14 C ATOM 1172 CG GLU A 71 -4.731 7.314 -27.225 1.00 2.02 C ATOM 1173 CD GLU A 71 -4.671 6.991 -28.705 1.00 74.31 C ATOM 1174 OE1 GLU A 71 -4.923 5.822 -29.067 1.00 23.01 O ATOM 1175 OE2 GLU A 71 -4.374 7.905 -29.501 1.00 45.23 O ATOM 0 H GLU A 71 -3.512 9.723 -25.106 1.00 21.44 H new ATOM 0 HA GLU A 71 -4.009 6.948 -24.817 1.00 71.13 H new ATOM 0 HB2 GLU A 71 -3.308 8.883 -26.926 1.00 62.14 H new ATOM 0 HB3 GLU A 71 -2.592 7.306 -27.190 1.00 62.14 H new ATOM 0 HG2 GLU A 71 -5.024 6.421 -26.674 1.00 2.02 H new ATOM 0 HG3 GLU A 71 -5.503 8.063 -27.051 1.00 2.02 H new ATOM 1182 N HIS A 72 -0.856 7.914 -24.882 1.00 33.13 N ATOM 1183 CA HIS A 72 0.509 7.484 -24.600 1.00 52.12 C ATOM 1184 C HIS A 72 0.790 7.517 -23.101 1.00 23.40 C ATOM 1185 O HIS A 72 1.684 6.825 -22.612 1.00 13.14 O ATOM 1186 CB HIS A 72 1.509 8.375 -25.338 1.00 72.41 C ATOM 1187 CG HIS A 72 2.712 7.637 -25.839 1.00 71.34 C ATOM 1188 ND1 HIS A 72 2.639 6.628 -26.776 1.00 64.43 N ATOM 1189 CD2 HIS A 72 4.023 7.767 -25.530 1.00 1.32 C ATOM 1190 CE1 HIS A 72 3.854 6.168 -27.020 1.00 52.22 C ATOM 1191 NE2 HIS A 72 4.712 6.843 -26.277 1.00 12.42 N ATOM 0 H HIS A 72 -0.951 8.908 -25.092 1.00 33.13 H new ATOM 0 HA HIS A 72 0.620 6.458 -24.950 1.00 52.12 H new ATOM 0 HB2 HIS A 72 1.007 8.850 -26.181 1.00 72.41 H new ATOM 0 HB3 HIS A 72 1.834 9.173 -24.670 1.00 72.41 H new ATOM 0 HD2 HIS A 72 4.449 8.467 -24.827 1.00 1.32 H new ATOM 0 HE1 HIS A 72 4.103 5.375 -27.710 1.00 52.22 H new ATOM 0 HE2 HIS A 72 5.722 6.701 -26.261 1.00 12.42 H new ATOM 1199 N PHE A 73 0.023 8.325 -22.377 1.00 71.31 N ATOM 1200 CA PHE A 73 0.191 8.449 -20.934 1.00 30.31 C ATOM 1201 C PHE A 73 -0.484 7.290 -20.206 1.00 73.01 C ATOM 1202 O PHE A 73 0.128 6.625 -19.370 1.00 41.02 O ATOM 1203 CB PHE A 73 -0.386 9.779 -20.444 1.00 62.34 C ATOM 1204 CG PHE A 73 0.444 10.970 -20.830 1.00 54.11 C ATOM 1205 CD1 PHE A 73 -0.152 12.102 -21.364 1.00 64.40 C ATOM 1206 CD2 PHE A 73 1.819 10.958 -20.659 1.00 55.13 C ATOM 1207 CE1 PHE A 73 0.609 13.200 -21.720 1.00 34.23 C ATOM 1208 CE2 PHE A 73 2.584 12.053 -21.013 1.00 12.33 C ATOM 1209 CZ PHE A 73 1.978 13.175 -21.545 1.00 3.13 C ATOM 0 H PHE A 73 -0.721 8.904 -22.766 1.00 71.31 H new ATOM 0 HA PHE A 73 1.258 8.421 -20.714 1.00 30.31 H new ATOM 0 HB2 PHE A 73 -1.391 9.901 -20.847 1.00 62.34 H new ATOM 0 HB3 PHE A 73 -0.480 9.748 -19.358 1.00 62.34 H new ATOM 0 HD1 PHE A 73 -1.223 