USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 403 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0459 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= -0.0735 (180deg=-0.436) USER MOD Single : A 17 GLN : amide:sc= -0.802 K(o=-0.8,f=-2.3) USER MOD Single : A 20 ASN : amide:sc= -0.0844 X(o=-0.084,f=-0.0099) USER MOD Single : A 21 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.023) USER MOD Single : A 23 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= -0.94 (180deg=-1.03) USER MOD Single : A 31 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.081) USER MOD Single : A 34 SER OG : rot -55:sc= 0.0538 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.18 K(o=-1.2,f=-6.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -17.047 3.842 1.057 1.00 73.52 N ATOM 2 CA ASP A 2 -17.020 4.973 1.976 1.00 0.22 C ATOM 3 C ASP A 2 -15.703 5.019 2.744 1.00 72.41 C ATOM 4 O ASP A 2 -15.676 5.339 3.933 1.00 63.13 O ATOM 5 CB ASP A 2 -18.193 4.892 2.955 1.00 64.12 C ATOM 6 CG ASP A 2 -19.520 4.686 2.251 1.00 31.22 C ATOM 7 OD1 ASP A 2 -19.868 5.516 1.385 1.00 12.32 O ATOM 8 OD2 ASP A 2 -20.211 3.695 2.567 1.00 5.15 O ATOM 0 HA ASP A 2 -17.110 5.887 1.389 1.00 0.22 H new ATOM 0 HB2 ASP A 2 -18.024 4.072 3.653 1.00 64.12 H new ATOM 0 HB3 ASP A 2 -18.235 5.808 3.544 1.00 64.12 H new ATOM 13 N CYS A 3 -14.613 4.694 2.058 1.00 42.04 N ATOM 14 CA CYS A 3 -13.291 4.695 2.674 1.00 14.32 C ATOM 15 C CYS A 3 -12.313 5.540 1.863 1.00 12.42 C ATOM 16 O CYS A 3 -12.636 6.006 0.770 1.00 43.24 O ATOM 17 CB CYS A 3 -12.763 3.265 2.801 1.00 14.15 C ATOM 18 SG CYS A 3 -14.007 2.062 3.370 1.00 70.34 S ATOM 0 H CYS A 3 -14.619 4.426 1.074 1.00 42.04 H new ATOM 0 HA CYS A 3 -13.382 5.131 3.669 1.00 14.32 H new ATOM 0 HB2 CYS A 3 -12.378 2.944 1.833 1.00 14.15 H new ATOM 0 HB3 CYS A 3 -11.923 3.259 3.496 1.00 14.15 H new ATOM 23 N LYS A 4 -11.116 5.733 2.406 1.00 44.35 N ATOM 24 CA LYS A 4 -10.089 6.519 1.733 1.00 4.43 C ATOM 25 C LYS A 4 -8.856 5.669 1.440 1.00 33.21 C ATOM 26 O LYS A 4 -8.241 5.118 2.352 1.00 24.10 O ATOM 27 CB LYS A 4 -9.696 7.725 2.591 1.00 32.14 C ATOM 28 CG LYS A 4 -8.343 8.312 2.233 1.00 70.15 C ATOM 29 CD LYS A 4 -8.286 9.802 2.526 1.00 53.43 C ATOM 30 CE LYS A 4 -6.862 10.332 2.450 1.00 20.50 C ATOM 31 NZ LYS A 4 -6.106 10.071 3.707 1.00 74.53 N ATOM 0 H LYS A 4 -10.833 5.356 3.310 1.00 44.35 H new ATOM 0 HA LYS A 4 -10.500 6.871 0.787 1.00 4.43 H new ATOM 0 HB2 LYS A 4 -10.457 8.498 2.486 1.00 32.14 H new ATOM 0 HB3 LYS A 4 -9.687 7.427 3.639 1.00 32.14 H new ATOM 0 HG2 LYS A 4 -7.563 7.800 2.796 1.00 70.15 H new ATOM 0 HG3 LYS A 4 -8.139 8.140 1.176 1.00 70.15 H new ATOM 0 HD2 LYS A 4 -8.913 10.338 1.814 1.00 53.43 H new ATOM 0 HD3 LYS A 4 -8.694 9.995 3.518 1.00 53.43 H new ATOM 0 HE2 LYS A 4 -6.345 9.865 1.611 1.00 20.50 H new ATOM 0 HE3 LYS A 4 -6.883 11.404 2.255 1.00 20.50 H new ATOM 0 HZ1 LYS A 4 -5.141 10.447 3.616 1.00 74.53 H new ATOM 0 HZ2 LYS A 4 -6.585 10.537 4.504 1.00 74.53 H new ATOM 0 HZ3 LYS A 4 -6.064 9.046 3.880 1.00 74.53 H new ATOM 45 N ARG A 5 -8.503 5.568 0.163 1.00 35.11 N ATOM 46 CA ARG A 5 -7.344 4.785 -0.249 1.00 74.04 C ATOM 47 C ARG A 5 -6.355 5.646 -1.030 1.00 35.24 C ATOM 48 O ARG A 5 -6.704 6.720 -1.522 1.00 22.34 O ATOM 49 CB ARG A 5 -7.785 3.595 -1.104 1.00 71.31 C ATOM 50 CG ARG A 5 -8.654 3.984 -2.289 1.00 23.33 C ATOM 51 CD ARG A 5 -7.811 4.428 -3.475 1.00 30.43 C ATOM 52 NE ARG A 5 -8.507 4.234 -4.744 1.00 3.30 N ATOM 53 CZ ARG A 5 -8.059 4.696 -5.905 1.00 53.42 C ATOM 54 NH1 ARG A 5 -6.922 5.376 -5.958 1.00 45.20 N ATOM 55 NH2 ARG A 5 -8.748 4.479 -7.018 1.00 14.42 N ATOM 0 H ARG A 5 -9.002 6.018 -0.604 1.00 35.11 H new ATOM 0 HA ARG A 5 -6.848 4.416 0.649 1.00 74.04 H new ATOM 0 HB2 ARG A 5 -6.900 3.073 -1.469 1.00 71.31 H new ATOM 0 HB3 ARG A 5 -8.334 2.892 -0.477 1.00 71.31 H new ATOM 0 HG2 ARG A 5 -9.276 3.137 -2.580 1.00 23.33 H new ATOM 0 HG3 ARG A 5 -9.328 4.790 -1.998 1.00 23.33 H new ATOM 0 HD2 ARG A 5 -7.551 5.480 -3.361 1.00 30.43 H new ATOM 0 HD3 ARG A 5 -6.876 3.868 -3.485 1.00 30.43 H new ATOM 0 HE ARG A 5 -9.385 3.715 -4.738 1.00 3.30 H new ATOM 0 HH11 ARG A 5 -6.389 5.545 -5.105 1.00 45.20 H new ATOM 0 HH12 ARG A 5 -6.580 5.730 -6.852 1.00 45.20 H new ATOM 0 HH21 ARG A 5 -9.623 3.957 -6.982 1.00 14.42 H new ATOM 0 HH22 ARG A 5 -8.402 4.835 -7.909 1.00 14.42 H new ATOM 69 N LYS A 6 -5.121 5.168 -1.138 1.00 51.21 N ATOM 70 CA LYS A 6 -4.080 5.893 -1.858 1.00 73.25 C ATOM 71 C LYS A 6 -2.864 5.005 -2.097 1.00 61.53 C ATOM 72 O LYS A 6 -2.537 4.150 -1.274 1.00 61.51 O ATOM 73 CB LYS A 6 -3.667 7.143 -1.078 1.00 32.30 C ATOM 74 CG LYS A 6 -2.503 7.893 -1.703 1.00 21.01 C ATOM 75 CD LYS A 6 -2.504 9.358 -1.300 1.00 24.31 C ATOM 76 CE LYS A 6 -3.629 10.123 -1.979 1.00 14.03 C ATOM 77 NZ LYS A 6 -3.330 11.577 -2.081 1.00 3.44 N ATOM 0 H LYS A 6 -4.816 4.281 -0.736 1.00 51.21 H new ATOM 0 HA LYS A 6 -4.484 6.193 -2.825 1.00 73.25 H new ATOM 0 HB2 LYS A 6 -4.523 7.814 -1.004 1.00 32.30 H new ATOM 0 HB3 LYS A 6 -3.399 6.855 -0.062 1.00 32.30 H new ATOM 0 HG2 LYS A 6 -1.565 7.431 -1.397 1.00 21.01 H new ATOM 0 HG3 LYS A 6 -2.558 7.813 -2.789 1.00 21.01 H new ATOM 0 HD2 LYS A 6 -2.609 9.439 -0.218 1.00 24.31 H new ATOM 0 HD3 LYS A 6 -1.547 9.809 -1.561 1.00 24.31 H new ATOM 0 HE2 LYS A 6 -3.794 9.716 -2.976 1.00 14.03 H new ATOM 0 HE3 LYS A 6 -4.554 9.981 -1.419 1.00 14.03 H new ATOM 0 HZ1 LYS A 6 -4.122 12.062 -2.550 1.00 3.44 H new ATOM 0 HZ2 LYS A 6 -3.197 11.972 -1.128 1.00 3.44 H new ATOM 0 HZ3 LYS A 6 -2.462 11.715 -2.637 1.00 3.44 H new ATOM 91 N VAL A 7 -2.197 5.212 -3.228 1.00 2.51 N ATOM 92 CA VAL A 7 -1.015 4.432 -3.573 1.00 0.31 C ATOM 93 C VAL A 7 0.249 5.282 -3.488 1.00 71.33 C ATOM 94 O VAL A 7 0.254 6.447 -3.886 1.00 54.13 O ATOM 95 CB VAL A 7 -1.128 3.840 -4.990 1.00 62.32 C ATOM 96 CG1 VAL A 7 -1.264 4.948 -6.023 1.00 25.33 C ATOM 97 CG2 VAL A 7 0.074 2.958 -5.296 