USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.12) USER MOD Single : A 1 ASN N :NH3+ 152:sc= 0 (180deg=-0.104) USER MOD Single : A 8 TYR OH : rot -15:sc= 0.114 USER MOD Single : A 12 THR OG1 : rot -6:sc= -1.28! USER MOD Single : A 16 SER OG : rot -114:sc= -1.33 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 102:sc= 1.2 USER MOD Single : A 34 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 44:sc= 0.802 USER MOD Single : A 42 ASN : amide:sc= -4.93! C(o=-4.9!,f=-9.2!) USER MOD Single : A 43 HIS : no HD1:sc= -17.5! C(o=-17!,f=-18!) USER MOD Single : A 44 SER OG : rot 42:sc= 0.141 USER MOD Single : A 48 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.4!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00262 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0753 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 81:sc= 0.37 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 15.905 8.894 -10.122 1.00 0.00 N ATOM 2 CA ASN A 1 16.275 8.007 -8.981 1.00 0.00 C ATOM 3 C ASN A 1 15.052 7.741 -8.100 1.00 0.00 C ATOM 4 O ASN A 1 14.854 8.397 -7.096 1.00 0.00 O ATOM 5 CB ASN A 1 17.338 8.783 -8.203 1.00 0.00 C ATOM 6 CG ASN A 1 18.725 8.238 -8.549 1.00 0.00 C ATOM 7 OD1 ASN A 1 19.647 8.994 -8.785 1.00 0.00 O ATOM 8 ND2 ASN A 1 18.913 6.947 -8.591 1.00 0.00 N ATOM 0 H1 ASN A 1 16.738 9.441 -10.421 1.00 0.00 H new ATOM 0 H2 ASN A 1 15.568 8.314 -10.917 1.00 0.00 H new ATOM 0 H3 ASN A 1 15.151 9.546 -9.825 1.00 0.00 H new ATOM 0 HA ASN A 1 16.643 7.037 -9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 1 17.281 9.844 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 1 17.157 8.693 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 1 19.833 6.573 -8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 1 18.139 6.312 -8.393 1.00 0.00 H new ATOM 17 N PRO A 2 14.269 6.781 -8.510 1.00 0.00 N ATOM 18 CA PRO A 2 13.047 6.418 -7.752 1.00 0.00 C ATOM 19 C PRO A 2 13.418 5.677 -6.465 1.00 0.00 C ATOM 20 O PRO A 2 14.105 4.675 -6.489 1.00 0.00 O ATOM 21 CB PRO A 2 12.292 5.500 -8.710 1.00 0.00 C ATOM 22 CG PRO A 2 13.342 4.930 -9.610 1.00 0.00 C ATOM 23 CD PRO A 2 14.445 5.952 -9.707 1.00 0.00 C ATOM 0 HA PRO A 2 12.459 7.283 -7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.766 4.713 -8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.543 6.052 -9.278 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.722 3.990 -9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.929 4.714 -10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.427 5.479 -9.724 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.361 6.544 -10.618 1.00 0.00 H new ATOM 31 N LEU A 3 12.968 6.161 -5.340 1.00 0.00 N ATOM 32 CA LEU A 3 13.294 5.484 -4.053 1.00 0.00 C ATOM 33 C LEU A 3 12.059 4.764 -3.507 1.00 0.00 C ATOM 34 O LEU A 3 11.090 4.553 -4.208 1.00 0.00 O ATOM 35 CB LEU A 3 13.721 6.609 -3.110 1.00 0.00 C ATOM 36 CG LEU A 3 15.188 6.420 -2.719 1.00 0.00 C ATOM 37 CD1 LEU A 3 15.874 7.785 -2.633 1.00 0.00 C ATOM 38 CD2 LEU A 3 15.267 5.723 -1.360 1.00 0.00 C ATOM 0 H LEU A 3 12.389 6.996 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 3 14.074 4.732 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.585 7.576 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.093 6.608 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 3 15.688 5.809 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.919 7.650 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.818 8.282 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.374 8.397 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.312 5.588 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.766 6.333 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.779 4.750 -1.421 1.00 0.00 H new ATOM 50 N ILE A 4 12.085 4.384 -2.259 1.00 0.00 N ATOM 51 CA ILE A 4 10.912 3.677 -1.670 1.00 0.00 C ATOM 52 C ILE A 4 9.823 4.684 -1.294 1.00 0.00 C ATOM 53 O ILE A 4 10.112 5.778 -0.851 1.00 0.00 O ATOM 54 CB ILE A 4 11.456 2.978 -0.418 1.00 0.00 C ATOM 55 CG1 ILE A 4 12.083 1.639 -0.816 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.319 2.731 0.585 1.00 0.00 C ATOM 57 CD1 ILE A 4 10.985 0.666 -1.249 1.00 0.00 C ATOM 0 H ILE A 4 12.867 4.532 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 4 10.463 2.970 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 4 12.209 3.615 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 4 12.794 1.786 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.641 1.223 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.716 2.234 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.874 3.684 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.559 2.100 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.434 -0.286 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.291 0.509 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.447 1.081 -2.101 1.00 0.00 H new ATOM 69 N PRO A 5 8.601 4.266 -1.467 1.00 0.00 N ATOM 70 CA PRO A 5 7.448 5.128 -1.122 1.00 0.00 C ATOM 71 C PRO A 5 7.315 5.232 0.400 1.00 0.00 C ATOM 72 O PRO A 5 8.254 4.994 1.133 1.00 0.00 O ATOM 73 CB PRO A 5 6.255 4.390 -1.727 1.00 0.00 C ATOM 74 CG PRO A 5 6.685 2.961 -1.806 1.00 0.00 C ATOM 75 CD PRO A 5 8.180 2.964 -1.997 1.00 0.00 C ATOM 0 HA PRO A 5 7.539 6.148 -1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.366 4.501 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.006 4.783 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.413 2.425 -0.897 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.191 2.454 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.653 2.142 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.449 2.855 -3.048 1.00 0.00 H new ATOM 83 N ALA A 6 6.157 5.582 0.876 1.00 0.00 N ATOM 84 CA ALA A 6 5.954 5.700 2.341 1.00 0.00 C ATOM 85 C ALA A 6 5.009 4.599 2.830 1.00 0.00 C ATOM 86 O ALA A 6 5.159 4.075 3.915 1.00 0.00 O ATOM 87 CB ALA A 6 5.327 7.080 2.548 1.00 0.00 C ATOM 0 H ALA A 6 5.336 5.793 0.308 1.00 0.00 H new ATOM 0 HA ALA A 6 6.885 5.592 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.146 7.242 3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.005 7.847 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.382 7.135 2.007 1.00 0.00 H new ATOM 93 N ILE A 7 4.037 4.249 2.034 1.00 0.00 N ATOM 94 CA ILE A 7 3.081 3.180 2.446 1.00 0.00 C ATOM 95 C ILE A 7 3.836 1.914 2.862 1.00 0.00 C ATOM 96 O ILE A 7 3.595 1.352 3.912 1.00 0.00 O ATOM 97 CB ILE A 7 2.220 2.910 1.209 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.371 1.653 1.455 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.114 2.707 -0.024 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.956 1.026 0.123 1.00 0.00 C ATOM 0 H ILE A 7 3.862 4.656 1.115 1.00 0.00 H new ATOM 0 HA ILE A 7 2.479 3.482 3.303 1.00 0.00 H new ATOM 0 HB ILE A 7 1.567 3.764 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.938 0.932 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.485 1.912 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.491 2.516 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.710 3.604 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.776 1.857 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.355 0.136 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.371 1.745 