12.126 -21.503 1.00 64.40 H new ATOM 0 HD2 PHE A 73 2.298 10.083 -20.245 1.00 55.13 H new ATOM 0 HE1 PHE A 73 0.133 14.076 -22.135 1.00 34.23 H new ATOM 0 HE2 PHE A 73 3.655 12.032 -20.874 1.00 12.33 H new ATOM 0 HZ PHE A 73 2.575 14.031 -21.823 1.00 3.13 H new ATOM 1219 N LYS A 74 -1.751 7.054 -20.530 1.00 12.04 N ATOM 1220 CA LYS A 74 -2.512 5.976 -19.909 1.00 2.02 C ATOM 1221 C LYS A 74 -1.805 4.637 -20.090 1.00 24.30 C ATOM 1222 O LYS A 74 -2.016 3.703 -19.316 1.00 45.33 O ATOM 1223 CB LYS A 74 -3.919 5.907 -20.507 1.00 22.21 C ATOM 1224 CG LYS A 74 -4.742 4.739 -19.991 1.00 50.15 C ATOM 1225 CD LYS A 74 -4.790 3.603 -20.999 1.00 71.22 C ATOM 1226 CE LYS A 74 -5.604 2.429 -20.477 1.00 23.41 C ATOM 1227 NZ LYS A 74 -6.784 2.144 -21.339 1.00 42.25 N ATOM 0 H LYS A 74 -2.273 7.595 -21.219 1.00 12.04 H new ATOM 0 HA LYS A 74 -2.587 6.186 -18.842 1.00 2.02 H new ATOM 0 HB2 LYS A 74 -4.444 6.836 -20.287 1.00 22.21 H new ATOM 0 HB3 LYS A 74 -3.841 5.834 -21.592 1.00 22.21 H new ATOM 0 HG2 LYS A 74 -4.316 4.378 -19.055 1.00 50.15 H new ATOM 0 HG3 LYS A 74 -5.755 5.075 -19.772 1.00 50.15 H new ATOM 0 HD2 LYS A 74 -5.224 3.962 -21.932 1.00 71.22 H new ATOM 0 HD3 LYS A 74 -3.776 3.272 -21.225 1.00 71.22 H new ATOM 0 HE2 LYS A 74 -4.971 1.543 -20.424 1.00 23.41 H new ATOM 0 HE3 LYS A 74 -5.939 2.642 -19.462 1.00 23.41 H new ATOM 0 HZ1 LYS A 74 -7.312 1.337 -20.949 1.00 42.25 H new ATOM 0 HZ2 LYS A 74 -7.402 2.980 -21.369 1.00 42.25 H new ATOM 0 HZ3 LYS A 74 -6.464 1.915 -22.302 1.00 42.25 H new ATOM 1241 N ALA A 75 -0.964 4.551 -21.116 1.00 21.43 N ATOM 1242 CA ALA A 75 -0.223 3.327 -21.396 1.00 31.15 C ATOM 1243 C ALA A 75 0.916 3.135 -20.400 1.00 42.13 C ATOM 1244 O ALA A 75 1.274 2.007 -20.060 1.00 12.34 O ATOM 1245 CB ALA A 75 0.315 3.349 -22.819 1.00 12.34 C ATOM 0 H ALA A 75 -0.779 5.314 -21.767 1.00 21.43 H new ATOM 0 HA ALA A 75 -0.908 2.485 -21.292 1.00 31.15 H new ATOM 0 HB1 ALA A 75 0.866 2.429 -23.014 1.00 12.34 H new ATOM 0 HB2 ALA A 75 -0.515 3.430 -23.521 1.00 12.34 H new ATOM 0 HB3 ALA A 75 0.980 4.204 -22.943 1.00 12.34 H new ATOM 1251 N LYS A 76 1.484 4.244 -19.937 1.00 71.52 N ATOM 1252 CA LYS A 76 2.583 4.198 -18.980 1.00 40.51 C ATOM 1253 C LYS A 76 2.180 3.432 -17.724 1.00 52.43 C ATOM 1254 O LYS A 76 2.971 2.668 -17.170 1.00 54.54 O ATOM 1255 CB LYS A 76 3.020 5.617 -18.607 1.00 31.10 C ATOM 1256 CG LYS A 76 4.273 5.662 -17.750 