1.00 50.22 C ATOM 0 H VAL A 7 -2.456 5.914 -3.921 1.00 2.51 H new ATOM 0 HA VAL A 7 -0.951 3.618 -2.851 1.00 0.31 H new ATOM 0 HB VAL A 7 -2.025 3.222 -5.036 1.00 62.32 H new ATOM 0 HG11 VAL A 7 -1.343 4.510 -7.018 1.00 25.33 H new ATOM 0 HG12 VAL A 7 -2.159 5.534 -5.813 1.00 25.33 H new ATOM 0 HG13 VAL A 7 -0.388 5.595 -5.980 1.00 25.33 H new ATOM 0 HG21 VAL A 7 -0.022 2.548 -6.301 1.00 50.22 H new ATOM 0 HG22 VAL A 7 0.986 3.551 -5.232 1.00 50.22 H new ATOM 0 HG23 VAL A 7 0.120 2.142 -4.574 1.00 50.22 H new ATOM 107 N TYR A 8 1.318 4.691 -2.968 1.00 21.42 N ATOM 108 CA TYR A 8 2.589 5.393 -2.830 1.00 31.25 C ATOM 109 C TYR A 8 3.526 5.057 -3.985 1.00 0.01 C ATOM 110 O TYR A 8 3.802 3.889 -4.254 1.00 63.43 O ATOM 111 CB TYR A 8 3.251 5.033 -1.498 1.00 41.03 C ATOM 112 CG TYR A 8 3.742 6.234 -0.722 1.00 40.43 C ATOM 113 CD1 TYR A 8 2.848 7.119 -0.134 1.00 11.45 C ATOM 114 CD2 TYR A 8 5.102 6.485 -0.578 1.00 75.01 C ATOM 115 CE1 TYR A 8 3.292 8.218 0.576 1.00 20.25 C ATOM 116 CE2 TYR A 8 5.555 7.580 0.130 1.00 13.13 C ATOM 117 CZ TYR A 8 4.646 8.445 0.705 1.00 61.22 C ATOM 118 OH TYR A 8 5.092 9.537 1.413 1.00 44.05 O ATOM 0 H TYR A 8 1.330 3.727 -2.635 1.00 21.42 H new ATOM 0 HA TYR A 8 2.388 6.464 -2.851 1.00 31.25 H new ATOM 0 HB2 TYR A 8 2.538 4.481 -0.885 1.00 41.03 H new ATOM 0 HB3 TYR A 8 4.091 4.365 -1.688 1.00 41.03 H new ATOM 0 HD1 TYR A 8 1.787 6.945 -0.233 1.00 11.45 H new ATOM 0 HD2 TYR A 8 5.816 5.811 -1.028 1.00 75.01 H new ATOM 0 HE1 TYR A 8 2.582 8.896 1.027 1.00 20.25 H new ATOM 0 HE2 TYR A 8 6.615 7.759 0.233 1.00 13.13 H new ATOM 0 HH TYR A 8 6.072 9.551 1.410 1.00 44.05 H new ATOM 128 N GLU A 9 4.013 6.091 -4.663 1.00 2.41 N ATOM 129 CA GLU A 9 4.920 5.906 -5.790 1.00 52.13 C ATOM 130 C GLU A 9 6.364 5.784 -5.311 1.00 74.24 C ATOM 131 O GLU A 9 7.237 5.331 -6.051 1.00 11.21 O ATOM 132 CB GLU A 9 4.794 7.073 -6.772 1.00 60.22 C ATOM 133 CG GLU A 9 5.177 8.415 -6.175 1.00 2.55 C ATOM 134 CD GLU A 9 4.478 9.577 -6.853 1.00 0.43 C ATOM 135 OE1 GLU A 9 3.230 9.567 -6.909 1.00 22.13 O ATOM 136 OE2 GLU A 9 5.177 10.496 -7.329 1.00 32.41 O ATOM 0 H GLU A 9 3.795 7.065 -4.452 1.00 2.41 H new ATOM 0 HA GLU A 9 4.644 4.982 -6.298 1.00 52.13 H new ATOM 0 HB2 GLU A 9 5.425 6.877 -7.639 1.00 60.22 H new ATOM 0 HB3 GLU A 9 3.766 7.125 -7.131 1.00 60.22 H new ATOM 0 HG2 GLU A 9 4.932 8.419 -5.113 1.00 2.55 H new ATOM 0 HG3 GLU A 9 6.256 8.549 -6.254 1.00 2.55 H new ATOM 143 N ASN A 10 6.607 6.191 -4.070 1.00 14.03 N ATOM 144 CA ASN A 10 7.944 6.128 -3.493 1.00 11.13 C ATOM 145 C ASN A 10 8.154 4.813 -2.748 1.00 5.32 C ATOM 146 O ASN A 10 9.096 4.674 -1.966 1.00 51.51 O ATOM 147 CB ASN A 10 8.168 7.307 -2.543 1.00 10.23 C ATOM 148 CG ASN A 10 8.398 8.610 -3.283 1.00 42.15 C ATOM 149 OD1 ASN A 10 7.474 9.403 -3.470 1.00 3.15 O ATOM 150 ND2 ASN A 10 9.634 8.838 -3.710 1.00 44.20 N ATOM 0 H ASN A 10 5.895 6.568 -3.444 1.00 14.03 H new ATOM 0 HA ASN A 10 8.667 6.183 -4.307 1.00 11.13 H new ATOM 0 HB2 ASN A 10 7.303 7.412 -1.888 1.00 10.23 H new ATOM 0 HB3 ASN A 10 9.027 7.098 -1.905 1.00 10.23 H new ATOM 0 HD21 ASN A 10 9.849 9.698 -4.215 1.00 44.20 H new ATOM 0 HD22 ASN A 10 10.369 8.153 -3.533 1.00 44.20 H new ATOM 157 N TYR A 11 7.272 3.852 -2.996 1.00 61.02 N ATOM 158 CA TYR A 11 7.359 2.549 -2.348 1.00 60.33 C ATOM 159 C TYR A 11 8.110 1.553 -3.227 1.00 2.21 C ATOM 160 O TYR A 11 7.881 1.453 -4.433 1.00 4.15 O ATOM 161 CB TYR A 11 5.959 2.016 -2.036 1.00 4.15 C ATOM 162 CG TYR A 11 5.960 0.811 -1.122 1.00 73.03 C ATOM 163 CD1 TYR A 11 6.375 -0.432 -1.581 1.00 21.12 C ATOM 164 CD2 TYR A 11 5.545 0.918 0.199 1.00 25.45 C ATOM 165 CE1 TYR A 11 6.377 -1.536 -0.751 1.00 33.24 C ATOM 166 CE2 TYR A 11 5.544 -0.181 1.037 1.00 4.24 C ATOM 167 CZ TYR A 11 5.961 -1.406 0.558 1.00 53.54 C ATOM 168 OH TYR A 11 5.961 -2.502 1.389 1.00 3.32 O ATOM 0 H TYR A 11 6.488 3.951 -3.641 1.00 61.02 H new ATOM 0 HA TYR A 11 7.910 2.671 -1.415 1.00 60.33 H new ATOM 0 HB2 TYR A 11 5.371 2.810 -1.576 1.00 4.15 H new ATOM 0 HB3 TYR A 11 5.463 1.753 -2.970 1.00 4.15 H new ATOM 0 HD1 TYR A 11 6.702 -0.537 -2.605 1.00 21.12 H new ATOM 0 HD2 TYR A 11 5.218 1.875 0.577 1.00 25.45 H new ATOM 0 HE1 TYR A 11 6.702 -2.496 -1.125 1.00 33.24 H new ATOM 0 HE2 TYR A 11 5.218 -0.081 2.062 1.00 4.24 H new ATOM 0 HH TYR A 11 5.641 -2.239 2.277 1.00 3.32 H new ATOM 178 N PRO A 12 9.029 0.795 -2.608 1.00 52.41 N ATOM 179 CA PRO A 12 9.832 -0.207 -3.313 1.00 34.20 C ATOM 180 C PRO A 12 9.002 -1.406 -3.759 1.00 74.23 C ATOM 181 O PRO A 12 8.369 -2.075 -2.941 1.00 41.42 O ATOM 182 CB PRO A 12 10.866 -0.632 -2.268 1.00 63.30 C ATOM 183 CG PRO A 12 10.217 -0.351 -0.957 1.00 12.02 C ATOM 184 CD PRO A 12 9.354 0.861 -1.173 1.00 74.14 C ATOM 0 HA PRO A 12 10.270 0.192 -4.228 1.00 34.20 H new ATOM 0 HB2 PRO A 12 11.118 -1.688 -2.367 1.00 63.30 H new ATOM 0 HB3 PRO A 12 11.794 -0.071 -2.379 1.00 63.30 H new ATOM 0 HG2 PRO A 12 9.620 -1.201 -0.627 1.00 12.02 H new ATOM 0 HG3 PRO A 12 10.963 -0.166 -0.184 1.00 12.02 H new ATOM 0 HD2 PRO A 12 8.456 0.831 -0.556 1.00 74.14 H new ATOM 0 HD3 PRO A 12 9.882 1.781 -0.922 1.00 74.14 H new ATOM 192 N VAL A 13 9.008 -1.674 -5.061 1.00 32.03 N ATOM 193 CA VAL A 13 8.256 -2.793 -5.615 1.00 60.23 C ATOM 194 C VAL A 13 8.824 -4.125 -5.140 1.00 20.45 C ATOM 195 O VAL A 13 8.113 -5.129 -5.077 1.00 41.43 O ATOM 196 CB VAL A 13 8.262 -2.766 -7.155 1.00 22.21 C ATOM 197 CG1 VAL A 13 7.464 -3.935 -7.714 1.00 31.13 C ATOM 198 CG2 VAL A 13 7.713 -1.442 -7.666 1.00 75.43 C ATOM 0 H VAL A 13 9.526 -1.131 -5.752 1.00 32.03 H new ATOM 0 HA VAL A 13 7.230 -2.691 -5.261 1.00 60.23 H new ATOM 0 HB VAL A 13 9.292 -2.864 -7.499 1.00 22.21 H new ATOM 0 HG11 VAL A 13 7.480 -3.899 -8.803 1.00 31.13 H new ATOM 0 HG12 VAL A 13 7.906 -4.872 -7.376 1.00 31.13 H new ATOM 0 HG13 VAL A 13 6.434 -3.873 -7.364 1.00 31.13 H new ATOM 0 HG21 VAL A 13 7.724 -1.440 -8.756 1.00 75.43 H new ATOM 0 HG22 VAL