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.846 0.750 -0.442 1.00 0.00 H new ATOM 112 N TYR A 8 4.742 1.459 2.045 1.00 0.00 N ATOM 113 CA TYR A 8 5.505 0.228 2.385 1.00 0.00 C ATOM 114 C TYR A 8 6.036 0.324 3.813 1.00 0.00 C ATOM 115 O TYR A 8 6.155 -0.665 4.509 1.00 0.00 O ATOM 116 CB TYR A 8 6.652 0.183 1.374 1.00 0.00 C ATOM 117 CG TYR A 8 6.115 -0.129 -0.010 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.762 -0.459 -0.195 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.978 -0.092 -1.111 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.280 -0.747 -1.476 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.493 -0.381 -2.393 1.00 0.00 C ATOM 122 CZ TYR A 8 5.145 -0.709 -2.575 1.00 0.00 C ATOM 123 OH TYR A 8 4.668 -0.994 -3.838 1.00 0.00 O ATOM 0 H TYR A 8 4.988 1.888 1.153 1.00 0.00 H new ATOM 0 HA TYR A 8 4.893 -0.673 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.175 1.139 1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.378 -0.574 1.670 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.094 -0.490 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.019 0.160 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.239 -0.999 -1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.160 -0.351 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 8 3.792 -1.427 -3.767 1.00 0.00 H new ATOM 133 N ILE A 9 6.343 1.506 4.263 1.00 0.00 N ATOM 134 CA ILE A 9 6.850 1.650 5.655 1.00 0.00 C ATOM 135 C ILE A 9 5.734 1.307 6.638 1.00 0.00 C ATOM 136 O ILE A 9 4.733 1.990 6.723 1.00 0.00 O ATOM 137 CB ILE A 9 7.268 3.114 5.789 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.272 3.460 4.686 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.918 3.337 7.156 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.741 4.906 4.859 1.00 0.00 C ATOM 0 H ILE A 9 6.266 2.374 3.732 1.00 0.00 H new ATOM 0 HA ILE A 9 7.686 0.984 5.868 1.00 0.00 H new ATOM 0 HB ILE A 9 6.389 3.752 5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.124 2.782 4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.812 3.330 3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.216 4.381 7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.205 3.090 7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.797 2.699 7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.456 5.153 4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.884 5.577 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.218 5.020 5.833 1.00 0.00 H new ATOM 152 N GLY A 10 5.892 0.238 7.362 1.00 0.00 N ATOM 153 CA GLY A 10 4.833 -0.172 8.320 1.00 0.00 C ATOM 154 C GLY A 10 3.700 -0.814 7.526 1.00 0.00 C ATOM 155 O GLY A 10 2.551 -0.792 7.922 1.00 0.00 O ATOM 0 H GLY A 10 6.710 -0.371 7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.232 -0.875 9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.467 0.691 8.876 1.00 0.00 H new ATOM 159 N ALA A 11 4.022 -1.379 6.392 1.00 0.00 N ATOM 160 CA ALA A 11 2.963 -2.018 5.550 1.00 0.00 C ATOM 161 C ALA A 11 3.164 -3.535 5.491 1.00 0.00 C ATOM 162 O ALA A 11 3.890 -4.104 6.281 1.00 0.00 O ATOM 163 CB ALA A 11 3.138 -1.402 4.162 1.00 0.00 C ATOM 0 H ALA A 11 4.967 -1.427 6.012 1.00 0.00 H new ATOM 0 HA ALA A 11 1.964 -1.850 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.396 -1.820 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.006 -0.322 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.138 -1.624 3.789 1.00 0.00 H new ATOM 169 N THR A 12 2.525 -4.196 4.561 1.00 0.00 N ATOM 170 CA THR A 12 2.688 -5.679 4.461 1.00 0.00 C ATOM 171 C THR A 12 2.381 -6.147 3.042 1.00 0.00 C ATOM 172 O THR A 12 1.239 -6.243 2.655 1.00 0.00 O ATOM 173 CB THR A 12 1.666 -6.266 5.434 1.00 0.00 C ATOM 174 OG1 THR A 12 2.089 -6.026 6.769 1.00 0.00 O ATOM 175 CG2 THR A 12 1.543 -7.773 5.194 1.00 0.00 C ATOM 0 H THR A 12 1.901 -3.778 3.871 1.00 0.00 H new ATOM 0 HA THR A 12 3.705 -5.992 4.697 1.00 0.00 H new ATOM 0 HB THR A 12 0.697 -5.794 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.984 -5.627 6.762 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.814 -8.194 5.887 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.216 -7.953 4.170 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.511 -8.247 5.354 1.00 0.00 H new ATOM 183 N VAL A 13 3.382 -6.443 2.266 1.00 0.00 N ATOM 184 CA VAL A 13 3.124 -6.904 0.872 1.00 0.00 C ATOM 185 C VAL A 13 3.198 -8.430 0.797 1.00 0.00 C ATOM 186 O VAL A 13 3.368 -9.103 1.794 1.00 0.00 O ATOM 187 CB VAL A 13 4.237 -6.274 0.031 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.374 -4.790 0.379 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.559 -6.986 0.323 1.00 0.00 C ATOM 0 H VAL A 13 4.365 -6.387 2.533 1.00 0.00 H new ATOM 0 HA VAL A 13 2.134 -6.615 0.520 1.00 0.00 H new ATOM 0 HB VAL A 13 3.990 -6.375 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.168 -4.347 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.434 -4.279 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.619 -4.685 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.353 -6.539 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.801 -6.885 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.467 -8.043 0.071 1.00 0.00 H new ATOM 199 N GLY A 14 3.076 -8.980 -0.379 1.00 0.00 N ATOM 200 CA GLY A 14 3.144 -10.461 -0.520 1.00 0.00 C ATOM 201 C GLY A 14 4.566 -10.868 -0.908 1.00 0.00 C ATOM 202 O GLY A 14 5.501 -10.118 -0.714 1.00 0.00 O ATOM 0 H GLY A 14 2.932 -8.467 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.859 -10.940 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.437 -10.798 -1.278 1.00 0.00 H new ATOM 206 N PRO A 15 4.679 -12.051 -1.446 1.00 0.00 N ATOM 207 CA PRO A 15 6.002 -12.572 -1.868 1.00 0.00 C ATOM 208 C PRO A 15 6.458 -11.887 -3.161 1.00 0.00 C ATOM 209 O PRO A 15 7.603 -11.504 -3.301 1.00 0.00 O ATOM 210 CB PRO A 15 5.742 -14.056 -2.105 1.00 0.00 C ATOM 211 CG PRO A 15 4.279 -14.153 -2.408 1.00 0.00 C ATOM 212 CD PRO A 15 3.598 -13.005 -1.707 1.00 0.00 C ATOM 0 HA PRO A 15 6.788 -12.392 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.342 -14.434 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.003 -14.647 -1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.105 -14.104 -3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.878 -15.106 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.819 -12.564 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.121 -13.330 -0.782 1.00 0.00 H new ATOM 220 N SER A 16 5.572 -11.734 -4.106 1.00 0.00 N ATOM 221 CA SER A 16 5.954 -11.080 -5.391 1.00 0.00 C ATOM 222 C SER A 16 6.321 -9.612 -5.155 1.00 0.00 C ATOM 223 O SER A 16 7.385 -9.159 -5.532 1.00 0.00 O ATOM 224 CB SER A 16 4.711 -11.184 -6.273 1.00 0.00 C ATOM 225 OG SER A 16 3.649 -10.451 -5.677 1.00 0.00 O ATOM 0 H SER A 16 4.599 -12.034 -4.045 1.00 0.00 H new ATOM 0 HA SER A 16 6.822 -11.553 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.924 -10.794 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.424 -12.228 -6.395 1.00 0.00 H new ATOM 0 HG SER A 16 2.940 -11.069 -5.401 1.00 0.00 H new ATOM 231 N VAL A 17 5.452 -8.863 -4.534 1.00 0.00 N ATOM 232 CA VAL A 17 5.755 -7.426 -4.279 1.00 0.00 C ATOM 233 C VAL A 17 7.018 -7.302 -3.425 1.00 0.00 C ATOM 234 O VAL A 17 7.919 -6.549 -3.738 1.00 0.00 O ATOM 