USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.203) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= -0.0221 (180deg=-0.188) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 8 SER OG : rot 76:sc= 0.154 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 41:sc= 1.23 USER MOD Single : A 20 TYR OH : rot -97:sc= -0.503 USER MOD Single : A 21 TYR OH : rot -158:sc= -0.584 USER MOD Single : A 22 TYR OH : rot 113:sc= -0.395 USER MOD Single : A 23 ASN : amide:sc= -0.542 K(o=-0.54,f=-2.3!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.877 USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= 0.439 (180deg=0.233) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -44:sc= 1.2 USER MOD Single : A 40 ASN : amide:sc= -0.0927 K(o=-0.093,f=-5.8!) USER MOD Single : A 41 SER OG : rot -38:sc= -0.548 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.157 F(o=-0.73,f=-0.16) USER MOD Single : A 43 ASN : amide:sc= -2.51 X(o=-2.5,f=-2.2!) USER MOD Single : A 46 THR OG1 : rot -30:sc= -0.0952 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.298 K(o=-0.3,f=-3.9!) USER MOD Single : A 58 SER OG : rot 141:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.559 -1.016 -0.744 1.00 1.32 N ATOM 2 CA LYS A 1 1.480 -1.150 -1.867 1.00 14.44 C ATOM 3 C LYS A 1 0.722 -1.433 -3.160 1.00 64.30 C ATOM 4 O LYS A 1 1.036 -2.381 -3.880 1.00 61.24 O ATOM 5 CB LYS A 1 2.487 -2.270 -1.596 1.00 55.15 C ATOM 6 CG LYS A 1 3.670 -2.267 -2.549 1.00 11.24 C ATOM 7 CD LYS A 1 4.444 -0.962 -2.471 1.00 43.33 C ATOM 8 CE LYS A 1 5.903 -1.200 -2.112 1.00 40.42 C ATOM 9 NZ LYS A 1 6.134 -1.111 -0.644 1.00 4.12 N ATOM 0 H1 LYS A 1 1.097 -0.824 0.125 1.00 1.32 H new ATOM 0 H2 LYS A 1 -0.098 -0.230 -0.926 1.00 1.32 H new ATOM 0 H3 LYS A 1 0.020 -1.898 -0.630 1.00 1.32 H new ATOM 0 HA LYS A 1 2.017 -0.208 -1.980 1.00 14.44 H new ATOM 0 HB2 LYS A 1 2.854 -2.178 -0.574 1.00 55.15 H new ATOM 0 HB3 LYS A 1 1.977 -3.231 -1.666 1.00 55.15 H new ATOM 0 HG2 LYS A 1 4.333 -3.099 -2.311 1.00 11.24 H new ATOM 0 HG3 LYS A 1 3.318 -2.422 -3.569 1.00 11.24 H new ATOM 0 HD2 LYS A 1 4.384 -0.444 -3.428 1.00 43.33 H new ATOM 0 HD3 LYS A 1 3.987 -0.310 -1.727 1.00 43.33 H new ATOM 0 HE2 LYS A 1 6.209 -2.183 -2.469 1.00 40.42 H new ATOM 0 HE3 LYS A 1 6.527 -0.467 -2.623 1.00 40.42 H new ATOM 0 HZ1 LYS A 1 7.156 -1.092 -0.454 1.00 4.12 H new ATOM 0 HZ2 LYS A 1 5.697 -0.242 -0.276 1.00 4.12 H new ATOM 0 HZ3 LYS A 1 5.710 -1.937 -0.175 1.00 4.12 H new ATOM 23 N LYS A 2 -0.275 -0.605 -3.450 1.00 34.11 N ATOM 24 CA LYS A 2 -1.076 -0.764 -4.658 1.00 31.40 C ATOM 25 C LYS A 2 -0.480 0.031 -5.815 1.00 24.30 C ATOM 26 O LYS A 2 -1.116 0.207 -6.854 1.00 41.31 O ATOM 27 CB LYS A 2 -2.516 -0.312 -4.403 1.00 61.45 C ATOM 28 CG LYS A 2 -3.004 -0.601 -2.994 1.00 42.52 C ATOM 29 CD LYS A 2 -2.866 0.618 -2.096 1.00 60.44 C ATOM 30 CE LYS A 2 -4.223 1.210 -1.749 1.00 40.42 C ATOM 31 NZ LYS A 2 -4.117 2.639 -1.343 1.00 44.22 N ATOM 0 H LYS A 2 -0.548 0.184 -2.864 1.00 34.11 H new ATOM 0 HA LYS A 2 -1.075 -1.820 -4.928 1.00 31.40 H new ATOM 0 HB2 LYS A 2 -2.591 0.759 -4.592 1.00 61.45 H new ATOM 0 HB3 LYS A 2 -3.175 -0.808 -5.116 1.00 61.45 H new ATOM 0 HG2 LYS A 2 -4.048 -0.914 -3.026 1.00 42.52 H new ATOM 0 HG3 LYS A 2 -2.435 -1.430 -2.574 1.00 42.52 H new ATOM 0 HD2 LYS A 2 -2.344 0.340 -1.180 1.00 60.44 H new ATOM 0 HD3 LYS A 2 -2.256 1.371 -2.594 1.00 60.44 H new ATOM 0 HE2 LYS A 2 -4.887 1.125 -2.609 1.00 40.42 H new ATOM 0 HE3 LYS A 2 -4.674 0.635 -0.940 1.00 40.42 H new ATOM 0 HZ1 LYS A 2 -5.063 3.006 -1.115 1.00 44.22 H new ATOM 0 HZ2 LYS A 2 -3.504 2.718 -0.507 1.00 44.22 H new ATOM 0 HZ3 LYS A 2 -3.710 3.192 -2.124 1.00 44.22 H new ATOM 45 N LYS A 3 0.747 0.507 -5.629 1.00 53.41 N ATOM 46 CA LYS A 3 1.431 1.281 -6.658 1.00 3.42 C ATOM 47 C LYS A 3 2.043 0.364 -7.712 1.00 4.23 C ATOM 48 O LYS A 3 2.492 0.822 -8.763 1.00 52.22 O ATOM 49 CB LYS A 3 2.521 2.152 -6.029 1.00 44.21 C ATOM 50 CG LYS A 3 1.983 3.211 -5.082 1.00 24.31 C ATOM 51 CD LYS A 3 1.933 2.704 -3.650 1.00 40.12 C ATOM 52 CE LYS A 3 3.318 2.336 -3.140 1.00 51.30 C ATOM 53 NZ LYS A 3 3.367 2.289 -1.652 1.00 54.34 N ATOM 0 H LYS A 3 1.288 0.370 -4.775 1.00 53.41 H new ATOM 0 HA LYS A 3 0.696 1.923 -7.144 1.00 3.42 H new ATOM 0 HB2 LYS A 3 3.218 1.512 -5.487 1.00 44.21 H new ATOM 0 HB3 LYS A 3 3.087 2.640 -6.822 1.00 44.21 H new ATOM 0 HG2 LYS A 3 2.612 4.100 -5.133 1.00 24.31 H new ATOM 0 HG3 LYS A 3 0.984 3.510 -5.398 1.00 24.31 H new ATOM 0 HD2 LYS A 3 1.499 3.470 -3.007 1.00 40.12 H new ATOM 0 HD3 LYS A 3 1.280 1.833 -3.594 1.00 40.12 H new ATOM 0 HE2 LYS A 3 3.608 1.366 -3.544 1.00 51.30 H new ATOM 0 HE3 LYS A 3 4.044 3.063 -3.504 1.00 51.30 H new ATOM 0 HZ1 LYS A 3 4.232 1.798 -1.348 1.00 54.34 H new ATOM 0 HZ2 LYS A 3 3.369 3.258 -1.274 1.00 54.34 H new ATOM 0 HZ3 LYS A 3 2.535 1.779 -1.293 1.00 54.34 H new ATOM 67 N CYS A 4 2.058 -0.933 -7.424 1.00 72.11 N ATOM 68 CA CYS A 4 2.614 -1.915 -8.347 1.00 34.30 C ATOM 69 C CYS A 4 1.531 -2.468 -9.270 1.00 22.34 C ATOM 70 O CYS A 4 1.721 -3.497 -9.918 1.00 20.14 O ATOM 71 CB CYS A 4 3.272 -3.059 -7.572 1.00 53.32 C ATOM 72 SG CYS A 4 4.432 -4.056 -8.561 1.00 51.02 S ATOM 0 H CYS A 4 1.691 -1.329 -6.558 1.00 72.11 H new ATOM 0 HA CYS A 4 3.368 -1.417 -8.957 1.00 34.30 H new ATOM 0 HB2 CYS A 4 3.804 -2.645 -6.716 1.00 53.32 H new ATOM 0 HB3 CYS A 4 2.493 -3.712 -7.178 1.00 53.32 H new ATOM 77 N GLN A 5 0.397 -1.777 -9.323 1.00 21.21 N ATOM 78 CA GLN A 5 -0.715 -2.200 -10.166 1.00 14.54 C ATOM 79 C GLN A 5 -1.494 -0.995 -10.683 1.00 14.32 C ATOM 80 O GLN A 5 -2.644 -0.774 -10.299 1.00 71.34 O ATOM 81 CB GLN A 5 -1.648 -3.129 -9.387 1.00 71.12 C ATOM 82 CG GLN A 5 -1.649 -2.875 -7.888 1.00 44.25 C ATOM 83 CD GLN A 5 -2.780 -3.589 -7.176 1.00 12.32 C ATOM 84 OE1 GLN A 5 -3.945 -3.464 -7.555 1.00 10.40 O ATOM 85 NE2 GLN A 5 -2.443 -4.343 -6.137 1.00 30.44 N ATOM 0 H GLN A 5 0.224 -0.923 -8.793 1.00 21.21 H new ATOM 0 HA GLN A 5 -0.306 -2.740 -11.020 1.00 14.54 H new ATOM 0 HB2 GLN A 5 -2.663 -3.013 -9.767 1.00 71.12 H new ATOM 0 HB3 GLN A 5 -1.355 -4.162 -9.572 1.00 71.12 H new ATOM 0 HG2 GLN A 5 -0.697 -3.200 -7.468 1.00 44.25 H new ATOM 0 HG3 GLN A 5 -1.729 -1.803 -7.705 1.00 44.25 H new ATOM 0 HE21 GLN A 5 -1.465 -4.418 -5.857 1.00 30.44 H