1.00 21.41 C ATOM 1257 CD LYS A 76 5.441 6.278 -18.501 1.00 51.43 C ATOM 1258 CE LYS A 76 6.618 6.549 -17.577 1.00 21.21 C ATOM 1259 NZ LYS A 76 7.473 7.660 -18.078 1.00 40.31 N ATOM 0 H LYS A 76 1.201 5.185 -20.209 1.00 71.52 H new ATOM 0 HA LYS A 76 3.418 3.678 -19.448 1.00 40.51 H new ATOM 0 HB2 LYS A 76 3.194 6.186 -19.520 1.00 31.10 H new ATOM 0 HB3 LYS A 76 2.207 6.110 -18.074 1.00 31.10 H new ATOM 0 HG2 LYS A 76 4.076 6.238 -16.846 1.00 21.41 H new ATOM 0 HG3 LYS A 76 4.535 4.652 -17.434 1.00 21.41 H new ATOM 0 HD2 LYS A 76 5.753 5.608 -19.302 1.00 51.43 H new ATOM 0 HD3 LYS A 76 5.123 7.209 -18.969 1.00 51.43 H new ATOM 0 HE2 LYS A 76 6.249 6.796 -16.582 1.00 21.21 H new ATOM 0 HE3 LYS A 76 7.218 5.645 -17.479 1.00 21.21 H new ATOM 0 HZ1 LYS A 76 8.264 7.813 -17.420 1.00 40.31 H new ATOM 0 HZ2 LYS A 76 7.846 7.414 -19.017 1.00 40.31 H new ATOM 0 HZ3 LYS A 76 6.907 8.530 -18.147 1.00 40.31 H new ATOM 1273 N PHE A 77 0.945 3.641 -17.281 1.00 34.34 N ATOM 1274 CA PHE A 77 0.436 2.969 -16.090 1.00 44.02 C ATOM 1275 C PHE A 77 0.744 1.475 -16.136 1.00 11.15 C ATOM 1276 O PHE A 77 1.068 0.866 -15.117 1.00 4.24 O ATOM 1277 CB PHE A 77 -1.073 3.187 -15.961 1.00 25.12 C ATOM 1278 CG PHE A 77 -1.486 3.738 -14.626 1.00 53.13 C ATOM 1279 CD1 PHE A 77 -2.416 4.762 -14.543 1.00 4.51 C ATOM 1280 CD2 PHE A 77 -0.946 3.232 -13.455 1.00 44.31 C ATOM 1281 CE1 PHE A 77 -2.799 5.272 -13.316 1.00 61.25 C ATOM 1282 CE2 PHE A 77 -1.325 3.737 -12.226 1.00 13.21 C ATOM 1283 CZ PHE A 77 -2.252 4.759 -12.157 1.00 11.15 C ATOM 0 H PHE A 77 0.278 4.270 -17.728 1.00 34.34 H new ATOM 0 HA PHE A 77 0.933 3.398 -15.220 1.00 44.02 H new ATOM 0 HB2 PHE A 77 -1.402 3.870 -16.745 1.00 25.12 H new ATOM 0 HB3 PHE A 77 -1.585 2.239 -16.128 1.00 25.12 H new ATOM 0 HD1 PHE A 77 -2.847 5.166 -15.447 1.00 4.51 H new ATOM 0 HD2 PHE A 77 -0.220 2.434 -13.503 1.00 44.31 H new ATOM 0 HE1 PHE A 77 -3.525 6.070 -13.265 1.00 61.25 H new ATOM 0 HE2 PHE A 77 -0.897 3.333 -11.320 1.00 13.21 H new ATOM 0 HZ PHE A 77 -2.548 5.156 -11.197 1.00 11.15 H new ATOM 1293 N ALA A 78 0.639 0.891 -17.325 1.00 14.32 N ATOM 1294 CA ALA A 78 0.906 -0.530 -17.504 1.00 65.24 C ATOM 1295 C ALA A 78 2.337 -0.874 -17.104 1.00 63.05 C ATOM 1296 O ALA A 78 2.589 -1.917 -16.503 1.00 30.42 O ATOM 1297 CB ALA A 78 0.647 -0.938 -18.947 1.00 41.01 C ATOM 0 H ALA A 78 0.371 1.381 -18.179 1.00 14.32 H new ATOM 0 HA ALA A 