235 CB VAL A 17 4.539 -6.889 -3.525 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.736 -5.399 -3.234 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.285 -7.079 -4.381 1.00 0.00 C ATOM 0 H VAL A 17 4.546 -9.183 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 17 5.936 -6.870 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 17 4.425 -7.431 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.869 -5.016 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.630 -5.262 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.850 -4.857 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.417 -6.696 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.400 -6.537 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.144 -8.140 -4.590 1.00 0.00 H new ATOM 247 N TRP A 18 7.093 -8.038 -2.351 1.00 0.00 N ATOM 248 CA TRP A 18 8.303 -7.960 -1.485 1.00 0.00 C ATOM 249 C TRP A 18 9.563 -8.075 -2.342 1.00 0.00 C ATOM 250 O TRP A 18 10.385 -7.184 -2.378 1.00 0.00 O ATOM 251 CB TRP A 18 8.195 -9.154 -0.537 1.00 0.00 C ATOM 252 CG TRP A 18 9.294 -9.087 0.473 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.596 -9.355 0.222 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.214 -8.735 1.885 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.321 -9.189 1.389 1.00 0.00 N ATOM 256 CE2 TRP A 18 10.513 -8.808 2.441 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.152 -8.363 2.728 1.00 0.00 C ATOM 258 CZ2 TRP A 18 10.749 -8.523 3.787 1.00 0.00 C ATOM 259 CZ3 TRP A 18 8.386 -8.074 4.082 1.00 0.00 C ATOM 260 CH2 TRP A 18 9.682 -8.154 4.610 1.00 0.00 C ATOM 0 H TRP A 18 6.372 -8.688 -2.036 1.00 0.00 H new ATOM 0 HA TRP A 18 8.363 -7.016 -0.943 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.226 -9.149 -0.037 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.259 -10.086 -1.099 1.00 0.00 H new ATOM 0 HD1 TRP A 18 11.003 -9.650 -0.734 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.328 -9.331 1.463 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.149 -8.299 2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 11.749 -8.587 4.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.563 -7.788 4.720 1.00 0.00 H new ATOM 0 HH2 TRP A 18 9.856 -7.931 5.652 1.00 0.00 H new ATOM 271 N ALA A 19 9.716 -9.168 -3.035 1.00 0.00 N ATOM 272 CA ALA A 19 10.922 -9.346 -3.895 1.00 0.00 C ATOM 273 C ALA A 19 11.180 -8.079 -4.715 1.00 0.00 C ATOM 274 O ALA A 19 12.303 -7.637 -4.858 1.00 0.00 O ATOM 275 CB ALA A 19 10.585 -10.520 -4.814 1.00 0.00 C ATOM 0 H ALA A 19 9.058 -9.948 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 19 11.822 -9.533 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.426 -10.714 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.386 -11.407 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.702 -10.277 -5.406 1.00 0.00 H new ATOM 281 N TYR A 20 10.148 -7.495 -5.253 1.00 0.00 N ATOM 282 CA TYR A 20 10.329 -6.256 -6.065 1.00 0.00 C ATOM 283 C TYR A 20 10.966 -5.155 -5.214 1.00 0.00 C ATOM 284 O TYR A 20 12.079 -4.731 -5.457 1.00 0.00 O ATOM 285 CB TYR A 20 8.916 -5.852 -6.488 1.00 0.00 C ATOM 286 CG TYR A 20 8.985 -4.634 -7.379 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.107 -4.787 -8.765 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.925 -3.353 -6.819 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.169 -3.658 -9.591 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.987 -2.224 -7.644 1.00 0.00 C ATOM 291 CZ TYR A 20 9.109 -2.376 -9.030 1.00 0.00 C ATOM 292 OH TYR A 20 9.171 -1.263 -9.844 1.00 0.00 O ATOM 0 H TYR A 20 9.185 -7.820 -5.167 1.00 0.00 H new ATOM 0 HA TYR A 20 10.983 -6.416 -6.922 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.434 -6.675 -7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.309 -5.638 -5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.153 -5.776 -9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.831 -3.235 -5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.263 -3.776 -10.660 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.941 -1.236 -7.211 1.00 0.00 H new ATOM 0 HH TYR A 20 9.115 -0.453 -9.295 1.00 0.00 H new ATOM 302 N LEU A 21 10.266 -4.690 -4.216 1.00 0.00 N ATOM 303 CA LEU A 21 10.825 -3.617 -3.346 1.00 0.00 C ATOM 304 C LEU A 21 12.295 -3.903 -3.029 1.00 0.00 C ATOM 305 O LEU A 21 13.133 -3.024 -3.077 1.00 0.00 O ATOM 306 CB LEU A 21 9.979 -3.667 -2.074 1.00 0.00 C ATOM 307 CG LEU A 21 10.117 -2.348 -1.313 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.195 -2.365 -0.093 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.566 -2.176 -0.853 1.00 0.00 C ATOM 0 H LEU A 21 9.330 -5.007 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 21 10.792 -2.637 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.934 -3.845 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.300 -4.497 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 21 9.841 -1.520 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.293 -1.425 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.162 -2.490 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.472 -3.192 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.666 -1.236 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.841 -3.004 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.225 -2.166 -1.721 1.00 0.00 H new ATOM 321 N VAL A 22 12.616 -5.126 -2.707 1.00 0.00 N ATOM 322 CA VAL A 22 14.032 -5.467 -2.390 1.00 0.00 C ATOM 323 C VAL A 22 14.942 -5.036 -3.539 1.00 0.00 C ATOM 324 O VAL A 22 15.939 -4.370 -3.341 1.00 0.00 O ATOM 325 CB VAL A 22 14.049 -6.987 -2.231 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.439 -7.439 -1.781 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.015 -7.400 -1.180 1.00 0.00 C ATOM 0 H VAL A 22 11.959 -5.904 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 22 14.390 -4.963 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 22 13.807 -7.454 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.450 -8.523 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.177 -7.144 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.682 -6.972 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.026 -8.484 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.259 -6.932 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.024 -7.079 -1.499 1.00 0.00 H new ATOM 337 N ALA A 23 14.600 -5.406 -4.740 1.00 0.00 N ATOM 338 CA ALA A 23 15.438 -5.014 -5.907 1.00 0.00 C ATOM 339 C ALA A 23 15.667 -3.501 -5.897 1.00 0.00 C ATOM 340 O ALA A 23 16.771 -3.029 -6.085 1.00 0.00 O ATOM 341 CB ALA A 23 14.626 -5.427 -7.136 1.00 0.00 C ATOM 0 H ALA A 23 13.776 -5.963 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 23 16.420 -5.488 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.178 -5.170 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.450 -6.502 -7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.670 -4.903 -7.134 1.00 0.00 H new ATOM 347 N LEU A 24 14.632 -2.739 -5.672 1.00 0.00 N ATOM 348 CA LEU A 24 14.790 -1.259 -5.643 1.00 0.00 C ATOM 349 C LEU A 24 15.811 -0.865 -4.573 1.00 0.00 C ATOM 350 O LEU A 24 16.641 -0.001 -4.778 1.00 0.00 O ATOM 351 CB LEU A 24 13.404 -0.722 -5.287 1.00 0.00 C ATOM 352 CG LEU A 24 13.234 0.682 -5.868 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.175 