new ATOM 0 HE22 GLN A 5 -3.162 -4.847 -5.618 1.00 30.44 H new ATOM 94 N LEU A 6 -0.862 -0.218 -11.555 1.00 2.52 N ATOM 95 CA LEU A 6 -1.496 0.966 -12.125 1.00 45.21 C ATOM 96 C LEU A 6 -1.591 0.855 -13.643 1.00 74.43 C ATOM 97 O LEU A 6 -0.819 0.145 -14.288 1.00 72.21 O ATOM 98 CB LEU A 6 -0.711 2.223 -11.743 1.00 72.22 C ATOM 99 CG LEU A 6 -1.028 2.821 -10.372 1.00 21.20 C ATOM 100 CD1 LEU A 6 -2.352 3.568 -10.408 1.00 72.53 C ATOM 101 CD2 LEU A 6 -1.056 1.732 -9.309 1.00 53.21 C ATOM 0 H LEU A 6 0.089 -0.386 -11.883 1.00 2.52 H new ATOM 0 HA LEU A 6 -2.505 1.038 -11.720 1.00 45.21 H new ATOM 0 HB2 LEU A 6 0.353 1.987 -11.777 1.00 72.22 H new ATOM 0 HB3 LEU A 6 -0.893 2.985 -12.501 1.00 72.22 H new ATOM 0 HG LEU A 6 -0.241 3.531 -10.116 1.00 21.20 H new ATOM 0 HD11 LEU A 6 -2.561 3.986 -9.423 1.00 72.53 H new ATOM 0 HD12 LEU A 6 -2.295 4.374 -11.140 1.00 72.53 H new ATOM 0 HD13 LEU A 6 -3.150 2.880 -10.686 1.00 72.53 H new ATOM 0 HD21 LEU A 6 -1.283 2.176 -8.340 1.00 53.21 H new ATOM 0 HD22 LEU A 6 -1.821 0.998 -9.560 1.00 53.21 H new ATOM 0 HD23 LEU A 6 -0.084 1.242 -9.265 1.00 53.21 H new ATOM 113 N PRO A 7 -2.560 1.573 -14.230 1.00 10.52 N ATOM 114 CA PRO A 7 -2.778 1.574 -15.679 1.00 71.04 C ATOM 115 C PRO A 7 -1.659 2.284 -16.434 1.00 12.24 C ATOM 116 O PRO A 7 -1.139 3.302 -15.978 1.00 12.54 O ATOM 117 CB PRO A 7 -4.097 2.334 -15.839 1.00 51.04 C ATOM 118 CG PRO A 7 -4.180 3.206 -14.635 1.00 12.43 C ATOM 119 CD PRO A 7 -3.517 2.442 -13.523 1.00 63.40 C ATOM 0 HA PRO A 7 -2.800 0.564 -16.088 1.00 71.04 H new ATOM 0 HB2 PRO A 7 -4.106 2.923 -16.756 1.00 51.04 H new ATOM 0 HB3 PRO A 7 -4.944 1.650 -15.892 1.00 51.04 H new ATOM 0 HG2 PRO A 7 -3.678 4.158 -14.808 1.00 12.43 H new ATOM 0 HG3 PRO A 7 -5.217 3.433 -14.388 1.00 12.43 H new ATOM 0 HD2 PRO A 7 -3.013 3.108 -12.822 1.00 63.40 H new ATOM 0 HD3 PRO A 7 -4.239 1.861 -12.948 1.00 63.40 H new ATOM 127 N SER A 8 -1.293 1.741 -17.590 1.00 75.42 N ATOM 128 CA SER A 8 -0.233 2.321 -18.406 1.00 74.03 C ATOM 129 C SER A 8 -0.531 3.783 -18.724 1.00 52.10 C ATOM 130 O SER A 8 -1.638 4.268 -18.490 1.00 35.33 O ATOM 131 CB SER A 8 -0.068 1.528 -19.704 1.00 55.55 C ATOM 132 OG SER A 8 -0.917 0.394 -19.721 1.00 34.12 O ATOM 0 H SER A 8 -1.715 0.900 -17.983 1.00 75.42 H new ATOM 0 HA SER A 8 0.696 2.273 -17.839 1.00 74.03 H new ATOM 0 HB2 SER A 8 -0.295 2.169 -20.556 1.00 55.55 H new ATOM 0 HB3 SER A 8 0.969 1.211 -19.811 1.00 55.55 H new ATOM 0 HG SER A 8 -1.837 0.677 -19.902 1.00 34.12 H new ATOM 138 N ASP A 9 0.465 4.480 -19.259 1.00 0.43 N ATOM 139 CA ASP A 9 0.311 5.887 -19.610 1.00 42.33 C ATOM 140 C ASP A 9 1.591 6.435 -20.233 1.00 65.24 C ATOM 141 O ASP A 9 2.669 6.345 -19.644 1.00 53.33 O ATOM 142 CB ASP A 9 -0.059 6.707 -18.373 1.00 75.41 C ATOM 143 CG ASP A 9 -1.112 7.757 -18.668 1.00 42.24 C ATOM 144 OD1 ASP A 9 -2.076 7.443 -19.398 1.00 11.05 O ATOM 145 OD2 ASP A 9 -0.972 8.893 -18.170 1.00 3.22 O ATOM 0 H ASP A 9 1.388 4.094 -19.459 1.00 0.43 H new ATOM 0 HA ASP A 9 -0.492 5.966 -20.343 1.00 42.33 H new ATOM 0 HB2 ASP A 9 -0.425 6.039 -17.594 1.00 75.41 H new ATOM 0 HB3 ASP A 9 0.835 7.193 -17.982 1.00 75.41 H new ATOM 150 N VAL A 10 1.466 7.001 -21.430 1.00 3.15 N ATOM 151 CA VAL A 10 2.613 7.563 -22.133 1.00 40.20 C ATOM 152 C VAL A 10 2.538 9.085 -22.177 1.00 45.34 C ATOM 153 O VAL A 10 3.561 9.769 -22.149 1.00 62.53 O ATOM 154 CB VAL A 10 2.709 7.023 -23.572 1.00 73.22 C ATOM 155 CG1 VAL A 10 1.565 7.557 -24.421 1.00 1.44 C ATOM 156 CG2 VAL A 10 4.053 7.382 -24.187 1.00 71.43 C ATOM 0 H VAL A 10 0.582 7.082 -21.932 1.00 3.15 H new ATOM 0 HA VAL A 10 3.502 7.261 -21.580 1.00 40.20 H new ATOM 0 HB VAL A 10 2.629 5.936 -23.540 1.00 73.22 H new ATOM 0 HG11 VAL A 10 1.650 7.164 -25.434 1.00 1.44 H new ATOM 0 HG12 VAL A 10 0.614 7.244 -23.989 1.00 1.44 H new ATOM 0 HG13 VAL A 10 1.610 8.646 -24.449 1.00 1.44 H new ATOM 0 HG21 VAL A 10 4.104 6.993 -25.204 1.00 71.43 H new ATOM 0 HG22 VAL A 10 4.166 8.466 -24.208 1.00 71.43 H new ATOM 0 HG23 VAL A 10 4.854 6.945 -23.591 1.00 71.43 H new ATOM 166 N GLY A 11 1.319 9.611 -22.246 1.00 41.04 N ATOM 167 CA GLY A 11 1.133 11.050 -22.293 1.00 60.51 C ATOM 168 C GLY A 11 1.943 11.703 -23.395 1.00 55.43 C ATOM 169 O GLY A 11 2.570 11.020 -24.205 1.00 34.21 O ATOM 0 H GLY A 11 0.457 9.067 -22.270 1.00 41.04 H new ATOM 0 HA2 GLY A 11 0.076 11.272 -22.442 1.00 60.51 H new ATOM 0 HA3 GLY A 11 1.417 11.482 -21.333 1.00 60.51 H new ATOM 173 N LYS A 12 1.929 13.032 -23.429 1.00 74.40 N ATOM 174 CA LYS A 12 2.666 13.779 -24.440 1.00 43.52 C ATOM 175 C LYS A 12 3.758 14.631 -23.799 1.00 33.40 C ATOM 176 O LYS A 12 3.889 14.670 -22.576 1.00 44.55 O ATOM 177 CB LYS A 12 1.714 14.671 -25.241 1.00 21.33 C ATOM 178 CG LYS A 12 0.622 15.305 -24.397 1.00 52.45 C ATOM 179 CD LYS A 12 -0.643 14.464 -24.399 1.00 35.04 C ATOM 180 CE LYS A 12 -1.693 15.034 -23.457 1.00 2.13 C ATOM 181 NZ LYS A 12 -3.046 15.051 -24.079 1.00 3.43 N ATOM 0 H LYS A 12 1.415 13.613 -22.767 1.00 74.40 H new ATOM 0 HA LYS A 12 3.136 13.062 -25.114 1.00 43.52 H new ATOM 0 HB2 LYS A 12 2.290 15.459 -25.727 1.00 21.33 H new ATOM 0 HB3 LYS A 12 1.253 14.079 -26.032 1.00 21.33 H new ATOM 0 HG2 LYS A 12 0.977 15.428 -23.374 1.00 52.45 H new ATOM 0 HG3 LYS A 12 0.398 16.301 -24.778 1.00 52.45 H new ATOM 0 HD2 LYS A 12 -1.048 14.416 -25.410 1.00 35.04 H new ATOM 0 HD3 LYS A 12 -0.403 13.443 -24.103 1.00 35.04 H new ATOM 0 HE2 LYS A 12 -1.721 14.441 -22.543 1.00 2.13 H new ATOM 0 HE3 LYS A 12 -1.412 16.048 -23.171 1.00 2.13 H new ATOM 0 HZ1 LYS A 12 -3.733 15.446 -23.405 1.00 3.43 H new ATOM 0 HZ2 LYS A 12 -3.026 15.638 -24.938 1.00 3.43 H new ATOM 0 HZ3 LYS A 12 -3.325 14.081 -24.329 1.00 3.43 H new ATOM 195 N GLY A 13 4.538 15.312 -24.633 1.00 72.31 N ATOM 196 CA GLY A 13 5.606 16.154 -24.129 1.00 25.25 C ATOM 197 C GLY A 13 6.884 16.014 -24.933 1.00 14.20 C ATOM 198 O GLY A 13 6.950 15.225 -25.875 1.00 71.34 O ATOM 0 H GLY A 13 4.449 15.295 -25.649 1.00 72.31 H new ATOM 0 HA2 GLY A 13 5.282 17.195 -24.145 1.00 25.25 H new ATOM 0 HA3 GLY A 13 5.805 15.899 -23.088 1.00 25.25 H new ATOM 202 N LYS A 14 7.901 16.784 -24.563 1.00 24.15 N ATOM 203 CA LYS A 14 9.183 16.744 -25.256 1.00 25.12 C ATOM 204 C LYS A 14 10.148 15.788 -24.561 1.00 70.23 C ATOM 205 O