USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 481 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.197 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 25 MET CE :methyl 150:sc= -0.55 (180deg=-1.07) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -172:sc= 0.0805 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.152 F(o=-1.2,f=-0.15) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00426 X(o=-0.0043,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.022) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 6 7.357 6.870 -2.694 1.00 54.12 N ATOM 67 CA LYS A 6 8.170 5.954 -1.903 1.00 52.12 C ATOM 68 C LYS A 6 8.248 4.583 -2.568 1.00 13.42 C ATOM 69 O LYS A 6 7.226 3.937 -2.799 1.00 3.31 O ATOM 70 CB LYS A 6 7.594 5.817 -0.492 1.00 75.52 C ATOM 71 CG LYS A 6 8.371 4.856 0.391 1.00 13.02 C ATOM 72 CD LYS A 6 7.598 4.509 1.653 1.00 41.51 C ATOM 73 CE LYS A 6 8.062 3.188 2.245 1.00 22.43 C ATOM 74 NZ LYS A 6 7.656 3.046 3.671 1.00 23.20 N ATOM 0 HA LYS A 6 9.178 6.365 -1.839 1.00 52.12 H new ATOM 0 HB2 LYS A 6 7.576 6.799 -0.019 1.00 75.52 H new ATOM 0 HB3 LYS A 6 6.560 5.478 -0.562 1.00 75.52 H new ATOM 0 HG2 LYS A 6 8.589 3.944 -0.165 1.00 13.02 H new ATOM 0 HG3 LYS A 6 9.329 5.301 0.661 1.00 13.02 H new ATOM 0 HD2 LYS A 6 7.725 5.303 2.389 1.00 41.51 H new ATOM 0 HD3 LYS A 6 6.534 4.453 1.425 1.00 41.51 H new ATOM 0 HE2 LYS A 6 7.646 2.364 1.665 1.00 22.43 H new ATOM 0 HE3 LYS A 6 9.147 3.116 2.167 1.00 22.43 H new ATOM 0 HZ1 LYS A 6 7.991 2.132 4.038 1.00 23.20 H new ATOM 0 HZ2 LYS A 6 8.074 3.818 4.229 1.00 23.20 H new ATOM 0 HZ3 LYS A 6 6.619 3.089 3.743 1.00 23.20 H new ATOM 88 N GLU A 7 9.466 4.146 -2.871 1.00 31.11 N ATOM 89 CA GLU A 7 9.675 2.851 -3.508 1.00 43.23 C ATOM 90 C GLU A 7 9.046 2.821 -4.898 1.00 63.03 C ATOM 91 O GLU A 7 8.854 1.754 -5.482 1.00 61.42 O ATOM 92 CB GLU A 7 9.087 1.732 -2.646 1.00 3.31 C ATOM 93 CG GLU A 7 9.727 0.376 -2.890 1.00 72.21 C ATOM 94 CD GLU A 7 9.497 -0.592 -1.745 1.00 41.15 C ATOM 95 OE1 GLU A 7 8.344 -1.037 -1.568 1.00 73.01 O ATOM 96 OE2 GLU A 7 10.470 -0.904 -1.027 1.00 52.13 O ATOM 0 H GLU A 7 10.322 4.669 -2.686 1.00 31.11 H new ATOM 0 HA GLU A 7 10.749 2.694 -3.610 1.00 43.23 H new ATOM 0 HB2 GLU A 7 9.203 1.995 -1.595 1.00 3.31 H new ATOM 0 HB3 GLU A 7 8.017 1.660 -2.840 1.00 3.31 H new ATOM 0 HG2 GLU A 7 9.325 -0.051 -3.809 1.00 72.21 H new ATOM 0 HG3 GLU A 7 10.799 0.506 -3.041 1.00 72.21 H new ATOM 103 N LEU A 8 8.727 3.999 -5.422 1.00 41.23 N ATOM 104 CA LEU A 8 8.119 4.109 -6.744 1.00 11.33 C ATOM 105 C LEU A 8 8.806 5.192 -7.571 1.00 34.53 C ATOM 106 O LEU A 8 9.446 6.091 -7.026 1.00 63.23 O ATOM 107 CB LEU A 8 6.626 4.419 -6.616 1.00 4.33 C ATOM 108 CG LEU A 8 5.673 3.258 -6.898 1.00 60.24 C ATOM 109 CD1 LEU A 8 4.983 2.810 -5.619 1.00 41.12 C ATOM 110 CD2 LEU A 8 4.647 3.654 -7.950 1.00 15.14 C ATOM 0 H LEU A 8 8.879 4.892 -4.952 1.00 41.23 H new ATOM 0 HA LEU A 8 8.243 3.154 -7.255 1.00 11.33 H new ATOM 0 HB2 LEU A 8 6.436 4.782 -5.606 1.00 4.33 H new ATOM 0 HB3 LEU A 8 6.385 5.234 -7.298 1.00 4.33 H new ATOM 0 HG LEU A 8 6.255 2.421 -7.284 1.00 60.24 H new ATOM 0 HD11 LEU A 8 4.309 1.983 -5.840 1.00 41.12 H new ATOM 0 HD12 LEU A 8 5.732 2.485 -4.896 1.00 41.12 H new ATOM 0 HD13 LEU A 8 4.414 3.641 -5.203 1.00 41.12 H new ATOM 0 HD21 LEU A 8 3.977 2.815 -8.138 1.00 15.14 H new ATOM 0 HD22 LEU A 8 4.070 4.507 -7.592 1.00 15.14 H new ATOM 0 HD23 LEU A 8 5.159 3.924 -8.874 1.00 15.14 H new ATOM 122 N VAL A 9 8.666 5.100 -8.889 1.00 74.44 N ATOM 123 CA VAL A 9 9.269 6.072 -9.792 1.00 5.50 C ATOM 124 C VAL A 9 8.223 6.692 -10.712 1.00 65.31 C ATOM 125 O VAL A 9 7.333 6.002 -11.211 1.00 41.01 O ATOM 126 CB VAL A 9 10.376 5.431 -10.650 1.00 24.13 C ATOM 127 CG1 VAL A 9 11.420 4.766 -9.765 1.00 35.51 C ATOM 128 CG2 VAL A 9 9.779 4.431 -11.628 1.00 43.03 C ATOM 0 H VAL A 9 8.140 4.361 -9.356 1.00 74.44 H new ATOM 0 HA VAL A 9 9.708 6.851 -9.169 1.00 5.50 H new ATOM 0 HB VAL A 9 10.868 6.216 -11.224 1.00 24.13 H new ATOM 0 HG11 VAL A 9 12.194 4.319 -10.389 1.00 35.51 H new ATOM 0 HG12 VAL A 9 11.869 5.512 -9.109 1.00 35.51 H new ATOM 0 HG13 VAL A 9 10.946 3.991 -9.163 1.00 35.51 H new ATOM 0 HG21 VAL A 9 10.575 3.988 -12.226 1.00 43.03 H new ATOM 0 HG22 VAL A 9 9.260 3.647 -11.076 1.00 43.03 H new ATOM 0 HG23 VAL A 9 9.073 4.941 -12.284 1.00 43.03 H new ATOM 138 N LEU A 10 8.337 7.997 -10.934 1.00 33.45 N ATOM 139 CA LEU A 10 7.401 8.710 -11.795 1.00 54.51 C ATOM 140 C LEU A 10 8.103 9.240 -13.041 1.00 71.24 C ATOM 141 O LEU A 10 9.222 9.747 -12.967 1.00 72.44 O ATOM 142 CB LEU A 10 6.753 9.867 -11.031 1.00 24.43 C ATOM 143 CG LEU A 10 5.410 10.360 -11.570 1.00 63.44 C ATOM 144 CD1 LEU A 10 4.632 11.086 -10.484 1.00 24.52 C ATOM 145 CD2 LEU A 10 5.620 11.266 -12.775 1.00 33.41 C ATOM 0 H LEU A 10 9.068 8.582 -10.530 1.00 33.45 H new ATOM 0 HA LEU A 10 6.627 8.009 -12.106 1.00 54.51 H new ATOM 0 HB2 LEU A 10 6.615 9.559 -9.995 1.00 24.43 H new ATOM 0 HB3 LEU A 10 7.449 10.706 -11.024 1.00 24.43 H new ATOM 0 HG LEU A 10 4.828 9.495 -11.887 1.00 63.44 H new ATOM 0 HD11 LEU A 10 3.679 11.429 -10.887 1.00 24.52 H new ATOM 0 HD12 LEU A 10 4.450 10.407 -9.651 1.00 24.52 H new ATOM 0 HD13 LEU A 10 5.208 11.943 -10.135 1.00 24.52 H new ATOM 0 HD21 LEU A 10 4.654 11.608 -13.146 1.00 33.41 H new ATOM 0 HD22 LEU A 10 6.222 12.127 -12.483 1.00 33.41 H new ATOM 0 HD23 LEU A 10 6.135 10.713 -13.560 1.00 33.41 H new ATOM 157 N ALA A 11 7.437 9.120 -14.185 1.00 51.33 N ATOM 158 CA ALA A 11 7.995 9.590 -15.447 1.00 2.50 C ATOM 159 C ALA A 11 7.920 11.110 -15.548 1.00 3.20 C ATOM 160 O ALA A 11 6.858 11.704 -15.359 1.00 34.42 O ATOM 161 CB ALA A 11 7.269 8.945 -16.618 1.00 44.33 C ATOM 0 H ALA A 11 6.510 8.701 -14.264 1.00 51.33 H new ATOM 0 HA ALA A 11 9.045 9.301 -15.481 1.00 2.50 H new ATOM 0 HB1 ALA A 11 7.696 9.305 -17.554 1.00 44.33 H new ATOM 0 HB2 ALA A 11 7.379 7.862 -16.562 1.00 44.33 H new ATOM 0 HB3 ALA A 11 6.211 9.205 -16.578 1.00 44.33 H new ATOM 167 N LEU A 12 9.054 11.735 -15.846 1.00 51.14 N ATOM 168 CA LEU A 12 9.117 13.187 -15.972 1.00 11.21 C ATOM 169 C LEU A 12 9.014 13.612 -17.433 1.00 50.42 C ATOM 170 O LEU A 12 8.484 14.679 -17.744 1.00 14.21 O ATOM 171 CB LEU A 12 10.418 13.715 -15.366 1.00 4.22 C ATOM 172 CG LEU A 12 10.269 14.650 -14.165 1.00 32.53 C ATOM 173 CD1 LEU A 12 9.524 15.914 -14.562 1.00 15.32 C ATOM 174 CD2 LEU A 12 9.552 13.942 -13.024 1.00 72.43 C ATOM 0 H LEU A 12 9.942 11.259 -16.005 1.00 51.14 H new ATOM 0 HA LEU A 12 8.272 13.611 -15.429 1.00 11.21 H new ATOM 0 HB2 LEU A 12 11.027 12.863 -15.064 1.00 4.22 H new ATOM 0 HB3 LEU A 12 10.970 14.241 -16.144 1.00 4.22 H new ATOM 0 HG LEU A 12 11.265 14.932 -13.823 1.00 32.53 H new ATOM 0 HD11 LEU A 12 9.428 16.567 -13.695 1.00 15.32 H new ATOM 