USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -52:sc= 1.11 USER MOD Single : A 9 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.0064) USER MOD Single : A 10 GLN : amide:sc= -0.384 K(o=-0.38,f=-5.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -8.98! C(o=-9!,f=-5.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.773 X(o=-0.77,f=-0.65) USER MOD Single : A 33 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -7.46! C(o=-7.5!,f=-3.4!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 8.716 -9.782 18.416 1.00 0.00 N ATOM 2 CA GLU A 1 8.283 -11.021 19.039 1.00 0.00 C ATOM 3 C GLU A 1 7.203 -11.693 18.189 1.00 0.00 C ATOM 4 O GLU A 1 7.327 -12.864 17.833 1.00 0.00 O ATOM 5 CB GLU A 1 7.784 -10.773 20.464 1.00 0.00 C ATOM 6 CG GLU A 1 8.775 -11.318 21.494 1.00 0.00 C ATOM 7 CD GLU A 1 9.942 -10.350 21.698 1.00 0.00 C ATOM 8 OE1 GLU A 1 9.659 -9.188 22.063 1.00 0.00 O ATOM 9 OE2 GLU A 1 11.091 -10.793 21.485 1.00 0.00 O ATOM 0 H1 GLU A 1 9.449 -9.336 19.003 1.00 0.00 H new ATOM 0 H2 GLU A 1 9.104 -9.985 17.473 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.905 -9.137 18.326 1.00 0.00 H new ATOM 0 HA GLU A 1 9.139 -11.693 19.101 1.00 0.00 H new ATOM 0 HB2 GLU A 1 7.641 -9.704 20.622 1.00 0.00 H new ATOM 0 HB3 GLU A 1 6.813 -11.249 20.601 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.265 -11.483 22.443 1.00 0.00 H new ATOM 0 HG3 GLU A 1 9.154 -12.285 21.163 1.00 0.00 H new ATOM 16 N GLU A 2 6.167 -10.923 17.888 1.00 0.00 N ATOM 17 CA GLU A 2 5.066 -11.429 17.087 1.00 0.00 C ATOM 18 C GLU A 2 5.139 -10.864 15.667 1.00 0.00 C ATOM 19 O GLU A 2 5.599 -9.741 15.465 1.00 0.00 O ATOM 20 CB GLU A 2 3.720 -11.105 17.738 1.00 0.00 C ATOM 21 CG GLU A 2 3.453 -9.598 17.724 1.00 0.00 C ATOM 22 CD GLU A 2 3.628 -8.998 19.121 1.00 0.00 C ATOM 23 OE1 GLU A 2 2.931 -9.483 20.038 1.00 0.00 O ATOM 24 OE2 GLU A 2 4.454 -8.067 19.239 1.00 0.00 O ATOM 0 H GLU A 2 6.067 -9.952 18.185 1.00 0.00 H new ATOM 0 HA GLU A 2 5.153 -12.514 17.030 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.921 -11.624 17.208 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.711 -11.470 18.765 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.135 -9.111 17.027 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.441 -9.407 17.366 1.00 0.00 H new ATOM 31 N TYR A 3 4.678 -11.667 14.720 1.00 0.00 N ATOM 32 CA TYR A 3 4.685 -11.261 13.325 1.00 0.00 C ATOM 33 C TYR A 3 3.471 -10.387 13.002 1.00 0.00 C ATOM 34 O TYR A 3 2.693 -10.046 13.891 1.00 0.00 O ATOM 35 CB TYR A 3 4.600 -12.553 12.509 1.00 0.00 C ATOM 36 CG TYR A 3 5.060 -12.403 11.058 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.368 -12.061 10.780 1.00 0.00 C ATOM 38 CD2 TYR A 3 4.167 -12.611 10.026 1.00 0.00 C ATOM 39 CE1 TYR A 3 6.801 -11.920 9.414 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.600 -12.471 8.660 1.00 0.00 C ATOM 41 CZ TYR A 3 5.896 -12.132 8.421 1.00 0.00 C ATOM 42 OH TYR A 3 6.305 -12.000 7.131 1.00 0.00 O ATOM 0 H TYR A 3 4.297 -12.597 14.891 1.00 0.00 H new ATOM 0 HA TYR A 3 5.580 -10.682 13.099 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.206 -13.318 12.994 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.570 -12.909 12.518 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.067 -11.899 11.587 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.144 -12.879 10.243 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.821 -11.652 9.183 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.912 -12.631 7.843 1.00 0.00 H new ATOM 0 HH TYR A 3 5.553 -12.182 6.529 1.00 0.00 H new ATOM 52 N VAL A 4 3.348 -10.049 11.727 1.00 0.00 N ATOM 53 CA VAL A 4 2.242 -9.221 11.275 1.00 0.00 C ATOM 54 C VAL A 4 2.375 -7.825 11.886 1.00 0.00 C ATOM 55 O VAL A 4 1.898 -7.579 12.993 1.00 0.00 O ATOM 56 CB VAL A 4 0.912 -9.897 11.612 1.00 0.00 C ATOM 57 CG1 VAL A 4 -0.188 -8.858 11.841 1.00 0.00 C ATOM 58 CG2 VAL A 4 0.509 -10.890 10.519 1.00 0.00 C ATOM 0 H VAL A 4 3.996 -10.333 10.992 1.00 0.00 H new ATOM 0 HA VAL A 4 2.267 -9.106 10.191 1.00 0.00 H new ATOM 0 HB VAL A 4 1.045 -10.455 12.539 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.123 -9.365 12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.093 -8.207 12.669 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.318 -8.261 10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.440 -11.357 10.783 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.403 -10.364 9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.277 -11.658 10.424 1.00 0.00 H new ATOM 68 N GLY A 5 3.024 -6.945 11.136 1.00 0.00 N ATOM 69 CA GLY A 5 3.224 -5.580 11.590 1.00 0.00 C ATOM 70 C GLY A 5 1.988 -4.722 11.312 1.00 0.00 C ATOM 71 O GLY A 5 2.001 -3.514 11.543 1.00 0.00 O ATOM 0 H GLY A 5 3.417 -7.151 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.440 -5.577 12.658 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.090 -5.149 11.088 1.00 0.00 H new ATOM 75 N LEU A 6 0.949 -5.381 10.820 1.00 0.00 N ATOM 76 CA LEU A 6 -0.293 -4.694 10.508 1.00 0.00 C ATOM 77 C LEU A 6 0.024 -3.318 9.920 1.00 0.00 C ATOM 78 O LEU A 6 0.152 -2.340 10.655 1.00 0.00 O ATOM 79 CB LEU A 6 -1.201 -4.643 11.739 1.00 0.00 C ATOM 80 CG LEU A 6 -0.551 -4.144 13.031 1.00 0.00 C ATOM 81 CD1 LEU A 6 -1.599 -3.572 13.987 1.00 0.00 C ATOM 82 CD2 LEU A 6 0.282 -5.247 13.688 1.00 0.00 C ATOM 0 H LEU A 6 0.942 -6.383 10.630 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.852 -5.243 9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.052 -4.001 11.512 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.595 -5.643 11.917 1.00 0.00 H new ATOM 0 HG LEU A 6 0.131 -3.332 12.778 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.110 -3.225 14.897 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.111 -2.737 13.509 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.324 -4.346 14.238 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.733 -4.866 14.604 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.360 -6.095 13.925 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.067 -5.567 13.003 1.00 0.00 H new ATOM 94 N SER A 7 0.140 -3.286 8.601 1.00 0.00 N ATOM 95 CA SER A 7 0.439 -2.046 7.905 1.00 0.00 C ATOM 96 C SER A 7 1.685 -1.395 8.510 1.00 0.00 C ATOM 97 O SER A 7 2.329 -1.972 9.384 1.00 0.00 O ATOM 98 CB SER A 7 -0.746 -1.081 7.965 1.00 0.00 C ATOM 99 OG SER A 7 -0.798 -0.375 9.201 1.00 0.00 O ATOM 0 H SER A 7 0.032 -4.099 7.995 1.00 0.00 H new ATOM 0 HA SER A 7 0.630 -2.279 6.857 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.675 -0.368 7.143 