LYS A 14 11.363 15.885 -24.731 1.00 71.24 O ATOM 206 CB LYS A 14 9.796 18.145 -25.320 1.00 74.04 C ATOM 207 CG LYS A 14 9.005 19.115 -26.181 1.00 62.15 C ATOM 208 CD LYS A 14 7.905 19.798 -25.386 1.00 62.22 C ATOM 209 CE LYS A 14 7.275 20.938 -26.171 1.00 63.05 C ATOM 210 NZ LYS A 14 6.241 20.450 -27.125 1.00 64.45 N ATOM 0 H LYS A 14 7.862 17.444 -23.786 1.00 24.15 H new ATOM 0 HA LYS A 14 9.008 16.383 -26.270 1.00 25.12 H new ATOM 0 HB2 LYS A 14 9.871 18.547 -24.309 1.00 74.04 H new ATOM 0 HB3 LYS A 14 10.811 18.071 -25.709 1.00 74.04 H new ATOM 0 HG2 LYS A 14 9.677 19.867 -26.594 1.00 62.15 H new ATOM 0 HG3 LYS A 14 8.567 18.581 -27.024 1.00 62.15 H new ATOM 0 HD2 LYS A 14 7.139 19.069 -25.123 1.00 62.22 H new ATOM 0 HD3 LYS A 14 8.315 20.181 -24.451 1.00 62.22 H new ATOM 0 HE2 LYS A 14 6.824 21.649 -25.479 1.00 63.05 H new ATOM 0 HE3 LYS A 14 8.050 21.474 -26.719 1.00 63.05 H new ATOM 0 HZ1 LYS A 14 5.836 21.257 -27.640 1.00 64.45 H new ATOM 0 HZ2 LYS A 14 6.676 19.791 -27.801 1.00 64.45 H new ATOM 0 HZ3 LYS A 14 5.488 19.961 -26.600 1.00 64.45 H new ATOM 224 N ALA A 15 9.598 14.864 -23.780 1.00 2.01 N ATOM 225 CA ALA A 15 10.410 13.888 -23.063 1.00 11.40 C ATOM 226 C ALA A 15 10.402 12.539 -23.774 1.00 10.32 C ATOM 227 O ALA A 15 9.346 11.943 -23.982 1.00 35.33 O ATOM 228 CB ALA A 15 9.913 13.737 -21.633 1.00 75.21 C ATOM 0 H ALA A 15 8.594 14.771 -23.628 1.00 2.01 H new ATOM 0 HA ALA A 15 11.437 14.252 -23.042 1.00 11.40 H new ATOM 0 HB1 ALA A 15 10.528 13.005 -21.109 1.00 75.21 H new ATOM 0 HB2 ALA A 15 9.978 14.698 -21.122 1.00 75.21 H new ATOM 0 HB3 ALA A 15 8.877 13.400 -21.642 1.00 75.21 H new ATOM 234 N SER A 16 11.587 12.064 -24.145 1.00 14.11 N ATOM 235 CA SER A 16 11.715 10.787 -24.837 1.00 22.02 C ATOM 236 C SER A 16 12.459 9.773 -23.973 1.00 10.45 C ATOM 237 O SER A 16 13.418 9.144 -24.420 1.00 30.12 O ATOM 238 CB SER A 16 12.448 10.975 -26.167 1.00 35.02 C ATOM 239 OG SER A 16 13.428 11.994 -26.070 1.00 31.44 O ATOM 0 H SER A 16 12.471 12.544 -23.978 1.00 14.11 H new ATOM 0 HA SER A 16 10.713 10.406 -25.033 1.00 22.02 H new ATOM 0 HB2 SER A 16 12.921 10.038 -26.461 1.00 35.02 H new ATOM 0 HB3 SER A 16 11.731 11.229 -26.948 1.00 35.02 H new ATOM 0 HG SER A 16 13.883 12.093 -26.932 1.00 31.44 H new ATOM 245 N PHE A 17 12.010 9.621 -22.731 1.00 74.03 N ATOM 246 CA PHE A 17 12.632 8.685 -21.802 1.00 61.13 C ATOM 247 C PHE A 17 11.759 7.449 -21.609 1.00 33.22 C ATOM 248 O PHE A 17 10.541 7.501 -21.783 1.00 73.34 O ATOM 249 CB PHE A 17 12.883 9.363 -20.454 1.00 35.45 C ATOM 250 CG PHE A 17 14.191 8.979 -19.824 1.00 43.50 C ATOM 251 CD1 PHE A 17 14.348 7.744 -19.217 1.00 32.10 C ATOM 252 CD2 PHE A 17 15.265 9.855 -19.839 1.00 11.30 C ATOM 253 CE1 PHE A 17 15.551 7.388 -18.637 1.00 40.10 C ATOM 254 CE2 PHE A 17 16.470 9.505 -19.261 1.00 65.21 C ATOM 255 CZ PHE A 17 16.613 8.270 -18.658 1.00 44.23 C ATOM 0 H PHE A 17 11.218 10.134 -22.345 1.00 74.03 H new ATOM 0 HA PHE A 17 13.586 8.371 -22.226 1.00 61.13 H new ATOM 0 HB2 PHE A 17 12.858 10.444 -20.590 1.00 35.45 H new ATOM 0 HB3 PHE A 17 12.072 9.109 -19.772 1.00 35.45 H new ATOM 0 HD1 PHE A 17 13.520 7.051 -19.197 1.00 32.10 H new ATOM 0 HD2 PHE A 17 15.159 10.822 -20.308 1.00 11.30 H new ATOM 0 HE1 PHE A 17 15.660 6.421 -18.168 1.00 40.10 H new ATOM 0 HE2 PHE A 17 17.300 10.196 -19.280 1.00 65.21 H new ATOM 0 HZ PHE A 17 17.554 7.995 -18.204 1.00 44.23 H new ATOM 265 N THR A 18 12.390 6.336 -21.247 1.00 40.12 N ATOM 266 CA THR A 18 11.673 5.086 -21.031 1.00 74.04 C ATOM 267 C THR A 18 11.627 4.727 -19.551 1.00 34.04 C ATOM 268 O THR A 18 12.625 4.851 -18.841 1.00 32.11 O ATOM 269 CB THR A 18 12.320 3.925 -21.810 1.00 3.05 C ATOM 270 OG1 THR A 18 11.543 2.733 -21.648 1.00 4.13 O ATOM 271 CG2 THR A 18 13.743 3.679 -21.329 1.00 75.42 C ATOM 0 H THR A 18 13.397 6.275 -21.097 1.00 40.12 H new ATOM 0 HA THR A 18 10.657 5.237 -21.397 1.00 74.04 H new ATOM 0 HB THR A 18 12.351 4.196 -22.865 1.00 3.05 H new ATOM 0 HG1 THR A 18 10.590 2.956 -21.688 1.00 4.13 H new ATOM 0 HG21 THR A 18 14.180 2.855 -21.893 1.00 75.42 H new ATOM 0 HG22 THR A 18 14.339 4.579 -21.480 1.00 75.42 H new ATOM 0 HG23 THR A 18 13.730 3.427 -20.269 1.00 75.42 H new ATOM 279 N ARG A 19 10.462 4.281 -19.091 1.00 2.14 N ATOM 280 CA ARG A 19 10.287 3.904 -17.693 1.00 55.51 C ATOM 281 C ARG A 19 9.790 2.466 -17.576 1.00 2.31 C ATOM 282 O ARG A 19 9.328 1.877 -18.553 1.00 35.01 O ATOM 283 CB ARG A 19 9.301 4.853 -17.007 1.00 64.31 C ATOM 284 CG ARG A 19 9.528 6.317 -17.347 1.00 22.30 C ATOM 285 CD ARG A 19 10.879 6.802 -16.845 1.00 40.32 C ATOM 286 NE ARG A 19 11.184 8.152 -17.312 1.00 55.14 N ATOM 287 CZ ARG A 19 10.649 9.249 -16.788 1.00 4.42 C ATOM 288 NH1 ARG A 19 9.789 9.157 -15.783 1.00 72.24 N ATOM 289 NH2 ARG A 19 10.976 10.443 -17.267 1.00 63.55 N ATOM 0 H ARG A 19 9.626 4.172 -19.665 1.00 2.14 H new ATOM 0 HA ARG A 19 11.256 3.977 -17.199 1.00 55.51 H new ATOM 0 HB2 ARG A 19 8.286 4.576 -17.291 1.00 64.31 H new ATOM 0 HB3 ARG A 19 9.377 4.724 -15.927 1.00 64.31 H new ATOM 0 HG2 ARG A 19 9.469 6.454 -18.427 1.00 22.30 H new ATOM 0 HG3 ARG A 19 8.736 6.921 -16.905 1.00 22.30 H new ATOM 0 HD2 ARG A 19 10.888 6.785 -15.755 1.00 40.32 H new ATOM 0 HD3 ARG A 19 11.658 6.117 -17.181 1.00 40.32 H new ATOM 0 HE ARG A 19 11.844 8.258 -18.083 1.00 55.14 H new ATOM 0 HH11 ARG A 19 9.536 8.242 -15.410 1.00 72.24 H new ATOM 0 HH12 ARG A 19 9.380 10.001 -15.383 1.00 72.24 H new ATOM 0 HH21 ARG A 19 11.639 10.519 -18.038 1.00 63.55 H new ATOM 0 HH22 ARG A 19 10.564 11.285 -16.864 1.00 63.55 H new ATOM 303 N TYR A 20 9.890 1.908 -16.375 1.00 64.40 N ATOM 304 CA TYR A 20 9.455 0.538 -16.131 1.00 33.24 C ATOM 305 C TYR A 20 8.018 0.506 -15.619 1.00 54.24 C ATOM 306 O TYR A 20 7.470 1.529 -15.208 1.00 5.44 O ATOM 307 CB TYR A 20 10.382 -0.142 -15.122 1.00 32.23 C ATOM 308 CG TYR A 20 9.993 0.104 -13.681 1.00 64.53 C ATOM 309 CD1 TYR A 20 9.001 -0.652 -13.070 1.00 31.31 C ATOM 310 CD2 TYR A 20 10.620 1.091 -12.931 1.00 41.33 C ATOM 311 CE1 TYR A 20 8.643 -0.431 -11.754 1.00 55.43 C ATOM 312 CE2 TYR A 20 10.269 1.319 -11.615 1.00 2.14 C ATOM 313 CZ TYR A 20 9.280 0.556 -11.031 1.00 34.01 C ATOM 314 OH TYR A 20 8.926 0.779 -9.720 1.00 25.03 O ATOM 0 H TYR A 20 10.268 2.383 -15.555 1.00 64.40 