78 0.231 -1.086 -16.854 1.00 65.24 H new ATOM 0 HB1 ALA A 78 0.851 -2.002 -19.066 1.00 41.01 H new ATOM 0 HB2 ALA A 78 -0.394 -0.737 -19.201 1.00 41.01 H new ATOM 0 HB3 ALA A 78 1.299 -0.368 -19.609 1.00 41.01 H new ATOM 1303 N GLU A 79 3.270 0.010 -17.444 1.00 4.14 N ATOM 1304 CA GLU A 79 4.676 -0.202 -17.120 1.00 64.35 C ATOM 1305 C GLU A 79 5.014 0.380 -15.751 1.00 50.52 C ATOM 1306 O GLU A 79 5.995 -0.015 -15.120 1.00 43.33 O ATOM 1307 CB GLU A 79 5.570 0.430 -18.190 1.00 74.41 C ATOM 1308 CG GLU A 79 6.989 0.697 -17.718 1.00 31.51 C ATOM 1309 CD GLU A 79 7.943 0.970 -18.864 1.00 64.41 C ATOM 1310 OE1 GLU A 79 8.088 0.088 -19.737 1.00 42.54 O ATOM 1311 OE2 GLU A 79 8.545 2.063 -18.888 1.00 4.21 O ATOM 0 H GLU A 79 3.078 0.879 -17.943 1.00 4.14 H new ATOM 0 HA GLU A 79 4.857 -1.276 -17.093 1.00 64.35 H new ATOM 0 HB2 GLU A 79 5.603 -0.228 -19.059 1.00 74.41 H new ATOM 0 HB3 GLU A 79 5.122 1.368 -18.517 1.00 74.41 H new ATOM 0 HG2 GLU A 79 6.988 1.550 -17.040 1.00 31.51 H new ATOM 0 HG3 GLU A 79 7.346 -0.161 -17.149 1.00 31.51 H new ATOM 1318 N LEU A 80 4.195 1.323 -15.298 1.00 33.34 N ATOM 1319 CA LEU A 80 4.405 1.962 -14.003 1.00 64.52 C ATOM 1320 C LEU A 80 4.446 0.925 -12.885 1.00 2.23 C ATOM 1321 O LEU A 80 5.382 0.897 -12.084 1.00 34.03 O ATOM 1322 CB LEU A 80 3.298 2.981 -13.729 1.00 63.12 C ATOM 1323 CG LEU A 80 3.484 4.360 -14.362 1.00 43.33 C ATOM 1324 CD1 LEU A 80 2.300 5.259 -14.041 1.00 43.14 C ATOM 1325 CD2 LEU A 80 4.783 4.995 -13.886 1.00 13.12 C ATOM 0 H LEU A 80 3.379 1.662 -15.808 1.00 33.34 H new ATOM 0 HA LEU A 80 5.365 2.477 -14.031 1.00 64.52 H new ATOM 0 HB2 LEU A 80 2.354 2.566 -14.082 1.00 63.12 H new ATOM 0 HB3 LEU A 80 3.207 3.108 -12.650 1.00 63.12 H new ATOM 0 HG LEU A 80 3.538 4.238 -15.444 1.00 43.33 H new ATOM 0 HD11 LEU A 80 2.450 6.236 -14.500 1.00 43.14 H new ATOM 0 HD12 LEU A 80 1.386 4.811 -14.432 1.00 43.14 H new ATOM 0 HD13 LEU A 80 2.214 5.375 -12.961 1.00 43.14 H new ATOM 0 HD21 LEU A 80 4.899 5.976 -14.347 1.00 13.12 H new ATOM 0 HD22 LEU A 80 4.759 5.104 -12.802 1.00 13.12 H new ATOM 0 HD23 LEU A 80 5.623 4.360 -14.168 1.00 13.12 H new ATOM 1337 N LEU A 81 3.428 0.074 -12.837 1.00 33.32 N ATOM 1338 CA LEU A 81 3.348 -0.967 -11.818 1.00 32.03 C ATOM 1339 C LEU A 81 4.668 -1.724 -11.707 1.00 53.53 C ATOM 1340 O LEU A 81 5.071 -2.131 -10.618 1.00 74.14 O ATOM 1341 CB LEU A 81 2.214 -1.941 -12.143 1.00 62.12 