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.673 -1.637 7.826 1.00 0.00 H new ATOM 0 HG SER A 7 -0.754 -1.012 9.944 1.00 0.00 H new ATOM 105 N ALA A 8 1.986 -0.201 8.020 1.00 0.00 N ATOM 106 CA ALA A 8 3.143 0.535 8.501 1.00 0.00 C ATOM 107 C ALA A 8 4.418 -0.203 8.091 1.00 0.00 C ATOM 108 O ALA A 8 5.119 0.223 7.175 1.00 0.00 O ATOM 109 CB ALA A 8 3.037 0.719 10.017 1.00 0.00 C ATOM 0 H ALA A 8 1.449 0.275 7.295 1.00 0.00 H new ATOM 0 HA ALA A 8 3.179 1.528 8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.905 1.271 10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.129 1.274 10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.001 -0.257 10.500 1.00 0.00 H new ATOM 115 N ASN A 9 4.681 -1.298 8.790 1.00 0.00 N ATOM 116 CA ASN A 9 5.860 -2.100 8.509 1.00 0.00 C ATOM 117 C ASN A 9 5.895 -2.443 7.019 1.00 0.00 C ATOM 118 O ASN A 9 6.780 -1.990 6.295 1.00 0.00 O ATOM 119 CB ASN A 9 5.834 -3.412 9.296 1.00 0.00 C ATOM 120 CG ASN A 9 7.086 -3.557 10.162 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.209 -3.543 9.684 1.00 0.00 O ATOM 122 ND2 ASN A 9 6.833 -3.696 11.461 1.00 0.00 N ATOM 0 H ASN A 9 4.098 -1.648 9.550 1.00 0.00 H new ATOM 0 HA ASN A 9 6.738 -1.523 8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.946 -3.444 9.927 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.766 -4.253 8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.603 -3.799 12.122 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.869 -3.699 11.795 1.00 0.00 H new ATOM 129 N GLN A 10 4.922 -3.241 6.605 1.00 0.00 N ATOM 130 CA GLN A 10 4.831 -3.651 5.213 1.00 0.00 C ATOM 131 C GLN A 10 4.854 -2.426 4.297 1.00 0.00 C ATOM 132 O GLN A 10 5.445 -2.464 3.219 1.00 0.00 O ATOM 133 CB GLN A 10 3.577 -4.493 4.971 1.00 0.00 C ATOM 134 CG GLN A 10 2.371 -3.906 5.706 1.00 0.00 C ATOM 135 CD GLN A 10 1.788 -4.916 6.697 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.585 -5.079 6.821 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.704 -5.583 7.392 1.00 0.00 N ATOM 0 H GLN A 10 4.190 -3.615 7.209 1.00 0.00 H new ATOM 0 HA GLN A 10 5.696 -4.272 4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.368 -4.541 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.750 -5.515 5.308 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.669 -3.001 6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.607 -3.616 4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.695 -5.398 7.239 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.416 -6.280 8.078 1.00 0.00 H new ATOM 146 N CYS A 11 4.204 -1.368 4.760 1.00 0.00 N ATOM 147 CA CYS A 11 4.142 -0.134 3.995 1.00 0.00 C ATOM 148 C CYS A 11 5.192 0.830 4.553 1.00 0.00 C ATOM 149 O CYS A 11 4.942 2.029 4.665 1.00 0.00 O ATOM 150 CB CYS A 11 2.739 0.476 4.018 1.00 0.00 C ATOM 151 SG CYS A 11 1.392 -0.711 4.369 1.00 0.00 S ATOM 0 H CYS A 11 3.716 -1.340 5.655 1.00 0.00 H new ATOM 0 HA CYS A 11 4.360 -0.341 2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.714 1.265 4.769 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.547 0.947 3.054 1.00 0.00 H new ATOM 156 N ALA A 12 6.345 0.269 4.888 1.00 0.00 N ATOM 157 CA ALA A 12 7.434 1.063 5.431 1.00 0.00 C ATOM 158 C ALA A 12 8.430 1.385 4.315 1.00 0.00 C ATOM 159 O ALA A 12 9.641 1.331 4.525 1.00 0.00 O ATOM 160 CB ALA A 12 8.083 0.312 6.594 1.00 0.00 C ATOM 0 H ALA A 12 6.549 -0.726 4.794 1.00 0.00 H new ATOM 0 HA ALA A 12 7.061 2.009 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.900 0.908 7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.341 0.134 7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.472 -0.642 6.239 1.00 0.00 H new ATOM 166 N VAL A 13 7.884 1.713 3.154 1.00 0.00 N ATOM 167 CA VAL A 13 8.710 2.043 2.005 1.00 0.00 C ATOM 168 C VAL A 13 8.936 3.556 1.963 1.00 0.00 C ATOM 169 O VAL A 13 8.115 4.324 2.461 1.00 0.00 O ATOM 170 CB VAL A 13 8.070 1.498 0.726 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.110 0.800 -0.153 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.908 0.559 1.052 1.00 0.00 C ATOM 0 H VAL A 13 6.879 1.757 2.984 1.00 0.00 H new ATOM 0 HA VAL A 13 9.688 1.570 2.089 1.00 0.00 H new ATOM 0 HB VAL A 13 7.670 2.343 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.629 0.422 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.890 1.510 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.553 -0.030 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.471 0.186 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.273 -0.280 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.150 1.101 1.618 1.00 0.00 H new ATOM 182 N PRO A 14 10.084 3.949 1.348 1.00 0.00 N ATOM 183 CA PRO A 14 10.428 5.356 1.234 1.00 0.00 C ATOM 184 C PRO A 14 9.579 6.043 0.164 1.00 0.00 C ATOM 185 O PRO A 14 8.859 6.998 0.455 1.00 0.00 O ATOM 186 CB PRO A 14 11.914 5.372 0.914 1.00 0.00 C ATOM 187 CG PRO A 14 12.246 3.980 0.403 1.00 0.00 C ATOM 188 CD PRO A 14 11.080 3.067 0.747 1.00 0.00 C ATOM 0 HA PRO A 14 10.224 5.915 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.144 6.128 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.502 5.613 1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.412 3.998 -0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.165 3.614 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.687 2.574 -0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.383 2.282 1.439 1.00 0.00 H new ATOM 196 N ALA A 15 9.690 5.532 -1.053 1.00 0.00 N ATOM 197 CA ALA A 15 8.940 6.085 -2.169 1.00 0.00 C ATOM 198 C ALA A 15 9.592 5.647 -3.482 1.00 0.00 C ATOM 199 O ALA A 15 8.938 5.617 -4.524 1.00 0.00 O ATOM 200 CB ALA A 15 8.870 7.607 -2.032 1.00 0.00 C ATOM 0 H ALA A 15 10.288 4.741 -1.291 1.00 0.00 H new ATOM 0 HA ALA A 15 7.917 5.710 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.308 8.022 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.373 7.866 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.879 8.019 -2.033 1.00 0.00 H new ATOM 206 N LYS A 16 10.872 5.319 -3.390 1.00 0.00 N ATOM 207 CA LYS A 16 11.619 4.884 -4.558 1.00 0.00 C ATOM 208 C LYS A 16 11.571 3.358 -4.650 1.00 0.00 C ATOM 209 O LYS A 16 12.156 2.768 -5.557 1.00 0.00 O ATOM 210 CB LYS A 16 13.039 5.454 -4.528 1.00 0.00 C ATOM 211 CG LYS A 16 13.837 4.875 -3.358 1.00 0.00 C ATOM 212 CD LYS A 16 14.605 3.622 -3.785 1.00 0.00 C ATOM 213 CE LYS A 16 15.789 3.984 -4.684 1.00 0.00 C ATOM 214 NZ LYS A 16 17.060 3.889 -3.930 1.00 0.00 N ATOM 0 H LYS A 16 11.411 5.346 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 16 11.163 5.273 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.546 