0.602 -7.394 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.935 1.297 -5.340 1.00 0.00 C ATOM 0 H LEU A 24 13.684 -3.078 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 24 15.149 -0.859 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.634 -1.385 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.280 -0.696 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 24 14.080 1.302 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.054 1.604 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.099 0.164 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.330 -0.018 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.812 2.298 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.091 0.675 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.976 1.356 -4.252 1.00 0.00 H new ATOM 366 N VAL A 25 15.755 -1.497 -3.432 1.00 0.00 N ATOM 367 CA VAL A 25 16.722 -1.167 -2.345 1.00 0.00 C ATOM 368 C VAL A 25 17.445 -2.441 -1.881 1.00 0.00 C ATOM 369 O VAL A 25 18.498 -2.782 -2.383 1.00 0.00 O ATOM 370 CB VAL A 25 15.878 -0.551 -1.213 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.510 -1.238 -1.129 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.606 -0.706 0.123 1.00 0.00 C ATOM 0 H VAL A 25 15.081 -2.228 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 25 17.496 -0.473 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 25 15.731 0.507 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.927 -0.790 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.981 -1.112 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.648 -2.301 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.003 -0.268 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.766 -1.764 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.568 -0.196 0.074 1.00 0.00 H new ATOM 382 N GLY A 26 16.893 -3.147 -0.931 1.00 0.00 N ATOM 383 CA GLY A 26 17.556 -4.389 -0.445 1.00 0.00 C ATOM 384 C GLY A 26 16.809 -4.915 0.781 1.00 0.00 C ATOM 385 O GLY A 26 16.024 -4.214 1.389 1.00 0.00 O ATOM 0 H GLY A 26 16.012 -2.917 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.563 -5.143 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.596 -4.184 -0.191 1.00 0.00 H new ATOM 389 N ALA A 27 17.041 -6.145 1.147 1.00 0.00 N ATOM 390 CA ALA A 27 16.339 -6.714 2.332 1.00 0.00 C ATOM 391 C ALA A 27 16.680 -5.914 3.591 1.00 0.00 C ATOM 392 O ALA A 27 15.986 -5.981 4.586 1.00 0.00 O ATOM 393 CB ALA A 27 16.856 -8.147 2.450 1.00 0.00 C ATOM 0 H ALA A 27 17.686 -6.781 0.677 1.00 0.00 H new ATOM 0 HA ALA A 27 15.255 -6.679 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.384 -8.635 3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.617 -8.696 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 27 17.937 -8.133 2.592 1.00 0.00 H new ATOM 399 N ALA A 28 17.741 -5.154 3.560 1.00 0.00 N ATOM 400 CA ALA A 28 18.115 -4.355 4.756 1.00 0.00 C ATOM 401 C ALA A 28 17.130 -3.204 4.938 1.00 0.00 C ATOM 402 O ALA A 28 16.408 -3.139 5.913 1.00 0.00 O ATOM 403 CB ALA A 28 19.519 -3.826 4.461 1.00 0.00 C ATOM 0 H ALA A 28 18.363 -5.054 2.758 1.00 0.00 H new ATOM 0 HA ALA A 28 18.093 -4.943 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.865 -3.224 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.199 -4.664 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.495 -3.212 3.561 1.00 0.00 H new ATOM 409 N ALA A 29 17.084 -2.298 4.001 1.00 0.00 N ATOM 410 CA ALA A 29 16.129 -1.162 4.124 1.00 0.00 C ATOM 411 C ALA A 29 14.703 -1.709 4.163 1.00 0.00 C ATOM 412 O ALA A 29 13.803 -1.098 4.705 1.00 0.00 O ATOM 413 CB ALA A 29 16.346 -0.314 2.871 1.00 0.00 C ATOM 0 H ALA A 29 17.662 -2.295 3.161 1.00 0.00 H new ATOM 0 HA ALA A 29 16.284 -0.577 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.674 0.544 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.379 0.034 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.140 -0.915 1.985 1.00 0.00 H new ATOM 419 N VAL A 30 14.496 -2.866 3.594 1.00 0.00 N ATOM 420 CA VAL A 30 13.135 -3.463 3.600 1.00 0.00 C ATOM 421 C VAL A 30 12.756 -3.878 5.024 1.00 0.00 C ATOM 422 O VAL A 30 11.607 -3.814 5.414 1.00 0.00 O ATOM 423 CB VAL A 30 13.234 -4.690 2.691 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.009 -5.581 2.899 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.293 -4.237 1.230 1.00 0.00 C ATOM 0 H VAL A 30 15.212 -3.421 3.126 1.00 0.00 H new ATOM 0 HA VAL A 30 12.373 -2.765 3.255 1.00 0.00 H new ATOM 0 HB VAL A 30 14.136 -5.251 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.080 -6.455 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.966 -5.903 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.106 -5.021 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.364 -5.110 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.391 -3.676 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.167 -3.602 1.081 1.00 0.00 H new ATOM 435 N THR A 31 13.715 -4.298 5.807 1.00 0.00 N ATOM 436 CA THR A 31 13.406 -4.710 7.206 1.00 0.00 C ATOM 437 C THR A 31 13.217 -3.473 8.087 1.00 0.00 C ATOM 438 O THR A 31 12.276 -3.378 8.849 1.00 0.00 O ATOM 439 CB THR A 31 14.624 -5.515 7.663 1.00 0.00 C ATOM 440 OG1 THR A 31 14.826 -6.608 6.777 1.00 0.00 O ATOM 441 CG2 THR A 31 14.387 -6.040 9.080 1.00 0.00 C ATOM 0 H THR A 31 14.696 -4.373 5.538 1.00 0.00 H new ATOM 0 HA THR A 31 12.487 -5.293 7.273 1.00 0.00 H new ATOM 0 HB THR A 31 15.507 -4.876 7.658 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.561 -6.400 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.255 -6.614 9.405 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.232 -5.201 9.758 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.505 -6.681 9.088 1.00 0.00 H new ATOM 449 N ALA A 32 14.106 -2.521 7.987 1.00 0.00 N ATOM 450 CA ALA A 32 13.975 -1.290 8.817 1.00 0.00 C ATOM 451 C ALA A 32 12.732 -0.502 8.395 1.00 0.00 C ATOM 452 O ALA A 32 12.245 0.343 9.120 1.00 0.00 O ATOM 453 CB ALA A 32 15.243 -0.484 8.534 1.00 0.00 C ATOM 0 H ALA A 32 14.916 -2.543 7.367 1.00 0.00 H new ATOM 0 HA ALA A 32 13.865 -1.515 9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.222 0.441 9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.117 -1.069 8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.295 -0.248 7.471 1.00 0.00 H new ATOM 459 N ALA A 33 12.215 -0.777 7.229 1.00 0.00 N ATOM 460 CA ALA A 33 11.001 -0.048 6.761 1.00 0.00 C ATOM 461 C ALA A 33 9.739 -0.769 7.239 1.00 0.00 C ATOM 462 O ALA A 33 8.678 -0.631 6.663 1.00 0.00 O ATOM 463 CB ALA A 33 11.089 -0.071 5.234 1.00 0.00 C ATOM 0 H ALA A 33 12.580 -1.474 6.580 1.00 0.00 H new ATOM 0 HA ALA A 33 10.952 0.969 7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.228 0.448 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.005 0.427 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.097 -1.104 4.886 1.00 0.00 H new ATOM 469 N ASN A 34 9.848 -1.538 8.287 1.00 0.00 N ATOM 470 CA ASN A 34 8.659 -2.272 8.811 1.00 0.00 C ATOM 471 C ASN A 34 7.819 -2.834 7.656 1.00 0.00 C ATOM 472 O ASN A 34 6.716 -2.387 7.392 1.00 0.00 O ATOM 473 CB ASN A 34 7.868 -1.235 9.609 1.00 0.00 C ATOM 474 CG ASN A 34 6.785 -1.940 10.429 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.096 -2.806 9.928 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.605 -1.602 11.676 1.00 0.00 N ATOM 0 H ASN A 34 10.713 -1.691 8.806 1.00 0.00 H new ATOM 0 HA ASN A 34 8.943 -3.124 9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.536 -0.681 10.269 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.414 -0.510 8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.885 -2.065 12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.184 -0.875 12.096 1.00 0.00 H new ATOM 483 N ILE A 35 8.334 -3.818 6.973 1.00 0.00 N ATOM 484 CA ILE A 35 7.576 -4.428 5.845 1.00 0.00 C ATOM 485 C ILE A 35 7.308 -5.903 6.148 1.00 0.00 C ATOM 486 O ILE A 35 8.220 -6.674 6.372 1.00 0.00 O ATOM 487 CB ILE A 35 8.488 -4.288 4.626 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.689 -2.805 4.306 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.845 -4.985 3.425 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.424 -2.666 2.972 1.00 0.00 C ATOM 0 H ILE A 35 9.251 -4.228 7.148 1.00 0.00 H new ATOM 0 HA ILE A 35 6.611 -3.948 5.681 1.00 0.00 H new ATOM 0 HB ILE A 35 9.453 -4.748 4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.725 -2.299 4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.261 -2.325 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.495 -4.885 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.701 -6.041 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.880 -4.525 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.567 -1.610 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.394 -3.158 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.835 -3.131 2.182 1.00 0.00 H new ATOM 502 N ARG A 36 6.068 -6.301 6.168 1.00 0.00 N ATOM 503 CA ARG A 36 5.753 -7.726 6.470 1.00 0.00 C ATOM 504 C ARG A 36 5.373 -8.476 5.191 1.00 0.00 C ATOM 505 O ARG A 36 4.813 -7.914 4.270 1.00 0.00 O ATOM 506 CB ARG A 36 4.566 -7.673 7.432 1.00 0.00 C ATOM 507 CG ARG A 36 4.842 -6.638 8.524 1.00 0.00 C ATOM 508 CD ARG A 36 3.693 -6.644 9.535 1.00 0.00 C ATOM 509 NE ARG A 36 3.880 -7.894 10.322 1.00 0.00 N ATOM 510 CZ ARG A 36 3.492 -7.947 11.566 1.00 0.00 C ATOM 511 NH1 ARG A 36 4.224 -7.406 12.502 1.00 0.00 N ATOM 512 NH2 ARG A 36 2.373 -8.541 11.876 1.00 0.00 N ATOM 0 H ARG A 36 5.260 -5.704 5.989 1.00 0.00 H new ATOM 0 HA ARG A 36 6.606 -8.251 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.656 -7.413 6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.402 -8.654 7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.783 -6.865 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.947 -5.647 8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.728 -5.764 10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.725 -6.634 9.033 1.00 0.00 H new ATOM 0 HE ARG A 36 4.312 -8.710 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.099 -6.942 12.260 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.920 -7.448 13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.801 -8.964 11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.070 -8.582 12.849 1.00 0.00 H new ATOM 526 N ARG A 37 5.672 -9.746 5.136 1.00 0.00 N ATOM 527 CA ARG A 37 5.326 -10.543 3.927 1.00 0.00 C ATOM 528 C ARG A 37 3.949 -11.185 4.107 1.00 0.00 C ATOM 529 O ARG A 37 3.503 -11.416 5.213 1.00 0.00 O ATOM 530 CB ARG A 37 6.412 -11.616 3.836 1.00 0.00 C ATOM 531 CG ARG A 37 7.425 -11.229 2.757 1.00 0.00 C ATOM 532 CD ARG A 37 8.007 -12.494 2.123 1.00 0.00 C ATOM 533 NE ARG A 37 9.066 -12.007 1.198 1.00 0.00 N ATOM 534 CZ ARG A 37 10.322 -12.235 1.467 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.837 -11.810 2.588 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.065 -12.887 0.613 1.00 0.00 N ATOM 0 H ARG A 37 6.142 -10.265 5.878 1.00 0.00 H new ATOM 0 HA ARG A 37 5.282 -9.935 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.913 -11.723 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.965 -12.582 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.944 -10.616 1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.223 -10.628 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.420 -13.161 2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.242 -13.055 1.587 1.00 0.00 H new ATOM 0 HE ARG A 37 8.810 -11.495 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.258 -11.299 3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.819 -11.988 2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.663 -13.218 -0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.047 -13.065 0.823 1.00 0.00 H new ATOM 550 N ALA A 38 3.268 -11.471 3.032 1.00 0.00 N ATOM 551 CA ALA A 38 1.919 -12.092 3.155 1.00 0.00 C ATOM 552 C ALA A 38 1.790 -13.278 2.193 1.00 0.00 C ATOM 553 O ALA A 38 2.537 -13.405 1.244 1.00 0.00 O ATOM 554 CB ALA A 38 0.940 -10.979 2.781 1.00 0.00 C ATOM 0 H ALA A 38 3.585 -11.303 2.077 1.00 0.00 H new ATOM 0 HA ALA A 38 1.730 -12.481 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.081 -11.355 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.062 -10.141 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.139 -10.646 1.762 1.00 0.00 H new ATOM 560 N SER A 39 0.851 -14.151 2.440 1.00 0.00 N ATOM 561 CA SER A 39 0.676 -15.335 1.548 1.00 0.00 C ATOM 562 C SER A 39 0.757 -14.917 0.078 1.00 0.00 C ATOM 563 O SER A 39 1.252 -15.646 -0.757 1.00 0.00 O ATOM 564 CB SER A 39 -0.716 -15.874 1.875 1.00 0.00 C ATOM 565 OG SER A 39 -0.625 -16.778 2.969 1.00 0.00 O ATOM 0 H SER A 39 0.197 -14.096 3.221 1.00 0.00 H new ATOM 0 HA SER A 39 1.453 -16.083 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.388 -15.052 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.137 -16.379 1.005 1.00 0.00 H new ATOM 0 HG SER A 39 -1.517 -17.124 3.182 1.00 0.00 H new ATOM 571 N SER A 40 0.271 -13.752 -0.245 1.00 0.00 N ATOM 572 CA SER A 40 0.320 -13.294 -1.663 1.00 0.00 C ATOM 573 C SER A 40 0.067 -11.786 -1.746 1.00 0.00 C ATOM 574 O SER A 40 0.125 -11.082 -0.757 1.00 0.00 O ATOM 575 CB SER A 40 -0.799 -14.062 -2.366 1.00 0.00 C ATOM 576 OG SER A 40 -0.245 -15.180 -3.046 1.00 0.00 O ATOM 0 H SER A 40 -0.158 -13.097 0.409 1.00 0.00 H new ATOM 0 HA SER A 40 1.293 -13.477 -2.120 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.540 -14.394 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.315 -13.411 -3.072 1.00 0.00 H new ATOM 0 HG SER A 40 0.402 -15.630 -2.463 1.00 0.00 H new ATOM 582 N ASP A 41 -0.213 -11.288 -2.918 1.00 0.00 N ATOM 583 CA ASP A 41 -0.470 -9.826 -3.067 1.00 0.00 C ATOM 584 C ASP A 41 -1.731 -9.430 -2.293 1.00 0.00 C ATOM 585 O ASP A 41 -2.016 -8.265 -2.106 1.00 0.00 O ATOM 586 CB ASP A 41 -0.670 -9.609 -4.567 1.00 0.00 C ATOM 587 CG ASP A 41 0.693 -9.527 -5.257 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.692 -9.567 -4.559 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.714 -9.425 -6.473 1.00 0.00 O ATOM 0 H ASP A 41 -0.275 -11.829 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 41 0.347 -9.221 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.254 -10.427 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.233 -8.692 -4.741 1.00 0.00 H new ATOM 594 N ASN A 42 -2.488 -10.393 -1.843 1.00 0.00 N ATOM 595 CA ASN A 42 -3.730 -10.074 -1.083 1.00 0.00 C ATOM 596 C ASN A 42 -3.463 -10.161 0.423 1.00 0.00 C ATOM 597 O ASN A 42 -3.360 -11.233 0.983 1.00 0.00 O ATOM 598 CB ASN A 42 -4.739 -11.140 -1.509 1.00 0.00 C ATOM 599 