0 HD12 LEU A 12 10.077 16.431 -15.346 1.00 15.32 H new ATOM 0 HD13 LEU A 12 8.532 15.651 -14.930 1.00 15.32 H new ATOM 0 HD21 LEU A 12 9.455 14.622 -12.178 1.00 72.43 H new ATOM 0 HD22 LEU A 12 8.561 13.630 -13.355 1.00 72.43 H new ATOM 0 HD23 LEU A 12 10.126 13.066 -12.721 1.00 72.43 H new ATOM 186 N TYR A 13 9.522 12.770 -18.326 1.00 4.51 N ATOM 187 CA TYR A 13 9.488 13.059 -19.755 1.00 31.02 C ATOM 188 C TYR A 13 10.241 11.993 -20.544 1.00 61.42 C ATOM 189 O TYR A 13 10.891 12.290 -21.546 1.00 64.35 O ATOM 190 CB TYR A 13 10.091 14.437 -20.033 1.00 25.31 C ATOM 191 CG TYR A 13 11.346 14.720 -19.237 1.00 53.15 C ATOM 192 CD1 TYR A 13 12.514 14.004 -19.467 1.00 2.42 C ATOM 193 CD2 TYR A 13 11.362 15.705 -18.257 1.00 63.40 C ATOM 194 CE1 TYR A 13 13.662 14.260 -18.742 1.00 21.41 C ATOM 195 CE2 TYR A 13 12.506 15.968 -17.528 1.00 60.42 C ATOM 196 CZ TYR A 13 13.653 15.242 -17.774 1.00 1.21 C ATOM 197 OH TYR A 13 14.795 15.500 -17.051 1.00 11.44 O ATOM 0 H TYR A 13 9.962 11.882 -18.086 1.00 4.51 H new ATOM 0 HA TYR A 13 8.446 13.055 -20.076 1.00 31.02 H new ATOM 0 HB2 TYR A 13 10.319 14.517 -21.096 1.00 25.31 H new ATOM 0 HB3 TYR A 13 9.348 15.202 -19.808 1.00 25.31 H new ATOM 0 HD1 TYR A 13 12.525 13.235 -20.225 1.00 2.42 H new ATOM 0 HD2 TYR A 13 10.465 16.274 -18.062 1.00 63.40 H new ATOM 0 HE1 TYR A 13 14.562 13.694 -18.932 1.00 21.41 H new ATOM 0 HE2 TYR A 13 12.502 16.737 -16.770 1.00 60.42 H new ATOM 0 HH TYR A 13 14.621 16.221 -16.411 1.00 11.44 H new ATOM 207 N ASP A 14 10.147 10.750 -20.085 1.00 23.31 N ATOM 208 CA ASP A 14 10.818 9.637 -20.748 1.00 14.02 C ATOM 209 C ASP A 14 10.312 9.472 -22.178 1.00 1.14 C ATOM 210 O ASP A 14 10.984 9.862 -23.133 1.00 72.21 O ATOM 211 CB ASP A 14 10.599 8.342 -19.964 1.00 2.02 C ATOM 212 CG ASP A 14 11.830 7.922 -19.185 1.00 1.23 C ATOM 213 OD1 ASP A 14 12.907 7.786 -19.803 1.00 54.35 O ATOM 214 OD2 ASP A 14 11.717 7.730 -17.956 1.00 42.41 O ATOM 0 H ASP A 14 9.613 10.487 -19.257 1.00 23.31 H new ATOM 0 HA ASP A 14 11.885 9.856 -20.782 1.00 14.02 H new ATOM 0 HB2 ASP A 14 9.764 8.474 -19.275 1.00 2.02 H new ATOM 0 HB3 ASP A 14 10.320 7.546 -20.654 1.00 2.02 H new ATOM 219 N TYR A 15 9.126 8.891 -22.317 1.00 14.53 N ATOM 220 CA TYR A 15 8.532 8.672 -23.630 1.00 74.40 C ATOM 221 C TYR A 15 9.530 8.011 -24.576 1.00 1.50 C ATOM 222 O TYR A 15 9.959 8.613 -25.561 1.00 34.34 O ATOM 223 CB TYR A 15 8.049 9.996 -24.223 1.00 43.42 C ATOM 224 CG TYR A 15 6.988 9.833 -25.288 1.00 24.40 C ATOM 225 CD1 TYR A 15 5.679 9.513 -24.949 1.00 44.23 C ATOM 226 CD2 TYR A 15 7.295 9.998 -26.633 1.00 41.31 C ATOM 227 CE1 TYR A 15 4.707 9.362 -25.919 1.00 23.20 C ATOM 228 CE2 TYR A 15 6.329 9.850 -27.610 1.00 1.45 C ATOM 229 CZ TYR A 15 5.037 9.532 -27.248 1.00 31.45 C ATOM 230 OH TYR A 15 4.071 9.383 -28.216 1.00 41.14 O ATOM 0 H TYR A 15 8.557 8.563 -21.537 1.00 14.53 H new ATOM 0 HA TYR A 15 7.679 8.005 -23.507 1.00 74.40 H new ATOM 0 HB2 TYR A 15 7.654 10.620 -23.422 1.00 43.42 H new ATOM 0 HB3 TYR A 15 8.901 10.526 -24.649 1.00 43.42 H new ATOM 0 HD1 TYR A 15 5.417 9.380 -23.910 1.00 44.23 H new ATOM 0 HD2 TYR A 15 8.306 10.246 -26.920 1.00 41.31 H new ATOM 0 HE1 TYR A 15 3.694 9.112 -25.639 1.00 23.20 H new ATOM 0 HE2 TYR A 15 6.584 9.983 -28.651 1.00 1.45 H new ATOM 0 HH TYR A 15 4.467 9.537 -29.099 1.00 41.14 H new ATOM 240 N GLN A 16 9.895 6.771 -24.269 1.00 31.11 N ATOM 241 CA GLN A 16 10.843 6.028 -25.091 1.00 52.32 C ATOM 242 C GLN A 16 10.427 4.566 -25.216 1.00 54.41 C ATOM 243 O GLN A 16 10.281 3.866 -24.215 1.00 74.32 O ATOM 244 CB GLN A 16 12.249 6.121 -24.496 1.00 51.50 C ATOM 245 CG GLN A 16 13.318 6.482 -25.515 1.00 21.41 C ATOM 246 CD GLN A 16 14.722 6.241 -24.997 1.00 4.32 C ATOM 247 OE1 GLN A 16 14.928 6.035 -23.800 1.00 44.44 O ATOM 248 NE2 GLN A 16 15.698 6.266 -25.897 1.00 41.12 N ATOM 0 H GLN A 16 9.549 6.259 -23.457 1.00 31.11 H new ATOM 0 HA GLN A 16 10.847 6.472 -26.087 1.00 52.32 H new ATOM 0 HB2 GLN A 16 12.250 6.867 -23.701 1.00 51.50 H new ATOM 0 HB3 GLN A 16 12.504 5.166 -24.037 1.00 51.50 H new ATOM 0 HG2 GLN A 16 13.164 5.896 -26.421 1.00 21.41 H new ATOM 0 HG3 GLN A 16 13.212 7.531 -25.791 1.00 21.41 H new ATOM 0 HE21 GLN A 16 15.482 6.440 -26.879 1.00 41.12 H new ATOM 0 HE22 GLN A 16 16.663 6.111 -25.607 1.00 41.12 H new ATOM 257 N GLU A 17 10.237 4.114 -26.452 1.00 30.45 N ATOM 258 CA GLU A 17 9.836 2.735 -26.706 1.00 22.21 C ATOM 259 C GLU A 17 10.654 2.132 -27.845 1.00 33.13 C ATOM 260 O GLU A 17 10.266 2.208 -29.011 1.00 20.22 O ATOM 261 CB GLU A 17 8.345 2.668 -27.043 1.00 21.43 C ATOM 262 CG GLU A 17 7.905 1.320 -27.590 1.00 13.14 C ATOM 263 CD GLU A 17 6.432 1.047 -27.352 1.00 41.22 C ATOM 264 OE1 GLU A 17 5.600 1.571 -28.122 1.00 34.44 O ATOM 265 OE2 GLU A 17 6.113 0.309 -26.396 1.00 53.45 O ATOM 0 H GLU A 17 10.354 4.681 -27.291 1.00 30.45 H new ATOM 0 HA GLU A 17 10.023 2.156 -25.801 1.00 22.21 H new ATOM 0 HB2 GLU A 17 7.768 2.893 -26.146 1.00 21.43 H new ATOM 0 HB3 GLU A 17 8.111 3.441 -27.775 1.00 21.43 H new ATOM 0 HG2 GLU A 17 8.110 1.282 -28.660 1.00 13.14 H new ATOM 0 HG3 GLU A 17 8.497 0.532 -27.124 1.00 13.14 H new ATOM 272 N LYS A 18 11.788 1.533 -27.498 1.00 40.11 N ATOM 273 CA LYS A 18 12.662 0.916 -28.489 1.00 33.21 C ATOM 274 C LYS A 18 13.267 -0.377 -27.951 1.00 15.01 C ATOM 275 O LYS A 18 14.330 -0.809 -28.397 1.00 13.53 O ATOM 276 CB LYS A 18 13.776 1.885 -28.890 1.00 64.42 C ATOM 277 CG LYS A 18 14.359 1.606 -30.265 1.00 72.30 C ATOM 278 CD LYS A 18 15.687 2.317 -30.462 1.00 62.45 C ATOM 279 CE LYS A 18 15.682 3.168 -31.723 1.00 71.42 C ATOM 280 NZ LYS A 18 15.158 4.538 -31.465 1.00 62.55 N ATOM 0 H LYS A 18 12.124 1.462 -26.537 1.00 40.11 H new ATOM 0 HA LYS A 18 12.063 0.678 -29.368 1.00 33.21 H new ATOM 0 HB2 LYS A 18 13.386 2.903 -28.870 1.00 64.42 H new ATOM 0 HB3 LYS A 18 14.574 1.835 -28.149 1.00 64.42 H new ATOM 0 HG2 LYS A 18 14.498 0.532 -30.391 1.00 72.30 H new ATOM 0 HG3 LYS A 18 13.655 1.929 -31.032 1.00 72.30 H new ATOM 0 HD2 LYS A 18 15.895 2.947 -29.597 1.00 62.45 H new ATOM 0 HD3 LYS A 18 16.489 1.582 -30.521 1.00 62.45 H new ATOM 0 HE2 LYS A 18 16.695 3.235 -32.120 1.00 71.42 H new ATOM 0 HE3 LYS A 18 15.072 2.684 -32.486 1.00 71.42 H new ATOM 0 HZ1 LYS A 18 15.171 5.087 -32.348 1.00 62.55 H new ATOM 0 HZ2 LYS A 18 14.182 4.475 -31.110 1.00 62.55 H new ATOM 0 HZ3 LYS A 18 15.755 5.010 -30.756 1.00 62.55 H new ATOM 294 N SER A 19 12.582 -0.991 -26.991 1.00 74.15 N ATOM 295 CA SER A 19 13.053 -2.234 -26.391 1.00 51.34 C ATOM 296 C SER A 19 11.903 -3.220 -26.211 1.00 63.44 C ATOM 297 O SER A 19 10.730 -2.849 -26.195 1.00 35.04 O ATOM 298 CB SER A 19 13.716 -1.953 -25.041 1.00 74.52 C ATOM 299 OG SER A 19 15.108 -2.211 -25.093 1.00 41.34 O ATOM 0 H SER A 19 11.699 -0.648 -26.612 1.00 74.15 H