5.227 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.997 6.540 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.535 5.624 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.162 4.630 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.963 3.092 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.936 2.944 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.818 3.315 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.664 4.995 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.854 4.138 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.035 4.545 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.185 2.917 -3.582 1.00 0.00 H new ATOM 228 N ASP A 17 10.867 2.762 -3.699 1.00 0.00 N ATOM 229 CA ASP A 17 10.734 1.315 -3.662 1.00 0.00 C ATOM 230 C ASP A 17 9.260 0.938 -3.824 1.00 0.00 C ATOM 231 O ASP A 17 8.884 -0.214 -3.617 1.00 0.00 O ATOM 232 CB ASP A 17 11.222 0.752 -2.326 1.00 0.00 C ATOM 233 CG ASP A 17 12.550 -0.005 -2.389 1.00 0.00 C ATOM 234 OD1 ASP A 17 13.393 0.397 -3.219 1.00 0.00 O ATOM 235 OD2 ASP A 17 12.691 -0.969 -1.606 1.00 0.00 O ATOM 0 H ASP A 17 10.383 3.254 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 17 11.336 0.900 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.323 1.574 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.458 0.083 -1.930 1.00 0.00 H new ATOM 240 N ARG A 18 8.465 1.932 -4.193 1.00 0.00 N ATOM 241 CA ARG A 18 7.041 1.719 -4.385 1.00 0.00 C ATOM 242 C ARG A 18 6.784 1.019 -5.721 1.00 0.00 C ATOM 243 O ARG A 18 7.091 1.563 -6.780 1.00 0.00 O ATOM 244 CB ARG A 18 6.277 3.045 -4.358 1.00 0.00 C ATOM 245 CG ARG A 18 6.803 3.958 -3.249 1.00 0.00 C ATOM 246 CD ARG A 18 6.582 3.331 -1.871 1.00 0.00 C ATOM 247 NE ARG A 18 6.801 4.343 -0.813 1.00 0.00 N ATOM 248 CZ ARG A 18 6.041 5.434 -0.648 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.008 5.661 -1.470 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.314 6.298 0.339 1.00 0.00 N ATOM 0 H ARG A 18 8.780 2.887 -4.364 1.00 0.00 H new ATOM 0 HA ARG A 18 6.687 1.091 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.374 3.545 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.215 2.854 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.866 4.145 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.299 4.923 -3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.569 2.934 -1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.264 2.492 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 18 7.579 4.201 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.800 5.003 -2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.429 6.492 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.101 6.125 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.735 7.129 0.464 1.00 0.00 H new ATOM 264 N VAL A 19 6.225 -0.179 -5.627 1.00 0.00 N ATOM 265 CA VAL A 19 5.923 -0.959 -6.815 1.00 0.00 C ATOM 266 C VAL A 19 4.576 -0.512 -7.386 1.00 0.00 C ATOM 267 O VAL A 19 4.202 -0.912 -8.487 1.00 0.00 O ATOM 268 CB VAL A 19 5.966 -2.453 -6.484 1.00 0.00 C ATOM 269 CG1 VAL A 19 6.197 -3.287 -7.746 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.032 -2.750 -5.427 1.00 0.00 C ATOM 0 H VAL A 19 5.973 -0.628 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 19 6.675 -0.788 -7.585 1.00 0.00 H new ATOM 0 HB VAL A 19 4.997 -2.733 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.223 -4.345 -7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.387 -3.109 -8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.145 -3.002 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.042 -3.818 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.010 -2.447 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.805 -2.197 -4.516 1.00 0.00 H new ATOM 280 N ASP A 20 3.885 0.311 -6.611 1.00 0.00 N ATOM 281 CA ASP A 20 2.588 0.817 -7.026 1.00 0.00 C ATOM 282 C ASP A 20 1.632 -0.358 -7.241 1.00 0.00 C ATOM 283 O ASP A 20 1.882 -1.220 -8.082 1.00 0.00 O ATOM 284 CB ASP A 20 2.694 1.588 -8.344 1.00 0.00 C ATOM 285 CG ASP A 20 1.362 1.837 -9.055 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.757 0.836 -9.495 1.00 0.00 O ATOM 287 OD2 ASP A 20 0.979 3.024 -9.144 1.00 0.00 O ATOM 0 H ASP A 20 4.199 0.640 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 20 2.221 1.484 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.170 2.549 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.351 1.038 -9.018 1.00 0.00 H new ATOM 292 N CYS A 21 0.557 -0.354 -6.467 1.00 0.00 N ATOM 293 CA CYS A 21 -0.438 -1.408 -6.562 1.00 0.00 C ATOM 294 C CYS A 21 -1.412 -1.050 -7.686 1.00 0.00 C ATOM 295 O CYS A 21 -2.023 -1.933 -8.287 1.00 0.00 O ATOM 296 CB CYS A 21 -1.159 -1.628 -5.231 1.00 0.00 C ATOM 297 SG CYS A 21 -1.651 -3.359 -4.900 1.00 0.00 S ATOM 0 H CYS A 21 0.353 0.363 -5.771 1.00 0.00 H new ATOM 0 HA CYS A 21 0.052 -2.353 -6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.511 -1.289 -4.423 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.051 -1.001 -5.209 1.00 0.00 H new ATOM 302 N GLY A 22 -1.526 0.246 -7.937 1.00 0.00 N ATOM 303 CA GLY A 22 -2.415 0.731 -8.979 1.00 0.00 C ATOM 304 C GLY A 22 -3.879 0.607 -8.552 1.00 0.00 C ATOM 305 O GLY A 22 -4.522 -0.407 -8.816 1.00 0.00 O ATOM 0 H GLY A 22 -1.017 0.975 -7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.185 1.773 -9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.250 0.164 -9.895 1.00 0.00 H new ATOM 309 N TYR A 23 -4.362 1.654 -7.899 1.00 0.00 N ATOM 310 CA TYR A 23 -5.738 1.675 -7.433 1.00 0.00 C ATOM 311 C TYR A 23 -6.370 3.051 -7.650 1.00 0.00 C ATOM 312 O TYR A 23 -5.688 4.072 -7.567 1.00 0.00 O ATOM 313 CB TYR A 23 -5.679 1.385 -5.931 1.00 0.00 C ATOM 314 CG TYR A 23 -5.805 -0.098 -5.578 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.968 -0.781 -5.871 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.755 -0.753 -4.968 1.00 0.00 C ATOM 317 CE1 TYR A 23 -7.086 -2.177 -5.538 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.873 -2.149 -4.635 1.00 0.00 C ATOM 319 CZ TYR A 23 -6.033 -2.792 -4.937 1.00 0.00 C ATOM 320 OH TYR A 23 -6.145 -4.111 -4.623 1.00 0.00 O ATOM 0 H TYR A 23 -3.825 2.494 -7.682 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.338 0.946 -7.977 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.736 1.763 -5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.478 1.935 -5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.789 -0.269 -6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.845 -0.219 -4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.991 -2.723 -5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.059 -2.673 -4.156 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.316 -4.418 -4.199 1.00 0.00 H new ATOM 330 N PRO A 24 -7.700 3.035 -7.932 1.00 0.00 N ATOM 331 CA PRO A 24 -8.431 4.269 -8.162 1.00 0.00 C ATOM 332 C PRO A 24 -8.684 5.011 -6.848 1.00 0.00 C ATOM 333 O PRO A 24 -8.098 6.064 -6.603 1.00 0.00 O ATOM 334 CB PRO A 24 -9.713 3.843 -8.859 1.00 0.00 C ATOM 335 CG PRO A 24 -9.866 2.357 -8.578 1.00 0.00 C ATOM 336 CD PRO A 24 -8.540 1.846 -8.039 1.00 0.00 C ATOM 0 HA PRO A 24 -7.875 4.978 -8.776 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.568 4.402 -8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.657 4.034 -9.931 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.664 2.185 -7.855 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.140 1.823 -9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.666 1.362 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.098 1.108 -8.709 1.00 0.00 H new ATOM 344 N HIS A 25 -9.556 4.430 -6.036 1.00 0.00 N ATOM 345 CA HIS A 25 -9.892 5.023 -4.753 1.00 0.00 C ATOM 346 C HIS A 25 -8.950 4.483 -3.675 1.00 0.00 C ATOM 347 O HIS A 25 -9.289 3.536 -2.966 1.00 0.00 O ATOM 348 CB HIS A 25 -11.368 4.794 -4.419 1.00 0.00 C ATOM 349 CG HIS A 25 -11.704 3.363 -4.074 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.874 3.002 -3.428 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.014 2.207 -4.292 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.876 1.687 -3.269 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.722 1.196 -3.805 1.00 0.00 N ATOM 0 H HIS A 25 -10.039 3.556 -6.242 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.753 6.103 -4.800 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.644 5.434 -3.581 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.975 5.104 -5.270 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -13.610 3.640 -3.126 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.053 2.128 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.655 1.106 -2.798 1.00 0.00 H new ATOM 362 N VAL A 26 -7.785 5.108 -3.586 1.00 0.00 N ATOM 363 CA VAL A 26 -6.791 4.702 -2.607 1.00 0.00 C ATOM 364 C VAL A 26 -6.897 5.603 -1.375 1.00 0.00 C ATOM 365 O VAL A 26 -7.026 6.820 -1.501 1.00 0.00 O ATOM 366 CB VAL A 26 -5.398 4.714 -3.239 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.280 3.644 -4.326 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.061 6.099 -3.794 1.00 0.00 C ATOM 0 H VAL A 26 -7.507 5.892 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.975 3.679 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.674 4.480 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.280 3.674 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.457 2.661 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.019 3.834 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.066 6.081 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.792 6.374 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.085 6.830 -2.986 1.00 0.00 H new ATOM 378 N THR A 27 -6.840 4.971 -0.212 1.00 0.00 N ATOM 379 CA THR A 27 -6.928 5.701 1.041 1.00 0.00 C ATOM 380 C THR A 27 -6.138 4.979 2.135 1.00 0.00 C ATOM 381 O THR A 27 -5.668 3.861 1.932 1.00 0.00 O ATOM 382 CB THR A 27 -8.408 5.883 1.380 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.755 4.689 2.076 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.300 5.861 0.137 1.00 0.00 C ATOM 0 H THR A 27 -6.734 3.962 -0.111 1.00 0.00 H new ATOM 0 HA THR A 27 -6.476 6.689 0.955 1.00 0.00 H new ATOM 0 HB THR A 27 -8.545 6.826 1.910 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.700 4.724 2.335 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.340 5.994 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.008 6.668 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.188 4.905 -0.374 1.00 0.00 H new ATOM 392 N PRO A 28 -6.014 5.666 3.303 1.00 0.00 N ATOM 393 CA PRO A 28 -5.290 5.102 4.429 1.00 0.00 C ATOM 394 C PRO A 28 -6.111 4.011 5.119 1.00 0.00 C ATOM 395 O PRO A 28 -6.125 3.921 6.345 1.00 0.00 O ATOM 396 CB PRO A 28 -4.992 6.285 5.337 1.00 0.00 C ATOM 397 CG PRO A 28 -5.957 7.383 4.920 1.00 0.00 C ATOM 398 CD PRO A 28 -6.557 6.992 3.580 1.00 0.00 C ATOM 0 HA PRO A 28 -4.368 4.604 4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.132 6.019 6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.958 6.611 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.741 7.507 5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.438 8.338 4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.646 6.972 3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.282 7.703 2.801 1.00 0.00 H new ATOM 406 N LYS A 29 -6.776 3.209 4.300 1.00 0.00 N ATOM 407 CA LYS A 29 -7.598 2.128 4.816 1.00 0.00 C ATOM 408 C LYS A 29 -8.210 1.356 3.645 1.00 0.00 C ATOM 409 O LYS A 29 -8.138 0.129 3.601 1.00 0.00 O ATOM 410 CB LYS A 29 -8.633 2.667 5.805 1.00 0.00 C ATOM 411 CG LYS A 29 -8.953 1.629 6.883 1.00 0.00 C ATOM 412 CD LYS A 29 -10.221 0.848 6.533 1.00 0.00 C ATOM 413 CE LYS A 29 -11.372 1.222 7.469 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.130 0.014 7.866 1.00 0.00 N ATOM 0 H LYS A 29 -6.762 3.286 3.283 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.989 1.422 5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.256 3.577 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.545 2.936 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.115 0.940 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.081 2.126 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.506 1.053 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.024 -0.222 6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.980 1.721 8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.037 1.929 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.908 0.285 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.520 -0.446 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.496 -0.648 8.358 1.00 0.00 H new ATOM 428 N GLU A 30 -8.800 2.107 2.726 1.00 0.00 N ATOM 429 CA GLU A 30 -9.424 1.508 1.559 1.00 0.00 C ATOM 430 C GLU A 30 -8.364 0.878 0.654 1.00 0.00 C ATOM 431 O GLU A 30 -8.551 -0.228 0.149 1.00 0.00 O ATOM 432 CB GLU A 30 -10.256 2.539 0.793 1.00 0.00 C ATOM 433 CG GLU A 30 -10.814 1.941 -0.501 1.00 0.00 C ATOM 434 CD GLU A 30 -12.333 2.106 -0.571 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.782 3.270 -0.493 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.012 1.064 -0.700 1.00 0.00 O ATOM 0 H GLU A 30 -8.859 3.125 2.766 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.099 0.722 1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.076 2.888 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.641 3.408 0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.352 2.428 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.557 0.883 -0.558 1.00 0.00 H new ATOM 443 N CYS A 31 -7.273 1.608 0.477 1.00 0.00 N ATOM 444 CA CYS A 31 -6.182 1.134 -0.358 1.00 0.00 C ATOM 445 C CYS A 31 -5.585 -0.114 0.294 1.00 0.00 C ATOM 446 O CYS A 31 -5.231 -1.070 -0.394 1.00 0.00 O ATOM 447 CB CYS A 31 -5.128 2.221 -0.582 1.00 0.00 C ATOM 448 SG CYS A 31 -3.440 1.596 -0.910 1.00 0.00 S ATOM 0 H CYS A 31 -7.121 2.525 0.898 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.562 0.879 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.440 2.842 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.098 2.865 0.297 1.00 0.00 H new ATOM 453 N ASN A 32 -5.491 -0.065 1.615 1.00 0.00 N ATOM 454 CA ASN A 32 -4.943 -1.180 2.368 1.00 0.00 C ATOM 455 C ASN A 32 -6.033 -2.233 2.579 1.00 0.00 C ATOM 456 O ASN A 32 -5.759 -3.324 3.076 1.00 0.00 O ATOM 457 CB ASN A 32 -4.451 -0.727 3.744 1.00 0.00 C ATOM 458 CG ASN A 32 -4.268 -1.922 4.682 1.00 0.00 C ATOM 459 OD1 ASN A 32 -3.334 -2.698 4.566 1.00 0.00 O ATOM 460 ND2 ASN A 32 -5.211 -2.026 5.615 1.00 0.00 N ATOM 0 H ASN A 32 -5.785 0.730 2.183 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.106 -1.589 1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.506 -0.195 3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.165 -0.026 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.179 -2.791 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.966 -1.341 5.656 1.00 0.00 H new ATOM 467 N ASN A 33 -7.246 -1.868 2.191 1.00 0.00 N ATOM 468 CA ASN A 33 -8.379 -2.767 2.331 1.00 0.00 C ATOM 469 C ASN A 33 -8.562 -3.556 1.034 1.00 0.00 C ATOM 470 O ASN A 33 -8.888 -4.742 1.065 1.00 0.00 O ATOM 471 CB ASN A 33 -9.670 -1.990 2.598 1.00 0.00 C ATOM 472 CG ASN A 33 -10.876 -2.930 2.647 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.768 -4.130 2.460 1.00 0.00 O ATOM 474 ND2 ASN A 33 -12.028 -2.318 2.908 1.00 0.00 N ATOM 0 H ASN A 33 -7.469 -0.962 1.780 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.179 -3.433 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.586 -1.451 3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.818 -1.244 1.817 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.892 -2.858 2.962 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.048 -1.309 3.055 1.00 0.00 H new ATOM 481 N ARG A 34 -8.344 -2.867 -0.077 1.00 0.00 N ATOM 482 CA ARG A 34 -8.481 -3.489 -1.383 1.00 0.00 C ATOM 483 C ARG A 34 -7.501 -4.656 -1.520 1.00 0.00 C ATOM 484 O ARG A 34 -7.713 -5.557 -2.330 1.00 0.00 O ATOM 485 CB ARG A 34 -8.222 -2.479 -2.503 1.00 0.00 C ATOM 486 CG ARG A 34 -9.173 -2.710 -3.679 1.00 0.00 C ATOM 487 CD ARG A 34 -10.618 -2.856 -3.196 1.00 0.00 C ATOM 488 NE ARG A 34 -11.553 -2.408 -4.252 1.00 0.00 N ATOM 489 CZ ARG A 34 -11.737 -3.051 -5.414 1.00 0.00 C ATOM 490 NH1 ARG A 34 -11.052 -4.172 -5.675 1.00 0.00 N ATOM 491 NH2 ARG A 34 -12.606 -2.571 -6.314 1.00 0.00 N ATOM 0 H ARG A 34 -8.073 -1.884 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.503 -3.857 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.349 -1.466 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.190 -2.564 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.102 -1.876 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.875 -3.607 -4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.820 -3.895 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.769 -2.267 -2.291 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.091 -1.557 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.390 -4.537 -4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.192 -4.661 -6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.127 -1.717 -6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.746 -3.060 -7.198 1.00 0.00 H new ATOM 505 N GLY A 35 -6.449 -4.601 -0.717 1.00 0.00 N ATOM 506 CA GLY A 35 -5.436 -5.642 -0.739 1.00 0.00 C ATOM 507 C GLY A 35 -4.086 -5.084 -1.195 1.00 0.00 C ATOM 508 O GLY A 35 -3.646 -5.350 -2.312 1.00 0.00 O ATOM 0 H GLY A 35 -6.276 -3.852 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.336 -6.078 0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.747 -6.443 -1.409 1.00 0.00 H new ATOM 512 N CYS A 36 -3.467 -4.321 -0.306 1.00 0.00 N ATOM 513 CA CYS A 36 -2.176 -3.723 -0.603 1.00 0.00 C ATOM 514 C CYS A 36 -1.821 -2.758 0.530 1.00 0.00 C ATOM 515 O CYS A 36 -2.320 -2.896 1.646 1.00 0.00 O ATOM 516 CB CYS A 36 -2.175 -3.028 -1.966 1.00 0.00 C ATOM 517 SG CYS A 36 -0.825 -3.542 -3.089 1.00 0.00 S ATOM 0 H CYS A 36 -3.835 -4.103 0.620 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.417 -4.503 -0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.129 -3.220 -2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.108 -1.951 -1.809 1.00 0.00 H new ATOM 522 N CYS A 37 -0.963 -1.803 0.204 1.00 0.00 N ATOM 523 CA CYS A 37 -0.535 -0.816 1.181 1.00 0.00 C ATOM 524 C CYS A 37 -0.860 0.575 0.631 1.00 0.00 C ATOM 525 O CYS A 37 -0.876 0.779 -0.582 1.00 0.00 O ATOM 526 CB CYS A 37 0.949 -0.963 1.522 1.00 0.00 C ATOM 527 SG CYS A 37 1.311 -2.125 2.888 1.00 0.00 S ATOM 0 H CYS A 37 -0.552 -1.691 -0.723 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.071 -0.971 2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.481 -1.295 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.346 0.018 1.783 1.00 0.00 H new ATOM 532 N PHE A 38 -1.109 1.496 1.551 1.00 0.00 N ATOM 533 CA PHE A 38 -1.432 2.861 1.173 1.00 0.00 C ATOM 534 C PHE A 38 -0.352 3.833 1.653 1.00 0.00 C ATOM 535 O PHE A 38 0.568 3.440 2.370 1.00 0.00 O ATOM 536 CB PHE A 38 -2.756 3.213 1.855 1.00 0.00 C ATOM 537 CG PHE A 38 -3.161 4.681 1.710 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.816 5.098 0.593 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.865 5.569 2.696 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.191 6.461 0.458 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.240 6.932 2.561 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.895 7.349 1.445 1.00 0.00 C ATOM 0 H PHE A 38 -1.094 1.324 2.556 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.499 2.940 0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.545 2.587 1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.682 2.970 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.051 