CG ASN A 42 -6.044 -10.952 -0.732 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.025 -10.623 0.438 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.184 -11.149 -1.336 1.00 0.00 N ATOM 0 H ASN A 42 -2.300 -11.388 -1.969 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.092 -9.066 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.928 -11.069 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.333 -12.134 -1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.059 -11.027 -0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.200 -11.425 -2.318 1.00 0.00 H new ATOM 608 N HIS A 43 -3.345 -9.039 1.082 1.00 0.00 N ATOM 609 CA HIS A 43 -3.084 -9.064 2.549 1.00 0.00 C ATOM 610 C HIS A 43 -3.812 -7.911 3.242 1.00 0.00 C ATOM 611 O HIS A 43 -4.454 -7.096 2.609 1.00 0.00 O ATOM 612 CB HIS A 43 -1.566 -8.905 2.702 1.00 0.00 C ATOM 613 CG HIS A 43 -1.027 -7.939 1.674 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.022 -6.565 1.870 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.446 -8.143 0.448 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.448 -6.002 0.787 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.082 -6.921 -0.111 1.00 0.00 N ATOM 0 H HIS A 43 -3.418 -8.109 0.669 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.442 -9.987 3.005 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.332 -8.546 3.704 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.080 -9.874 2.588 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.294 -9.107 -0.014 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.302 -4.939 0.661 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.368 -6.762 -1.013 1.00 0.00 H new ATOM 625 N SER A 44 -3.711 -7.838 4.540 1.00 0.00 N ATOM 626 CA SER A 44 -4.389 -6.738 5.280 1.00 0.00 C ATOM 627 C SER A 44 -3.601 -5.440 5.109 1.00 0.00 C ATOM 628 O SER A 44 -2.399 -5.406 5.285 1.00 0.00 O ATOM 629 CB SER A 44 -4.379 -7.177 6.743 1.00 0.00 C ATOM 630 OG SER A 44 -3.151 -7.834 7.026 1.00 0.00 O ATOM 0 H SER A 44 -3.188 -8.493 5.121 1.00 0.00 H new ATOM 0 HA SER A 44 -5.401 -6.555 4.919 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.501 -6.312 7.395 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.217 -7.846 6.940 1.00 0.00 H new ATOM 0 HG SER A 44 -2.414 -7.349 6.599 1.00 0.00 H new ATOM 636 N CYS A 45 -4.260 -4.368 4.768 1.00 0.00 N ATOM 637 CA CYS A 45 -3.529 -3.083 4.593 1.00 0.00 C ATOM 638 C CYS A 45 -4.135 -1.996 5.477 1.00 0.00 C ATOM 639 O CYS A 45 -5.149 -2.191 6.128 1.00 0.00 O ATOM 640 CB CYS A 45 -3.677 -2.721 3.116 1.00 0.00 C ATOM 641 SG CYS A 45 -5.396 -2.946 2.598 1.00 0.00 S ATOM 0 H CYS A 45 -5.266 -4.326 4.604 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.481 -3.174 4.880 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.371 -1.688 2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.021 -3.347 2.511 1.00 0.00 H new ATOM 646 N ALA A 46 -3.513 -0.854 5.510 1.00 0.00 N ATOM 647 CA ALA A 46 -4.033 0.252 6.360 1.00 0.00 C ATOM 648 C ALA A 46 -4.296 -0.279 7.770 1.00 0.00 C ATOM 649 O ALA A 46 -5.270 0.072 8.407 1.00 0.00 O ATOM 650 CB ALA A 46 -5.338 0.690 5.694 1.00 0.00 C ATOM 0 H ALA A 46 -2.666 -0.637 4.985 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.334 1.083 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.782 1.505 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.133 1.028 4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.031 -0.151 5.663 1.00 0.00 H new ATOM 656 N GLY A 47 -3.437 -1.135 8.254 1.00 0.00 N ATOM 657 CA GLY A 47 -3.640 -1.707 9.614 1.00 0.00 C ATOM 658 C GLY A 47 -4.902 -2.567 9.599 1.00 0.00 C ATOM 659 O GLY A 47 -5.257 -3.141 8.589 1.00 0.00 O ATOM 0 H GLY A 47 -2.604 -1.462 7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.777 -2.307 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.735 -0.908 10.350 1.00 0.00 H new ATOM 663 N ASN A 48 -5.591 -2.656 10.701 1.00 0.00 N ATOM 664 CA ASN A 48 -6.834 -3.469 10.730 1.00 0.00 C ATOM 665 C ASN A 48 -8.014 -2.626 10.238 1.00 0.00 C ATOM 666 O ASN A 48 -9.096 -2.674 10.789 1.00 0.00 O ATOM 667 CB ASN A 48 -7.023 -3.856 12.197 1.00 0.00 C ATOM 668 CG ASN A 48 -7.355 -5.347 12.292 1.00 0.00 C ATOM 669 OD1 ASN A 48 -7.860 -5.929 11.353 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.092 -5.993 13.395 1.00 0.00 N ATOM 0 H ASN A 48 -5.347 -2.201 11.581 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.774 -4.347 10.087 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.117 -3.638 12.762 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.825 -3.265 12.640 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.310 -6.987 13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.668 -5.504 14.184 1.00 0.00 H new ATOM 677 N ARG A 49 -7.807 -1.841 9.213 1.00 0.00 N ATOM 678 CA ARG A 49 -8.905 -0.984 8.697 1.00 0.00 C ATOM 679 C ARG A 49 -9.324 -1.423 7.291 1.00 0.00 C ATOM 680 O ARG A 49 -10.488 -1.383 6.945 1.00 0.00 O ATOM 681 CB ARG A 49 -8.308 0.421 8.664 1.00 0.00 C ATOM 682 CG ARG A 49 -8.149 0.943 10.094 1.00 0.00 C ATOM 683 CD ARG A 49 -9.022 2.185 10.287 1.00 0.00 C ATOM 684 NE ARG A 49 -9.028 2.424 11.757 1.00 0.00 N ATOM 685 CZ ARG A 49 -9.470 3.555 12.234 1.00 0.00 C ATOM 686 NH1 ARG A 49 -8.659 4.572 12.359 1.00 0.00 N ATOM 687 NH2 ARG A 49 -10.720 3.671 12.587 1.00 0.00 N ATOM 0 H ARG A 49 -6.922 -1.759 8.713 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.800 -1.043 9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.341 0.405 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.953 1.088 8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.435 0.171 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.105 1.186 10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.615 3.041 9.749 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.031 2.021 9.909 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.686 1.702 12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.681 4.481 12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.004 5.457 12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.353 2.877 12.490 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.065 4.556 12.960 1.00 0.00 H new ATOM 701 N GLY A 50 -8.392 -1.830 6.474 1.00 0.00 N ATOM 702 CA GLY A 50 -8.766 -2.254 5.093 1.00 0.00 C ATOM 703 C GLY A 50 -8.134 -3.609 4.769 1.00 0.00 C ATOM 704 O GLY A 50 -7.347 -4.140 5.528 1.00 0.00 O ATOM 0 H GLY A 50 -7.399 -1.888 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.851 -2.320 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.433 -1.507 4.372 1.00 0.00 H new ATOM 708 N TRP A 51 -8.476 -4.171 3.641 1.00 0.00 N ATOM 709 CA TRP A 51 -7.904 -5.491 3.252 1.00 0.00 C ATOM 710 C TRP A 51 -7.597 -5.485 1.753 1.00 0.00 C ATOM 711 O TRP A 51 -7.954 -4.563 1.047 1.00 0.00 O ATOM 712 CB TRP A 51 -9.005 -6.503 3.569 1.00 0.00 C ATOM 713 CG TRP A 51 -8.705 -7.199 4.858 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.406 -7.043 6.005 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.646 -8.155 5.152 1.00 0.00 C ATOM 716 NE1 TRP A 51 -8.845 -7.844 6.984 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.758 -8.549 6.507 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.610 -8.714 4.383 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -6.874 -9.465 7.078 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.718 -9.635 4.955 1.00 0.00 C ATOM 721 CH2 TRP A 51 -5.850 -10.011 6.299 1.00 0.00 C ATOM 0 H TRP A 51 -9.130 -3.770 2.969 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.977 -5.724 3.776 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.968 -5.996 3.635 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.083 -7.232 2.762 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.263 -6.399 6.135 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.192 -7.906 7.941 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.500 -8.433 3.