new ATOM 0 HA SER A 19 13.787 -2.679 -27.063 1.00 51.34 H new ATOM 0 HB2 SER A 19 13.546 -0.914 -24.758 1.00 74.52 H new ATOM 0 HB3 SER A 19 13.257 -2.573 -24.271 1.00 74.52 H new ATOM 0 HG SER A 19 15.509 -2.022 -24.219 1.00 41.34 H new ATOM 305 N PRO A 20 12.247 -4.509 -26.074 1.00 22.55 N ATOM 306 CA PRO A 20 11.259 -5.577 -25.892 1.00 23.22 C ATOM 307 C PRO A 20 10.579 -5.511 -24.529 1.00 32.51 C ATOM 308 O PRO A 20 9.353 -5.581 -24.432 1.00 64.25 O ATOM 309 CB PRO A 20 12.093 -6.856 -26.012 1.00 54.43 C ATOM 310 CG PRO A 20 13.472 -6.447 -25.624 1.00 35.03 C ATOM 311 CD PRO A 20 13.627 -5.024 -26.084 1.00 11.11 C ATOM 0 HA PRO A 20 10.448 -5.510 -26.618 1.00 23.22 H new ATOM 0 HB2 PRO A 20 11.713 -7.639 -25.356 1.00 54.43 H new ATOM 0 HB3 PRO A 20 12.068 -7.251 -27.028 1.00 54.43 H new ATOM 0 HG2 PRO A 20 13.614 -6.526 -24.546 1.00 35.03 H new ATOM 0 HG3 PRO A 20 14.216 -7.092 -26.092 1.00 35.03 H new ATOM 0 HD2 PRO A 20 14.273 -4.454 -25.416 1.00 11.11 H new ATOM 0 HD3 PRO A 20 14.069 -4.969 -27.079 1.00 11.11 H new ATOM 319 N ARG A 21 11.381 -5.376 -23.478 1.00 30.41 N ATOM 320 CA ARG A 21 10.855 -5.302 -22.120 1.00 63.01 C ATOM 321 C ARG A 21 10.550 -3.858 -21.734 1.00 3.34 C ATOM 322 O ARG A 21 9.738 -3.602 -20.846 1.00 12.42 O ATOM 323 CB ARG A 21 11.853 -5.906 -21.130 1.00 60.23 C ATOM 324 CG ARG A 21 12.414 -7.248 -21.573 1.00 54.21 C ATOM 325 CD ARG A 21 13.912 -7.171 -21.823 1.00 13.40 C ATOM 326 NE ARG A 21 14.469 -8.462 -22.215 1.00 75.42 N ATOM 327 CZ ARG A 21 15.772 -8.703 -22.309 1.00 75.03 C ATOM 328 NH1 ARG A 21 16.647 -7.744 -22.040 1.00 61.44 N ATOM 329 NH2 ARG A 21 16.201 -9.905 -22.673 1.00 0.25 N ATOM 0 H ARG A 21 12.397 -5.316 -23.541 1.00 30.41 H new ATOM 0 HA ARG A 21 9.928 -5.874 -22.084 1.00 63.01 H new ATOM 0 HB2 ARG A 21 12.677 -5.207 -20.986 1.00 60.23 H new ATOM 0 HB3 ARG A 21 11.365 -6.027 -20.163 1.00 60.23 H new ATOM 0 HG2 ARG A 21 12.210 -7.999 -20.810 1.00 54.21 H new ATOM 0 HG3 ARG A 21 11.909 -7.572 -22.483 1.00 54.21 H new ATOM 0 HD2 ARG A 21 14.112 -6.438 -22.605 1.00 13.40 H new ATOM 0 HD3 ARG A 21 14.412 -6.819 -20.921 1.00 13.40 H new ATOM 0 HE ARG A 21 13.822 -9.221 -22.429 1.00 75.42 H new ATOM 0 HH11 ARG A 21 16.320 -6.819 -21.760 1.00 61.44 H new ATOM 0 HH12 ARG A 21 17.647 -7.931 -22.113 1.00 61.44 H new ATOM 0 HH21 ARG A 21 15.530 -10.645 -22.881 1.00 0.25 H new ATOM 0 HH22 ARG A 21 17.202 -10.089 -22.745 1.00 0.25 H new ATOM 343 N GLU A 22 11.208 -2.919 -22.406 1.00 44.24 N ATOM 344 CA GLU A 22 11.008 -1.501 -22.132 1.00 10.23 C ATOM 345 C GLU A 22 9.818 -0.957 -22.917 1.00 71.32 C ATOM 346 O GLU A 22 9.366 -1.570 -23.884 1.00 72.53 O ATOM 347 CB GLU A 22 12.269 -0.708 -22.481 1.00 51.33 C ATOM 348 CG GLU A 22 12.541 0.451 -21.537 1.00 34.15 C ATOM 349 CD GLU A 22 14.002 0.855 -21.514 1.00 21.44 C ATOM 350 OE1 GLU A 22 14.830 0.114 -22.084 1.00 44.33 O ATOM 351 OE2 GLU A 22 14.318 1.910 -20.925 1.00 74.23 O ATOM 0 H GLU A 22 11.884 -3.115 -23.144 1.00 44.24 H new ATOM 0 HA GLU A 22 10.800 -1.389 -21.068 1.00 10.23 H new ATOM 0 HB2 GLU A 22 13.126 -1.382 -22.472 1.00 51.33 H new ATOM 0 HB3 GLU A 22 12.177 -0.324 -23.497 1.00 51.33 H new ATOM 0 HG2 GLU A 22 11.936 1.307 -21.835 1.00 34.15 H new ATOM 0 HG3 GLU A 22 12.228 0.175 -20.530 1.00 34.15 H new ATOM 358 N VAL A 23 9.315 0.198 -22.494 1.00 34.23 N ATOM 359 CA VAL A 23 8.178 0.825 -23.157 1.00 14.23 C ATOM 360 C VAL A 23 8.219 2.341 -23.001 1.00 53.20 C ATOM 361 O VAL A 23 8.987 2.874 -22.199 1.00 54.21 O ATOM 362 CB VAL A 23 6.842 0.299 -22.599 1.00 20.14 C ATOM 363 CG1 VAL A 23 6.578 -1.116 -23.091 1.00 10.03 C ATOM 364 CG2 VAL A 23 6.842 0.352 -21.078 1.00 44.03 C ATOM 0 H VAL A 23 9.677 0.719 -21.695 1.00 34.23 H new ATOM 0 HA VAL A 23 8.248 0.569 -24.214 1.00 14.23 H new ATOM 0 HB VAL A 23 6.039 0.940 -22.962 1.00 20.14 H new ATOM 0 HG11 VAL A 23 5.630 -1.471 -22.687 1.00 10.03 H new ATOM 0 HG12 VAL A 23 6.532 -1.120 -24.180 1.00 10.03 H new ATOM 0 HG13 VAL A 23 7.382 -1.773 -22.759 1.00 10.03 H new ATOM 0 HG21 VAL A 23 5.891 -0.023 -20.701 1.00 44.03 H new ATOM 0 HG22 VAL A 23 7.654 -0.265 -20.692 1.00 44.03 H new ATOM 0 HG23 VAL A 23 6.982 1.382 -20.750 1.00 44.03 H new ATOM 374 N THR A 24 7.386 3.033 -23.773 1.00 65.24 N ATOM 375 CA THR A 24 7.328 4.488 -23.722 1.00 54.14 C ATOM 376 C THR A 24 6.295 4.961 -22.706 1.00 54.32 C ATOM 377 O THR A 24 5.246 4.340 -22.538 1.00 72.21 O ATOM 378 CB THR A 24 6.986 5.085 -25.101 1.00 1.23 C ATOM 379 OG1 THR A 24 6.828 6.504 -24.994 1.00 51.42 O ATOM 380 CG2 THR A 24 5.712 4.468 -25.657 1.00 53.10 C ATOM 0 H THR A 24 6.742 2.608 -24.441 1.00 65.24 H new ATOM 0 HA THR A 24 8.316 4.834 -23.419 1.00 54.14 H new ATOM 0 HB THR A 24 7.806 4.861 -25.783 1.00 1.23 H new ATOM 0 HG1 THR A 24 6.612 6.876 -25.874 1.00 51.42 H new ATOM 0 HG21 THR A 24 5.491 4.905 -26.631 1.00 53.10 H new ATOM 0 HG22 THR A 24 5.846 3.392 -25.764 1.00 53.10 H new ATOM 0 HG23 THR A 24 4.885 4.665 -24.975 1.00 53.10 H new ATOM 388 N MET A 25 6.598 6.065 -22.031 1.00 52.34 N ATOM 389 CA MET A 25 5.693 6.623 -21.032 1.00 62.45 C ATOM 390 C MET A 25 5.638 8.143 -21.138 1.00 15.44 C ATOM 391 O MET A 25 6.663 8.802 -21.309 1.00 4.35 O ATOM 392 CB MET A 25 6.137 6.213 -19.627 1.00 35.23 C ATOM 393 CG MET A 25 5.061 5.483 -18.839 1.00 13.33 C ATOM 394 SD MET A 25 4.728 3.832 -19.482 1.00 23.23 S ATOM 395 CE MET A 25 4.710 2.876 -17.967 1.00 5.10 C ATOM 0 H MET A 25 7.463 6.591 -22.157 1.00 52.34 H new ATOM 0 HA MET A 25 4.695 6.228 -21.220 1.00 62.45 H new ATOM 0 HB2 MET A 25 7.016 5.573 -19.705 1.00 35.23 H new ATOM 0 HB3 MET A 25 6.439 7.104 -19.076 1.00 35.23 H new ATOM 0 HG2 MET A 25 5.369 5.407 -17.796 1.00 13.33 H new ATOM 0 HG3 MET A 25 4.142 6.068 -18.859 1.00 13.33 H new ATOM 0 HE1 MET A 25 4.036 2.027 -18.081 1.00 5.10 H new ATOM 0 HE2 MET A 25 5.716 2.515 -17.753 1.00 5.10 H new ATOM 0 HE3 MET A 25 4.367 3.504 -17.145 1.00 5.10 H new ATOM 405 N LYS A 26 4.433 8.695 -21.035 1.00 3.43 N ATOM 406 CA LYS A 26 4.243 10.139 -21.117 1.00 61.41 C ATOM 407 C LYS A 26 4.494 10.799 -19.765 1.00 64.41 C ATOM 408 O LYS A 26 4.113 10.266 -18.722 1.00 44.53 O ATOM 409 CB LYS A 26 2.826 10.460 -21.598 1.00 44.42 C ATOM 410 CG LYS A 26 2.713 11.802 -22.301 1.00 12.10 C ATOM 411 CD LYS A 26 1.306 12.040 -22.824 1.00 42.21 C ATOM 412 CE LYS A 26 0.420 12.682 -21.768 1.00 32.13 C ATOM 413 NZ LYS A 26 -0.991 12.806 -22.228 1.00 61.12 N ATOM 0 H LYS A 26 3.573 8.164 -20.895 1.00 3.43 H new ATOM 0 HA LYS A 26 4.963 10.535 -21.833 1.00 61.41 H new ATOM 0 HB2 LYS A 26 2.495 9.674 -22.277 1.00 44.42 H new ATOM 0 HB3 LYS A 26 2.150 10.449 -20.743 1.00 44.42 H new ATOM 0 HG2 LYS A 26 2.985 12.600 -21.610 1.00 12.10 H new ATOM 0 HG3 LYS A 26 3.421 11.841 -23.128 1.00 12.10 H new ATOM 0 HD2 LYS A 26 