H new ATOM 0 HA TYR A 20 9.498 -0.003 -17.076 1.00 33.24 H new ATOM 0 HB2 TYR A 20 10.385 -1.216 -15.310 1.00 32.23 H new ATOM 0 HB3 TYR A 20 11.400 0.213 -15.280 1.00 32.23 H new ATOM 0 HD1 TYR A 20 8.501 -1.426 -13.633 1.00 31.31 H new ATOM 0 HD2 TYR A 20 11.395 1.690 -13.385 1.00 41.33 H new ATOM 0 HE1 TYR A 20 7.869 -1.027 -11.294 1.00 55.43 H new ATOM 0 HE2 TYR A 20 10.766 2.091 -11.046 1.00 2.14 H new ATOM 0 HH TYR A 20 8.293 1.526 -9.675 1.00 25.03 H new ATOM 324 N TYR A 21 7.412 -0.676 -15.649 1.00 3.24 N ATOM 325 CA TYR A 21 6.038 -0.842 -15.190 1.00 63.43 C ATOM 326 C TYR A 21 5.763 -2.294 -14.811 1.00 32.23 C ATOM 327 O TYR A 21 5.742 -3.179 -15.667 1.00 51.51 O ATOM 328 CB TYR A 21 5.058 -0.393 -16.275 1.00 44.43 C ATOM 329 CG TYR A 21 3.871 0.375 -15.739 1.00 24.12 C ATOM 330 CD1 TYR A 21 3.174 -0.076 -14.625 1.00 12.12 C ATOM 331 CD2 TYR A 21 3.447 1.550 -16.346 1.00 54.10 C ATOM 332 CE1 TYR A 21 2.088 0.622 -14.131 1.00 62.53 C ATOM 333 CE2 TYR A 21 2.363 2.255 -15.859 1.00 21.14 C ATOM 334 CZ TYR A 21 1.687 1.787 -14.751 1.00 61.53 C ATOM 335 OH TYR A 21 0.606 2.485 -14.264 1.00 23.15 O ATOM 0 H TYR A 21 7.851 -1.533 -15.986 1.00 3.24 H new ATOM 0 HA TYR A 21 5.900 -0.221 -14.305 1.00 63.43 H new ATOM 0 HB2 TYR A 21 5.588 0.230 -16.996 1.00 44.43 H new ATOM 0 HB3 TYR A 21 4.699 -1.270 -16.814 1.00 44.43 H new ATOM 0 HD1 TYR A 21 3.486 -0.987 -14.137 1.00 12.12 H new ATOM 0 HD2 TYR A 21 3.974 1.919 -17.214 1.00 54.10 H new ATOM 0 HE1 TYR A 21 1.556 0.257 -13.264 1.00 62.53 H new ATOM 0 HE2 TYR A 21 2.047 3.167 -16.343 1.00 21.14 H new ATOM 0 HH TYR A 21 0.237 3.053 -14.973 1.00 23.15 H new ATOM 345 N TYR A 22 5.551 -2.531 -13.521 1.00 24.40 N ATOM 346 CA TYR A 22 5.279 -3.875 -13.026 1.00 33.53 C ATOM 347 C TYR A 22 3.809 -4.028 -12.644 1.00 5.30 C ATOM 348 O TYR A 22 3.238 -3.168 -11.975 1.00 41.54 O ATOM 349 CB TYR A 22 6.166 -4.187 -11.819 1.00 14.30 C ATOM 350 CG TYR A 22 6.185 -5.651 -11.444 1.00 20.25 C ATOM 351 CD1 TYR A 22 5.042 -6.283 -10.970 1.00 53.32 C ATOM 352 CD2 TYR A 22 7.347 -6.404 -11.563 1.00 41.31 C ATOM 353 CE1 TYR A 22 5.055 -7.620 -10.625 1.00 63.33 C ATOM 354 CE2 TYR A 22 7.370 -7.742 -11.222 1.00 34.21 C ATOM 355 CZ TYR A 22 6.221 -8.346 -10.753 1.00 44.21 C ATOM 356 OH TYR A 22 6.239 -9.679 -10.412 1.00 13.21 O ATOM 0 H TYR A 22 5.562 -1.810 -12.800 1.00 24.40 H new ATOM 0 HA TYR A 22 5.504 -4.581 -13.825 1.00 33.53 H new ATOM 0 HB2 TYR A 22 7.184 -3.862 -12.033 1.00 14.30 H new ATOM 0 HB3 TYR A 22 5.819 -3.606 -10.964 1.00 14.30 H new ATOM 0 HD1 TYR A 22 4.127 -5.718 -10.870 1.00 53.32 H new ATOM 0 HD2 TYR A 22 8.248 -5.934 -11.929 1.00 41.31 H new ATOM 0 HE1 TYR A 22 4.157 -8.095 -10.257 1.00 63.33 H new ATOM 0 HE2 TYR A 22 8.282 -8.312 -11.322 1.00 34.21 H new ATOM 0 HH TYR A 22 6.377 -10.221 -11.217 1.00 13.21 H new ATOM 366 N ASN A 23 3.204 -5.130 -13.074 1.00 63.12 N ATOM 367 CA ASN A 23 1.801 -5.397 -12.778 1.00 44.02 C ATOM 368 C ASN A 23 1.649 -6.696 -11.993 1.00 73.31 C ATOM 369 O ASN A 23 2.232 -7.719 -12.349 1.00 23.52 O ATOM 370 CB ASN A 23 0.991 -5.472 -14.074 1.00 33.45 C ATOM 371 CG ASN A 23 1.832 -5.910 -15.257 1.00 74.12 C ATOM 372 OD1 ASN A 23 2.473 -5.090 -15.914 1.00 52.04 O ATOM 373 ND2 ASN A 23 1.832 -7.209 -15.534 1.00 41.25 N ATOM 0 H ASN A 23 3.663 -5.853 -13.629 1.00 63.12 H new ATOM 0 HA ASN A 23 1.421 -4.578 -12.167 1.00 44.02 H new ATOM 0 HB2 ASN A 23 0.163 -6.169 -13.942 1.00 33.45 H new ATOM 0 HB3 ASN A 23 0.555 -4.495 -14.284 1.00 33.45 H new ATOM 0 HD21 ASN A 23 2.379 -7.563 -16.319 1.00 41.25 H new ATOM 0 HD22 ASN A 23 1.285 -7.852 -14.962 1.00 41.25 H new ATOM 380 N GLU A 24 0.860 -6.646 -10.924 1.00 73.44 N ATOM 381 CA GLU A 24 0.631 -7.820 -10.089 1.00 52.43 C ATOM 382 C GLU A 24 -0.324 -8.795 -10.771 1.00 71.15 C ATOM 383 O GLU A 24 -0.208 -10.009 -10.609 1.00 23.15 O ATOM 384 CB GLU A 24 0.066 -7.403 -8.730 1.00 22.05 C ATOM 385 CG GLU A 24 -0.715 -8.504 -8.032 1.00 12.42 C ATOM 386 CD GLU A 24 0.101 -9.767 -7.840 1.00 61.00 C ATOM 387 OE1 GLU A 24 1.341 -9.699 -7.972 1.00 11.21 O ATOM 388 OE2 GLU A 24 -0.501 -10.824 -7.558 1.00 22.34 O ATOM 0 H GLU A 24 0.369 -5.807 -10.616 1.00 73.44 H new ATOM 0 HA GLU A 24 1.588 -8.320 -9.939 1.00 52.43 H new ATOM 0 HB2 GLU A 24 0.887 -7.087 -8.086 1.00 22.05 H new ATOM 0 HB3 GLU A 24 -0.584 -6.538 -8.866 1.00 22.05 H new ATOM 0 HG2 GLU A 24 -1.054 -8.144 -7.061 1.00 12.42 H new ATOM 0 HG3 GLU A 24 -1.606 -8.737 -8.614 1.00 12.42 H new ATOM 395 N GLU A 25 -1.268 -8.254 -11.535 1.00 50.32 N ATOM 396 CA GLU A 25 -2.244 -9.076 -12.241 1.00 22.23 C ATOM 397 C GLU A 25 -1.568 -10.273 -12.904 1.00 53.13 C ATOM 398 O GLU A 25 -2.145 -11.357 -12.987 1.00 23.40 O ATOM 399 CB GLU A 25 -2.980 -8.244 -13.293 1.00 3.12 C ATOM 400 CG GLU A 25 -4.346 -7.759 -12.839 1.00 33.23 C ATOM 401 CD GLU A 25 -4.968 -6.773 -13.809 1.00 24.13 C ATOM 402 OE1 GLU A 25 -4.232 -6.237 -14.663 1.00 42.21 O ATOM 403 OE2 GLU A 25 -6.191 -6.538 -13.713 1.00 65.20 O ATOM 0 H GLU A 25 -1.378 -7.250 -11.681 1.00 50.32 H new ATOM 0 HA GLU A 25 -2.965 -9.445 -11.512 1.00 22.23 H new ATOM 0 HB2 GLU A 25 -2.367 -7.382 -13.556 1.00 3.12 H new ATOM 0 HB3 GLU A 25 -3.098 -8.840 -14.198 1.00 3.12 H new ATOM 0 HG2 GLU A 25 -5.010 -8.615 -12.721 1.00 33.23 H new ATOM 0 HG3 GLU A 25 -4.254 -7.290 -11.859 1.00 33.23 H new ATOM 410 N SER A 26 -0.343 -10.067 -13.376 1.00 40.32 N ATOM 411 CA SER A 26 0.410 -11.126 -14.037 1.00 22.44 C ATOM 412 C SER A 26 1.760 -11.339 -13.357 1.00 15.51 C ATOM 413 O SER A 26 2.483 -12.283 -13.670 1.00 45.42 O ATOM 414 CB SER A 26 0.618 -10.789 -15.514 1.00 41.42 C ATOM 415 OG SER A 26 1.479 -11.727 -16.136 1.00 4.25 O ATOM 0 H SER A 26 0.149 -9.176 -13.313 1.00 40.32 H new ATOM 0 HA SER A 26 -0.166 -12.048 -13.960 1.00 22.44 H new ATOM 0 HB2 SER A 26 -0.344 -10.778 -16.027 1.00 41.42 H new ATOM 0 HB3 SER A 26 1.039 -9.788 -15.606 1.00 41.42 H new ATOM 0 HG SER A 26 1.594 -11.490 -17.080 1.00 4.25 H new ATOM 421 N GLY A 27 2.091 -10.452 -12.423 1.00 51.43 N ATOM 422 CA GLY A 27 3.352 -10.558 -11.713 1.00 61.04 C ATOM 423 C GLY A 27 4.549 -10.431 -12.635 1.00 52.01 C ATOM 424 O GLY A 27 5.554 -11.120 -12.459 1.00 51.10 O ATOM 0 H GLY A 27 1.508 -9.662 -12.146 1.00 51.43 H new ATOM 0 HA2 GLY A 27 