A 13 6.690 -1.312 -7.313 1.00 75.43 H new ATOM 0 HG23 VAL A 13 8.331 -0.624 -7.295 1.00 75.43 H new ATOM 208 N SER A 14 10.111 -4.128 -4.805 1.00 20.13 N ATOM 209 CA SER A 14 10.776 -5.339 -4.338 1.00 24.33 C ATOM 210 C SER A 14 10.205 -5.790 -2.997 1.00 1.21 C ATOM 211 O SER A 14 9.880 -6.962 -2.809 1.00 62.34 O ATOM 212 CB SER A 14 12.282 -5.101 -4.209 1.00 32.43 C ATOM 213 OG SER A 14 12.928 -5.229 -5.464 1.00 52.25 O ATOM 0 H SER A 14 10.713 -3.306 -4.848 1.00 20.13 H new ATOM 0 HA SER A 14 10.600 -6.126 -5.071 1.00 24.33 H new ATOM 0 HB2 SER A 14 12.463 -4.106 -3.803 1.00 32.43 H new ATOM 0 HB3 SER A 14 12.707 -5.815 -3.503 1.00 32.43 H new ATOM 0 HG SER A 14 13.889 -5.071 -5.355 1.00 52.25 H new ATOM 219 N LYS A 15 10.085 -4.850 -2.066 1.00 14.53 N ATOM 220 CA LYS A 15 9.552 -5.147 -0.741 1.00 52.14 C ATOM 221 C LYS A 15 8.035 -5.303 -0.788 1.00 51.22 C ATOM 222 O LYS A 15 7.432 -5.883 0.115 1.00 25.20 O ATOM 223 CB LYS A 15 9.931 -4.041 0.244 1.00 4.32 C ATOM 224 CG LYS A 15 11.392 -3.632 0.167 1.00 42.55 C ATOM 225 CD LYS A 15 12.316 -4.819 0.382 1.00 34.33 C ATOM 226 CE LYS A 15 12.195 -5.369 1.796 1.00 70.33 C ATOM 227 NZ LYS A 15 12.447 -4.320 2.823 1.00 72.13 N ATOM 0 H LYS A 15 10.350 -3.875 -2.204 1.00 14.53 H new ATOM 0 HA LYS A 15 9.987 -6.088 -0.405 1.00 52.14 H new ATOM 0 HB2 LYS A 15 9.307 -3.167 0.054 1.00 4.32 H new ATOM 0 HB3 LYS A 15 9.709 -4.377 1.257 1.00 4.32 H new ATOM 0 HG2 LYS A 15 11.594 -3.184 -0.806 1.00 42.55 H new ATOM 0 HG3 LYS A 15 11.597 -2.869 0.918 1.00 42.55 H new ATOM 0 HD2 LYS A 15 12.077 -5.603 -0.336 1.00 34.33 H new ATOM 0 HD3 LYS A 15 13.347 -4.518 0.194 1.00 34.33 H new ATOM 0 HE2 LYS A 15 11.198 -5.786 1.939 1.00 70.33 H new ATOM 0 HE3 LYS A 15 12.904 -6.186 1.930 1.00 70.33 H new ATOM 0 HZ1 LYS A 15 12.624 -4.771 3.743 1.00 72.13 H new ATOM 0 HZ2 LYS A 15 13.277 -3.757 2.548 1.00 72.13 H new ATOM 0 HZ3 LYS A 15 11.616 -3.699 2.896 1.00 72.13 H new ATOM 241 N CYS A 16 7.423 -4.782 -1.847 1.00 23.14 N ATOM 242 CA CYS A 16 5.978 -4.863 -2.012 1.00 31.32 C ATOM 243 C CYS A 16 5.503 -6.312 -1.948 1.00 64.22 C ATOM 244 O CYS A 16 4.395 -6.594 -1.494 1.00 11.32 O ATOM 245 CB CYS A 16 5.559 -4.237 -3.343 1.00 50.54 C ATOM 246 SG CYS A 16 4.392 -2.847 -3.176 1.00 72.12 S ATOM 0 H CYS A 16 7.907 -4.299 -2.604 1.00 23.14 H new ATOM 0 HA CYS A 16 5.514 -4.310 -1.196 1.00 31.32 H new ATOM 0 HB2 CYS A 16 6.450 -3.889 -3.865 1.00 50.54 H new ATOM 0 HB3 CYS A 16 5.104 -5.006 -3.967 1.00 50.54 H new ATOM 251 N GLN A 17 6.351 -7.228 -2.407 1.00 43.54 N ATOM 252 CA GLN A 17 6.019 -8.647 -2.403 1.00 54.34 C ATOM 253 C GLN A 17 5.606 -9.105 -1.008 1.00 41.45 C ATOM 254 O GLN A 17 4.836 -10.055 -0.858 1.00 54.31 O ATOM 255 CB GLN A 17 7.209 -9.473 -2.892 1.00 45.22 C ATOM 256 CG GLN A 17 8.401 -9.440 -1.948 1.00 63.44 C ATOM 257 CD GLN A 17 9.704 -9.785 -2.641 1.00 23.11 C ATOM 258 OE1 GLN A 17 9.722 -10.110 -3.829 1.00 43.21 O ATOM 259 NE2 GLN A 17 10.805 -9.716 -1.902 1.00 33.24 N ATOM 0 H GLN A 17 7.273 -7.012 -2.786 1.00 43.54 H new ATOM 0 HA GLN A 17 5.178 -8.799 -3.080 1.00 54.34 H new ATOM 0 HB2 GLN A 17 6.892 -10.507 -3.028 1.00 45.22 H new ATOM 0 HB3 GLN A 17 7.520 -9.104 -3.869 1.00 45.22 H new ATOM 0 HG2 GLN A 17 8.481 -8.447 -1.505 1.00 63.44 H new ATOM 0 HG3 GLN A 17 8.232 -10.141 -1.131 1.00 63.44 H new ATOM 0 HE21 GLN A 17 10.745 -9.442 -0.921 1.00 33.24 H new ATOM 0 HE22 GLN A 17 11.711 -9.937 -2.315 1.00 33.24 H new ATOM 268 N LEU A 18 6.121 -8.425 0.009 1.00 45.43 N ATOM 269 CA LEU A 18 5.807 -8.762 1.393 1.00 0.32 C ATOM 270 C LEU A 18 4.479 -8.143 1.816 1.00 50.41 C ATOM 271 O LEU A 18 4.279 -6.934 1.692 1.00 74.33 O ATOM 272 CB LEU A 18 6.924 -8.285 2.322 1.00 4.31 C ATOM 273 CG LEU A 18 8.234 -9.072 2.257 1.00 0.54 C ATOM 274 CD1 LEU A 18 9.378 -8.253 2.835 1.00 13.51 C ATOM 275 CD2 LEU A 18 8.097 -10.396 2.995 1.00 73.14 C ATOM 0 H LEU A 18 6.759 -7.636 -0.098 1.00 45.43 H new ATOM 0 HA LEU A 18 5.721 -9.846 1.466 1.00 0.32 H new ATOM 0 HB2 LEU A 18 7.139 -7.241 2.093 1.00 4.31 H new ATOM 0 HB3 LEU A 18 6.555 -8.317 3.347 1.00 4.31 H new ATOM 0 HG LEU A 18 8.458 -9.283 1.211 1.00 0.54 H new ATOM 0 HD11 LEU A 18 10.302 -8.829 2.780 1.00 13.51 H new ATOM 0 HD12 LEU A 18 9.491 -7.331 2.264 1.00 13.51 H new ATOM 0 HD13 LEU A 18 9.163 -8.011 3.876 1.00 13.51 H new ATOM 0 HD21 LEU A 18 9.038 -10.943 2.939 1.00 73.14 H new ATOM 0 HD22 LEU A 18 7.849 -10.206 4.039 1.00 73.14 H new ATOM 0 HD23 LEU A 18 7.305 -10.988 2.536 1.00 73.14 H new ATOM 287 N ALA A 19 3.575 -8.977 2.317 1.00 73.41 N ATOM 288 CA ALA A 19 2.268 -8.512 2.762 1.00 13.32 C ATOM 289 C ALA A 19 2.377 -7.743 4.075 1.00 21.15 C ATOM 290 O ALA A 19 1.880 -6.623 4.193 1.00 71.25 O ATOM 291 CB ALA A 19 1.312 -9.685 2.913 1.00 20.32 C ATOM 0 H ALA A 19 3.724 -9.980 2.425 1.00 73.41 H new ATOM 0 HA ALA A 19 1.875 -7.834 2.005 1.00 13.32 H new ATOM 0 HB1 ALA A 19 0.340 -9.322 3.246 1.00 20.32 H new ATOM 0 HB2 ALA A 19 1.201 -10.190 1.953 1.00 20.32 H new ATOM 0 HB3 ALA A 19 1.709 -10.385 3.648 1.00 20.32 H new ATOM 297 N ASN A 20 3.029 -8.352 5.059 1.00 24.21 N ATOM 298 CA ASN A 20 3.202 -7.726 6.365 1.00 50.53 C ATOM 299 C ASN A 20 4.022 -6.444 6.248 1.00 30.24 C ATOM 300 O ASN A 20 4.019 -5.611 7.155 1.00 65.13 O ATOM 301 CB ASN A 20 3.883 -8.694 7.333 1.00 64.43 C ATOM 302 CG ASN A 20 2.915 -9.702 7.921 1.00 14.12 C ATOM 303 OD1 ASN A 20 3.103 -10.911 7.791 1.00 53.21 O ATOM 304 ND2 ASN A 20 1.870 -9.205 8.574 1.00 34.34 N ATOM 0 H ASN A 20 3.447 -9.279 4.977 1.00 24.21 H new ATOM 0 HA ASN A 20 2.215 -7.472 6.752 1.00 50.53 H new ATOM 0 HB2 ASN A 20 4.681 -9.223 6.812 1.00 64.43 H new ATOM 0 HB3 ASN A 20 4.349 -8.128 8.140 1.00 64.43 H new ATOM 0 HD21 ASN A 20 1.184 -9.833 8.992 1.00 34.34 H new ATOM 0 HD22 ASN A 20 1.754 -8.195 8.657 1.00 34.34 H new ATOM 311 N GLN A 21 4.720 -6.295 5.128 1.00 42.10 N ATOM 312 CA GLN A 21 5.545 -5.116 4.894 1.00 