4.393 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.344 5.238 3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.711 6.793 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.005 7.637 3.345 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.180 8.386 1.342 1.00 0.00 H new ATOM 552 N ASP A 39 -0.498 5.082 1.238 1.00 0.00 N ATOM 553 CA ASP A 39 0.454 6.113 1.616 1.00 0.00 C ATOM 554 C ASP A 39 0.053 7.437 0.962 1.00 0.00 C ATOM 555 O ASP A 39 -0.402 7.456 -0.181 1.00 0.00 O ATOM 556 CB ASP A 39 1.865 5.760 1.142 1.00 0.00 C ATOM 557 CG ASP A 39 2.942 6.788 1.496 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.210 6.934 2.708 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.473 7.403 0.546 1.00 0.00 O ATOM 0 H ASP A 39 -1.262 5.404 0.643 1.00 0.00 H new ATOM 0 HA ASP A 39 0.448 6.195 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.146 4.799 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.847 5.633 0.060 1.00 0.00 H new ATOM 564 N SER A 40 0.236 8.511 1.715 1.00 0.00 N ATOM 565 CA SER A 40 -0.101 9.836 1.222 1.00 0.00 C ATOM 566 C SER A 40 1.017 10.822 1.565 1.00 0.00 C ATOM 567 O SER A 40 0.810 12.034 1.541 1.00 0.00 O ATOM 568 CB SER A 40 -1.431 10.319 1.805 1.00 0.00 C ATOM 569 OG SER A 40 -1.371 10.466 3.221 1.00 0.00 O ATOM 0 H SER A 40 0.613 8.491 2.663 1.00 0.00 H new ATOM 0 HA SER A 40 -0.208 9.780 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.700 11.273 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.218 9.611 1.547 1.00 0.00 H new ATOM 0 HG SER A 40 -2.238 10.777 3.555 1.00 0.00 H new ATOM 575 N ARG A 41 2.179 10.265 1.875 1.00 0.00 N ATOM 576 CA ARG A 41 3.331 11.080 2.222 1.00 0.00 C ATOM 577 C ARG A 41 3.709 11.991 1.052 1.00 0.00 C ATOM 578 O ARG A 41 4.100 13.139 1.255 1.00 0.00 O ATOM 579 CB ARG A 41 4.532 10.208 2.590 1.00 0.00 C ATOM 580 CG ARG A 41 5.353 10.849 3.711 1.00 0.00 C ATOM 581 CD ARG A 41 6.812 11.029 3.287 1.00 0.00 C ATOM 582 NE ARG A 41 7.709 10.749 4.430 1.00 0.00 N ATOM 583 CZ ARG A 41 9.046 10.713 4.345 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.649 10.938 3.170 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.780 10.450 5.435 1.00 0.00 N ATOM 0 H ARG A 41 2.347 9.259 1.893 1.00 0.00 H new ATOM 0 HA ARG A 41 3.060 11.687 3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.188 9.223 2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.161 10.061 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.925 11.816 3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.304 10.226 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.044 10.359 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.972 12.046 2.929 1.00 0.00 H new ATOM 0 HE ARG A 41 7.283 10.572 5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.091 11.137 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.667 10.911 3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.321 10.277 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.798 10.423 5.370 1.00 0.00 H new ATOM 599 N ILE A 42 3.579 11.443 -0.148 1.00 0.00 N ATOM 600 CA ILE A 42 3.902 12.192 -1.351 1.00 0.00 C ATOM 601 C ILE A 42 3.131 11.603 -2.534 1.00 0.00 C ATOM 602 O ILE A 42 3.068 10.386 -2.695 1.00 0.00 O ATOM 603 CB ILE A 42 5.416 12.236 -1.564 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.100 11.045 -0.889 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.997 13.571 -1.095 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.614 9.723 -1.486 1.00 0.00 C ATOM 0 H ILE A 42 3.255 10.490 -0.313 1.00 0.00 H new ATOM 0 HA ILE A 42 3.588 13.231 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 42 5.613 12.157 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.180 11.126 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.895 11.062 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.075 13.576 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.541 14.385 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.790 13.705 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.116 8.893 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.537 9.634 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.843 9.699 -2.551 1.00 0.00 H new ATOM 618 N PRO A 43 2.549 12.520 -3.354 1.00 0.00 N ATOM 619 CA PRO A 43 1.786 12.104 -4.518 1.00 0.00 C ATOM 620 C PRO A 43 2.711 11.635 -5.642 1.00 0.00 C ATOM 621 O PRO A 43 2.390 10.691 -6.362 1.00 0.00 O ATOM 622 CB PRO A 43 0.957 13.320 -4.899 1.00 0.00 C ATOM 623 CG PRO A 43 1.627 14.508 -4.227 1.00 0.00 C ATOM 624 CD PRO A 43 2.603 13.970 -3.195 1.00 0.00 C ATOM 0 HA PRO A 43 1.143 11.247 -4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.927 13.449 -5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.074 13.211 -4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.149 15.119 -4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.883 15.147 -3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.610 14.350 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.317 14.269 -2.186 1.00 0.00 H new ATOM 632 N GLY A 44 3.842 12.317 -5.758 1.00 0.00 N ATOM 633 CA GLY A 44 4.816 11.982 -6.783 1.00 0.00 C ATOM 634 C GLY A 44 4.956 10.465 -6.931 1.00 0.00 C ATOM 635 O GLY A 44 5.182 9.964 -8.032 1.00 0.00 O ATOM 0 H GLY A 44 4.105 13.100 -5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.512 12.417 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.782 12.417 -6.528 1.00 0.00 H new ATOM 639 N VAL A 45 4.815 9.777 -5.808 1.00 0.00 N ATOM 640 CA VAL A 45 4.923 8.328 -5.799 1.00 0.00 C ATOM 641 C VAL A 45 3.521 7.717 -5.758 1.00 0.00 C ATOM 642 O VAL A 45 2.536 8.427 -5.563 1.00 0.00 O ATOM 643 CB VAL A 45 5.807 7.876 -4.635 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.887 8.916 -4.330 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.966 7.578 -3.392 1.00 0.00 C ATOM 0 H VAL A 45 4.627 10.196 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 45 5.405 7.975 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 45 6.306 6.953 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.501 8.570 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.514 9.058 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.416 9.862 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.618 7.259 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.427 8.477 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.252 6.785 -3.617 1.00 0.00 H new ATOM 655 N PRO A 46 3.475 6.371 -5.950 1.00 0.00 N ATOM 656 CA PRO A 46 2.210 5.657 -5.937 1.00 0.00 C ATOM 657 C PRO A 46 1.680 5.506 -4.510 1.00 0.00 C ATOM 658 O