3.402 -9.782 -10.949 1.00 61.04 H new ATOM 0 HA3 GLY A 27 3.395 -11.517 -11.197 1.00 61.04 H new ATOM 428 N LYS A 28 4.442 -9.549 -13.623 1.00 12.43 N ATOM 429 CA LYS A 28 5.523 -9.333 -14.577 1.00 51.21 C ATOM 430 C LYS A 28 5.903 -7.857 -14.644 1.00 22.23 C ATOM 431 O LYS A 28 5.247 -7.008 -14.039 1.00 70.44 O ATOM 432 CB LYS A 28 5.111 -9.828 -15.966 1.00 4.45 C ATOM 433 CG LYS A 28 4.397 -11.168 -15.947 1.00 23.03 C ATOM 434 CD LYS A 28 5.299 -12.273 -15.422 1.00 12.22 C ATOM 435 CE LYS A 28 4.907 -13.629 -15.990 1.00 4.54 C ATOM 436 NZ LYS A 28 4.172 -14.456 -14.994 1.00 15.55 N ATOM 0 H LYS A 28 3.617 -8.972 -13.784 1.00 12.43 H new ATOM 0 HA LYS A 28 6.391 -9.899 -14.239 1.00 51.21 H new ATOM 0 HB2 LYS A 28 4.461 -9.086 -16.429 1.00 4.45 H new ATOM 0 HB3 LYS A 28 6.000 -9.908 -16.592 1.00 4.45 H new ATOM 0 HG2 LYS A 28 3.506 -11.098 -15.324 1.00 23.03 H new ATOM 0 HG3 LYS A 28 4.063 -11.418 -16.954 1.00 23.03 H new ATOM 0 HD2 LYS A 28 6.334 -12.054 -15.683 1.00 12.22 H new ATOM 0 HD3 LYS A 28 5.244 -12.303 -14.334 1.00 12.22 H new ATOM 0 HE2 LYS A 28 4.285 -13.486 -16.874 1.00 4.54 H new ATOM 0 HE3 LYS A 28 5.802 -14.160 -16.313 1.00 4.54 H new ATOM 0 HZ1 LYS A 28 3.610 -15.178 -15.489 1.00 15.55 H new ATOM 0 HZ2 LYS A 28 4.852 -14.921 -14.360 1.00 15.55 H new ATOM 0 HZ3 LYS A 28 3.539 -13.847 -14.437 1.00 15.55 H new ATOM 450 N CYS A 29 6.966 -7.558 -15.383 1.00 0.30 N ATOM 451 CA CYS A 29 7.434 -6.185 -15.530 1.00 14.40 C ATOM 452 C CYS A 29 7.664 -5.843 -16.999 1.00 54.23 C ATOM 453 O CYS A 29 7.890 -6.727 -17.824 1.00 71.41 O ATOM 454 CB CYS A 29 8.726 -5.976 -14.738 1.00 71.21 C ATOM 455 SG CYS A 29 9.113 -4.230 -14.393 1.00 1.10 S ATOM 0 H CYS A 29 7.520 -8.249 -15.890 1.00 0.30 H new ATOM 0 HA CYS A 29 6.664 -5.521 -15.137 1.00 14.40 H new ATOM 0 HB2 CYS A 29 8.651 -6.514 -13.793 1.00 71.21 H new ATOM 0 HB3 CYS A 29 9.554 -6.418 -15.292 1.00 71.21 H new ATOM 460 N GLU A 30 7.604 -4.553 -17.318 1.00 22.45 N ATOM 461 CA GLU A 30 7.806 -4.095 -18.687 1.00 75.21 C ATOM 462 C GLU A 30 8.299 -2.651 -18.711 1.00 21.51 C ATOM 463 O GLU A 30 8.554 -2.053 -17.665 1.00 43.55 O ATOM 464 CB GLU A 30 6.505 -4.214 -19.485 1.00 22.43 C ATOM 465 CG GLU A 30 5.280 -3.728 -18.728 1.00 64.41 C ATOM 466 CD GLU A 30 4.517 -4.859 -18.067 1.00 34.13 C ATOM 467 OE1 GLU A 30 4.915 -5.278 -16.960 1.00 44.40 O ATOM 468 OE2 GLU A 30 3.519 -5.325 -18.657 1.00 22.14 O ATOM 0 H GLU A 30 7.417 -3.808 -16.647 1.00 22.45 H new ATOM 0 HA GLU A 30 8.566 -4.728 -19.146 1.00 75.21 H new ATOM 0 HB2 GLU A 30 6.601 -3.643 -20.408 1.00 22.43 H new ATOM 0 HB3 GLU A 30 6.357 -5.256 -19.769 1.00 22.43 H new ATOM 0 HG2 GLU A 30 5.588 -3.010 -17.968 1.00 64.41 H new ATOM 0 HG3 GLU A 30 4.618 -3.201 -19.415 1.00 64.41 H new ATOM 475 N THR A 31 8.432 -2.097 -19.912 1.00 63.40 N ATOM 476 CA THR A 31 8.897 -0.725 -20.074 1.00 33.44 C ATOM 477 C THR A 31 8.054 0.023 -21.099 1.00 55.34 C ATOM 478 O THR A 31 7.463 -0.583 -21.994 1.00 1.33 O ATOM 479 CB THR A 31 10.374 -0.680 -20.508 1.00 52.24 C ATOM 480 OG1 THR A 31 10.558 -1.454 -21.699 1.00 41.30 O ATOM 481 CG2 THR A 31 11.279 -1.211 -19.407 1.00 73.10 C ATOM 0 H THR A 31 8.224 -2.578 -20.787 1.00 63.40 H new ATOM 0 HA THR A 31 8.797 -0.240 -19.103 1.00 33.44 H new ATOM 0 HB THR A 31 10.640 0.358 -20.705 1.00 52.24 H new ATOM 0 HG1 THR A 31 11.499 -1.419 -21.970 1.00 41.30 H new ATOM 0 HG21 THR A 31 12.317 -1.169 -19.737 1.00 73.10 H new ATOM 0 HG22 THR A 31 11.158 -0.602 -18.511 1.00 73.10 H new ATOM 0 HG23 THR A 31 11.011 -2.243 -19.182 1.00 73.10 H new ATOM 489 N PHE A 32 8.002 1.344 -20.965 1.00 13.31 N ATOM 490 CA PHE A 32 7.230 2.176 -21.881 1.00 11.33 C ATOM 491 C PHE A 32 7.898 3.534 -22.076 1.00 13.31 C ATOM 492 O PHE A 32 9.002 3.771 -21.586 1.00 23.33 O ATOM 493 CB PHE A 32 5.806 2.367 -21.354 1.00 21.53 C ATOM 494 CG PHE A 32 5.741 3.145 -20.071 1.00 53.40 C ATOM 495 CD1 PHE A 32 6.159 2.578 -18.878 1.00 74.43 C ATOM 496 CD2 PHE A 32 5.261 4.445 -20.058 1.00 51.21 C ATOM 497 CE1 PHE A 32 6.100 3.292 -17.696 1.00 62.32 C ATOM 498 CE2 PHE A 32 5.201 5.164 -18.879 1.00 55.13 C ATOM 499 CZ PHE A 32 5.619 4.586 -17.697 1.00 5.32 C ATOM 0 H PHE A 32 8.485 1.862 -20.231 1.00 13.31 H new ATOM 0 HA PHE A 32 7.188 1.669 -22.845 1.00 11.33 H new ATOM 0 HB2 PHE A 32 5.213 2.880 -22.111 1.00 21.53 H new ATOM 0 HB3 PHE A 32 5.350 1.389 -21.200 1.00 21.53 H new ATOM 0 HD1 PHE A 32 6.536 1.566 -18.872 1.00 74.43 H new ATOM 0 HD2 PHE A 32 4.930 4.901 -20.979 1.00 51.21 H new ATOM 0 HE1 PHE A 32 6.430 2.838 -16.773 1.00 62.32 H new ATOM 0 HE2 PHE A 32 4.827 6.177 -18.882 1.00 55.13 H new ATOM 0 HZ PHE A 32 5.570 5.145 -16.774 1.00 5.32 H new ATOM 509 N ILE A 33 7.220 4.422 -22.795 1.00 52.24 N ATOM 510 CA ILE A 33 7.747 5.756 -23.055 1.00 54.31 C ATOM 511 C ILE A 33 7.039 6.803 -22.200 1.00 64.45 C ATOM 512 O ILE A 33 5.825 6.742 -22.004 1.00 64.33 O ATOM 513 CB ILE A 33 7.602 6.139 -24.540 1.00 11.42 C ATOM 514 CG1 ILE A 33 8.255 5.079 -25.429 1.00 20.14 C ATOM 515 CG2 ILE A 33 8.218 7.506 -24.797 1.00 5.34 C ATOM 516 CD1 ILE A 33 7.929 5.237 -26.897 1.00 50.22 C ATOM 0 H ILE A 33 6.305 4.242 -23.208 1.00 52.24 H new ATOM 0 HA ILE A 33 8.805 5.733 -22.796 1.00 54.31 H new ATOM 0 HB ILE A 33 6.541 6.188 -24.785 1.00 11.42 H new ATOM 0 HG12 ILE A 33 9.336 5.123 -25.299 1.00 20.14 H new ATOM 0 HG13 ILE A 33 7.934 4.091 -25.098 1.00 20.14 H new ATOM 0 HG21 ILE A 33 8.108 7.763 -25.851 1.00 5.34 H new ATOM 0 HG22 ILE A 33 7.712 8.254 -24.187 1.00 5.34 H new ATOM 0 HG23 ILE A 33 9.277 7.483 -24.538 1.00 5.34 H new ATOM 0 HD11 ILE A 33 8.426 4.452 -27.467 1.00 50.22 H new ATOM 0 HD12 ILE A 33 6.851 5.163 -27.040 1.00 50.22 H new ATOM 0 HD13 ILE A 33 8.275 6.211 -27.244 1.00 50.22 H new ATOM 528 N TYR A 34 7.806 7.763 -21.696 1.00 22.41 N ATOM 529 CA TYR A 34 7.254 8.823 -20.861 1.00 75.14 C ATOM 530 C TYR A 34 7.550 10.196 -21.457 1.00 61.35 C ATOM 531 O TYR A 34 8.632 10.432 -21.994 1.00 75.44 O ATOM 532 CB TYR A 34 7.824 8.736 -19.445 1.00 20.41 C ATOM 533 CG TYR A 34 7.286 9.794 -18.509 1.00 50.31 C ATOM 534 CD1 TYR A 34 6.037 9.656 -17.916 1.00 40.24 C ATOM 535 CD2 TYR A 34 8.027 10.933 -18.217 1.00 24.31 C ATOM 536 CE1 TYR A 34 5.541 10.621 -17.061 1.00 44.45 C ATOM 537 CE2 TYR A 34 7.540 