11.20 C ATOM 313 C GLN A 21 4.692 -3.938 4.433 1.00 43.12 C ATOM 314 O GLN A 21 4.880 -2.807 4.883 1.00 65.32 O ATOM 315 CB GLN A 21 6.623 -5.419 3.852 1.00 71.14 C ATOM 316 CG GLN A 21 7.618 -4.286 3.657 1.00 35.23 C ATOM 317 CD GLN A 21 8.514 -4.083 4.863 1.00 73.33 C ATOM 318 OE1 GLN A 21 8.574 -2.991 5.430 1.00 72.23 O ATOM 319 NE2 GLN A 21 9.218 -5.136 5.262 1.00 53.15 N ATOM 0 H GLN A 21 4.731 -6.975 4.368 1.00 42.10 H new ATOM 0 HA GLN A 21 6.025 -4.848 5.835 1.00 11.20 H new ATOM 0 HB2 GLN A 21 7.163 -6.318 4.151 1.00 71.14 H new ATOM 0 HB3 GLN A 21 6.143 -5.638 2.898 1.00 71.14 H new ATOM 0 HG2 GLN A 21 8.234 -4.495 2.782 1.00 35.23 H new ATOM 0 HG3 GLN A 21 7.076 -3.363 3.452 1.00 35.23 H new ATOM 0 HE21 GLN A 21 9.138 -6.022 4.763 1.00 53.15 H new ATOM 0 HE22 GLN A 21 9.839 -5.059 6.068 1.00 53.15 H new ATOM 328 N CYS A 22 3.754 -4.211 3.531 1.00 3.54 N ATOM 329 CA CYS A 22 2.872 -3.175 3.007 1.00 2.22 C ATOM 330 C CYS A 22 1.984 -2.608 4.111 1.00 42.30 C ATOM 331 O CYS A 22 2.066 -1.425 4.441 1.00 51.00 O ATOM 332 CB CYS A 22 2.007 -3.736 1.878 1.00 72.11 C ATOM 333 SG CYS A 22 2.311 -2.968 0.254 1.00 0.34 S ATOM 0 H CYS A 22 3.586 -5.141 3.148 1.00 3.54 H new ATOM 0 HA CYS A 22 3.492 -2.369 2.614 1.00 2.22 H new ATOM 0 HB2 CYS A 22 2.183 -4.809 1.799 1.00 72.11 H new ATOM 0 HB3 CYS A 22 0.957 -3.604 2.139 1.00 72.11 H new ATOM 338 N ASN A 23 1.137 -3.460 4.677 1.00 33.11 N ATOM 339 CA ASN A 23 0.232 -3.044 5.743 1.00 62.42 C ATOM 340 C ASN A 23 0.997 -2.341 6.861 1.00 34.31 C ATOM 341 O ASN A 23 0.460 -1.460 7.535 1.00 61.32 O ATOM 342 CB ASN A 23 -0.518 -4.254 6.305 1.00 2.13 C ATOM 343 CG ASN A 23 0.252 -4.946 7.414 1.00 33.32 C ATOM 344 OD1 ASN A 23 1.400 -5.348 7.231 1.00 4.12 O ATOM 345 ND2 ASN A 23 -0.382 -5.088 8.573 1.00 25.15 N ATOM 0 H ASN A 23 1.058 -4.443 4.416 1.00 33.11 H new ATOM 0 HA ASN A 23 -0.488 -2.342 5.322 1.00 62.42 H new ATOM 0 HB2 ASN A 23 -1.488 -3.933 6.685 1.00 2.13 H new ATOM 0 HB3 ASN A 23 -0.710 -4.965 5.501 1.00 2.13 H new ATOM 0 HD21 ASN A 23 0.084 -5.546 9.356 1.00 25.15 H new ATOM 0 HD22 ASN A 23 -1.334 -4.739 8.679 1.00 25.15 H new ATOM 352 N TYR A 24 2.250 -2.735 7.052 1.00 52.20 N ATOM 353 CA TYR A 24 3.088 -2.144 8.089 1.00 61.22 C ATOM 354 C TYR A 24 3.453 -0.705 7.740 1.00 64.25 C ATOM 355 O TYR A 24 3.305 0.201 8.559 1.00 11.32 O ATOM 356 CB TYR A 24 4.359 -2.973 8.281 1.00 21.21 C ATOM 357 CG TYR A 24 5.379 -2.318 9.184 1.00 14.43 C ATOM 358 CD1 TYR A 24 5.154 -2.205 10.552 1.00 54.15 C ATOM 359 CD2 TYR A 24 6.567 -1.812 8.672 1.00 33.22 C ATOM 360 CE1 TYR A 24 6.082 -1.606 11.381 1.00 21.32 C ATOM 361 CE2 TYR A 24 7.501 -1.212 9.494 1.00 25.44 C ATOM 362 CZ TYR A 24 7.254 -1.112 10.848 1.00 23.31 C ATOM 363 OH TYR A 24 8.182 -0.517 11.671 1.00 43.45 O ATOM 0 H TYR A 24 2.709 -3.462 6.502 1.00 52.20 H new ATOM 0 HA TYR A 24 2.521 -2.140 9.020 1.00 61.22 H new ATOM 0 HB2 TYR A 24 4.090 -3.944 8.696 1.00 21.21 H new ATOM 0 HB3 TYR A 24 4.813 -3.157 7.307 1.00 21.21 H new ATOM 0 HD1 TYR A 24 4.238 -2.592 10.973 1.00 54.15 H new ATOM 0 HD2 TYR A 24 6.764 -1.889 7.613 1.00 33.22 H new ATOM 0 HE1 TYR A 24 5.891 -1.525 12.441 1.00 21.32 H new ATOM 0 HE2 TYR A 24 8.419 -0.823 9.079 1.00 25.44 H new ATOM 0 HH TYR A 24 8.951 -0.224 11.139 1.00 43.45 H new ATOM 373 N ASP A 25 3.931 -0.504 6.516 1.00 3.15 N ATOM 374 CA ASP A 25 4.317 0.825 6.055 1.00 63.21 C ATOM 375 C ASP A 25 3.091 1.712 5.866 1.00 75.31 C ATOM 376 O ASP A 25 3.171 2.935 5.985 1.00 3.21 O ATOM 377 CB ASP A 25 5.098 0.727 4.743 1.00 32.33 C ATOM 378 CG ASP A 25 5.617 2.072 4.276 1.00 24.33 C ATOM 379 OD1 ASP A 25 4.790 2.936 3.919 1.00 11.02 O ATOM 380 OD2 ASP A 25 6.852 2.261 4.270 1.00 54.04 O ATOM 0 H ASP A 25 4.060 -1.244 5.826 1.00 3.15 H new ATOM 0 HA ASP A 25 4.955 1.275 6.816 1.00 63.21 H new ATOM 0 HB2 ASP A 25 5.936 0.043 4.873 1.00 32.33 H new ATOM 0 HB3 ASP A 25 4.456 0.301 3.972 1.00 32.33 H new ATOM 385 N CYS A 26 1.956 1.088 5.569 1.00 15.23 N ATOM 386 CA CYS A 26 0.711 1.820 5.362 1.00 24.30 C ATOM 387 C CYS A 26 0.083 2.212 6.696 1.00 74.12 C ATOM 388 O CYS A 26 -0.251 3.376 6.919 1.00 35.14 O ATOM 389 CB CYS A 26 -0.272 0.975 4.550 1.00 65.33 C ATOM 390 SG CYS A 26 0.137 0.854 2.779 1.00 4.25 S ATOM 0 H CYS A 26 1.872 0.077 5.466 1.00 15.23 H new ATOM 0 HA CYS A 26 0.940 2.730 4.808 1.00 24.30 H new ATOM 0 HB2 CYS A 26 -0.307 -0.029 4.973 1.00 65.33 H new ATOM 0 HB3 CYS A 26 -1.271 1.399 4.653 1.00 65.33 H new ATOM 395 N LYS A 27 -0.077 1.233 7.579 1.00 23.32 N ATOM 396 CA LYS A 27 -0.664 1.473 8.892 1.00 23.03 C ATOM 397 C LYS A 27 0.279 2.292 9.768 1.00 30.42 C ATOM 398 O LYS A 27 -0.106 2.767 10.838 1.00 51.04 O ATOM 399 CB LYS A 27 -0.991 0.145 9.579 1.00 42.25 C ATOM 400 CG LYS A 27 -2.119 -0.622 8.912 1.00 72.42 C ATOM 401 CD LYS A 27 -3.026 -1.284 9.937 1.00 1.23 C ATOM 402 CE LYS A 27 -2.255 -2.257 10.817 1.00 62.00 C ATOM 403 NZ LYS A 27 -3.100 -3.406 11.243 1.00 4.03 N ATOM 0 H LYS A 27 0.192 0.264 7.409 1.00 23.32 H new ATOM 0 HA LYS A 27 -1.585 2.039 8.752 1.00 23.03 H new ATOM 0 HB2 LYS A 27 -0.097 -0.478 9.592 1.00 42.25 H new ATOM 0 HB3 LYS A 27 -1.259 0.339 10.618 1.00 42.25 H new ATOM 0 HG2 LYS A 27 -2.704 0.056 8.291 1.00 72.42 H new ATOM 0 HG3 LYS A 27 -1.702 -1.381 8.250 1.00 72.42 H new ATOM 0 HD2 LYS A 27 -3.492 -0.520 10.559 1.00 1.23 H new ATOM 0 HD3 LYS A 27 -3.830 -1.813 9.425 1.00 1.23 H new ATOM 0 HE2 LYS A 27 -1.385 -2.627 10.274 1.00 62.00 H new ATOM 0 HE3 LYS A 27 -1.882 -1.734 11.698 1.00 62.00 H new ATOM 0 HZ1 LYS A 27 -2.539 -4.046 11.841 1.00 4.03 H new ATOM 0 HZ2 LYS A 27 -3.917 -3.055 11.783 1.00 4.03 H new ATOM 0 HZ3 LYS A 27 -3.435 -3.921 10.404 1.00 4.03 H new ATOM 417 N LEU A 28 1.514 2.454 9.309 1.00 44.52 N ATOM 418 CA LEU A 28 2.513 3.218 10.050 1.00 75.44 C ATOM 419 C LEU A 28 2.309 4.716 9.852 1.00 4.44 C ATOM 420 O LEU A 28 2.042 5.448 10.805 1.00 34.43 O ATOM 421 CB LEU A 28 