1.348 12.681 -23.704 1.00 42.21 H new ATOM 0 HD3 LYS A 26 0.869 11.093 -23.140 1.00 42.21 H new ATOM 0 HE2 LYS A 26 0.453 12.087 -20.855 1.00 32.13 H new ATOM 0 HE3 LYS A 26 0.809 13.669 -21.519 1.00 32.13 H new ATOM 0 HZ1 LYS A 26 -1.562 13.248 -21.480 1.00 61.12 H new ATOM 0 HZ2 LYS A 26 -1.026 13.395 -23.084 1.00 61.12 H new ATOM 0 HZ3 LYS A 26 -1.371 11.862 -22.441 1.00 61.12 H new ATOM 427 N LYS A 27 5.137 11.961 -19.790 1.00 12.52 N ATOM 428 CA LYS A 27 5.437 12.696 -18.567 1.00 12.52 C ATOM 429 C LYS A 27 4.211 12.771 -17.662 1.00 21.51 C ATOM 430 O LYS A 27 3.115 13.101 -18.112 1.00 33.24 O ATOM 431 CB LYS A 27 5.922 14.108 -18.902 1.00 44.51 C ATOM 432 CG LYS A 27 4.883 14.956 -19.615 1.00 12.02 C ATOM 433 CD LYS A 27 5.446 16.309 -20.016 1.00 63.24 C ATOM 434 CE LYS A 27 4.405 17.409 -19.878 1.00 45.34 C ATOM 435 NZ LYS A 27 4.938 18.733 -20.303 1.00 44.35 N ATOM 0 H LYS A 27 5.461 12.414 -20.644 1.00 12.52 H new ATOM 0 HA LYS A 27 6.226 12.163 -18.037 1.00 12.52 H new ATOM 0 HB2 LYS A 27 6.218 14.610 -17.980 1.00 44.51 H new ATOM 0 HB3 LYS A 27 6.812 14.038 -19.527 1.00 44.51 H new ATOM 0 HG2 LYS A 27 4.530 14.430 -20.502 1.00 12.02 H new ATOM 0 HG3 LYS A 27 4.020 15.098 -18.965 1.00 12.02 H new ATOM 0 HD2 LYS A 27 6.310 16.544 -19.394 1.00 63.24 H new ATOM 0 HD3 LYS A 27 5.798 16.267 -21.047 1.00 63.24 H new ATOM 0 HE2 LYS A 27 3.531 17.159 -20.479 1.00 45.34 H new ATOM 0 HE3 LYS A 27 4.073 17.467 -18.841 1.00 45.34 H new ATOM 0 HZ1 LYS A 27 4.199 19.456 -20.194 1.00 44.35 H new ATOM 0 HZ2 LYS A 27 5.757 18.983 -19.713 1.00 44.35 H new ATOM 0 HZ3 LYS A 27 5.231 18.685 -21.300 1.00 44.35 H new ATOM 449 N GLY A 28 4.405 12.462 -16.383 1.00 44.12 N ATOM 450 CA GLY A 28 3.307 12.501 -15.435 1.00 40.35 C ATOM 451 C GLY A 28 2.830 11.117 -15.044 1.00 15.12 C ATOM 452 O GLY A 28 2.207 10.941 -13.996 1.00 51.13 O ATOM 0 H GLY A 28 5.303 12.185 -15.987 1.00 44.12 H new ATOM 0 HA2 GLY A 28 3.622 13.040 -14.541 1.00 40.35 H new ATOM 0 HA3 GLY A 28 2.477 13.059 -15.868 1.00 40.35 H new ATOM 456 N ASP A 29 3.120 10.132 -15.887 1.00 13.41 N ATOM 457 CA ASP A 29 2.715 8.756 -15.624 1.00 2.33 C ATOM 458 C ASP A 29 3.427 8.207 -14.391 1.00 71.12 C ATOM 459 O ASP A 29 4.493 8.691 -14.011 1.00 1.42 O ATOM 460 CB ASP A 29 3.014 7.873 -16.836 1.00 40.54 C ATOM 461 CG ASP A 29 1.788 7.636 -17.696 1.00 11.02 C ATOM 462 OD1 ASP A 29 1.533 8.454 -18.605 1.00 32.40 O ATOM 463 OD2 ASP A 29 1.084 6.632 -17.460 1.00 11.11 O ATOM 0 H ASP A 29 3.634 10.261 -16.758 1.00 13.41 H new ATOM 0 HA ASP A 29 1.641 8.749 -15.436 1.00 2.33 H new ATOM 0 HB2 ASP A 29 3.793 8.340 -17.439 1.00 40.54 H new ATOM 0 HB3 ASP A 29 3.406 6.915 -16.496 1.00 40.54 H new ATOM 468 N ILE A 30 2.830 7.194 -13.772 1.00 13.53 N ATOM 469 CA ILE A 30 3.407 6.580 -12.583 1.00 33.14 C ATOM 470 C ILE A 30 3.919 5.175 -12.883 1.00 51.42 C ATOM 471 O ILE A 30 3.217 4.363 -13.487 1.00 21.44 O ATOM 472 CB ILE A 30 2.383 6.506 -11.434 1.00 43.10 C ATOM 473 CG1 ILE A 30 1.175 5.665 -11.852 1.00 1.34 C ATOM 474 CG2 ILE A 30 1.946 7.904 -11.024 1.00 1.34 C ATOM 475 CD1 ILE A 30 1.113 4.317 -11.169 1.00 73.34 C ATOM 0 H ILE A 30 1.947 6.781 -14.074 1.00 13.53 H new ATOM 0 HA ILE A 30 4.241 7.211 -12.276 1.00 33.14 H new ATOM 0 HB ILE A 30 2.855 6.028 -10.576 1.00 43.10 H new ATOM 0 HG12 ILE A 30 0.263 6.218 -11.630 1.00 1.34 H new ATOM 0 HG13 ILE A 30 1.202 5.516 -12.931 1.00 1.34 H new ATOM 0 HG21 ILE A 30 1.223 7.835 -10.211 1.00 1.34 H new ATOM 0 HG22 ILE A 30 2.814 8.473 -10.690 1.00 1.34 H new ATOM 0 HG23 ILE A 30 1.488 8.407 -11.876 1.00 1.34 H new ATOM 0 HD11 ILE A 30 0.232 3.775 -11.513 1.00 73.34 H new ATOM 0 HD12 ILE A 30 2.008 3.745 -11.412 1.00 73.34 H new ATOM 0 HD13 ILE A 30 1.054 4.458 -10.090 1.00 73.34 H new ATOM 487 N LEU A 31 5.146 4.895 -12.457 1.00 54.33 N ATOM 488 CA LEU A 31 5.752 3.587 -12.679 1.00 4.32 C ATOM 489 C LEU A 31 6.134 2.933 -11.355 1.00 30.21 C ATOM 490 O LEU A 31 6.675 3.584 -10.460 1.00 52.04 O ATOM 491 CB LEU A 31 6.989 3.721 -13.570 1.00 13.13 C ATOM 492 CG LEU A 31 6.787 3.400 -15.051 1.00 34.41 C ATOM 493 CD1 LEU A 31 7.468 4.444 -15.922 1.00 31.15 C ATOM 494 CD2 LEU A 31 7.314 2.009 -15.372 1.00 21.34 C ATOM 0 H LEU A 31 5.740 5.556 -11.956 1.00 54.33 H new ATOM 0 HA LEU A 31 5.019 2.954 -13.178 1.00 4.32 H new ATOM 0 HB2 LEU A 31 7.363 4.742 -13.488 1.00 13.13 H new ATOM 0 HB3 LEU A 31 7.766 3.065 -13.179 1.00 13.13 H new ATOM 0 HG LEU A 31 5.718 3.420 -15.264 1.00 34.41 H new ATOM 0 HD11 LEU A 31 7.313 4.198 -16.973 1.00 31.15 H new ATOM 0 HD12 LEU A 31 7.043 5.426 -15.712 1.00 31.15 H new ATOM 0 HD13 LEU A 31 8.536 4.457 -15.706 1.00 31.15 H new ATOM 0 HD21 LEU A 31 7.162 1.798 -16.430 1.00 21.34 H new ATOM 0 HD22 LEU A 31 8.378 1.961 -15.142 1.00 21.34 H new ATOM 0 HD23 LEU A 31 6.780 1.271 -14.774 1.00 21.34 H new ATOM 506 N THR A 32 5.851 1.639 -11.237 1.00 13.33 N ATOM 507 CA THR A 32 6.165 0.896 -10.023 1.00 72.22 C ATOM 508 C THR A 32 7.339 -0.050 -10.246 1.00 44.12 C ATOM 509 O THR A 32 7.515 -0.591 -11.339 1.00 30.45 O ATOM 510 CB THR A 32 4.952 0.083 -9.533 1.00 31.15 C ATOM 511 OG1 THR A 32 3.739 0.780 -9.837 1.00 50.44 O ATOM 512 CG2 THR A 32 5.037 -0.165 -8.034 1.00 62.41 C ATOM 0 H THR A 32 5.405 1.084 -11.968 1.00 13.33 H new ATOM 0 HA THR A 32 6.432 1.630 -9.263 1.00 72.22 H new ATOM 0 HB THR A 32 4.956 -0.879 -10.046 1.00 31.15 H new ATOM 0 HG1 THR A 32 2.973 0.255 -9.524 1.00 50.44 H new ATOM 0 HG21 THR A 32 4.170 -0.741 -7.711 1.00 62.41 H new ATOM 0 HG22 THR A 32 5.947 -0.721 -7.808 1.00 62.41 H new ATOM 0 HG23 THR A 32 5.055 0.789 -7.508 1.00 62.41 H new ATOM 520 N LEU A 33 8.141 -0.245 -9.205 1.00 61.53 N ATOM 521 CA LEU A 33 9.300 -1.128 -9.287 1.00 41.34 C ATOM 522 C LEU A 33 9.255 -2.189 -8.193 1.00 3.25 C ATOM 523 O LEU A 33 8.912 -1.899 -7.046 1.00 1.24 O ATOM 524 CB LEU A 33 10.592 -0.317 -9.175 1.00 1.42 C ATOM 525 CG LEU A 33 10.865 0.672 -10.309 1.00 12.32 C ATOM 526 CD1 LEU A 33 12.231 1.317 -10.138 1.00 3.35 C ATOM 527 CD2 LEU A 33 10.767 -0.024 -11.658 1.00 52.34 C ATOM 0 H LEU A 33 8.010 0.196 -8.295 1.00 61.53 H new ATOM 0 HA LEU A 33 9.276 -1.630 -10.254 1.00 41.34 H new ATOM 0 HB2 LEU A 33 10.570 0.235 -8.236 1.00 1.42 H new ATOM 0 HB3 LEU A 33 11.430 -1.012 -9.117 1.00 1.42 H new ATOM 0 HG LEU A 33 10.109 1.456 -10.271 1.00 12.32 H new ATOM 0 HD11 LEU A 33 12.407 2.017 -10.954 1.00 3.35 H new ATOM 0 HD12 LEU A 33 12.265 1.851 -9.188 1.00 3.35 H new ATOM 0 HD13 LEU A 33 13.001 0.546 -10.149 1.00 3.35 H new ATOM 0 HD21 LEU A 33 10.964 0.695 -12.453 1.00 52.34 H new ATOM 0 HD22 LEU A 33 11.500 -0.829 -11.706 1.00 52.34 H new ATOM 0 HD23 LEU A 33 9.766 -0.437 -11.782 1.00 52.34 H new ATOM 539 N LEU A 34 9.606 -3.418 -8.553 1.00 21.31 N ATOM 540 CA LEU A 34 9.608 -4.523 -7.601 