C ATOM 1342 CG LEU A 81 1.159 -2.132 -11.053 1.00 41.41 C ATOM 1343 CD1 LEU A 81 -0.227 -1.812 -11.590 1.00 53.33 C ATOM 1344 CD2 LEU A 81 1.207 -3.551 -10.507 1.00 31.13 C ATOM 0 H LEU A 81 2.646 0.084 -13.492 1.00 33.32 H new ATOM 0 HA LEU A 81 3.144 -0.488 -10.860 1.00 32.03 H new ATOM 0 HB2 LEU A 81 1.714 -1.596 -13.048 1.00 62.12 H new ATOM 0 HB3 LEU A 81 2.651 -2.913 -12.371 1.00 62.12 H new ATOM 0 HG LEU A 81 1.378 -1.443 -10.237 1.00 41.41 H new ATOM 0 HD11 LEU A 81 -0.965 -1.954 -10.800 1.00 53.33 H new ATOM 0 HD12 LEU A 81 -0.255 -0.777 -11.931 1.00 53.33 H new ATOM 0 HD13 LEU A 81 -0.456 -2.476 -12.424 1.00 53.33 H new ATOM 0 HD21 LEU A 81 0.449 -3.669 -9.732 1.00 31.13 H new ATOM 0 HD22 LEU A 81 1.014 -4.258 -11.314 1.00 31.13 H new ATOM 0 HD23 LEU A 81 2.192 -3.745 -10.083 1.00 31.13 H new ATOM 1356 N GLU A 82 5.337 -1.905 -12.842 1.00 34.13 N ATOM 1357 CA GLU A 82 6.612 -2.611 -12.871 1.00 31.50 C ATOM 1358 C GLU A 82 7.768 -1.659 -12.581 1.00 43.22 C ATOM 1359 O GLU A 82 8.799 -2.063 -12.043 1.00 74.45 O ATOM 1360 CB GLU A 82 6.818 -3.282 -14.231 1.00 12.01 C ATOM 1361 CG GLU A 82 7.917 -4.331 -14.232 1.00 44.42 C ATOM 1362 CD GLU A 82 7.853 -5.242 -15.442 1.00 74.32 C ATOM 1363 OE1 GLU A 82 8.293 -4.815 -16.530 1.00 72.22 O ATOM 1364 OE2 GLU A 82 7.362 -6.382 -15.302 1.00 0.25 O ATOM 0 H GLU A 82 5.017 -1.573 -13.752 1.00 34.13 H new ATOM 0 HA GLU A 82 6.592 -3.377 -12.095 1.00 31.50 H new ATOM 0 HB2 GLU A 82 5.883 -3.747 -14.542 1.00 12.01 H new ATOM 0 HB3 GLU A 82 7.056 -2.518 -14.971 1.00 12.01 H new ATOM 0 HG2 GLU A 82 8.887 -3.835 -14.206 1.00 44.42 H new ATOM 0 HG3 GLU A 82 7.842 -4.931 -13.325 1.00 44.42 H new ATOM 1371 N GLN A 83 7.589 -0.392 -12.942 1.00 75.43 N ATOM 1372 CA GLN A 83 8.617 0.618 -12.722 1.00 60.53 C ATOM 1373 C GLN A 83 9.138 0.561 -11.290 1.00 15.41 C ATOM 1374 O GLN A 83 10.332 0.370 -11.061 1.00 54.52 O ATOM 1375 CB GLN A 83 8.065 2.012 -13.023 1.00 12.14 C ATOM 1376 CG GLN A 83 9.071 3.128 -12.792 1.00 23.32 C ATOM 1377 CD GLN A 83 8.615 4.117 -11.737 1.00 71.53 C ATOM 1378 OE1 GLN A 83 8.712 5.330 -11.924 1.00 21.20 O ATOM 1379 NE2 GLN A 83 8.113 3.602 -10.621 1.00 0.13 N ATOM 0 H GLN A 83 6.742 -0.041 -13.388 1.00 75.43 H new ATOM 0 HA GLN A 83 9.446 0.410 -13.399 1.00 60.53 H new ATOM 0 HB2 GLN A 83 7.730 2.045 -14.060 1.00 12.14 H new ATOM 0 HB3 GLN A 83 7.189 2.189 -12.399 1.00 12.14 H new ATOM 