3.922 2.819 9.606 1.00 14.11 C ATOM 422 CG LEU A 28 5.057 3.725 10.084 1.00 34.44 C ATOM 423 CD1 LEU A 28 5.200 3.646 11.596 1.00 5.15 C ATOM 424 CD2 LEU A 28 6.364 3.347 9.403 1.00 73.42 C ATOM 0 H LEU A 28 1.849 2.067 8.427 1.00 44.52 H new ATOM 0 HA LEU A 28 2.396 2.991 11.110 1.00 75.44 H new ATOM 0 HB2 LEU A 28 4.119 1.806 9.958 1.00 14.11 H new ATOM 0 HB3 LEU A 28 3.943 2.788 8.517 1.00 14.11 H new ATOM 0 HG LEU A 28 4.814 4.753 9.815 1.00 34.44 H new ATOM 0 HD11 LEU A 28 6.012 4.297 11.919 1.00 5.15 H new ATOM 0 HD12 LEU A 28 4.270 3.965 12.067 1.00 5.15 H new ATOM 0 HD13 LEU A 28 5.420 2.619 11.887 1.00 5.15 H new ATOM 0 HD21 LEU A 28 7.161 4.002 9.755 1.00 73.42 H new ATOM 0 HD22 LEU A 28 6.613 2.313 9.641 1.00 73.42 H new ATOM 0 HD23 LEU A 28 6.256 3.455 8.324 1.00 73.42 H new ATOM 436 N ASP A 29 2.437 5.166 8.609 1.00 74.34 N ATOM 437 CA ASP A 29 2.263 6.577 8.285 1.00 50.43 C ATOM 438 C ASP A 29 0.834 6.860 7.834 1.00 60.23 C ATOM 439 O ASP A 29 0.175 7.762 8.351 1.00 53.23 O ATOM 440 CB ASP A 29 3.248 6.997 7.192 1.00 31.54 C ATOM 441 CG ASP A 29 4.569 7.480 7.758 1.00 43.21 C ATOM 442 OD1 ASP A 29 4.880 7.134 8.917 1.00 23.12 O ATOM 443 OD2 ASP A 29 5.291 8.205 7.041 1.00 23.33 O ATOM 0 H ASP A 29 2.661 4.574 7.809 1.00 74.34 H new ATOM 0 HA ASP A 29 2.462 7.157 9.186 1.00 50.43 H new ATOM 0 HB2 ASP A 29 3.428 6.153 6.526 1.00 31.54 H new ATOM 0 HB3 ASP A 29 2.802 7.789 6.590 1.00 31.54 H new ATOM 448 N LYS A 30 0.360 6.083 6.865 1.00 35.01 N ATOM 449 CA LYS A 30 -0.992 6.249 6.343 1.00 4.15 C ATOM 450 C LYS A 30 -2.028 5.789 7.363 1.00 53.13 C ATOM 451 O LYS A 30 -3.227 6.015 7.190 1.00 42.11 O ATOM 452 CB LYS A 30 -1.158 5.462 5.042 1.00 64.15 C ATOM 453 CG LYS A 30 -0.909 6.292 3.794 1.00 1.01 C ATOM 454 CD LYS A 30 -2.103 7.172 3.463 1.00 52.22 C ATOM 455 CE LYS A 30 -3.039 6.495 2.474 1.00 31.45 C ATOM 456 NZ LYS A 30 -4.084 5.689 3.163 1.00 14.02 N ATOM 0 H LYS A 30 0.892 5.332 6.425 1.00 35.01 H new ATOM 0 HA LYS A 30 -1.150 7.309 6.142 1.00 4.15 H new ATOM 0 HB2 LYS A 30 -0.471 4.616 5.049 1.00 64.15 H new ATOM 0 HB3 LYS A 30 -2.167 5.053 5.001 1.00 64.15 H new ATOM 0 HG2 LYS A 30 -0.026 6.915 3.940 1.00 1.01 H new ATOM 0 HG3 LYS A 30 -0.698 5.632 2.953 1.00 1.01 H new ATOM 0 HD2 LYS A 30 -2.647 7.407 4.378 1.00 52.22 H new ATOM 0 HD3 LYS A 30 -1.755 8.117 3.047 1.00 52.22 H new ATOM 0 HE2 LYS A 30 -3.516 7.251 1.850 1.00 31.45 H new ATOM 0 HE3 LYS A 30 -2.462 5.851 1.810 1.00 31.45 H new ATOM 0 HZ1 LYS A 30 -4.790 5.369 2.469 1.00 14.02 H new ATOM 0 HZ2 LYS A 30 -3.643 4.862 3.615 1.00 14.02 H new ATOM 0 HZ3 LYS A 30 -4.550 6.272 3.887 1.00 14.02 H new ATOM 470 N HIS A 31 -1.560 5.143 8.426 1.00 11.22 N ATOM 471 CA HIS A 31 -2.448 4.653 9.475 1.00 23.01 C ATOM 472 C HIS A 31 -3.602 3.853 8.880 1.00 14.44 C ATOM 473 O HIS A 31 -4.695 3.807 9.446 1.00 62.34 O ATOM 474 CB HIS A 31 -2.992 5.821 10.299 1.00 73.34 C ATOM 475 CG HIS A 31 -1.932 6.577 11.039 1.00 14.14 C ATOM 476 ND1 HIS A 31 -0.879 5.962 11.682 1.00 64.13 N ATOM 477 CD2 HIS A 31 -1.767 7.906 11.236 1.00 53.14 C ATOM 478 CE1 HIS A 31 -0.112 6.880 12.243 1.00 74.03 C ATOM 479 NE2 HIS A 31 -0.629 8.068 11.986 1.00 2.42 N ATOM 0 H HIS A 31 -0.572 4.947 8.584 1.00 11.22 H new ATOM 0 HA HIS A 31 -1.872 3.996 10.127 1.00 23.01 H new ATOM 0 HB2 HIS A 31 -3.521 6.507 9.637 1.00 73.34 H new ATOM 0 HB3 HIS A 31 -3.722 5.442 11.014 1.00 73.34 H new ATOM 0 HD2 HIS A 31 -2.411 8.692 10.871 1.00 53.14 H new ATOM 0 HE1 HIS A 31 0.785 6.691 12.814 1.00 74.03 H new ATOM 0 HE2 HIS A 31 -0.245 8.961 12.295 1.00 2.42 H new ATOM 487 N ALA A 32 -3.353 3.226 7.735 1.00 20.44 N ATOM 488 CA ALA A 32 -4.371 2.427 7.065 1.00 75.40 C ATOM 489 C ALA A 32 -4.830 1.270 7.946 1.00 71.33 C ATOM 490 O ALA A 32 -4.575 1.254 9.150 1.00 43.34 O ATOM 491 CB ALA A 32 -3.842 1.905 5.737 1.00 74.31 C ATOM 0 H ALA A 32 -2.455 3.256 7.252 1.00 20.44 H new ATOM 0 HA ALA A 32 -5.233 3.067 6.874 1.00 75.40 H new ATOM 0 HB1 ALA A 32 -4.613 1.310 5.247 1.00 74.31 H new ATOM 0 HB2 ALA A 32 -3.571 2.745 5.098 1.00 74.31 H new ATOM 0 HB3 ALA A 32 -2.963 1.286 5.914 1.00 74.31 H new ATOM 497 N ARG A 33 -5.509 0.302 7.337 1.00 21.44 N ATOM 498 CA ARG A 33 -6.004 -0.859 8.068 1.00 54.34 C ATOM 499 C ARG A 33 -5.678 -2.149 7.322 1.00 33.01 C ATOM 500 O ARG A 33 -5.315 -3.155 7.932 1.00 53.14 O ATOM 501 CB ARG A 33 -7.515 -0.747 8.280 1.00 2.42 C ATOM 502 CG ARG A 33 -8.036 -1.615 9.414 1.00 13.41 C ATOM 503 CD ARG A 33 -9.467 -2.062 9.161 1.00 2.00 C ATOM 504 NE ARG A 33 -9.525 -3.378 8.532 1.00 65.55 N ATOM 505 CZ ARG A 33 -10.654 -3.954 8.135 1.00 75.52 C ATOM 506 NH1 ARG A 33 -11.814 -3.333 8.301 1.00 25.35 N ATOM 507 NH2 ARG A 33 -10.625 -5.155 7.569 1.00 34.35 N ATOM 0 H ARG A 33 -5.728 0.299 6.341 1.00 21.44 H new ATOM 0 HA ARG A 33 -5.509 -0.886 9.039 1.00 54.34 H new ATOM 0 HB2 ARG A 33 -7.769 0.293 8.484 1.00 2.42 H new ATOM 0 HB3 ARG A 33 -8.025 -1.025 7.357 1.00 2.42 H new ATOM 0 HG2 ARG A 33 -7.395 -2.489 9.528 1.00 13.41 H new ATOM 0 HG3 ARG A 33 -7.987 -1.060 10.351 1.00 13.41 H new ATOM 0 HD2 ARG A 33 -10.011 -2.087 10.105 1.00 2.00 H new ATOM 0 HD3 ARG A 33 -9.967 -1.333 8.524 1.00 2.00 H new ATOM 0 HE ARG A 33 -8.650 -3.883 8.390 1.00 65.55 H new ATOM 0 HH11 ARG A 33 -11.841 -2.410 8.735 1.00 25.35 H new ATOM 0 HH12 ARG A 33 -12.679 -3.778 7.995 1.00 25.35 H new ATOM 0 HH21 ARG A 33 -9.735 -5.636 7.439 1.00 34.35 H new ATOM 0 HH22 ARG A 33 -11.493 -5.596 7.265 1.00 34.35 H new ATOM 521 N SER A 34 -5.812 -2.113 6.000 1.00 55.12 N ATOM 522 CA SER A 34 -5.537 -3.281 5.171 1.00 24.04 C ATOM 523 C SER A 34 -4.547 -2.939 4.062 1.00 41.34 C ATOM 524 O SER A 34 -4.675 -3.410 2.933 1.00 52.31 O ATOM 525 CB SER A 34 -6.833 -3.820 4.564 1.00 11.24 C ATOM 526 OG SER A 34 -6.677 -5.162 4.136 1.00 41.31 O ATOM 0 H SER A 34 -6.109 -1.288 5.480 1.00 55.12 H new ATOM 0 HA SER A 34 -5.095 -4.049 5.805 1.00 24.04 H new ATOM 0 