1.00 24.54 C ATOM 541 C LEU A 34 10.842 -4.468 -6.705 1.00 14.43 C ATOM 542 O LEU A 34 10.827 -4.966 -5.580 1.00 13.30 O ATOM 543 CB LEU A 34 9.562 -5.861 -8.341 1.00 63.04 C ATOM 544 CG LEU A 34 9.543 -7.114 -7.465 1.00 12.44 C ATOM 545 CD1 LEU A 34 8.142 -7.703 -7.407 1.00 62.45 C ATOM 546 CD2 LEU A 34 10.536 -8.143 -7.983 1.00 63.00 C ATOM 0 H LEU A 34 9.893 -3.675 -9.497 1.00 21.31 H new ATOM 0 HA LEU A 34 8.721 -4.431 -6.974 1.00 24.54 H new ATOM 0 HB2 LEU A 34 8.675 -5.872 -8.975 1.00 63.04 H new ATOM 0 HB3 LEU A 34 10.427 -5.917 -9.002 1.00 63.04 H new ATOM 0 HG LEU A 34 9.838 -6.832 -6.454 1.00 12.44 H new ATOM 0 HD11 LEU A 34 8.148 -8.594 -6.779 1.00 62.45 H new ATOM 0 HD12 LEU A 34 7.455 -6.968 -6.987 1.00 62.45 H new ATOM 0 HD13 LEU A 34 7.818 -7.970 -8.413 1.00 62.45 H new ATOM 0 HD21 LEU A 34 10.508 -9.028 -7.347 1.00 63.00 H new ATOM 0 HD22 LEU A 34 10.273 -8.421 -9.003 1.00 63.00 H new ATOM 0 HD23 LEU A 34 11.540 -7.718 -7.970 1.00 63.00 H new ATOM 558 N ASN A 35 11.907 -3.856 -7.211 1.00 44.21 N ATOM 559 CA ASN A 35 13.149 -3.733 -6.456 1.00 31.12 C ATOM 560 C ASN A 35 13.973 -2.549 -6.952 1.00 60.15 C ATOM 561 O ASN A 35 14.198 -2.396 -8.153 1.00 31.20 O ATOM 562 CB ASN A 35 13.967 -5.021 -6.567 1.00 64.00 C ATOM 563 CG ASN A 35 15.077 -5.092 -5.536 1.00 43.51 C ATOM 564 OD1 ASN A 35 14.926 -5.716 -4.486 1.00 72.53 O ATOM 565 ND2 ASN A 35 16.201 -4.449 -5.832 1.00 0.31 N ATOM 0 H ASN A 35 11.935 -3.437 -8.141 1.00 44.21 H new ATOM 0 HA ASN A 35 12.894 -3.562 -5.410 1.00 31.12 H new ATOM 0 HB2 ASN A 35 13.306 -5.879 -6.445 1.00 64.00 H new ATOM 0 HB3 ASN A 35 14.398 -5.090 -7.566 1.00 64.00 H new ATOM 0 HD21 ASN A 35 16.983 -4.460 -5.177 1.00 0.31 H new ATOM 0 HD22 ASN A 35 16.282 -3.944 -6.715 1.00 0.31 H new ATOM 572 N SER A 36 14.421 -1.714 -6.020 1.00 61.42 N ATOM 573 CA SER A 36 15.218 -0.542 -6.363 1.00 32.11 C ATOM 574 C SER A 36 16.330 -0.324 -5.342 1.00 3.11 C ATOM 575 O SER A 36 16.084 0.135 -4.226 1.00 24.44 O ATOM 576 CB SER A 36 14.329 0.701 -6.439 1.00 33.43 C ATOM 577 OG SER A 36 14.901 1.687 -7.280 1.00 4.05 O ATOM 0 H SER A 36 14.246 -1.827 -5.022 1.00 61.42 H new ATOM 0 HA SER A 36 15.673 -0.715 -7.338 1.00 32.11 H new ATOM 0 HB2 SER A 36 13.344 0.425 -6.815 1.00 33.43 H new ATOM 0 HB3 SER A 36 14.185 1.111 -5.439 1.00 33.43 H new ATOM 0 HG SER A 36 14.313 2.470 -7.313 1.00 4.05 H new ATOM 583 N THR A 37 17.557 -0.656 -5.732 1.00 70.04 N ATOM 584 CA THR A 37 18.708 -0.498 -4.853 1.00 21.33 C ATOM 585 C THR A 37 19.311 0.896 -4.980 1.00 54.11 C ATOM 586 O THR A 37 19.606 1.549 -3.980 1.00 33.42 O ATOM 587 CB THR A 37 19.796 -1.545 -5.158 1.00 61.10 C ATOM 588 OG1 THR A 37 19.707 -1.959 -6.526 1.00 25.10 O ATOM 589 CG2 THR A 37 19.654 -2.755 -4.247 1.00 2.24 C ATOM 0 H THR A 37 17.779 -1.036 -6.652 1.00 70.04 H new ATOM 0 HA THR A 37 18.349 -0.644 -3.834 1.00 21.33 H new ATOM 0 HB THR A 37 20.769 -1.088 -4.979 1.00 61.10 H new ATOM 0 HG1 THR A 37 20.311 -2.716 -6.679 1.00 25.10 H new ATOM 0 HG21 THR A 37 20.433 -3.480 -4.481 1.00 2.24 H new ATOM 0 HG22 THR A 37 19.751 -2.441 -3.208 1.00 2.24 H new ATOM 0 HG23 THR A 37 18.676 -3.212 -4.398 1.00 2.24 H new ATOM 597 N ASN A 38 19.490 1.347 -6.217 1.00 51.53 N ATOM 598 CA ASN A 38 20.057 2.666 -6.475 1.00 65.11 C ATOM 599 C ASN A 38 19.741 3.126 -7.895 1.00 2.21 C ATOM 600 O ASN A 38 18.940 2.508 -8.596 1.00 60.11 O ATOM 601 CB ASN A 38 21.572 2.643 -6.260 1.00 1.01 C ATOM 602 CG ASN A 38 22.085 3.921 -5.625 1.00 43.23 C ATOM 603 OD1 ASN A 38 22.758 4.747 -6.419 1.00 24.01 O flip ATOM 604 ND2 ASN A 38 21.879 4.163 -4.436 1.00 35.02 N flip ATOM 0 H ASN A 38 19.251 0.819 -7.056 1.00 51.53 H new ATOM 0 HA ASN A 38 19.607 3.371 -5.775 1.00 65.11 H new ATOM 0 HB2 ASN A 38 21.834 1.795 -5.627 1.00 1.01 H new ATOM 0 HB3 ASN A 38 22.070 2.491 -7.218 1.00 1.01 H new ATOM 0 HD21 ASN A 38 21.357 3.500 -3.864 1.00 35.02 H new ATOM 0 HD22 ASN A 38 22.230 5.027 -4.023 1.00 35.02 H new ATOM 611 N LYS A 39 20.376 4.216 -8.313 1.00 65.30 N ATOM 612 CA LYS A 39 20.166 4.759 -9.649 1.00 52.35 C ATOM 613 C LYS A 39 20.877 3.912 -10.700 1.00 1.22 C ATOM 614 O LYS A 39 20.437 3.829 -11.846 1.00 55.44 O ATOM 615 CB LYS A 39 20.666 6.204 -9.720 1.00 22.24 C ATOM 616 CG LYS A 39 19.560 7.237 -9.600 1.00 54.33 C ATOM 617 CD LYS A 39 19.467 7.795 -8.190 1.00 4.31 C ATOM 618 CE LYS A 39 18.291 8.749 -8.044 1.00 25.25 C ATOM 619 NZ LYS A 39 17.943 8.984 -6.615 1.00 54.11 N ATOM 0 H LYS A 39 21.041 4.741 -7.745 1.00 65.30 H new ATOM 0 HA LYS A 39 19.096 4.740 -9.856 1.00 52.35 H new ATOM 0 HB2 LYS A 39 21.392 6.368 -8.924 1.00 22.24 H new ATOM 0 HB3 LYS A 39 21.189 6.352 -10.665 1.00 22.24 H new ATOM 0 HG2 LYS A 39 19.743 8.050 -10.302 1.00 54.33 H new ATOM 0 HG3 LYS A 39 18.608 6.785 -9.877 1.00 54.33 H new ATOM 0 HD2 LYS A 39 19.362 6.975 -7.479 1.00 4.31 H new ATOM 0 HD3 LYS A 39 20.392 8.315 -7.942 1.00 4.31 H new ATOM 0 HE2 LYS A 39 18.533 9.699 -8.520 1.00 25.25 H new ATOM 0 HE3 LYS A 39 17.426 8.342 -8.567 1.00 25.25 H new ATOM 0 HZ1 LYS A 39 17.137 9.639 -6.557 1.00 54.11 H new ATOM 0 HZ2 LYS A 39 17.688 8.081 -6.167 1.00 54.11 H new ATOM 0 HZ3 LYS A 39 18.761 9.396 -6.122 1.00 54.11 H new ATOM 633 N ASP A 40 21.977 3.284 -10.301 1.00 4.15 N ATOM 634 CA ASP A 40 22.748 2.441 -11.207 1.00 62.00 C ATOM 635 C ASP A 40 22.045 1.107 -11.439 1.00 12.32 C ATOM 636 O ASP A 40 22.262 0.448 -12.456 1.00 2.44 O ATOM 637 CB ASP A 40 24.151 2.201 -10.646 1.00 53.32 C ATOM 638 CG ASP A 40 25.130 3.284 -11.054 1.00 2.21 C ATOM 639 OD1 ASP A 40 24.996 4.422 -10.557 1.00 44.15 O ATOM 640 OD2 ASP A 40 26.030 2.994 -11.870 1.00 40.22 O ATOM 0 H ASP A 40 22.355 3.343 -9.356 1.00 4.15 H new ATOM 0 HA ASP A 40 22.831 2.959 -12.163 1.00 62.00 H new ATOM 0 HB2 ASP A 40 24.101 2.152 -9.558 1.00 53.32 H new ATOM 0 HB3 ASP A 40 24.517 1.235 -10.992 1.00 53.32 H new ATOM 645 N TRP A 41 21.203 0.716 -10.489 1.00 73.14 N ATOM 646 CA TRP A 41 20.468 -0.540 -10.590 1.00 22.21 C ATOM 647 C TRP A 41 18.969 -0.286 -10.708 1.00 25.53 C ATOM 648 O TRP A 41 18.355 0.283 -9.806 1.00 54.21 O ATOM 649 CB TRP A 41 20.755 -1.421 -9.373 1.00 32.13 C ATOM 650 CG TRP A 41 22.005 -2.236 -9.510 1.00 44.51 C ATOM 651 CD1 TRP A 41 23.170 -1.854 -10.113 1.00 1.35 C ATOM 652 CD2 TRP A 41 22.215 -3.570 -9.037 1.00 21.42 C ATOM 653 NE1 TRP A 41 24.091 -2.871 -10.042 1.00 42.12 N ATOM 654 CE2 TRP A 41 23.530 -3.935 -9.386 1.00 42.44 C ATOM 655 CE3 TRP A 41 21.421 -4.493 -8.350 1.00 50.41 C ATOM 656 CZ2 TRP A 41 24.065 -5.181 -9.073 1.00 24.12 C ATOM 657 CZ3 TRP A 41 21.953 -5.729 -8.040 1.00 25.42 C ATOM 658 CH2 TRP A 41 23.265 -6.064 -8.400 1.00 65.51 C ATOM 0 H TRP A 41 21.012 1.250 -9.641 1.00 73.14 H new ATOM 0 HA TRP A 41 20.801 -1.056 -11.490 1.00 22.21 H new ATOM 0 HB2 TRP A 41 20.837 -0.790 -8.488 1.00 32.13 H new ATOM 0 HB3 TRP A 41 19.910 -2.090 -9.211 1.00 32.13 H new ATOM 0 HD1 TRP A 41 23.342 -0.894 -10.577 1.00 1.35 H new ATOM 0 HE1 TRP A 41 25.039 -2.839 -10.417 1.00 42.12 H new ATOM 0 HE3 TRP A 41 20.409 -4.244 -8.067 1.00 50.41 H new ATOM 0 HZ2 TRP A 41 25.075 -5.442 -9.351 1.00 24.12 H new ATOM 0 HZ3 TRP A 41 21.347 -6.450 -7.511 1.00 25.42 H new ATOM 0 HH2 TRP A 41 23.653 -7.038 -8.141 1.00 65.51 H new ATOM 669 N TRP A 42 18.388 -0.712 -11.823 1.00 72.40 N ATOM 670 CA TRP A 42 16.960 -0.531 -12.057 1.00 53.25 C ATOM 671 C TRP A 42 16.269 -1.872 -12.275 1.00 32.43 C ATOM 672 O TRP A 42 16.676 -2.661 -13.128 1.00 53.14 O ATOM 673 CB TRP A 42 16.732 0.376 -13.268 1.00 0.11 C ATOM 674 CG TRP A 42 17.576 0.010 -14.451 1.00 52.24 C ATOM 675 CD1 TRP A 42 17.307 -0.950 -15.384 1.00 71.41 C ATOM 676 CD2 TRP A 42 18.826 0.598 -14.827 1.00 40.20 C ATOM 677 NE1 TRP A 42 18.315 -0.995 -16.317 1.00 73.00 N ATOM 678 CE2 TRP A 42 19.258 -0.054 -15.998 1.00 60.43 C ATOM 679 CE3 TRP A 42 19.621 1.614 -14.289 1.00 65.45 C ATOM 680 CZ2 TRP A 42 20.450 0.276 -16.638 1.00 11.14 C ATOM 681 CZ3 TRP A 42 20.804 1.940 -14.925 1.00 42.21 C ATOM 682 CH2 TRP A 42 21.209 1.274 -16.089 1.00 61.14 C ATOM 0 H TRP A 42 18.883 -1.185 -12.579 1.00 72.40 H new ATOM 0 HA TRP A 42 16.529 -0.061 -11.173 1.00 53.25 H new ATOM 0 HB2 TRP A 42 15.681 0.332 -13.553 1.00 0.11 H new ATOM 0 HB3 TRP A 42 16.943 1.407 -12.985 1.00 0.11 H new ATOM 0 HD1 TRP A 42 16.431 -1.581 -15.388 1.00 71.41 H new ATOM 0 HE1 TRP A 42 18.355 -1.626 -17.117 1.00 73.00 H new ATOM 0 HE3 TRP A 42 19.317 2.135 -13.393 1.00 65.45 H new ATOM 0 HZ2 TRP A 42 20.764 -0.237 -17.535 1.00 11.14 H new ATOM 0 HZ3 TRP A 42 21.427 2.722 -14.517 1.00 42.21 H new ATOM 0 HH2 TRP A 42 22.139 1.554 -16.563 1.00 61.14 H new ATOM 693 N LYS A 43 15.221 -2.126 -11.498 1.00 24.44 N ATOM 694 CA LYS A 43 14.472 -3.373 -11.606 1.00 1.53 C ATOM 695 C LYS A 43 12.970 -3.107 -11.596 1.00 1.13 C ATOM 696 O LYS A 43 12.408 -2.704 -10.578 1.00 14.44 O ATOM 697 CB LYS A 43 14.842 -4.315 -10.458 1.00 73.01 C ATOM 698 CG LYS A 43 15.377 -5.658 -10.923 1.00 31.54 C ATOM 699 CD LYS A 43 14.268 -6.691 -11.036 1.00 23.54 C ATOM 700 CE LYS A 43 14.642 -7.806 -12.000 1.00 74.45 C ATOM 701 NZ LYS A 43 15.008 -9.060 -11.285 1.00 12.13 N ATOM 0 H LYS A 43 14.871 -1.485 -10.786 1.00 24.44 H new ATOM 0 HA LYS A 43 14.734 -3.845 -12.553 1.00 1.53 H new ATOM 0 HB2 LYS A 43 15.591 -3.832 -9.830 1.00 73.01 H new ATOM 0 HB3 LYS A 43 13.962 -4.479 -9.836 1.00 73.01 H new ATOM 0 HG2 LYS A 43 15.866 -5.541 -11.890 1.00 31.54 H new ATOM 0 HG3 LYS A 43 16.134 -6.011 -10.223 1.00 31.54 H new ATOM 0 HD2 LYS A 43 14.061 -7.113 -10.053 1.00 23.54 H new ATOM 0 HD3 LYS A 43 13.352 -6.207 -11.375 1.00 23.54 H new ATOM 0 HE2 LYS A 43 13.805 -8.002 -12.671 1.00 74.45 H new ATOM 0 HE3 LYS A 43 15.479 -7.484 -12.620 1.00 74.45 H new ATOM 0 HZ1 LYS A 43 15.256 -9.795 -11.978 1.00 12.13 H new ATOM 0 HZ2 LYS A 43 15.823 -8.880 -10.664 1.00 12.13 H new ATOM 0 HZ3 LYS A 43 14.201 -9.382 -10.713 1.00 12.13 H new ATOM 715 N VAL A 44 12.325 -3.337 -12.735 1.00 44.23 N ATOM 716 CA VAL A 44 10.888 -3.125 -12.857 1.00 0.24 C ATOM 717 C VAL A 44 10.152 -4.446 -13.045 1.00 74.24 C ATOM 718 O VAL A 44 10.686 -5.387 -13.630 1.00 63.53 O ATOM 719 CB VAL A 44 10.556 -2.192 -14.036 1.00 50.42 C ATOM 720 CG1 VAL A 44 10.975 -2.826 -15.354 1.00 33.24 C ATOM 721 CG2 VAL A 44 9.073 -1.853 -14.046 1.00 0.33 C ATOM 0 H VAL A 44 12.776 -3.670 -13.587 1.00 44.23 H new ATOM 0 HA VAL A 44 10.557 -2.657 -11.930 1.00 0.24 H new ATOM 0 HB VAL A 44 11.116 -1.265 -13.912 1.00 50.42 H new ATOM 0 HG11 VAL A 44 10.732 -2.152 -16.175 1.00 33.24 H new ATOM 0 HG12 VAL A 44 12.049 -3.013 -15.343 1.00 33.24 H new ATOM 0 HG13 VAL A 44 10.444 -3.768 -15.489 1.00 33.24 H new ATOM 0 HG21 VAL A 44 8.856 -1.193 -14.886 1.00 0.33 H new ATOM 0 HG22 VAL A 44 8.491 -2.769 -14.145 1.00 0.33 H new ATOM 0 HG23 VAL A 44 8.808 -1.354 -13.114 1.00 0.33 H new ATOM 731 N GLU A 45 8.921 -4.508 -12.546 1.00 61.32 N ATOM 732 CA GLU A 45 8.111 -5.716 -12.660 1.00 42.41 C ATOM 733 C GLU A 45 6.637 -5.367 -12.847 1.00 5.54 C ATOM 734 O GLU A 45 6.110 -4.475 -12.181 1.00 50.14 O ATOM 735 CB GLU A 45 8.286 -6.592 -11.418 1.00 72.53 C ATOM 736 CG GLU A 45 8.302 -8.081 -11.722 1.00 32.21 C ATOM 737 CD GLU A 45 6.914 -8.643 -11.960 1.00 35.15 C ATOM 738 OE1 GLU A 45 5.936 -8.037 -11.473 1.00 23.34 O ATOM 739 OE2 GLU A 45 6.805 -9.689 -12.633 1.00 71.12 O ATOM 0 H GLU A 45 8.463 -3.737 -12.060 1.00 61.32 H new ATOM 0 HA GLU A 45 8.449 -6.269 -13.536 1.00 42.41 H new ATOM 0 HB2 GLU A 45 9.217 -6.321 -10.921 1.00 72.53 H new ATOM 0 HB3 GLU A 45 7.478 -6.381 -10.718 1.00 72.53 H new ATOM 0 HG2 GLU A 45 8.919 -8.262 -12.602 1.00 32.21 H new ATOM 0 HG3 GLU A 45 8.768 -8.612 -10.892 1.00 32.21 H new ATOM 746 N VAL A 46 5.978 -6.076 -13.757 1.00 40.21 N ATOM 747 CA VAL A 46 4.565 -5.842 -14.032 1.00 23.41 C ATOM 748 C VAL A 46 3.813 -7.158 -14.196 1.00 72.03 C ATOM 749 O VAL A 46 3.970 -7.854 -15.199 1.00 10.43 O ATOM 750 CB VAL A 46 4.374 -4.992 -15.302 1.00 15.14 C ATOM 751 CG1 VAL A 46 2.906 -4.642 -15.494 1.00 33.33 C ATOM 752 CG2 VAL A 46 5.225 -3.733 -15.233 1.00 22.30 C ATOM 0 H VAL A 46 6.399 -6.817 -14.317 1.00 40.21 H new ATOM 0 HA VAL A 46 4.161 -5.300 -13.177 1.00 23.41 H new ATOM 0 HB VAL A 46 4.700 -5.577 -16.162 1.00 15.14 H new ATOM 0 HG11 VAL A 46 2.790 -4.041 -16.396 1.00 33.33 H new ATOM 0 HG12 VAL A 46 2.323 -5.558 -15.591 1.00 33.33 H new ATOM 0 HG13 VAL A 46 2.551 -4.076 -14.633 1.00 33.33 H new ATOM 0 HG21 VAL A 46 5.078 -3.144 -16.138 1.00 22.30 H new ATOM 0 HG22 VAL A 46 4.932 -3.143 -14.365 1.00 22.30 H new ATOM 0 HG23 VAL A 46 6.276 -4.009 -15.146 1.00 22.30 H new ATOM 762 N ASN A 47 2.994 -7.493 -13.204 1.00 52.15 N ATOM 763 CA ASN A 47 2.216 -8.726 -13.239 1.00 31.01 C ATOM 764 C ASN A 47 3.122 -9.945 -13.095 1.00 10.02 C ATOM 765 O ASN A 47 3.179 -10.567 -12.034 1.00 4.43 O ATOM 766 CB ASN A 47 1.423 -8.817 -14.544 1.00 62.24 C ATOM 767 CG ASN A 47 -0.075 -8.768 -14.316 1.00 11.23 C ATOM 768 OD1 ASN A 47 -0.750 -7.836 -14.752 1.00 55.42 O ATOM 769 ND2 ASN A 47 -0.602 -9.774 -13.628 1.00 21.21 N ATOM 0 H ASN A 47 2.852 -6.928 -12.367 1.00 52.15 H new ATOM 0 HA ASN A 47 1.520 -8.711 -12.400 1.00 31.01 H new ATOM 0 HB2 ASN A 47 1.715 -7.997 -15.201 1.00 62.24 H new ATOM 0 HB3 ASN A 47 1.679 -9.744 -15.058 1.00 62.24 H new ATOM 0 HD21 ASN A 47 -1.605 -9.795 -13.442 1.00 21.21 H new ATOM 0 HD22 ASN A 47 -0.004 -10.526 -13.285 1.00 21.21 H new ATOM 776 N ASP A 48 3.828 -10.280 -14.169 1.00 23.32 N ATOM 777 CA ASP A 48 4.733 -11.424 -14.162 1.00 43.23 C ATOM 778 C ASP A 48 5.837 -11.249 -15.200 1.00 43.15 C ATOM 779 O ASP A 48 6.346 -12.226 -15.750 