11.902 -17.362 1.00 3.41 C ATOM 538 CZ TYR A 34 6.297 11.742 -16.787 1.00 53.52 C ATOM 539 OH TYR A 34 5.807 12.706 -15.935 1.00 21.40 O ATOM 0 H TYR A 34 8.812 7.829 -21.851 1.00 22.41 H new ATOM 0 HA TYR A 34 6.173 8.690 -20.818 1.00 75.14 H new ATOM 0 HB2 TYR A 34 7.602 7.752 -19.033 1.00 20.41 H new ATOM 0 HB3 TYR A 34 8.909 8.824 -19.493 1.00 20.41 H new ATOM 0 HD1 TYR A 34 5.443 8.779 -18.127 1.00 40.24 H new ATOM 0 HD2 TYR A 34 9.000 11.063 -18.666 1.00 24.31 H new ATOM 0 HE1 TYR A 34 4.567 10.499 -16.610 1.00 44.45 H new ATOM 0 HE2 TYR A 34 8.130 12.780 -17.145 1.00 3.41 H new ATOM 0 HH TYR A 34 4.868 12.887 -16.151 1.00 21.40 H new ATOM 549 N GLY A 35 6.580 11.099 -21.358 1.00 13.33 N ATOM 550 CA GLY A 35 6.755 12.438 -21.890 1.00 72.21 C ATOM 551 C GLY A 35 6.858 13.486 -20.800 1.00 52.44 C ATOM 552 O GLY A 35 7.648 13.347 -19.868 1.00 0.22 O ATOM 0 H GLY A 35 5.676 10.927 -20.919 1.00 13.33 H new ATOM 0 HA2 GLY A 35 7.655 12.467 -22.504 1.00 72.21 H new ATOM 0 HA3 GLY A 35 5.916 12.679 -22.543 1.00 72.21 H new ATOM 556 N GLY A 36 6.057 14.541 -20.919 1.00 1.54 N ATOM 557 CA GLY A 36 6.079 15.603 -19.930 1.00 14.52 C ATOM 558 C GLY A 36 4.858 15.584 -19.031 1.00 61.40 C ATOM 559 O GLY A 36 4.784 16.330 -18.055 1.00 45.30 O ATOM 0 H GLY A 36 5.394 14.679 -21.682 1.00 1.54 H new ATOM 0 HA2 GLY A 36 6.977 15.508 -19.320 1.00 14.52 H new ATOM 0 HA3 GLY A 36 6.138 16.566 -20.437 1.00 14.52 H new ATOM 563 N VAL A 37 3.896 14.728 -19.361 1.00 20.31 N ATOM 564 CA VAL A 37 2.672 14.614 -18.577 1.00 21.23 C ATOM 565 C VAL A 37 2.891 13.752 -17.338 1.00 60.25 C ATOM 566 O VAL A 37 3.647 12.782 -17.370 1.00 44.11 O ATOM 567 CB VAL A 37 1.525 14.013 -19.411 1.00 0.13 C ATOM 568 CG1 VAL A 37 0.282 13.829 -18.554 1.00 55.12 C ATOM 569 CG2 VAL A 37 1.227 14.891 -20.616 1.00 52.54 C ATOM 0 H VAL A 37 3.941 14.103 -20.166 1.00 20.31 H new ATOM 0 HA VAL A 37 2.398 15.623 -18.270 1.00 21.23 H new ATOM 0 HB VAL A 37 1.836 13.033 -19.773 1.00 0.13 H new ATOM 0 HG11 VAL A 37 -0.518 13.403 -19.160 1.00 55.12 H new ATOM 0 HG12 VAL A 37 0.507 13.157 -17.726 1.00 55.12 H new ATOM 0 HG13 VAL A 37 -0.035 14.795 -18.161 1.00 55.12 H new ATOM 0 HG21 VAL A 37 0.414 14.452 -21.194 1.00 52.54 H new ATOM 0 HG22 VAL A 37 0.936 15.886 -20.278 1.00 52.54 H new ATOM 0 HG23 VAL A 37 2.117 14.966 -21.241 1.00 52.54 H new ATOM 579 N GLY A 38 2.223 14.112 -16.247 1.00 55.41 N ATOM 580 CA GLY A 38 2.357 13.361 -15.013 1.00 0.33 C ATOM 581 C GLY A 38 1.989 11.900 -15.180 1.00 41.40 C ATOM 582 O GLY A 38 0.881 11.577 -15.605 1.00 33.25 O ATOM 0 H GLY A 38 1.591 14.911 -16.196 1.00 55.41 H new ATOM 0 HA2 GLY A 38 3.384 13.435 -14.656 1.00 0.33 H new ATOM 0 HA3 GLY A 38 1.721 13.808 -14.249 1.00 0.33 H new ATOM 586 N GLY A 39 2.923 11.014 -14.847 1.00 11.33 N ATOM 587 CA GLY A 39 2.672 9.590 -14.971 1.00 44.31 C ATOM 588 C GLY A 39 2.119 8.985 -13.696 1.00 45.30 C ATOM 589 O GLY A 39 2.126 9.624 -12.645 1.00 14.03 O ATOM 0 H GLY A 39 3.849 11.257 -14.494 1.00 11.33 H new ATOM 0 HA2 GLY A 39 1.969 9.418 -15.786 1.00 44.31 H new ATOM 0 HA3 GLY A 39 3.599 9.083 -15.238 1.00 44.31 H new ATOM 593 N ASN A 40 1.638 7.750 -13.789 1.00 62.13 N ATOM 594 CA ASN A 40 1.077 7.059 -12.634 1.00 54.21 C ATOM 595 C ASN A 40 2.123 6.895 -11.536 1.00 44.34 C ATOM 596 O ASN A 40 3.192 7.504 -11.588 1.00 23.41 O ATOM 597 CB ASN A 40 0.535 5.689 -13.047 1.00 30.04 C ATOM 598 CG ASN A 40 -0.128 5.716 -14.410 1.00 52.11 C ATOM 599 OD1 ASN A 40 0.543 5.660 -15.441 1.00 21.55 O ATOM 600 ND2 ASN A 40 -1.453 5.803 -14.422 1.00 13.23 N ATOM 0 H ASN A 40 1.625 7.207 -14.652 1.00 62.13 H new ATOM 0 HA ASN A 40 0.259 7.663 -12.243 1.00 54.21 H new ATOM 0 HB2 ASN A 40 1.351 4.967 -13.057 1.00 30.04 H new ATOM 0 HB3 ASN A 40 -0.184 5.347 -12.303 1.00 30.04 H new ATOM 0 HD21 ASN A 40 -1.955 5.826 -15.310 1.00 13.23 H new ATOM 0 HD22 ASN A 40 -1.969 5.847 -13.543 1.00 13.23 H new ATOM 607 N SER A 41 1.808 6.069 -10.544 1.00 62.33 N ATOM 608 CA SER A 41 2.720 5.827 -9.432 1.00 73.32 C ATOM 609 C SER A 41 3.825 4.856 -9.837 1.00 40.11 C ATOM 610 O SER A 41 4.727 4.563 -9.053 1.00 53.31 O ATOM 611 CB SER A 41 1.954 5.272 -8.229 1.00 43.50 C ATOM 612 OG SER A 41 2.747 5.319 -7.055 1.00 73.41 O ATOM 0 H SER A 41 0.928 5.556 -10.487 1.00 62.33 H new ATOM 0 HA SER A 41 3.178 6.777 -9.156 1.00 73.32 H new ATOM 0 HB2 SER A 41 1.041 5.847 -8.078 1.00 43.50 H new ATOM 0 HB3 SER A 41 1.653 4.243 -8.428 1.00 43.50 H new ATOM 0 HG SER A 41 3.677 5.106 -7.280 1.00 73.41 H new ATOM 618 N ASN A 42 3.747 4.360 -11.068 1.00 0.52 N ATOM 619 CA ASN A 42 4.740 3.422 -11.578 1.00 51.02 C ATOM 620 C ASN A 42 5.650 4.096 -12.601 1.00 31.32 C ATOM 621 O ASN A 42 6.209 3.438 -13.478 1.00 13.14 O ATOM 622 CB ASN A 42 4.050 2.212 -12.212 1.00 22.04 C ATOM 623 CG ASN A 42 4.545 0.898 -11.638 1.00 2.43 C ATOM 624 OD1 ASN A 42 5.859 0.778 -11.484 1.00 12.30 O flip ATOM 625 ND2 ASN A 42 3.756 0.003 -11.336 1.00 33.30 N flip ATOM 0 H ASN A 42 3.007 4.592 -11.730 1.00 0.52 H new ATOM 0 HA ASN A 42 5.351 3.086 -10.740 1.00 51.02 H new ATOM 0 HB2 ASN A 42 2.974 2.290 -12.059 1.00 22.04 H new ATOM 0 HB3 ASN A 42 4.221 2.222 -13.288 1.00 22.04 H new ATOM 0 HD21 ASN A 42 2.754 0.139 -11.472 1.00 33.30 H new ATOM 0 HD22 ASN A 42 4.104 -0.875 -10.950 1.00 33.30 H new ATOM 632 N ASN A 43 5.794 5.411 -12.481 1.00 11.53 N ATOM 633 CA ASN A 43 6.636 6.175 -13.394 1.00 62.24 C ATOM 634 C ASN A 43 8.023 6.398 -12.798 1.00 15.41 C ATOM 635 O ASN A 43 8.208 7.258 -11.936 1.00 21.41 O ATOM 636 CB ASN A 43 5.985 7.521 -13.718 1.00 34.14 C ATOM 637 CG ASN A 43 6.643 8.214 -14.894 1.00 45.43 C ATOM 638 OD1 ASN A 43 6.775 7.638 -15.974 1.00 43.33 O ATOM 639 ND2 ASN A 43 7.061 9.458 -14.690 1.00 3.24 N ATOM 0 H ASN A 43 5.338 5.970 -11.760 1.00 11.53 H new ATOM 0 HA ASN A 43 6.744 5.601 -14.314 1.00 62.24 H new ATOM 0 HB2 ASN A 43 4.928 7.367 -13.936 1.00 34.14 H new ATOM 0 HB3 ASN A 43 6.039 8.168 -12.842 1.00 34.14 H new ATOM 0 HD21 ASN A 43 7.512 9.975 -15.445 1.00 3.24 H new ATOM 0 HD22 ASN A 43 6.931 9.897 -13.778 1.00 3.24 H new ATOM 646 N PHE A 44 8.993 5.619 -13.263 1.00 45.42 N ATOM 647 CA PHE A 44 10.363 5.732 -12.776 1.00 63.30 C ATOM 648 C PHE A 44 11.358 5.285 -13.843 1.00 44.21 C ATOM 649 O PHE A 44 11.149 4.279 -14.522 1.00 30.45 O ATOM 650 CB PHE A 44 10.547 4.894 -11.509 1.00 72.40 C ATOM 651 CG PHE A 44 9.668 5.327 -10.371 1.00 12.41 C ATOM 652 CD1 PHE A 44 9.911 6.518 -9.706 1.00 15.52 C ATOM 653 CD2 PHE A 44 8.599 4.544 -9.967 1.00 14.54 C ATOM 654 CE1 PHE A 44 9.104 6.919 -8.658 1.00 13.42 C ATOM 655 CE2 PHE A 44 7.788 4.941 -8.919 1.00 70.54 C ATOM 656 CZ PHE A 44 8.040 6.130 -8.265 1.00 4.11 C ATOM 0 H PHE A 44 8.856 4.903 -13.976 1.00 45.42 H new ATOM 0 HA PHE A 44 10.554 6.779 -12.542 1.00 63.30 H new ATOM 0 HB2 PHE A 44 10.339 3.849 -11.741 1.00 72.40 H new ATOM 0 HB3 PHE A 44 11.589 4.950 -11.194 1.00 72.40 H new ATOM 0 HD1 PHE A 44 10.740 7.140 -10.010 1.00 15.52 H new ATOM 0 HD2 PHE A 44 8.396 3.613 -10.476 1.00 14.54 H new ATOM 0 HE1 PHE A 44 9.305 7.849 -8.146 1.00 13.42 H new ATOM 0 HE2 PHE A 44 6.958 4.321 -8.613 1.00 70.54 H new ATOM 0 HZ PHE A 44 7.407 6.443 -7.448 1.00 4.11 H new ATOM 666 N LEU A 45 12.441 6.041 -13.987 1.00 24.04 N ATOM 667 CA LEU A 45 13.470 5.725 -14.971 1.00 61.35 C ATOM 668 C LEU A 45 14.337 4.562 -14.499 1.00 71.23 C ATOM 669 O LEU A 45 15.293 4.173 -15.171 1.00 21.53 O ATOM 670 CB LEU A 45 14.344 6.952 -15.237 1.00 71.23 C ATOM 671 CG LEU A 45 13.634 8.305 -15.186 1.00 50.11 C ATOM 672 CD1 LEU A 45 13.854 8.972 -13.837 1.00 51.53 C ATOM 673 CD2 LEU A 45 14.119 9.205 -16.314 1.00 33.34 C ATOM 0 H LEU A 45 12.629 6.877 -13.434 1.00 24.04 H new ATOM 0 HA LEU A 45 12.974 5.432 -15.896 1.00 61.35 H new ATOM 0 HB2 LEU A 45 15.154 6.961 -14.508 1.00 71.23 H new ATOM 0 HB3 LEU A 45 14.802 6.841 -16.220 1.00 71.23 H new ATOM 0 HG LEU A 45 12.565 8.138 -15.316 1.00 50.11 H new ATOM 0 HD11 LEU A 45 13.342 9.934 -13.819 1.00 51.53 H new ATOM 0 HD12 LEU A 45 13.457 8.334 -13.047 1.00 51.53 H new ATOM 0 HD13 LEU A 45 14.921 9.126 -13.677 1.00 51.53 H new ATOM 0 HD21 LEU A 45 13.603 10.164 -16.262 1.00 33.34 H new ATOM 0 HD22 LEU A 45 15.193 9.365 -16.216 1.00 33.34 H new ATOM 0 HD23 LEU A 45 13.909 8.731 -17.273 1.00 33.34 H new ATOM 685 N THR A 46 13.995 4.008 -13.340 1.00 2.32 N ATOM 686 CA THR A 46 14.741 2.889 -12.778 1.00 12.21 C ATOM 687 C THR A 46 14.516 1.617 -13.587 1.00 42.14 C ATOM 688 O THR A 46 13.572 1.527 -14.373 1.00 24.11 O ATOM 689 CB THR A 46 14.344 2.629 -11.313 1.00 35.53 C ATOM 690 OG1 THR A 46 13.069 1.979 -11.259 1.00 33.41 O ATOM 691 CG2 THR A 46 14.288 3.930 -10.527 1.00 44.12 C ATOM 0 H THR A 46 13.206 4.316 -12.772 1.00 2.32 H new ATOM 0 HA THR A 46 15.796 3.160 -12.818 1.00 12.21 H new ATOM 0 HB THR A 46 15.100 1.985 -10.865 1.00 35.53 H new ATOM 0 HG1 THR A 46 12.529 2.254 -12.029 1.00 33.41 H new ATOM 0 HG21 THR A 46 14.005 3.720 -9.495 1.00 44.12 H new ATOM 0 HG22 THR A 46 15.267 4.408 -10.545 1.00 44.12 H new ATOM 0 HG23 THR A 46 13.551 4.595 -10.977 1.00 44.12 H new ATOM 699 N LYS A 47 15.389 0.635 -13.391 1.00 33.42 N ATOM 700 CA LYS A 47 15.285 -0.635 -14.101 1.00 2.31 C ATOM 701 C LYS A 47 15.150 -1.796 -13.122 1.00 33.52 C ATOM 702 O LYS A 47 14.053 -2.308 -12.900 1.00 53.24 O ATOM 703 CB LYS A 47 16.511 -0.845 -14.992 1.00 62.43 C ATOM 704 CG LYS A 47 16.225 -0.665 -16.473 1.00 72.50 C ATOM 705 CD LYS A 47 15.772 -1.966 -17.115 1.00 55.24 C ATOM 706 CE LYS A 47 16.948 -2.889 -17.396 1.00 14.50 C ATOM 707 NZ LYS A 47 16.837 -3.537 -18.732 1.00 23.00 N ATOM 0 H LYS A 47 16.177 0.694 -12.746 1.00 33.42 H new ATOM 0 HA LYS A 47 14.391 -0.603 -14.724 1.00 2.31 H new ATOM 0 HB2 LYS A 47 17.291 -0.144 -14.693 1.00 62.43 H new ATOM 0 HB3 LYS A 47 16.903 -1.848 -14.826 1.00 62.43 H new ATOM 0 HG2 LYS A 47 15.455 0.095 -16.606 1.00 72.50 H new ATOM 0 HG3 LYS A 47 17.121 -0.302 -16.976 1.00 72.50 H new ATOM 0 HD2 LYS A 47 15.062 -2.469 -16.458 1.00 55.24 H new ATOM 0 HD3 LYS A 47 15.247 -1.750 -18.046 1.00 55.24 H new ATOM 0 HE2 LYS A 47 17.876 -2.320 -17.344 1.00 14.50 H new ATOM 0 HE3 LYS A 47 17.000 -3.656 -16.623 1.00 14.50 H new ATOM 0 HZ1 LYS A 47 17.657 -4.158 -18.886 1.00 23.00 H new ATOM 0 HZ2 LYS A 47 15.964 -4.100 -18.773 1.00 23.00 H new ATOM 0 HZ3 LYS A 47 16.813 -2.806 -19.471 1.00 23.00 H new ATOM 721 N GLU A 48 16.272 -2.207 -12.538 1.00 55.51 N ATOM 722 CA GLU A 48 16.276 -3.308 -11.582 1.00 50.32 C ATOM 723 C GLU A 48 15.299 -3.041 -10.440 1.00 44.24 C ATOM 724 O GLU A 48 14.552 -3.928 -10.028 1.00 61.34 O ATOM 725 CB GLU A 48 17.684 -3.522 -11.024 1.00 4.23 C ATOM 726 CG GLU A 48 18.352 -4.791 -11.526 1.00 40.34 C ATOM 727 CD GLU A 48 19.289 -5.402 -10.503 1.00 4.42 C ATOM 728 OE1 GLU A 48 18.807 -5.806 -9.424 1.00 74.33 O ATOM 729 OE2 GLU A 48 20.505 -5.475 -10.780 1.00 13.34 O ATOM 0 H GLU A 48 17.189 -1.794 -12.710 1.00 55.51 H new ATOM 0 HA GLU A 48 15.959 -4.211 -12.104 1.00 50.32 H new ATOM 0 HB2 GLU A 48 18.304 -2.666 -11.289 1.00 4.23 H new ATOM 0 HB3 GLU A 48 17.633 -3.554 -9.936 1.00 4.23 H new ATOM 0 HG2 GLU A 48 17.586 -5.519 -11.792 1.00 40.34 H new ATOM 0 HG3 GLU A 48 18.909 -4.568 -12.436 1.00 40.34 H new ATOM 736 N ASP A 49 15.312 -1.813 -9.934 1.00 3.13 N ATOM 737 CA ASP A 49 14.428 -1.428 -8.840 1.00 0.22 C ATOM 738 C ASP A 49 13.000 -1.894 -9.106 1.00 21.25 C ATOM 739 O ASP A 49 12.238 -2.158 -8.175 1.00 24.04 O ATOM 740 CB ASP A 49 14.454 0.089 -8.644 1.00 64.22 C ATOM 741 CG ASP A 49 15.627 0.543 -7.798 1.00 44.21 C ATOM 742 OD1 ASP A 49 16.346 -0.327 -7.264 1.00 71.54 O ATOM 743 OD2 ASP A 49 15.826 1.769 -7.669 1.00 5.53 O ATOM 0 H ASP A 49 15.925 -1.067 -10.264 1.00 3.13 H new ATOM 0 HA ASP A 49 14.785 -1.910 -7.930 1.00 0.22 H new ATOM 0 HB2 ASP A 49 14.501 0.577 -9.617 1.00 64.22 H new ATOM 0 HB3 ASP A 49 13.525 0.408 -8.172 1.00 64.22 H new ATOM 748 N CYS A 50 12.643 -1.993 -10.382 1.00 0.43 N ATOM 749 CA CYS A 50 11.306 -2.425 -10.771 1.00 64.31 C ATOM 750 C CYS A 50 10.830 -3.579 -9.892 1.00 44.54 C ATOM 751 O CYS A 50 9.806 -3.477 -9.217 1.00 72.30 O ATOM 752 CB CYS A 50 11.293 -2.850 -12.241 1.00 22.32 C ATOM 753 SG CYS A 50 9.849 -3.856 -12.711 1.00 52.31 S ATOM 0 H CYS A 50 13.261 -1.780 -11.165 1.00 0.43 H new ATOM 0 HA CYS A 50 10.625 -1.584 -10.636 1.00 64.31 H new ATOM 0 HB2 CYS A 50 11.320 -1.958 -12.866 1.00 22.32 H new ATOM 0 HB3 CYS A 50 12.201 -3.415 -12.453 1.00 22.32 H new ATOM 758 N CYS A 51 11.582 -4.675 -9.906 1.00 54.43 N ATOM 759 CA CYS A 51 11.238 -5.848 -9.112 1.00 1.31 C ATOM 