0 HG2 GLN A 83 10.025 2.695 -12.490 1.00 23.32 H new ATOM 0 HG3 GLN A 83 9.243 3.657 -13.730 1.00 23.32 H new ATOM 0 HE21 GLN A 83 8.052 2.590 -10.509 1.00 0.13 H new ATOM 0 HE22 GLN A 83 7.789 4.218 -9.876 1.00 0.13 H new ATOM 1388 N GLN A 84 8.234 0.729 -10.330 1.00 53.40 N ATOM 1389 CA GLN A 84 8.603 0.699 -8.920 1.00 30.22 C ATOM 1390 C GLN A 84 8.792 -0.736 -8.438 1.00 1.34 C ATOM 1391 O GLN A 84 9.846 -1.091 -7.909 1.00 40.24 O ATOM 1392 CB GLN A 84 7.535 1.396 -8.076 1.00 12.41 C ATOM 1393 CG GLN A 84 8.074 1.998 -6.788 1.00 51.33 C ATOM 1394 CD GLN A 84 8.741 0.969 -5.897 1.00 61.14 C ATOM 1395 OE1 GLN A 84 9.937 0.705 -6.022 1.00 4.41 O ATOM 1396 NE2 GLN A 84 7.969 0.380 -4.991 1.00 40.44 N ATOM 0 H GLN A 84 7.241 0.887 -10.503 1.00 53.40 H new ATOM 0 HA GLN A 84 9.548 1.229 -8.806 1.00 30.22 H new ATOM 0 HB2 GLN A 84 7.072 2.184 -8.670 1.00 12.41 H new ATOM 0 HB3 GLN A 84 6.751 0.679 -7.832 1.00 12.41 H new ATOM 0 HG2 GLN A 84 8.791 2.782 -7.030 1.00 51.33 H new ATOM 0 HG3 GLN A 84 7.257 2.470 -6.243 1.00 51.33 H new ATOM 0 HE21 GLN A 84 6.982 0.629 -4.922 1.00 40.44 H new ATOM 0 HE22 GLN A 84 8.363 -0.322 -4.364 1.00 40.44 H new ATOM 1405 N LYS A 85 7.764 -1.557 -8.622 1.00 61.03 N ATOM 1406 CA LYS A 85 7.816 -2.954 -8.207 1.00 41.14 C ATOM 1407 C LYS A 85 9.153 -3.584 -8.585 1.00 74.33 C ATOM 1408 O LYS A 85 9.912 -4.018 -7.720 1.00 14.13 O ATOM 1409 CB LYS A 85 6.670 -3.740 -8.848 1.00 30.44 C ATOM 1410 CG LYS A 85 6.591 -5.185 -8.385 1.00 71.01 C ATOM 1411 CD LYS A 85 5.209 -5.771 -8.621 1.00 62.44 C ATOM 1412 CE LYS A 85 5.040 -7.104 -7.909 1.00 21.50 C ATOM 1413 NZ LYS A 85 4.110 -7.000 -6.751 1.00 32.41 N ATOM 0 H LYS A 85 6.884 -1.279 -9.056 1.00 61.03 H new ATOM 0 HA LYS A 85 7.711 -2.990 -7.123 1.00 41.14 H new ATOM 0 HB2 LYS A 85 5.727 -3.242 -8.621 1.00 30.44 H new ATOM 0 HB3 LYS A 85 6.788 -3.720 -9.931 1.00 30.44 H new ATOM 0 HG2 LYS A 85 7.335 -5.779 -8.916 1.00 71.01 H new ATOM 0 HG3 LYS A 85 6.835 -5.242 -7.324 1.00 71.01 H new ATOM 0 HD2 LYS A 85 4.451 -5.071 -8.270 1.00 62.44 H new ATOM 0 HD3 LYS A 85 5.047 -5.905 -9.691 1.00 62.44 H new ATOM 0 HE2 LYS A 85 4.663 -7.846 -8.612 1.00 21.50 H new ATOM 0 HE3 LYS A 85 6.012 -7.457 -7.564 1.00 21.50 H new ATOM 0 HZ1 LYS A 85 4.021 -7.929 -6.292 1.00 32.41 H new ATOM 0 HZ2 LYS A 85 4.483 -6.311 -6.067 1.00 32.41 H new ATOM 0 HZ3 LYS A 85 3.175 -6.688 -7.083 1.00 32.41 H new