PRO A 46 2.011 4.543 -3.819 1.00 0.00 O ATOM 659 CB PRO A 46 2.504 4.324 -6.605 1.00 0.00 C ATOM 660 CG PRO A 46 4.014 4.153 -6.548 1.00 0.00 C ATOM 661 CD PRO A 46 4.621 5.498 -6.184 1.00 0.00 C ATOM 0 HA PRO A 46 1.421 6.189 -6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.999 3.508 -6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.149 4.317 -7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.285 3.399 -5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.396 3.809 -7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.249 5.422 -5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.251 5.879 -6.988 1.00 0.00 H new ATOM 669 N TRP A 47 0.867 6.472 -4.109 1.00 0.00 N ATOM 670 CA TRP A 47 0.288 6.459 -2.777 1.00 0.00 C ATOM 671 C TRP A 47 0.065 5.000 -2.372 1.00 0.00 C ATOM 672 O TRP A 47 0.527 4.567 -1.318 1.00 0.00 O ATOM 673 CB TRP A 47 -0.992 7.295 -2.726 1.00 0.00 C ATOM 674 CG TRP A 47 -0.757 8.774 -2.412 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.323 9.516 -2.693 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.672 9.667 -1.742 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.172 10.816 -2.254 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.080 10.910 -1.658 1.00 0.00 C ATOM 679 CE3 TRP A 47 -2.958 9.431 -1.224 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.699 12.015 -1.062 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.563 10.546 -0.631 1.00 0.00 C ATOM 682 CH2 TRP A 47 -2.981 11.804 -0.539 1.00 0.00 C ATOM 0 H TRP A 47 0.595 7.270 -4.684 1.00 0.00 H new ATOM 0 HA TRP A 47 0.965 6.921 -2.059 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.505 7.215 -3.685 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.658 6.875 -1.972 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.201 9.144 -3.199 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.854 11.569 -2.349 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.441 8.466 -1.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.214 12.979 -1.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.552 10.419 -0.216 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.515 12.615 -0.066 1.00 0.00 H new ATOM 693 N CYS A 48 -0.643 4.283 -3.232 1.00 0.00 N ATOM 694 CA CYS A 48 -0.933 2.882 -2.977 1.00 0.00 C ATOM 695 C CYS A 48 0.133 2.036 -3.678 1.00 0.00 C ATOM 696 O CYS A 48 0.185 1.989 -4.906 1.00 0.00 O ATOM 697 CB CYS A 48 -2.346 2.506 -3.427 1.00 0.00 C ATOM 698 SG CYS A 48 -3.034 1.011 -2.625 1.00 0.00 S ATOM 0 H CYS A 48 -1.024 4.646 -4.106 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.901 2.690 -1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.011 3.346 -3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.340 2.352 -4.506 1.00 0.00 H new ATOM 703 N PHE A 49 0.956 1.389 -2.866 1.00 0.00 N ATOM 704 CA PHE A 49 2.017 0.547 -3.393 1.00 0.00 C ATOM 705 C PHE A 49 2.037 -0.813 -2.693 1.00 0.00 C ATOM 706 O PHE A 49 1.424 -0.982 -1.640 1.00 0.00 O ATOM 707 CB PHE A 49 3.338 1.268 -3.117 1.00 0.00 C ATOM 708 CG PHE A 49 3.458 1.826 -1.697 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.580 0.978 -0.642 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.443 3.170 -1.492 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.692 1.495 0.676 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.555 3.688 -0.174 1.00 0.00 C ATOM 713 CZ PHE A 49 3.677 2.840 0.882 1.00 0.00 C ATOM 0 H PHE A 49 0.910 1.431 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 49 1.861 0.375 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.162 0.577 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.449 2.086 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.592 -0.089 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.346 3.843 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.789 0.821 1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.543 4.756 -0.011 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.762 3.234 1.884 1.00 0.00 H new ATOM 723 N LYS A 50 2.747 -1.748 -3.306 1.00 0.00 N ATOM 724 CA LYS A 50 2.854 -3.088 -2.754 1.00 0.00 C ATOM 725 C LYS A 50 3.583 -3.026 -1.411 1.00 0.00 C ATOM 726 O LYS A 50 4.238 -2.031 -1.101 1.00 0.00 O ATOM 727 CB LYS A 50 3.508 -4.033 -3.765 1.00 0.00 C ATOM 728 CG LYS A 50 2.509 -4.460 -4.843 1.00 0.00 C ATOM 729 CD LYS A 50 2.539 -5.976 -5.048 1.00 0.00 C ATOM 730 CE LYS A 50 2.739 -6.325 -6.524 1.00 0.00 C ATOM 731 NZ LYS A 50 1.723 -7.307 -6.966 1.00 0.00 N ATOM 0 H LYS A 50 3.254 -1.605 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 50 1.864 -3.500 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.361 -3.540 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.891 -4.914 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.505 -4.148 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.744 -3.958 -5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.344 -6.411 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.607 -6.414 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.669 -5.422 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.738 -6.733 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.873 -7.533 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.809 -8.175 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.773 -6.904 -6.840 1.00 0.00 H new ATOM 745 N PRO A 51 3.441 -4.128 -0.628 1.00 0.00 N ATOM 746 CA PRO A 51 4.078 -4.208 0.676 1.00 0.00 C ATOM 747 C PRO A 51 5.581 -4.457 0.537 1.00 0.00 C ATOM 748 O PRO A 51 5.997 -5.462 -0.038 1.00 0.00 O ATOM 749 CB PRO A 51 3.354 -5.331 1.400 1.00 0.00 C ATOM 750 CG PRO A 51 2.659 -6.143 0.319 1.00 0.00 C ATOM 751 CD PRO A 51 2.673 -5.325 -0.961 1.00 0.00 C ATOM 0 HA PRO A 51 4.003 -3.277 1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.054 -5.948 1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.633 -4.934 2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.169 -7.095 0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.635 -6.373 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.136 -5.877 -1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.662 -5.071 -1.280 1.00 0.00 H new ATOM 759 N LEU A 52 6.355 -3.526 1.075 1.00 0.00 N ATOM 760 CA LEU A 52 7.803 -3.632 1.018 1.00 0.00 C ATOM 761 C LEU A 52 8.207 -5.105 1.112 1.00 0.00 C ATOM 762 O LEU A 52 7.842 -5.793 2.065 1.00 0.00 O ATOM 763 CB LEU A 52 8.448 -2.749 2.088 1.00 0.00 C ATOM 764 CG LEU A 52 9.959 -2.907 2.269 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.516 -1.827 3.198 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.308 -4.316 