760 C CYS A 51 11.178 -5.501 -7.627 1.00 50.31 C ATOM 761 O CYS A 51 10.279 -5.944 -6.911 1.00 44.45 O ATOM 762 CB CYS A 51 12.258 -6.964 -9.345 1.00 41.10 C ATOM 763 SG CYS A 51 11.766 -8.577 -8.655 1.00 42.34 S ATOM 0 H CYS A 51 12.433 -4.775 -10.459 1.00 54.43 H new ATOM 0 HA CYS A 51 10.253 -6.193 -9.427 1.00 1.31 H new ATOM 0 HB2 CYS A 51 12.422 -7.074 -10.417 1.00 41.10 H new ATOM 0 HB3 CYS A 51 13.211 -6.668 -8.906 1.00 41.10 H new ATOM 768 N ARG A 52 12.141 -4.705 -7.172 1.00 35.54 N ATOM 769 CA ARG A 52 12.198 -4.300 -5.772 1.00 51.45 C ATOM 770 C ARG A 52 10.881 -3.665 -5.336 1.00 53.10 C ATOM 771 O ARG A 52 10.412 -3.890 -4.221 1.00 23.13 O ATOM 772 CB ARG A 52 13.348 -3.316 -5.552 1.00 3.44 C ATOM 773 CG ARG A 52 14.157 -3.596 -4.295 1.00 54.33 C ATOM 774 CD ARG A 52 13.272 -3.627 -3.059 1.00 74.10 C ATOM 775 NE ARG A 52 13.928 -3.027 -1.901 1.00 12.43 N ATOM 776 CZ ARG A 52 14.122 -1.720 -1.762 1.00 3.12 C ATOM 777 NH1 ARG A 52 13.713 -0.882 -2.704 1.00 15.54 N ATOM 778 NH2 ARG A 52 14.727 -1.249 -0.679 1.00 23.54 N ATOM 0 H ARG A 52 12.891 -4.328 -7.752 1.00 35.54 H new ATOM 0 HA ARG A 52 12.369 -5.191 -5.168 1.00 51.45 H new ATOM 0 HB2 ARG A 52 14.012 -3.347 -6.416 1.00 3.44 H new ATOM 0 HB3 ARG A 52 12.944 -2.305 -5.497 1.00 3.44 H new ATOM 0 HG2 ARG A 52 14.673 -4.550 -4.398 1.00 54.33 H new ATOM 0 HG3 ARG A 52 14.923 -2.830 -4.176 1.00 54.33 H new ATOM 0 HD2 ARG A 52 12.343 -3.095 -3.265 1.00 74.10 H new ATOM 0 HD3 ARG A 52 13.005 -4.659 -2.830 1.00 74.10 H new ATOM 0 HE ARG A 52 14.255 -3.645 -1.158 1.00 12.43 H new ATOM 0 HH11 ARG A 52 13.248 -1.240 -3.538 1.00 15.54 H new ATOM 0 HH12 ARG A 52 13.863 0.121 -2.595 1.00 15.54 H new ATOM 0 HH21 ARG A 52 15.044 -1.891 0.048 1.00 23.54 H new ATOM 0 HH22 ARG A 52 14.875 -0.245 -0.573 1.00 23.54 H new ATOM 792 N GLU A 53 10.290 -2.871 -6.223 1.00 54.14 N ATOM 793 CA GLU A 53 9.027 -2.203 -5.928 1.00 63.03 C ATOM 794 C GLU A 53 7.933 -3.220 -5.617 1.00 63.33 C ATOM 795 O GLU A 53 7.077 -2.987 -4.764 1.00 54.41 O ATOM 796 CB GLU A 53 8.602 -1.324 -7.107 1.00 20.44 C ATOM 797 CG GLU A 53 8.647 0.164 -6.804 1.00 22.24 C ATOM 798 CD GLU A 53 7.428 0.902 -7.320 1.00 75.35 C ATOM 799 OE1 GLU A 53 6.309 0.363 -7.192 1.00 74.30 O ATOM 800 OE2 GLU A 53 7.593 2.019 -7.853 1.00 53.15 O ATOM 0 H GLU A 53 10.665 -2.674 -7.151 1.00 54.14 H new ATOM 0 HA GLU A 53 9.174 -1.574 -5.050 1.00 63.03 H new ATOM 0 HB2 GLU A 53 9.251 -1.533 -7.957 1.00 20.44 H new ATOM 0 HB3 GLU A 53 7.589 -1.595 -7.405 1.00 20.44 H new ATOM 0 HG2 GLU A 53 8.726 0.309 -5.727 1.00 22.24 H new ATOM 0 HG3 GLU A 53 9.543 0.595 -7.250 1.00 22.24 H new ATOM 807 N CYS A 54 7.968 -4.350 -6.316 1.00 23.12 N ATOM 808 CA CYS A 54 6.981 -5.404 -6.117 1.00 14.23 C ATOM 809 C CYS A 54 7.576 -6.565 -5.326 1.00 60.21 C ATOM 810 O CYS A 54 6.878 -7.519 -4.984 1.00 11.03 O ATOM 811 CB CYS A 54 6.459 -5.905 -7.465 1.00 44.52 C ATOM 812 SG CYS A 54 4.646 -5.855 -7.626 1.00 75.02 S ATOM 0 H CYS A 54 8.670 -4.559 -7.026 1.00 23.12 H new ATOM 0 HA CYS A 54 6.151 -4.986 -5.547 1.00 14.23 H new ATOM 0 HB2 CYS A 54 6.900 -5.303 -8.260 1.00 44.52 H new ATOM 0 HB3 CYS A 54 6.798 -6.930 -7.616 1.00 44.52 H new ATOM 817 N ALA A 55 8.871 -6.477 -5.040 1.00 12.53 N ATOM 818 CA ALA A 55 9.560 -7.518 -4.288 1.00 11.12 C ATOM 819 C ALA A 55 9.036 -7.601 -2.858 1.00 73.02 C ATOM 820 O ALA A 55 9.168 -8.632 -2.199 1.00 12.43 O ATOM 821 CB ALA A 55 11.060 -7.264 -4.288 1.00 21.00 C ATOM 0 H ALA A 55 9.464 -5.695 -5.318 1.00 12.53 H new ATOM 0 HA ALA A 55 9.364 -8.473 -4.775 1.00 11.12 H new ATOM 0 HB1 ALA A 55 11.562 -8.049 -3.723 1.00 21.00 H new ATOM 0 HB2 ALA A 55 11.429 -7.263 -5.314 1.00 21.00 H new ATOM 0 HB3 ALA A 55 11.265 -6.298 -3.828 1.00 21.00 H new ATOM 827 N GLN A 56 8.442 -6.510 -2.386 1.00 52.32 N ATOM 828 CA GLN A 56 7.899 -6.460 -1.034 1.00 24.13 C ATOM 829 C GLN A 56 6.720 -7.416 -0.885 1.00 3.03 C ATOM 830 O GLN A 56 6.383 -7.833 0.222 1.00 33.52 O ATOM 831 CB GLN A 56 7.463 -5.035 -0.688 1.00 71.34 C ATOM 832 CG GLN A 56 8.461 -3.972 -1.119 1.00 34.20 C ATOM 833 CD GLN A 56 9.859 -4.240 -0.599 1.00 43.13 C ATOM 834 OE1 GLN A 56 10.537 -5.162 -1.054 1.00 30.02 O ATOM 835 NE2 GLN A 56 10.300 -3.433 0.359 1.00 53.33 N ATOM 0 H GLN A 56 8.325 -5.649 -2.920 1.00 52.32 H new ATOM 0 HA GLN A 56 8.683 -6.769 -0.343 1.00 24.13 H new ATOM 0 HB2 GLN A 56 6.502 -4.833 -1.161 1.00 71.34 H new ATOM 0 HB3 GLN A 56 7.309 -4.962 0.389 1.00 71.34 H new ATOM 0 HG2 GLN A 56 8.486 -3.922 -2.208 1.00 34.20 H new ATOM 0 HG3 GLN A 56 8.125 -2.998 -0.763 1.00 34.20 H new ATOM 0 HE21 GLN A 56 9.705 -2.681 0.707 1.00 53.33 H new ATOM 0 HE22 GLN A 56 11.234 -3.565 0.747 1.00 53.33 H new ATOM 844 N GLY A 57 6.097 -7.759 -2.008 1.00 13.40 N ATOM 845 CA GLY A 57 4.962 -8.662 -1.980 1.00 74.43 C ATOM 846 C GLY A 57 5.148 -9.856 -2.896 1.00 41.43 C ATOM 847 O GLY A 57 5.354 -10.977 -2.432 1.00 52.11 O ATOM 0 H GLY A 57 6.358 -7.428 -2.937 1.00 13.40 H new ATOM 0 HA2 GLY A 57 4.805 -9.012 -0.960 1.00 74.43 H new ATOM 0 HA3 GLY A 57 4.063 -8.120 -2.273 1.00 74.43 H new ATOM 851 N SER A 58 5.074 -9.615 -4.201 1.00 44.15 N ATOM 852 CA SER A 58 5.231 -10.680 -5.185 1.00 41.12 C ATOM 853 C SER A 58 6.158 -10.243 -6.316 1.00 33.12 C ATOM 854 O SER A 58 6.054 -9.126 -6.823 1.00 11.32 O ATOM 855 CB SER A 58 3.869 -11.083 -5.754 1.00 10.55 C ATOM 856 OG SER A 58 3.013 -9.959 -5.871 1.00 62.21 O ATOM 0 H SER A 58 4.906 -8.692 -4.601 1.00 44.15 H new ATOM 0 HA SER A 58 5.677 -11.540 -4.685 1.00 41.12 H new ATOM 0 HB2 SER A 58 4.002 -11.546 -6.732 1.00 10.55 H new ATOM 0 HB3 SER A 58 3.408 -11.830 -5.108 1.00 10.55 H new ATOM 0 HG SER A 58 2.495 -10.027 -6.700 1.00 62.21 H new ATOM 862 N CYS A 59 7.064 -11.133 -6.706 1.00 42.45 N ATOM 863 CA CYS A 59 8.011 -10.841 -7.776 1.00 74.44 C ATOM 864 C CYS A 59 8.683 -12.119 -8.270 1.00 45.12 C ATOM 865 O CYS A 59 9.256 -12.874 -7.484 1.00 73.00 O ATOM 866 CB CYS A 59 9.069 -9.848 -7.293 1.00 23.31 C ATOM 867 SG CYS A 59 9.835 -8.870 -8.625 1.00 55.24 S ATOM 0 H CYS A 59 7.163 -12.062 -6.297 1.00 42.45 H new ATOM 0 HA CYS A 59 7.460 -10.397 -8.605 1.00 74.44 H new ATOM 0 HB2 CYS A 59 8.612 -9.168 -6.574 1.00 23.31 H new ATOM 0 HB3 CYS A 59 9.849 -10.394 -6.763 1.00 23.31 H new TER 872 CYS A 59