1.00 44.21 O ATOM 780 CB ASP A 48 3.960 -12.715 -14.435 1.00 0.05 C ATOM 781 CG ASP A 48 4.400 -13.854 -13.536 1.00 10.34 C ATOM 782 OD1 ASP A 48 4.458 -13.649 -12.305 1.00 71.32 O ATOM 783 OD2 ASP A 48 4.687 -14.949 -14.063 1.00 22.25 O ATOM 0 H ASP A 48 3.791 -9.776 -15.055 1.00 23.32 H new ATOM 0 HA ASP A 48 5.192 -11.487 -13.175 1.00 43.23 H new ATOM 0 HB2 ASP A 48 2.895 -12.534 -14.293 1.00 0.05 H new ATOM 0 HB3 ASP A 48 4.098 -13.004 -15.477 1.00 0.05 H new ATOM 788 N ARG A 49 6.201 -9.998 -15.465 1.00 25.34 N ATOM 789 CA ARG A 49 7.243 -9.695 -16.438 1.00 63.55 C ATOM 790 C ARG A 49 8.271 -8.732 -15.853 1.00 42.40 C ATOM 791 O ARG A 49 8.043 -8.129 -14.805 1.00 4.24 O ATOM 792 CB ARG A 49 6.629 -9.095 -17.704 1.00 73.44 C ATOM 793 CG ARG A 49 5.510 -9.937 -18.296 1.00 53.21 C ATOM 794 CD ARG A 49 5.899 -10.509 -19.650 1.00 42.22 C ATOM 795 NE ARG A 49 6.214 -9.461 -20.617 1.00 40.41 N ATOM 796 CZ ARG A 49 6.792 -9.693 -21.790 1.00 41.44 C ATOM 797 NH1 ARG A 49 7.116 -10.930 -22.140 1.00 42.43 N ATOM 798 NH2 ARG A 49 7.047 -8.686 -22.617 1.00 14.14 N ATOM 0 H ARG A 49 5.789 -9.178 -15.019 1.00 25.34 H new ATOM 0 HA ARG A 49 7.748 -10.627 -16.693 1.00 63.55 H new ATOM 0 HB2 ARG A 49 6.243 -8.102 -17.475 1.00 73.44 H new ATOM 0 HB3 ARG A 49 7.411 -8.968 -18.452 1.00 73.44 H new ATOM 0 HG2 ARG A 49 5.265 -10.750 -17.613 1.00 53.21 H new ATOM 0 HG3 ARG A 49 4.612 -9.328 -18.402 1.00 53.21 H new ATOM 0 HD2 ARG A 49 6.762 -11.165 -19.532 1.00 42.22 H new ATOM 0 HD3 ARG A 49 5.083 -11.122 -20.033 1.00 42.22 H new ATOM 0 HE ARG A 49 5.977 -8.498 -20.378 1.00 40.41 H new ATOM 0 HH11 ARG A 49 6.921 -11.706 -21.508 1.00 42.43 H new ATOM 0 HH12 ARG A 49 7.560 -11.105 -23.042 1.00 42.43 H new ATOM 0 HH21 ARG A 49 6.799 -7.733 -22.352 1.00 14.14 H new ATOM 0 HH22 ARG A 49 7.491 -8.866 -23.518 1.00 14.14 H new ATOM 812 N GLN A 50 9.402 -8.593 -16.538 1.00 11.12 N ATOM 813 CA GLN A 50 10.465 -7.704 -16.084 1.00 53.44 C ATOM 814 C GLN A 50 10.796 -6.664 -17.150 1.00 13.43 C ATOM 815 O GLN A 50 10.280 -6.717 -18.265 1.00 74.02 O ATOM 816 CB GLN A 50 11.717 -8.508 -15.734 1.00 23.51 C ATOM 817 CG GLN A 50 12.195 -9.411 -16.860 1.00 4.11 C ATOM 818 CD GLN A 50 13.260 -10.392 -16.410 1.00 34.25 C ATOM 819 OE1 GLN A 50 14.456 -10.123 -16.521 1.00 50.20 O ATOM 820 NE2 GLN A 50 12.829 -11.539 -15.897 1.00 10.23 N ATOM 0 H GLN A 50 9.605 -9.084 -17.408 1.00 11.12 H new ATOM 0 HA GLN A 50 10.114 -7.185 -15.192 1.00 53.44 H new ATOM 0 HB2 GLN A 50 12.518 -7.819 -15.467 1.00 23.51 H new ATOM 0 HB3 GLN A 50 11.513 -9.117 -14.853 1.00 23.51 H new ATOM 0 HG2 GLN A 50 11.346 -9.962 -17.264 1.00 4.11 H new ATOM 0 HG3 GLN A 50 12.590 -8.797 -17.670 1.00 4.11 H new ATOM 0 HE21 GLN A 50 11.828 -11.721 -15.824 1.00 10.23 H new ATOM 0 HE22 GLN A 50 13.499 -12.238 -15.576 1.00 10.23 H new ATOM 829 N GLY A 51 11.660 -5.717 -16.797 1.00 44.14 N ATOM 830 CA GLY A 51 12.045 -4.678 -17.734 1.00 50.44 C ATOM 831 C GLY A 51 13.218 -3.855 -17.239 1.00 32.13 C ATOM 832 O GLY A 51 13.805 -4.161 -16.200 1.00 50.45 O ATOM 0 H GLY A 51 12.100 -5.651 -15.879 1.00 44.14 H new ATOM 0 HA2 GLY A 51 12.303 -5.133 -18.690 1.00 50.44 H new ATOM 0 HA3 GLY A 51 11.194 -4.021 -17.913 1.00 50.44 H new ATOM 836 N PHE A 52 13.562 -2.809 -17.983 1.00 32.30 N ATOM 837 CA PHE A 52 14.674 -1.942 -17.615 1.00 4.33 C ATOM 838 C PHE A 52 14.307 -0.474 -17.810 1.00 42.44 C ATOM 839 O PHE A 52 13.804 -0.083 -18.864 1.00 2.10 O ATOM 840 CB PHE A 52 15.913 -2.284 -18.445 1.00 72.44 C ATOM 841 CG PHE A 52 16.377 -3.702 -18.272 1.00 60.44 C ATOM 842 CD1 PHE A 52 17.176 -4.058 -17.197 1.00 53.54 C ATOM 843 CD2 PHE A 52 16.015 -4.680 -19.185 1.00 41.02 C ATOM 844 CE1 PHE A 52 17.604 -5.362 -17.035 1.00 4.51 C ATOM 845 CE2 PHE A 52 16.440 -5.986 -19.028 1.00 4.53 C ATOM 846 CZ PHE A 52 17.237 -6.327 -17.952 1.00 51.51 C ATOM 0 H PHE A 52 13.086 -2.542 -18.845 1.00 32.30 H new ATOM 0 HA PHE A 52 14.895 -2.106 -16.560 1.00 4.33 H new ATOM 0 HB2 PHE A 52 15.695 -2.107 -19.498 1.00 72.44 H new ATOM 0 HB3 PHE A 52 16.723 -1.609 -18.169 1.00 72.44 H new ATOM 0 HD1 PHE A 52 17.468 -3.307 -16.477 1.00 53.54 H new ATOM 0 HD2 PHE A 52 15.394 -4.419 -20.029 1.00 41.02 H new ATOM 0 HE1 PHE A 52 18.225 -5.626 -16.192 1.00 4.51 H new ATOM 0 HE2 PHE A 52 16.149 -6.739 -19.746 1.00 4.53 H new ATOM 0 HZ PHE A 52 17.572 -7.346 -17.828 1.00 51.51 H new ATOM 856 N VAL A 53 14.562 0.336 -16.787 1.00 31.50 N ATOM 857 CA VAL A 53 14.259 1.761 -16.845 1.00 63.43 C ATOM 858 C VAL A 53 15.436 2.593 -16.349 1.00 10.11 C ATOM 859 O VAL A 53 16.030 2.314 -15.307 1.00 65.05 O ATOM 860 CB VAL A 53 13.012 2.104 -16.009 1.00 4.21 C ATOM 861 CG1 VAL A 53 12.703 3.591 -16.098 1.00 33.23 C ATOM 862 CG2 VAL A 53 11.821 1.275 -16.464 1.00 70.10 C ATOM 0 H VAL A 53 14.978 0.029 -15.908 1.00 31.50 H new ATOM 0 HA VAL A 53 14.063 2.001 -17.890 1.00 63.43 H new ATOM 0 HB VAL A 53 13.216 1.861 -14.966 1.00 4.21 H new ATOM 0 HG11 VAL A 53 11.819 3.815 -15.501 1.00 33.23 H new ATOM 0 HG12 VAL A 53 13.551 4.162 -15.719 1.00 33.23 H new ATOM 0 HG13 VAL A 53 12.518 3.863 -17.137 1.00 33.23 H new ATOM 0 HG21 VAL A 53 10.949 1.530 -15.862 1.00 70.10 H new ATOM 0 HG22 VAL A 53 11.612 1.484 -17.513 1.00 70.10 H new ATOM 0 HG23 VAL A 53 12.048 0.216 -16.343 1.00 70.10 H new ATOM 872 N PRO A 54 15.782 3.642 -17.110 1.00 71.33 N ATOM 873 CA PRO A 54 16.890 4.538 -16.767 1.00 61.22 C ATOM 874 C PRO A 54 16.582 5.400 -15.548 1.00 1.12 C ATOM 875 O PRO A 54 15.731 6.287 -15.602 1.00 74.20 O ATOM 876 CB PRO A 54 17.040 5.411 -18.016 1.00 14.05 C ATOM 877 CG PRO A 54 15.694 5.392 -18.655 1.00 22.42 C ATOM 878 CD PRO A 54 15.117 4.034 -18.365 1.00 24.44 C ATOM 0 HA PRO A 54 17.793 3.987 -16.504 1.00 61.22 H new ATOM 0 HB2 PRO A 54 17.341 6.426 -17.756 1.00 14.05 H new ATOM 0 HB3 PRO A 54 17.802 5.015 -18.687 1.00 14.05 H new ATOM 0 HG2 PRO A 54 15.059 6.180 -18.251 1.00 22.42 H new ATOM 0 HG3 PRO A 54 15.769 5.563 -19.729 1.00 22.42 H new ATOM 0 HD2 PRO A 54 14.034 4.074 -18.250 1.00 24.44 H new ATOM 0 HD3 PRO A 54 15.327 3.328 -19.169 1.00 24.44 H new ATOM 886 N ALA A 55 17.281 5.134 -14.449 1.00 72.00 N ATOM 887 CA ALA A 55 17.083 5.888 -13.217 1.00 63.40 C ATOM 888 C ALA A 55 17.355 7.373 -13.432 1.00 61.43 C ATOM 889 O ALA A 55 16.738 8.225 -12.794 1.00 61.03 O ATOM 890 CB ALA A 55 17.977 5.340 -12.114 1.00 62.23 C ATOM 0 H ALA A 55 17.989 4.402 -14.387 1.00 72.00 H new ATOM 0 HA ALA A 55 16.042 5.776 -12.915 1.00 63.40 H new ATOM 0 HB1 ALA A 55 17.819 5.912 -11.200 1.00 62.23 H new ATOM 0 HB2 ALA A 55 17.732 4.293 -11.934 1.00 62.23 H new ATOM 0 HB3 ALA A 55 19.021 5.422 -12.417 1.00 62.23 H new ATOM 896 N ALA A 56 18.283 7.675 -14.335 1.00 31.24 N ATOM 897 CA ALA A 56 18.635 9.057 -14.634 1.00 42.14 C ATOM 898 C ALA A 56 