HB2 SER A 34 -7.635 -3.761 5.300 1.00 11.24 H new ATOM 0 HB3 SER A 34 -7.129 -3.198 3.719 1.00 11.24 H new ATOM 0 HG SER A 34 -5.920 -5.222 3.516 1.00 41.31 H new ATOM 532 N GLY A 35 -3.557 -2.114 4.394 1.00 74.41 N ATOM 533 CA GLY A 35 -2.559 -1.722 3.416 1.00 72.40 C ATOM 534 C GLY A 35 -1.919 -2.913 2.730 1.00 13.13 C ATOM 535 O GLY A 35 -1.368 -3.793 3.389 1.00 21.51 O ATOM 0 H GLY A 35 -3.429 -1.711 5.322 1.00 74.41 H new ATOM 0 HA2 GLY A 35 -3.022 -1.081 2.666 1.00 72.40 H new ATOM 0 HA3 GLY A 35 -1.786 -1.131 3.907 1.00 72.40 H new ATOM 539 N GLU A 36 -1.995 -2.941 1.403 1.00 22.54 N ATOM 540 CA GLU A 36 -1.421 -4.035 0.629 1.00 43.42 C ATOM 541 C GLU A 36 -0.927 -3.541 -0.728 1.00 75.43 C ATOM 542 O GLU A 36 -1.207 -2.411 -1.129 1.00 5.51 O ATOM 543 CB GLU A 36 -2.452 -5.148 0.435 1.00 62.31 C ATOM 544 CG GLU A 36 -1.934 -6.529 0.805 1.00 13.23 C ATOM 545 CD GLU A 36 -1.722 -6.691 2.298 1.00 3.04 C ATOM 546 OE1 GLU A 36 -2.703 -6.543 3.057 1.00 4.55 O ATOM 547 OE2 GLU A 36 -0.575 -6.967 2.707 1.00 40.31 O ATOM 0 H GLU A 36 -2.448 -2.219 0.842 1.00 22.54 H new ATOM 0 HA GLU A 36 -0.570 -4.431 1.184 1.00 43.42 H new ATOM 0 HB2 GLU A 36 -3.332 -4.926 1.038 1.00 62.31 H new ATOM 0 HB3 GLU A 36 -2.773 -5.157 -0.607 1.00 62.31 H new ATOM 0 HG2 GLU A 36 -2.640 -7.283 0.458 1.00 13.23 H new ATOM 0 HG3 GLU A 36 -0.993 -6.711 0.286 1.00 13.23 H new ATOM 554 N CYS A 37 -0.193 -4.396 -1.431 1.00 73.43 N ATOM 555 CA CYS A 37 0.340 -4.049 -2.743 1.00 55.13 C ATOM 556 C CYS A 37 -0.466 -4.719 -3.852 1.00 50.34 C ATOM 557 O CYS A 37 -0.956 -5.837 -3.692 1.00 14.45 O ATOM 558 CB CYS A 37 1.809 -4.461 -2.845 1.00 21.12 C ATOM 559 SG CYS A 37 2.930 -3.488 -1.789 1.00 53.12 S ATOM 0 H CYS A 37 0.047 -5.335 -1.114 1.00 73.43 H new ATOM 0 HA CYS A 37 0.264 -2.968 -2.864 1.00 55.13 H new ATOM 0 HB2 CYS A 37 1.899 -5.514 -2.579 1.00 21.12 H new ATOM 0 HB3 CYS A 37 2.131 -4.366 -3.882 1.00 21.12 H new ATOM 564 N PHE A 38 -0.599 -4.027 -4.980 1.00 12.40 N ATOM 565 CA PHE A 38 -1.345 -4.553 -6.117 1.00 21.14 C ATOM 566 C PHE A 38 -1.099 -3.712 -7.366 1.00 23.14 C ATOM 567 O PHE A 38 -0.434 -2.678 -7.310 1.00 14.45 O ATOM 568 CB PHE A 38 -2.842 -4.589 -5.799 1.00 0.44 C ATOM 569 CG PHE A 38 -3.354 -5.964 -5.478 1.00 54.24 C ATOM 570 CD1 PHE A 38 -3.199 -7.003 -6.381 1.00 4.41 C ATOM 571 CD2 PHE A 38 -3.992 -6.216 -4.274 1.00 72.04 C ATOM 572 CE1 PHE A 38 -3.669 -8.270 -6.090 1.00 35.10 C ATOM 573 CE2 PHE A 38 -4.464 -7.481 -3.978 1.00 25.32 C ATOM 574 CZ PHE A 38 -4.304 -8.508 -4.887 1.00 24.34 C ATOM 0 H PHE A 38 -0.199 -3.101 -5.130 1.00 12.40 H new ATOM 0 HA PHE A 38 -0.997 -5.568 -6.310 1.00 21.14 H new ATOM 0 HB2 PHE A 38 -3.042 -3.929 -4.955 1.00 0.44 H new ATOM 0 HB3 PHE A 38 -3.396 -4.193 -6.650 1.00 0.44 H new ATOM 0 HD1 PHE A 38 -2.705 -6.821 -7.324 1.00 4.41 H new ATOM 0 HD2 PHE A 38 -4.122 -5.416 -3.560 1.00 72.04 H new ATOM 0 HE1 PHE A 38 -3.540 -9.072 -6.802 1.00 35.10 H new ATOM 0 HE2 PHE A 38 -4.958 -7.666 -3.036 1.00 25.32 H new ATOM 0 HZ PHE A 38 -4.675 -9.496 -4.657 1.00 24.34 H new ATOM 584 N TYR A 39 -1.638 -4.165 -8.492 1.00 11.03 N ATOM 585 CA TYR A 39 -1.475 -3.457 -9.756 1.00 61.14 C ATOM 586 C TYR A 39 -2.292 -2.169 -9.769 1.00 14.24 C ATOM 587 O TYR A 39 -3.401 -2.119 -9.236 1.00 33.04 O ATOM 588 CB TYR A 39 -1.894 -4.352 -10.923 1.00 70.45 C ATOM 589 CG TYR A 39 -1.060 -5.607 -11.055 1.00 13.22 C ATOM 590 CD1 TYR A 39 -1.299 -6.710 -10.246 1.00 33.21 C ATOM 591 CD2 TYR A 39 -0.032 -5.687 -11.987 1.00 33.13 C ATOM 592 CE1 TYR A 39 -0.539 -7.858 -10.362 1.00 32.41 C ATOM 593 CE2 TYR A 39 0.731 -6.832 -12.111 1.00 15.21 C ATOM 594 CZ TYR A 39 0.474 -7.915 -11.296 1.00 1.54 C ATOM 595 OH TYR A 39 1.234 -9.056 -11.415 1.00 71.11 O ATOM 0 H TYR A 39 -2.192 -5.019 -8.555 1.00 11.03 H new ATOM 0 HA TYR A 39 -0.422 -3.198 -9.865 1.00 61.14 H new ATOM 0 HB2 TYR A 39 -2.940 -4.633 -10.797 1.00 70.45 H new ATOM 0 HB3 TYR A 39 -1.826 -3.782 -11.850 1.00 70.45 H new ATOM 0 HD1 TYR A 39 -2.092 -6.670 -9.514 1.00 33.21 H new ATOM 0 HD2 TYR A 39 0.174 -4.840 -12.625 1.00 33.13 H new ATOM 0 HE1 TYR A 39 -0.737 -8.707 -9.724 1.00 32.41 H new ATOM 0 HE2 TYR A 39 1.525 -6.879 -12.842 1.00 15.21 H new ATOM 0 HH TYR A 39 1.903 -8.931 -12.120 1.00 71.11 H new ATOM 605 N ASP A 40 -1.737 -1.130 -10.382 1.00 43.24 N ATOM 606 CA ASP A 40 -2.414 0.159 -10.467 1.00 62.42 C ATOM 607 C ASP A 40 -2.943 0.403 -11.877 1.00 0.10 C ATOM 608 O ASP A 40 -2.837 -0.459 -12.748 1.00 20.43 O ATOM 609 CB ASP A 40 -1.463 1.287 -10.064 1.00 24.12 C ATOM 610 CG ASP A 40 -0.127 1.199 -10.777 1.00 51.21 C ATOM 611 OD1 ASP A 40 -0.124 1.113 -12.022 1.00 73.32 O ATOM 612 OD2 ASP A 40 0.915 1.220 -10.089 1.00 34.53 O ATOM 0 H ASP A 40 -0.820 -1.155 -10.828 1.00 43.24 H new ATOM 0 HA ASP A 40 -3.259 0.143 -9.778 1.00 62.42 H new ATOM 0 HB2 ASP A 40 -1.928 2.247 -10.286 1.00 24.12 H new ATOM 0 HB3 ASP A 40 -1.300 1.254 -8.987 1.00 24.12 H new ATOM 617 N GLU A 41 -3.515 1.584 -12.093 1.00 20.44 N ATOM 618 CA GLU A 41 -4.063 1.939 -13.396 1.00 40.45 C ATOM 619 C GLU A 41 -2.983 1.882 -14.473 1.00 52.13 C ATOM 620 O GLU A 41 -3.279 1.714 -15.657 1.00 61.31 O ATOM 621 CB GLU A 41 -4.680 3.338 -13.351 1.00 12.31 C ATOM 622 CG GLU A 41 -3.665 4.445 -13.117 1.00 63.45 C ATOM 623 CD GLU A 41 -4.302 5.819 -13.055 1.00 34.50 C ATOM 624 OE1 GLU A 41 -5.243 6.072 -13.836 1.00 73.12 O ATOM 625 OE2 GLU A 41 -3.861 6.640 -12.225 1.00 14.51 O ATOM 0 H GLU A 41 -3.611 2.310 -11.383 1.00 20.44 H new ATOM 0 HA GLU A 41 -4.840 1.216 -13.645 1.00 40.45 H new ATOM 0 HB2 GLU A 41 -5.200 3.527 -14.290 1.00 12.31 H new ATOM 0 HB3 GLU A 41 -5.429 3.370 -12.560 1.00 12.31 H new ATOM 0 HG2 GLU A 41 -3.133 4.253 -12.185 1.00 63.45 H new ATOM 0 HG3 GLU A 41 -2.924 4.428 -13.916 1.00 63.45 H new ATOM 632 N LYS A 42 -1.730 2.025 -14.056 1.00 14.44 N ATOM 633 CA LYS A 42 -0.605 1.990 -14.982 1.00 62.54 C ATOM 634 C LYS A 42 -0.006 