2.753 1.00 0.00 C ATOM 0 H LEU A 52 6.007 -2.695 1.553 1.00 0.00 H new ATOM 0 HA LEU A 52 8.174 -3.259 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.238 -1.707 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.964 -2.957 3.042 1.00 0.00 H new ATOM 0 HG LEU A 52 10.436 -2.773 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.592 -1.962 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.316 -0.843 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.037 -1.905 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.388 -4.402 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.820 -4.504 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.965 -5.047 2.021 1.00 0.00 H new ATOM 778 N GLN A 53 8.954 -5.546 0.111 1.00 0.00 N ATOM 779 CA GLN A 53 9.410 -6.925 0.068 1.00 0.00 C ATOM 780 C GLN A 53 10.421 -7.184 1.188 1.00 0.00 C ATOM 781 O GLN A 53 11.572 -7.527 0.923 1.00 0.00 O ATOM 782 CB GLN A 53 10.008 -7.263 -1.299 1.00 0.00 C ATOM 783 CG GLN A 53 11.404 -6.657 -1.452 1.00 0.00 C ATOM 784 CD GLN A 53 11.525 -5.352 -0.662 1.00 0.00 C ATOM 785 OE1 GLN A 53 12.161 -5.282 0.377 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.882 -4.326 -1.211 1.00 0.00 N ATOM 0 H GLN A 53 9.255 -4.973 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 53 8.550 -7.577 0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.062 -8.345 -1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.356 -6.887 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.153 -7.368 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.609 -6.469 -2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.368 -4.454 -2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.902 -3.411 -0.760 1.00 0.00 H new ATOM 795 N GLU A 54 9.953 -7.010 2.415 1.00 0.00 N ATOM 796 CA GLU A 54 10.801 -7.221 3.576 1.00 0.00 C ATOM 797 C GLU A 54 11.733 -8.412 3.343 1.00 0.00 C ATOM 798 O GLU A 54 11.275 -9.513 3.038 1.00 0.00 O ATOM 799 CB GLU A 54 9.962 -7.420 4.840 1.00 0.00 C ATOM 800 CG GLU A 54 9.339 -8.817 4.870 1.00 0.00 C ATOM 801 CD GLU A 54 10.167 -9.768 5.737 1.00 0.00 C ATOM 802 OE1 GLU A 54 11.354 -9.959 5.395 1.00 0.00 O ATOM 803 OE2 GLU A 54 9.595 -10.281 6.723 1.00 0.00 O ATOM 0 H GLU A 54 8.998 -6.725 2.631 1.00 0.00 H new ATOM 0 HA GLU A 54 11.411 -6.330 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.587 -7.278 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.176 -6.666 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.322 -8.757 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.270 -9.210 3.856 1.00 0.00 H new ATOM 810 N ALA A 55 13.023 -8.153 3.497 1.00 0.00 N ATOM 811 CA ALA A 55 14.023 -9.190 3.307 1.00 0.00 C ATOM 812 C ALA A 55 15.381 -8.678 3.790 1.00 0.00 C ATOM 813 O ALA A 55 15.928 -9.186 4.768 1.00 0.00 O ATOM 814 CB ALA A 55 14.049 -9.612 1.837 1.00 0.00 C ATOM 0 H ALA A 55 13.399 -7.240 3.751 1.00 0.00 H new ATOM 0 HA ALA A 55 13.775 -10.073 3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.799 -10.390 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.070 -9.996 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.297 -8.751 1.216 1.00 0.00 H new ATOM 820 N GLU A 56 15.886 -7.677 3.084 1.00 0.00 N ATOM 821 CA GLU A 56 17.170 -7.091 3.428 1.00 0.00 C ATOM 822 C GLU A 56 17.428 -5.843 2.582 1.00 0.00 C ATOM 823 O GLU A 56 17.947 -5.938 1.471 1.00 0.00 O ATOM 824 CB GLU A 56 18.300 -8.109 3.263 1.00 0.00 C ATOM 825 CG GLU A 56 19.522 -7.712 4.094 1.00 0.00 C ATOM 826 CD GLU A 56 20.225 -6.496 3.489 1.00 0.00 C ATOM 827 OE1 GLU A 56 21.103 -6.719 2.627 1.00 0.00 O ATOM 828 OE2 GLU A 56 19.870 -5.370 3.902 1.00 0.00 O ATOM 0 H GLU A 56 15.429 -7.257 2.275 1.00 0.00 H new ATOM 0 HA GLU A 56 17.143 -6.796 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.953 -9.096 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 56 18.579 -8.181 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.214 -7.488 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 56 20.218 -8.549 4.147 1.00 0.00 H new ATOM 835 N CYS A 57 17.053 -4.701 3.139 1.00 0.00 N ATOM 836 CA CYS A 57 17.237 -3.435 2.449 1.00 0.00 C ATOM 837 C CYS A 57 18.185 -2.568 3.281 1.00 0.00 C ATOM 838 O CYS A 57 19.279 -2.230 2.830 1.00 0.00 O ATOM 839 CB CYS A 57 15.903 -2.733 2.189 1.00 0.00 C ATOM 840 SG CYS A 57 15.642 -2.199 0.459 1.00 0.00 S ATOM 0 H CYS A 57 16.622 -4.626 4.061 1.00 0.00 H new ATOM 0 HA CYS A 57 17.676 -3.614 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.093 -3.405 2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.835 -1.860 2.838 1.00 0.00 H new ATOM 0 HG CYS A 57 14.483 -1.620 0.354 1.00 0.00 H new ATOM 845 N THR A 58 17.732 -2.234 4.480 1.00 0.00 N ATOM 846 CA THR A 58 18.526 -1.413 5.378 1.00 0.00 C ATOM 847 C THR A 58 19.740 -2.197 5.884 1.00 0.00 C ATOM 848 O THR A 58 19.590 -3.247 6.506 1.00 0.00 O ATOM 849 CB THR A 58 17.612 -0.920 6.501 1.00 0.00 C ATOM 850 OG1 THR A 58 16.837 0.109 5.890 1.00 0.00 O ATOM 851 CG2 THR A 58 18.381 -0.198 7.609 1.00 0.00 C ATOM 0 H THR A 58 16.825 -2.517 4.851 1.00 0.00 H new ATOM 0 HA THR A 58 18.931 -0.542 4.863 1.00 0.00 H new ATOM 0 HB THR A 58 17.072 -1.766 6.927 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.215 0.484 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.685 0.131 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.113 -0.877 8.046 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.895 0.668 7.191 1.00 0.00 H new ATOM 859 N PHE A 59 20.915 -1.655 5.597 1.00 0.00 N ATOM 860 CA PHE A 59 22.153 -2.290 6.014 1.00 0.00 C ATOM 861 C PHE A 59 22.089 -3.805 5.810 1.00 0.00 C ATOM 862 O PHE A 59 21.656 -4.537 6.699 1.00 0.00 O ATOM 863 CB PHE A 59 22.326 -1.995 7.506 1.00 0.00 C ATOM 864 CG PHE A 59 23.576 -1.177 7.837 1.00 0.00 C ATOM 865 CD1 PHE A 59 23.796 0.012 7.214 1.00 0.00 C ATOM 866 CD2 PHE A 59 24.467 -1.639 8.755 1.00 0.00 C ATOM 867 CE1 PHE A 59 24.956 0.771 7.522 1.00 0.00 C ATOM 868 CE2 PHE A 59 25.627 -0.880 9.063 1.00 0.00 C ATOM 869 CZ PHE A 59 25.847 0.309 8.440 1.00 0.00 C ATOM 0 H PHE A 59 21.035 -0.783 5.081 1.00 0.00 H new ATOM 0 HA PHE A 59 22.985 -1.906 5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 59 21.448 -1.458 7.864 1.00 0.00 H new ATOM 0 HB3 PHE A 59 22.367 -2.939 8.050 1.00 0.00 H new ATOM 0 HD1 PHE A 59 23.088 0.379 6.485 1.00 0.00 H new ATOM 0 HD2 PHE A 59 24.292 -2.583 9.250 1.00 0.00 H new ATOM 0 HE1 PHE A 59 25.131 1.715 7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 59 26.335 -1.247 9.792 1.00 0.00 H new ATOM 0 HZ PHE A 59 26.729 0.886 8.674 1.00 0.00 H new TER 879 PHE A 59