17.533 9.744 -15.434 1.00 33.44 C ATOM 899 O ALA A 56 17.401 10.967 -15.404 1.00 45.52 O ATOM 900 CB ALA A 56 19.953 9.113 -15.393 1.00 52.22 C ATOM 0 H ALA A 56 18.804 6.981 -14.871 1.00 31.24 H new ATOM 0 HA ALA A 56 18.748 9.589 -13.690 1.00 42.14 H new ATOM 0 HB1 ALA A 56 20.204 10.151 -15.610 1.00 52.22 H new ATOM 0 HB2 ALA A 56 20.742 8.668 -14.786 1.00 52.22 H new ATOM 0 HB3 ALA A 56 19.859 8.560 -16.327 1.00 52.22 H new ATOM 906 N TYR A 57 16.743 8.949 -16.147 1.00 61.40 N ATOM 907 CA TYR A 57 15.654 9.480 -16.957 1.00 14.51 C ATOM 908 C TYR A 57 14.327 9.399 -16.207 1.00 64.33 C ATOM 909 O TYR A 57 13.256 9.507 -16.804 1.00 12.53 O ATOM 910 CB TYR A 57 15.553 8.717 -18.279 1.00 1.23 C ATOM 911 CG TYR A 57 15.514 9.615 -19.495 1.00 33.22 C ATOM 912 CD1 TYR A 57 14.363 10.321 -19.824 1.00 61.23 C ATOM 913 CD2 TYR A 57 16.626 9.756 -20.315 1.00 3.22 C ATOM 914 CE1 TYR A 57 14.322 11.142 -20.935 1.00 21.42 C ATOM 915 CE2 TYR A 57 16.595 10.576 -21.426 1.00 72.13 C ATOM 916 CZ TYR A 57 15.441 11.266 -21.732 1.00 55.23 C ATOM 917 OH TYR A 57 15.405 12.083 -22.839 1.00 73.55 O ATOM 0 H TYR A 57 16.837 7.934 -16.180 1.00 61.40 H new ATOM 0 HA TYR A 57 15.869 10.528 -17.166 1.00 14.51 H new ATOM 0 HB2 TYR A 57 16.404 8.041 -18.364 1.00 1.23 H new ATOM 0 HB3 TYR A 57 14.655 8.100 -18.265 1.00 1.23 H new ATOM 0 HD1 TYR A 57 13.486 10.226 -19.201 1.00 61.23 H new ATOM 0 HD2 TYR A 57 17.531 9.215 -20.080 1.00 3.22 H new ATOM 0 HE1 TYR A 57 13.419 11.683 -21.178 1.00 21.42 H new ATOM 0 HE2 TYR A 57 17.470 10.676 -22.052 1.00 72.13 H new ATOM 0 HH TYR A 57 16.274 12.060 -23.291 1.00 73.55 H new ATOM 927 N VAL A 58 14.408 9.207 -14.894 1.00 60.34 N ATOM 928 CA VAL A 58 13.216 9.112 -14.061 1.00 35.20 C ATOM 929 C VAL A 58 13.472 9.676 -12.668 1.00 41.53 C ATOM 930 O VAL A 58 14.610 9.707 -12.198 1.00 74.11 O ATOM 931 CB VAL A 58 12.736 7.654 -13.932 1.00 33.05 C ATOM 932 CG1 VAL A 58 13.702 6.847 -13.078 1.00 1.44 C ATOM 933 CG2 VAL A 58 11.330 7.606 -13.351 1.00 64.41 C ATOM 0 H VAL A 58 15.287 9.114 -14.385 1.00 60.34 H new ATOM 0 HA VAL A 58 12.440 9.700 -14.551 1.00 35.20 H new ATOM 0 HB VAL A 58 12.709 7.209 -14.927 1.00 33.05 H new ATOM 0 HG11 VAL A 58 13.346 5.820 -12.998 1.00 1.44 H new ATOM 0 HG12 VAL A 58 14.689 6.854 -13.540 1.00 1.44 H new ATOM 0 HG13 VAL A 58 13.764 7.288 -12.083 1.00 1.44 H new ATOM 0 HG21 VAL A 58 11.006 6.569 -13.267 1.00 64.41 H new ATOM 0 HG22 VAL A 58 11.328 8.068 -12.364 1.00 64.41 H new ATOM 0 HG23 VAL A 58 10.647 8.147 -14.006 1.00 64.41 H new ATOM 943 N LYS A 59 12.407 10.123 -12.012 1.00 11.14 N ATOM 944 CA LYS A 59 12.514 10.686 -10.671 1.00 25.22 C ATOM 945 C LYS A 59 11.643 9.914 -9.685 1.00 63.31 C ATOM 946 O LYS A 59 10.425 9.835 -9.846 1.00 62.04 O ATOM 947 CB LYS A 59 12.108 12.161 -10.680 1.00 54.14 C ATOM 948 CG LYS A 59 13.287 13.118 -10.648 1.00 21.50 C ATOM 949 CD LYS A 59 13.928 13.167 -9.271 1.00 35.41 C ATOM 950 CE LYS A 59 14.447 14.559 -8.947 1.00 51.11 C ATOM 951 NZ LYS A 59 13.348 15.484 -8.555 1.00 75.11 N ATOM 0 H LYS A 59 11.459 10.106 -12.387 1.00 11.14 H new ATOM 0 HA LYS A 59 13.553 10.604 -10.352 1.00 25.22 H new ATOM 0 HB2 LYS A 59 11.514 12.360 -11.572 1.00 54.14 H new ATOM 0 HB3 LYS A 59 11.468 12.358 -9.820 1.00 54.14 H new ATOM 0 HG2 LYS A 59 14.028 12.808 -11.385 1.00 21.50 H new ATOM 0 HG3 LYS A 59 12.954 14.117 -10.931 1.00 21.50 H new ATOM 0 HD2 LYS A 59 13.200 12.865 -8.519 1.00 35.41 H new ATOM 0 HD3 LYS A 59 14.749 12.452 -9.225 1.00 35.41 H new ATOM 0 HE2 LYS A 59 15.174 14.496 -8.138 1.00 51.11 H new ATOM 0 HE3 LYS A 59 14.969 14.963 -9.814 1.00 51.11 H new ATOM 0 HZ1 LYS A 59 13.691 16.465 -8.589 1.00 75.11 H new ATOM 0 HZ2 LYS A 59 12.550 15.373 -9.213 1.00 75.11 H new ATOM 0 HZ3 LYS A 59 13.034 15.261 -7.589 1.00 75.11 H new ATOM 965 N LYS A 60 12.275 9.346 -8.663 1.00 53.20 N ATOM 966 CA LYS A 60 11.558 8.582 -7.649 1.00 14.41 C ATOM 967 C LYS A 60 11.421 9.385 -6.359 1.00 32.00 C ATOM 968 O LYS A 60 12.293 10.185 -6.018 1.00 51.53 O ATOM 969 CB LYS A 60 12.282 7.264 -7.367 1.00 74.13 C ATOM 970 CG LYS A 60 13.626 7.442 -6.683 1.00 13.11 C ATOM 971 CD LYS A 60 14.393 6.133 -6.612 1.00 22.44 C ATOM 972 CE LYS A 60 13.844 5.224 -5.522 1.00 65.44 C ATOM 973 NZ LYS A 60 14.738 5.183 -4.331 1.00 55.45 N ATOM 0 H LYS A 60 13.283 9.401 -8.515 1.00 53.20 H new ATOM 0 HA LYS A 60 10.560 8.367 -8.030 1.00 14.41 H new ATOM 0 HB2 LYS A 60 11.646 6.637 -6.742 1.00 74.13 H new ATOM 0 HB3 LYS A 60 12.430 6.732 -8.307 1.00 74.13 H new ATOM 0 HG2 LYS A 60 14.216 8.181 -7.225 1.00 13.11 H new ATOM 0 HG3 LYS A 60 13.474 7.831 -5.676 1.00 13.11 H new ATOM 0 HD2 LYS A 60 14.336 5.624 -7.574 1.00 22.44 H new ATOM 0 HD3 LYS A 60 15.446 6.337 -6.421 1.00 22.44 H new ATOM 0 HE2 LYS A 60 12.856 5.572 -5.222 1.00 65.44 H new ATOM 0 HE3 LYS A 60 13.720 4.216 -5.918 1.00 65.44 H new ATOM 0 HZ1 LYS A 60 14.329 4.553 -3.611 1.00 55.45 H new ATOM 0 HZ2 LYS A 60 15.674 4.827 -4.612 1.00 55.45 H new ATOM 0 HZ3 LYS A 60 14.836 6.141 -3.937 1.00 55.45 H new ATOM 987 N LEU A 61 10.323 9.165 -5.644 1.00 53.15 N ATOM 988 CA LEU A 61 10.073 9.867 -4.390 1.00 74.03 C ATOM 989 C LEU A 61 10.025 11.376 -4.611 1.00 33.53 C ATOM 990 O LEU A 61 10.489 12.150 -3.774 1.00 43.22 O ATOM 991 CB LEU A 61 11.156 9.524 -3.366 1.00 72.22 C ATOM 992 CG LEU A 61 10.709 9.484 -1.904 1.00 71.44 C ATOM 993 CD1 LEU A 61 11.157 8.189 -1.245 1.00 31.33 C ATOM 994 CD2 LEU A 61 11.253 10.686 -1.147 1.00 40.21 C ATOM 0 H LEU A 61 9.592 8.506 -5.911 1.00 53.15 H new ATOM 0 HA LEU A 61 9.105 9.543 -4.008 1.00 74.03 H new ATOM 0 HB2 LEU A 61 11.576 8.552 -3.623 1.00 72.22 H new ATOM 0 HB3 LEU A 61 11.960 10.254 -3.459 1.00 72.22 H new ATOM 0 HG LEU A 61 9.620 9.525 -1.875 1.00 71.44 H new ATOM 0 HD11 LEU A 61 10.830 8.178 -0.205 1.00 31.33 H new ATOM 0 HD12 LEU A 61 10.718 7.342 -1.772 1.00 31.33 H new ATOM 0 HD13 LEU A 61 12.244 8.118 -1.285 1.00 31.33 H new ATOM 0 HD21 LEU A 61 10.925 10.641 -0.109 1.00 40.21 H new ATOM 0 HD22 LEU A 61 12.342 10.677 -1.184 1.00 40.21 H new ATOM 0 HD23 LEU A 61 10.882 11.603 -1.605 1.00 40.21 H new ATOM 1006 N ASP A 62 9.458 11.785 -5.740 1.00 44.33 N ATOM 1007 CA ASP A 62 9.346 13.202 -6.070 1.00 24.44 C ATOM 1008 C ASP A 62 8.333 13.421 -7.188 1.00 70.25 C ATOM 1009 O ASP A 62 7.746 14.499 -7.267 1.00 2.15 O ATOM 1010 CB ASP A 62 10.709 13.760 -6.482 1.00 0.50 C ATOM 1011 CG ASP A 62 11.020 15.083 -5.809 1.00 61.11 C ATOM 1012 OD1 ASP A 62 10.276 16.058 -6.044 1.00 11.20 O ATOM 1013 OD2 ASP A 62 12.007 15.142 -5.047 1.00 2.52 O ATOM 0 H ASP A 62 9.069 11.156 -6.442 1.00 44.33 H new ATOM 0 HA ASP A 62 8.999 13.731 -5.182 1.00 24.44 H new ATOM 0 HB2 ASP A 62 11.485 13.037 -6.232 1.00 0.50 H new ATOM 0 HB3 ASP A 62 10.733 13.891 -7.564 1.00 0.50 H new