0.589 -15.059 1.00 15.13 C ATOM 635 O LYS A 42 1.151 0.418 -15.442 1.00 33.22 O ATOM 636 CB LYS A 42 0.469 2.992 -14.552 1.00 12.14 C ATOM 637 CG LYS A 42 -0.067 4.393 -14.313 1.00 72.45 C ATOM 638 CD LYS A 42 1.010 5.317 -13.771 1.00 54.23 C ATOM 639 CE LYS A 42 1.899 5.850 -14.885 1.00 11.30 C ATOM 640 NZ LYS A 42 2.746 6.984 -14.423 1.00 4.04 N ATOM 0 H LYS A 42 -1.468 2.167 -13.080 1.00 14.44 H new ATOM 0 HA LYS A 42 -0.973 2.264 -15.971 1.00 62.54 H new ATOM 0 HB2 LYS A 42 0.944 2.633 -13.639 1.00 12.14 H new ATOM 0 HB3 LYS A 42 1.243 3.034 -15.319 1.00 12.14 H new ATOM 0 HG2 LYS A 42 -0.459 4.798 -15.246 1.00 72.45 H new ATOM 0 HG3 LYS A 42 -0.899 4.350 -13.610 1.00 72.45 H new ATOM 0 HD2 LYS A 42 0.545 6.151 -13.245 1.00 54.23 H new ATOM 0 HD3 LYS A 42 1.619 4.781 -13.043 1.00 54.23 H new ATOM 0 HE2 LYS A 42 2.537 5.048 -15.256 1.00 11.30 H new ATOM 0 HE3 LYS A 42 1.279 6.176 -15.720 1.00 11.30 H new ATOM 0 HZ1 LYS A 42 3.337 7.319 -15.210 1.00 4.04 H new ATOM 0 HZ2 LYS A 42 2.137 7.760 -14.092 1.00 4.04 H new ATOM 0 HZ3 LYS A 42 3.356 6.666 -13.643 1.00 4.04 H new ATOM 654 N ARG A 43 -0.803 -0.410 -14.693 1.00 30.32 N ATOM 655 CA ARG A 43 -0.352 -1.797 -14.720 1.00 3.01 C ATOM 656 C ARG A 43 0.971 -1.952 -13.974 1.00 64.32 C ATOM 657 O ARG A 43 1.788 -2.807 -14.312 1.00 72.53 O ATOM 658 CB ARG A 43 -0.195 -2.276 -16.164 1.00 44.33 C ATOM 659 CG ARG A 43 -1.500 -2.717 -16.805 1.00 52.42 C ATOM 660 CD ARG A 43 -1.895 -4.116 -16.359 1.00 54.30 C ATOM 661 NE ARG A 43 -0.879 -5.107 -16.702 1.00 13.33 N ATOM 662 CZ ARG A 43 -0.638 -5.513 -17.943 1.00 51.32 C ATOM 663 NH1 ARG A 43 -1.337 -5.015 -18.955 1.00 25.45 N ATOM 664 NH2 ARG A 43 0.304 -6.419 -18.175 1.00 53.12 N ATOM 0 H ARG A 43 -1.764 -0.285 -14.374 1.00 30.32 H new ATOM 0 HA ARG A 43 -1.105 -2.408 -14.222 1.00 3.01 H new ATOM 0 HB2 ARG A 43 0.239 -1.472 -16.759 1.00 44.33 H new ATOM 0 HB3 ARG A 43 0.510 -3.107 -16.188 1.00 44.33 H new ATOM 0 HG2 ARG A 43 -2.291 -2.014 -16.544 1.00 52.42 H new ATOM 0 HG3 ARG A 43 -1.399 -2.695 -17.890 1.00 52.42 H new ATOM 0 HD2 ARG A 43 -2.057 -4.121 -15.281 1.00 54.30 H new ATOM 0 HD3 ARG A 43 -2.841 -4.391 -16.824 1.00 54.30 H new ATOM 0 HE ARG A 43 -0.324 -5.509 -15.947 1.00 13.33 H new ATOM 0 HH11 ARG A 43 -2.061 -4.319 -18.781 1.00 25.45 H new ATOM 0 HH12 ARG A 43 -1.150 -5.329 -19.907 1.00 25.45 H new ATOM 0 HH21 ARG A 43 0.843 -6.804 -17.400 1.00 53.12 H new ATOM 0 HH22 ARG A 43 0.488 -6.730 -19.129 1.00 53.12 H new ATOM 678 N ASN A 44 1.174 -1.119 -12.960 1.00 2.34 N ATOM 679 CA ASN A 44 2.397 -1.163 -12.167 1.00 62.41 C ATOM 680 C ASN A 44 2.114 -1.671 -10.756 1.00 62.32 C ATOM 681 O ASN A 44 1.046 -1.418 -10.197 1.00 30.02 O ATOM 682 CB ASN A 44 3.038 0.225 -12.102 1.00 61.15 C ATOM 683 CG ASN A 44 4.527 0.188 -12.393 1.00 32.11 C ATOM 684 OD1 ASN A 44 5.330 -0.172 -11.532 1.00 74.52 O ATOM 685 ND2 ASN A 44 4.901 0.563 -13.610 1.00 73.24 N ATOM 0 H ASN A 44 0.507 -0.405 -12.667 1.00 2.34 H new ATOM 0 HA ASN A 44 3.088 -1.853 -12.650 1.00 62.41 H new ATOM 0 HB2 ASN A 44 2.547 0.883 -12.819 1.00 61.15 H new ATOM 0 HB3 ASN A 44 2.874 0.652 -11.113 1.00 61.15 H new ATOM 0 HD21 ASN A 44 5.889 0.560 -13.863 1.00 73.24 H new ATOM 0 HD22 ASN A 44 4.200 0.854 -14.292 1.00 73.24 H new ATOM 692 N LEU A 45 3.077 -2.388 -10.187 1.00 14.43 N ATOM 693 CA LEU A 45 2.932 -2.931 -8.841 1.00 51.23 C ATOM 694 C LEU A 45 3.368 -1.912 -7.793 1.00 31.54 C ATOM 695 O LEU A 45 4.541 -1.549 -7.719 1.00 43.43 O ATOM 696 CB LEU A 45 3.754 -4.214 -8.696 1.00 55.40 C ATOM 697 CG LEU A 45 3.566 -5.258 -9.796 1.00 73.53 C ATOM 698 CD1 LEU A 45 4.863 -6.012 -10.044 1.00 23.54 C ATOM 699 CD2 LEU A 45 2.448 -6.223 -9.431 1.00 34.54 C ATOM 0 H LEU A 45 3.966 -2.607 -10.637 1.00 14.43 H new ATOM 0 HA LEU A 45 1.879 -3.162 -8.680 1.00 51.23 H new ATOM 0 HB2 LEU A 45 4.809 -3.943 -8.656 1.00 55.40 H new ATOM 0 HB3 LEU A 45 3.506 -4.674 -7.739 1.00 55.40 H new ATOM 0 HG LEU A 45 3.288 -4.742 -10.715 1.00 73.53 H new ATOM 0 HD11 LEU A 45 4.710 -6.751 -10.830 1.00 23.54 H new ATOM 0 HD12 LEU A 45 5.639 -5.311 -10.352 1.00 23.54 H new ATOM 0 HD13 LEU A 45 5.172 -6.516 -9.128 1.00 23.54 H new ATOM 0 HD21 LEU A 45 2.329 -6.959 -10.226 1.00 34.54 H new ATOM 0 HD22 LEU A 45 2.696 -6.732 -8.500 1.00 34.54 H new ATOM 0 HD23 LEU A 45 1.517 -5.670 -9.306 1.00 34.54 H new ATOM 711 N GLN A 46 2.416 -1.460 -6.983 1.00 24.31 N ATOM 712 CA GLN A 46 2.704 -0.485 -5.937 1.00 51.25 C ATOM 713 C GLN A 46 1.999 -0.857 -4.637 1.00 71.14 C ATOM 714 O GLN A 46 1.227 -1.815 -4.589 1.00 63.22 O ATOM 715 CB GLN A 46 2.273 0.914 -6.383 1.00 13.23 C ATOM 716 CG GLN A 46 3.016 1.417 -7.610 1.00 1.33 C ATOM 717 CD GLN A 46 3.001 2.930 -7.720 1.00 71.34 C ATOM 718 OE1 GLN A 46 2.027 3.581 -7.343 1.00 54.33 O ATOM 719 NE2 GLN A 46 4.084 3.496 -8.241 1.00 33.21 N ATOM 0 H GLN A 46 1.440 -1.753 -7.031 1.00 24.31 H new ATOM 0 HA GLN A 46 3.779 -0.487 -5.759 1.00 51.25 H new ATOM 0 HB2 GLN A 46 1.204 0.906 -6.594 1.00 13.23 H new ATOM 0 HB3 GLN A 46 2.430 1.613 -5.561 1.00 13.23 H new ATOM 0 HG2 GLN A 46 4.048 1.069 -7.573 1.00 1.33 H new ATOM 0 HG3 GLN A 46 2.566 0.987 -8.505 1.00 1.33 H new ATOM 0 HE21 GLN A 46 4.868 2.917 -8.540 1.00 33.21 H new ATOM 0 HE22 GLN A 46 4.131 4.510 -8.342 1.00 33.21 H new ATOM 728 N CYS A 47 2.269 -0.093 -3.584 1.00 45.24 N ATOM 729 CA CYS A 47 1.662 -0.342 -2.282 1.00 65.13 C ATOM 730 C CYS A 47 0.519 0.634 -2.019 1.00 44.25 C ATOM 731 O CYS A 47 0.743 1.830 -1.824 1.00 64.21 O ATOM 732 CB CYS A 47 2.712 -0.226 -1.176 1.00 45.44 C ATOM 733 SG CYS A 47 2.218 -0.992 0.402 1.00 1.30 S ATOM 0 H CYS A 47 2.905 0.704 -3.607 1.00 45.24 H new ATOM 0 HA CYS A 47 1.258 -1.354 -2.285 1.00 65.13 H new ATOM 0 HB2 CYS A 47 3.637 -0.689 -1.518 1.00 45.44 H new ATOM 0 HB3 CYS A 47 2.928 0.828 -1.004 1.00 45.44 H new ATOM 738 N ILE A 48 -0.705 0.116 -2.015 1.00 42.50 N ATOM 739 CA ILE A 48 -1.881 0.942 -1.774 1.00 74.01 C ATOM 740 C ILE A 48 -2.371 0.796 -0.338 1.00 61.03 C ATOM 741 O ILE A 48 -2.570 -0.316 0.151 1.00 30.04 O ATOM 742 CB ILE A 48 -3.029 0.579 -2.736 1.00 1.45 C ATOM 743 CG1 ILE A 48 -2.543 0.624 -4.186 1.00 23.21 C ATOM 744 CG2 ILE A 48 -4.205 1.526 -2.537 1.00 61.41 C ATOM 745 CD1 ILE A 48 -2.080 -0.719 -4.709 1.00 30.22 C ATOM 0 H ILE A 48 -0.907 -0.871 -2.176 1.00 42.50 H new ATOM 0 HA ILE A 48 -1.583 1.976 -1.949 1.00 74.01 H new ATOM 0 HB ILE A 48 -3.361 -0.435 -2.515 1.00 1.45 H new ATOM 0 HG12 ILE A 48 -3.349 0.994 -4.820 1.00 23.21 H new ATOM 0 HG13 ILE A 48 -1.723 1.338 -4.264 1.00 23.21 H new ATOM 0 HG21 ILE A 48 -5.008 1.258 -3.223 1.00 61.41 H new ATOM 0 HG22 ILE A 48 -4.564 1.450 -1.511 1.00 61.41 H new ATOM 0 HG23 ILE A 48 -3.886 2.549 -2.735 1.00 61.41 H new ATOM 0 HD11 ILE A 48 -1.749 -0.613 -5.742 1.00 30.22 H new ATOM 0 HD12 ILE A 48 -1.253 -1.082 -4.099 1.00 30.22 H new ATOM 0 HD13 ILE A 48 -2.904 -1.431 -4.663 1.00 30.22 H new ATOM 757 N CYS A 49 -2.566 1.926 0.333 1.00 2.22 N ATOM 758 CA CYS A 49 -3.034 1.926 1.714 1.00 41.44 C ATOM 759 C CYS A 49 -4.513 2.292 1.786 1.00 2.25 C ATOM 760 O CYS A 49 -4.952 3.269 1.180 1.00 13.21 O ATOM 761 CB CYS A 49 -2.212 2.907 2.553 1.00 52.23 C ATOM 762 SG CYS A 49 -0.418 2.827 2.247 1.00 34.30 S ATOM 0 H CYS A 49 -2.407 2.855 -0.058 1.00 2.22 H new ATOM 0 HA CYS A 49 -2.907 0.921 2.115 1.00 41.44 H new ATOM 0 HB2 CYS A 49 -2.559 3.920 2.351 1.00 52.23 H new ATOM 0 HB3 CYS A 49 -2.399 2.710 3.609 1.00 52.23 H new ATOM 767 N ASP A 50 -5.277 1.502 2.533 1.00 65.43 N ATOM 768 CA ASP A 50 -6.707 1.743 2.687 1.00 64.04 C ATOM 769 C ASP A 50 -7.045 2.100 4.131 1.00 44.34 C ATOM 770 O ASP A 50 -6.734 1.350 5.056 1.00 22.33 O ATOM 771 CB ASP A 50 -7.502 0.510 2.254 1.00 51.43 C ATOM 772 CG ASP A 50 -8.986 0.796 2.124 1.00 43.45 C ATOM 773 OD1 ASP A 50 -9.368 1.983 2.173 1.00 43.22 O ATOM 774 OD2 ASP A 50 -9.765 -0.169 1.974 1.00 0.24 O ATOM 0 H ASP A 50 -4.930 0.689 3.041 1.00 65.43 H new ATOM 0 HA ASP A 50 -6.980 2.584 2.050 1.00 64.04 H new ATOM 0 HB2 ASP A 50 -7.119 0.151 1.299 1.00 51.43 H new ATOM 0 HB3 ASP A 50 -7.351 -0.290 2.979 1.00 51.43 H new ATOM 779 N TYR A 51 -7.682 3.251 4.316 1.00 53.11 N ATOM 780 CA TYR A 51 -8.060 3.710 5.647 1.00 22.33 C ATOM 781 C TYR A 51 -9.553 4.016 5.715 1.00 60.31 C ATOM 782 O TYR A 51 -10.036 4.953 5.081 1.00 54.13 O ATOM 783 CB TYR A 51 -7.256 4.954 6.027 1.00 44.31 C ATOM 784 CG TYR A 51 -7.454 5.388 7.462 1.00 12.51 C ATOM 785 CD1 TYR A 51 -7.367 4.474 8.504 1.00 43.21 C ATOM 786 CD2 TYR A 51 -7.729 6.714 7.776 1.00 40.21 C ATOM 787 CE1 TYR A 51 -7.548 4.866 9.816 1.00 34.32 C ATOM 788 CE2 TYR A 51 -7.910 7.116 9.084 1.00 3.05 C ATOM 789 CZ TYR A 51 -7.819 6.188 10.102 1.00 71.41 C ATOM 790 OH TYR A 51 -7.999 6.583 11.407 1.00 75.21 O ATOM 0 H TYR A 51 -7.947 3.883 3.561 1.00 53.11 H new ATOM 0 HA TYR A 51 -7.839 2.911 6.355 1.00 22.33 H new ATOM 0 HB2 TYR A 51 -6.197 4.757 5.858 1.00 44.31 H new ATOM 0 HB3 TYR A 51 -7.537 5.774 5.366 1.00 44.31 H new ATOM 0 HD1 TYR A 51 -7.154 3.438 8.285 1.00 43.21 H new ATOM 0 HD2 TYR A 51 -7.802 7.443 6.982 1.00 40.21 H new ATOM 0 HE1 TYR A 51 -7.478 4.141 10.614 1.00 34.32 H new ATOM 0 HE2 TYR A 51 -8.122 8.151 9.310 1.00 3.05 H new ATOM 0 HH TYR A 51 -8.181 7.546 11.435 1.00 75.21 H new ATOM 800 N CYS A 52 -10.280 3.216 6.489 1.00 3.32 N ATOM 801 CA CYS A 52 -11.718 3.398 6.643 1.00 44.22 C ATOM 802 C CYS A 52 -12.088 3.585 8.111 1.00 55.41 C ATOM 803 O CYS A 52 -11.516 2.947 8.992 1.00 5.10 O ATOM 804 CB CYS A 52 -12.469 2.198 6.064 1.00 12.31 C ATOM 805 SG CYS A 52 -14.113 2.604 5.392 1.00 40.33 S ATOM 0 H CYS A 52 -9.895 2.434 7.020 1.00 3.32 H new ATOM 0 HA CYS A 52 -12.007 4.296 6.097 1.00 44.22 H new ATOM 0 HB2 CYS A 52 -11.865 1.752 5.274 1.00 12.31 H new ATOM 0 HB3 CYS A 52 -12.583 1.444 6.843 1.00 12.31 H new ATOM 810 N GLU A 53 -13.052 4.466 8.364 1.00 35.31 N ATOM 811 CA GLU A 53 -13.499 4.737 9.725 1.00 15.32 C ATOM 812 C GLU A 53 -15.016 4.612 9.835 1.00 15.30 C ATOM 813 O GLU A 53 -15.758 5.267 9.103 1.00 13.24 O ATOM 814 CB GLU A 53 -13.059 6.137 10.161 1.00 62.42 C ATOM 815 CG GLU A 53 -13.619 7.249 9.291 1.00 5.41 C ATOM 816 CD GLU A 53 -14.906 7.830 9.843 1.00 2.40 C ATOM 817 OE1 GLU A 53 -14.934 8.173 11.044 1.00 62.33 O ATOM 818 OE2 GLU A 53 -15.884 7.943 9.075 1.00 10.22 O ATOM 0 H GLU A 53 -13.537 5.003 7.645 1.00 35.31 H new ATOM 0 HA GLU A 53 -13.042 3.998 10.384 1.00 15.32 H new ATOM 0 HB2 GLU A 53 -13.371 6.302 11.192 1.00 62.42 H new ATOM 0 HB3 GLU A 53 -11.970 6.188 10.145 1.00 62.42 H new ATOM 0 HG2 GLU A 53 -12.877 8.042 9.199 1.00 5.41 H new ATOM 0 HG3 GLU A 53 -13.800 6.864 8.287 1.00 5.41 H new ATOM 825 N TYR A 54 -15.469 3.766 10.753 1.00 74.13 N ATOM 826 CA TYR A 54 -16.897 3.552 10.957 1.00 53.43 C ATOM 827 C TYR A 54 -17.570 4.821 11.474 1.00 62.34 C ATOM 828 O TYR A 54 -17.582 5.084 12.675 1.00 74.54 O ATOM 829 CB TYR A 54 -17.127 2.403 11.941 1.00 2.21 C ATOM 830 CG TYR A 54 -16.380 1.139 11.580 1.00 60.42 C ATOM 831 CD1 TYR A 54 -16.724 0.405 10.451 1.00 32.43 C ATOM 832 CD2 TYR A 54 -15.332 0.679 12.366 1.00 24.41 C ATOM 833 CE1 TYR A 54 -16.045 -0.752 10.118 1.00 12.01 C ATOM 834 CE2 TYR A 54 -14.647 -0.476 12.040 1.00 41.04 C ATOM 835 CZ TYR A 54 -15.007 -1.188 10.915 1.00 54.25 C ATOM 836 OH TYR A 54 -14.329 -2.339 10.587 1.00 63.21 O ATOM 0 H TYR A 54 -14.868 3.217 11.368 1.00 74.13 H new ATOM 0 HA TYR A 54 -17.340 3.293 9.996 1.00 53.43 H new ATOM 0 HB2 TYR A 54 -16.823 2.723 12.938 1.00 2.21 H new ATOM 0 HB3 TYR A 54 -18.194 2.184 11.988 1.00 2.21 H new ATOM 0 HD1 TYR A 54 -17.535 0.744 9.824 1.00 32.43 H new ATOM 0 HD2 TYR A 54 -15.047 1.234 13.248 1.00 24.41 H new ATOM 0 HE1 TYR A 54 -16.326 -1.312 9.238 1.00 12.01 H new ATOM 0 HE2 TYR A 54 -13.834 -0.819 12.663 1.00 41.04 H new ATOM 0 HH TYR A 54 -13.627 -2.505 11.250 1.00 63.21 H new TER 846 TYR A 54