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -6.980 -9.750 8.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.925 -10.057 4.356 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.161 -10.722 6.732 1.00 0.00 H new ATOM 732 N CYS A 52 -6.933 -6.491 1.253 1.00 0.00 N ATOM 733 CA CYS A 52 -6.613 -6.503 -0.203 1.00 0.00 C ATOM 734 C CYS A 52 -7.484 -7.512 -0.955 1.00 0.00 C ATOM 735 O CYS A 52 -7.456 -8.698 -0.689 1.00 0.00 O ATOM 736 CB CYS A 52 -5.148 -6.914 -0.279 1.00 0.00 C ATOM 737 SG CYS A 52 -4.451 -6.366 -1.854 1.00 0.00 S ATOM 0 H CYS A 52 -6.601 -7.297 1.783 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.800 -5.532 -0.662 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.592 -6.475 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.057 -7.996 -0.186 1.00 0.00 H new ATOM 742 N ARG A 53 -8.242 -7.046 -1.908 1.00 0.00 N ATOM 743 CA ARG A 53 -9.106 -7.958 -2.710 1.00 0.00 C ATOM 744 C ARG A 53 -8.932 -7.629 -4.193 1.00 0.00 C ATOM 745 O ARG A 53 -8.574 -6.522 -4.546 1.00 0.00 O ATOM 746 CB ARG A 53 -10.542 -7.652 -2.276 1.00 0.00 C ATOM 747 CG ARG A 53 -10.660 -7.695 -0.753 1.00 0.00 C ATOM 748 CD ARG A 53 -11.265 -6.379 -0.265 1.00 0.00 C ATOM 749 NE ARG A 53 -11.200 -6.450 1.219 1.00 0.00 N ATOM 750 CZ ARG A 53 -12.293 -6.620 1.912 1.00 0.00 C ATOM 751 NH1 ARG A 53 -13.090 -5.611 2.131 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.588 -7.800 2.385 1.00 0.00 N ATOM 0 H ARG A 53 -8.301 -6.062 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.856 -9.008 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.837 -6.669 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.225 -8.376 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.286 -8.534 -0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.679 -7.848 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.706 -5.524 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.293 -6.266 -0.610 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.302 -6.366 1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.859 -4.689 1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.944 -5.744 2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.965 -8.589 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.442 -7.933 2.927 1.00 0.00 H new ATOM 766 N SER A 54 -9.198 -8.555 -5.071 1.00 0.00 N ATOM 767 CA SER A 54 -9.056 -8.238 -6.518 1.00 0.00 C ATOM 768 C SER A 54 -9.773 -6.918 -6.783 1.00 0.00 C ATOM 769 O SER A 54 -9.235 -6.001 -7.368 1.00 0.00 O ATOM 770 CB SER A 54 -9.740 -9.390 -7.254 1.00 0.00 C ATOM 771 OG SER A 54 -10.574 -8.864 -8.278 1.00 0.00 O ATOM 0 H SER A 54 -9.503 -9.504 -4.854 1.00 0.00 H new ATOM 0 HA SER A 54 -8.021 -8.134 -6.842 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.993 -10.057 -7.684 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.331 -9.983 -6.556 1.00 0.00 H new ATOM 0 HG SER A 54 -11.013 -9.600 -8.753 1.00 0.00 H new ATOM 777 N LYS A 55 -10.988 -6.827 -6.330 1.00 0.00 N ATOM 778 CA LYS A 55 -11.779 -5.590 -6.508 1.00 0.00 C ATOM 779 C LYS A 55 -12.437 -5.194 -5.190 1.00 0.00 C ATOM 780 O LYS A 55 -12.295 -5.861 -4.184 1.00 0.00 O ATOM 781 CB LYS A 55 -12.840 -5.953 -7.536 1.00 0.00 C ATOM 782 CG LYS A 55 -12.309 -5.571 -8.897 1.00 0.00 C ATOM 783 CD LYS A 55 -13.220 -4.521 -9.535 1.00 0.00 C ATOM 784 CE LYS A 55 -12.368 -3.479 -10.264 1.00 0.00 C ATOM 785 NZ LYS A 55 -12.055 -4.095 -11.583 1.00 0.00 N ATOM 0 H LYS A 55 -11.473 -7.575 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.165 -4.748 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.061 -7.020 -7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.771 -5.426 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.296 -5.179 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.253 -6.453 -9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.907 -4.997 -10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.828 -4.038 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.909 -2.541 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.458 -3.253 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.472 -3.440 -12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.534 -4.983 -11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.940 -4.293 -12.093 1.00 0.00 H new ATOM 799 N CYS A 56 -13.165 -4.119 -5.195 1.00 0.00 N ATOM 800 CA CYS A 56 -13.849 -3.681 -3.941 1.00 0.00 C ATOM 801 C CYS A 56 -15.339 -3.458 -4.214 1.00 0.00 C ATOM 802 O CYS A 56 -15.751 -3.283 -5.343 1.00 0.00 O ATOM 803 CB CYS A 56 -13.173 -2.368 -3.527 1.00 0.00 C ATOM 804 SG CYS A 56 -11.380 -2.476 -3.786 1.00 0.00 S ATOM 0 H CYS A 56 -13.320 -3.522 -6.008 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.770 -4.429 -3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.582 -1.541 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.384 -2.157 -2.479 1.00 0.00 H new ATOM 809 N PHE A 57 -16.152 -3.467 -3.192 1.00 0.00 N ATOM 810 CA PHE A 57 -17.614 -3.260 -3.404 1.00 0.00 C ATOM 811 C PHE A 57 -17.923 -1.771 -3.574 1.00 0.00 C ATOM 812 O PHE A 57 -17.039 -0.938 -3.580 1.00 0.00 O ATOM 813 CB PHE A 57 -18.284 -3.795 -2.139 1.00 0.00 C ATOM 814 CG PHE A 57 -18.372 -5.300 -2.211 1.00 0.00 C ATOM 815 CD1 PHE A 57 -18.988 -5.912 -3.309 1.00 0.00 C ATOM 816 CD2 PHE A 57 -17.839 -6.084 -1.181 1.00 0.00 C ATOM 817 CE1 PHE A 57 -19.071 -7.309 -3.377 1.00 0.00 C ATOM 818 CE2 PHE A 57 -17.922 -7.479 -1.248 1.00 0.00 C ATOM 819 CZ PHE A 57 -18.538 -8.092 -2.347 1.00 0.00 C ATOM 0 H PHE A 57 -15.868 -3.608 -2.222 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.969 -3.766 -4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.715 -3.496 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.281 -3.367 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -19.399 -5.307 -4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.363 -5.612 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.546 -7.781 -4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.511 -8.083 -0.453 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.601 -9.169 -2.399 1.00 0.00 H new ATOM 829 N ARG A 58 -19.175 -1.434 -3.708 1.00 0.00 N ATOM 830 CA ARG A 58 -19.549 -0.005 -3.871 1.00 0.00 C ATOM 831 C ARG A 58 -19.542 0.692 -2.513 1.00 0.00 C ATOM 832 O ARG A 58 -19.116 1.821 -2.384 1.00 0.00 O ATOM 833 CB ARG A 58 -20.960 -0.027 -4.463 1.00 0.00 C ATOM 834 CG ARG A 58 -21.148 1.184 -5.380 1.00 0.00 C ATOM 835 CD ARG A 58 -22.532 1.120 -6.030 1.00 0.00 C ATOM 836 NE ARG A 58 -23.171 2.423 -5.703 1.00 0.00 N ATOM 837 CZ ARG A 58 -23.345 3.319 -6.636 1.00 0.00 C ATOM 838 NH1 ARG A 58 -22.489 3.411 -7.618 1.00 0.00 N ATOM 839 NH2 ARG A 58 -24.373 4.121 -6.589 1.00 0.00 N ATOM 0 H ARG A 58 -19.956 -2.090 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.853 0.538 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.116 -0.949 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.701 -0.010 -3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.045 2.106 -4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.374 1.197 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.456 0.977 -7.108 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -23.114 0.286 -5.638 1.00 0.00 H new ATOM 0 HE ARG A 58 -23.474 2.616 -4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.686 2.783 -7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -22.624 4.111 -8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -25.042 4.048 -5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -24.508 4.821 -7.319 1.00 0.00 H new ATOM 853 N HIS A 59 -20.002 0.019 -1.494 1.00 0.00 N ATOM 854 CA HIS A 59 -20.008 0.638 -0.141 1.00 0.00 C ATOM 855 C HIS A 59 -18.573 0.970 0.277 1.00 0.00 C ATOM 856 O HIS A 59 -18.344 1.683 1.233 1.00 0.00 O ATOM 857 CB HIS A 59 -20.603 -0.430 0.778 1.00 0.00 C ATOM 858 CG HIS A 59 -21.840 0.109 1.442 1.00 0.00 C ATOM 859 ND1 HIS A 59 -21.858 0.485 2.776 1.00 0.00 N ATOM 860 CD2 HIS A 59 -23.109 0.338 0.970 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.101 0.918 3.057 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.904 0.849 1.992 1.00 0.00 N ATOM 0 H HIS A 59 -20.373 -0.930 -1.541 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.579 1.566 -0.104 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.846 -1.324 0.204 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.872 -0.724 1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -23.440 0.150 -0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.412 1.278 4.027 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.888 1.114 1.939 1.00 0.00 H new ATOM 870 N GLU A 60 -17.606 0.453 -0.435 1.00 0.00 N ATOM 871 CA GLU A 60 -16.191 0.732 -0.084 1.00 0.00 C ATOM 872 C GLU A 60 -15.459 1.319 -1.294 1.00 0.00 C ATOM 873 O GLU A 60 -16.068 1.737 -2.258 1.00 0.00 O ATOM 874 CB GLU A 60 -15.613 -0.635 0.274 1.00 0.00 C ATOM 875 CG GLU A 60 -16.030 -1.013 1.695 1.00 0.00 C ATOM 876 CD GLU A 60 -14.821 -1.564 2.453 1.00 0.00 C ATOM 877 OE1 GLU A 60 -13.819 -1.835 1.812 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.917 -1.705 3.661 1.00 0.00 O ATOM 0 H GLU A 60 -17.740 -0.151 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.092 1.451 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.967 -1.387 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.526 -0.613 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.430 -0.141 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.825 -1.758 1.666 1.00 0.00 H new ATOM 885 N TYR A 61 -14.157 1.337 -1.254 1.00 0.00 N ATOM 886 CA TYR A 61 -13.382 1.882 -2.404 1.00 0.00 C ATOM 887 C TYR A 61 -11.986 1.272 -2.418 1.00 0.00 C ATOM 888 O TYR A 61 -11.729 0.269 -1.787 1.00 0.00 O ATOM 889 CB TYR A 61 -13.292 3.392 -2.173 1.00 0.00 C ATOM 890 CG TYR A 61 -12.355 3.683 -1.019 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.653 3.198 0.259 1.00 0.00 C ATOM 892 CD2 TYR A 61 -11.194 4.443 -1.224 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.796 3.468 1.332 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.338 4.714 -0.148 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.639 4.226 1.128 1.00 0.00 C ATOM 896 OH TYR A 61 -9.795 4.493 2.187 1.00 0.00 O ATOM 0 H TYR A 61 -13.594 0.998 -0.474 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.857 1.652 -3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.934 3.886 -3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.282 3.796 -1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.547 2.613 0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.960 4.819 -2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.028 3.091 2.317 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.445 5.300 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.038 5.030 1.874 1.00 0.00 H new ATOM 906 N VAL A 62 -11.086 1.882 -3.124 1.00 0.00 N ATOM 907 CA VAL A 62 -9.695 1.358 -3.177 1.00 0.00 C ATOM 908 C VAL A 62 -8.739 2.420 -2.642 1.00 0.00 C ATOM 909 O VAL A 62 -8.334 3.305 -3.364 1.00 0.00 O ATOM 910 CB VAL A 62 -9.425 1.095 -4.660 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.954 0.724 -4.856 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.308 -0.055 -5.144 1.00 0.00 C ATOM 0 H VAL A 62 -11.251 2.727 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.559 0.457 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.652 1.994 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.764 0.537 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.323 1.544 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.726 -0.174 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.115 -0.242 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.083 -0.953 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.357 0.209 -5.008 1.00 0.00 H new ATOM 922 N ASP A 63 -8.381 2.351 -1.385 1.00 0.00 N ATOM 923 CA ASP A 63 -7.455 3.380 -0.833 1.00 0.00 C ATOM 924 C ASP A 63 -6.210 3.463 -1.712 1.00 0.00 C ATOM 925 O ASP A 63 -5.235 2.768 -1.502 1.00 0.00 O ATOM 926 CB ASP A 63 -7.104 2.915 0.581 1.00 0.00 C ATOM 927 CG ASP A 63 -6.862 1.409 0.590 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.897 0.980 -0.020 1.00 0.00 O ATOM 929 OD2 ASP A 63 -7.647 0.707 1.207 1.00 0.00 O ATOM 0 H ASP A 63 -8.686 1.635 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.903 4.373 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.214 3.437 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.913 3.166 1.267 1.00 0.00 H new ATOM 934 N THR A 64 -6.248 4.306 -2.704 1.00 0.00 N ATOM 935 CA THR A 64 -5.079 4.441 -3.623 1.00 0.00 C ATOM 936 C THR A 64 -3.771 4.484 -2.829 1.00 0.00 C ATOM 937 O THR A 64 -2.714 4.168 -3.339 1.00 0.00 O ATOM 938 CB THR A 64 -5.303 5.764 -4.356 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.147 6.600 -3.575 1.00 0.00 O ATOM 940 CG2 THR A 64 -5.958 5.495 -5.711 1.00 0.00 C ATOM 0 H THR A 64 -7.040 4.911 -2.921 1.00 0.00 H new ATOM 0 HA THR A 64 -5.000 3.598 -4.310 1.00 0.00 H new ATOM 0 HB THR A 64 -4.345 6.260 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.290 7.449 -4.043 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.117 6.439 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.308 4.856 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.916 4.998 -5.560 1.00 0.00 H new ATOM 948 N TYR A 65 -3.829 4.881 -1.589 1.00 0.00 N ATOM 949 CA TYR A 65 -2.586 4.954 -0.770 1.00 0.00 C ATOM 950 C TYR A 65 -2.008 3.559 -0.517 1.00 0.00 C ATOM 951 O TYR A 65 -0.834 3.322 -0.719 1.00 0.00 O ATOM 952 CB TYR A 65 -3.020 5.586 0.551 1.00 0.00 C ATOM 953 CG TYR A 65 -1.804 6.112 1.275 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.961 7.036 0.647 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.516 5.670 2.573 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.170 7.520 1.317 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.386 6.155 3.242 1.00 0.00 C ATOM 958 CZ TYR A 65 0.457 7.080 2.614 1.00 0.00 C ATOM 959 OH TYR A 65 1.571 7.556 3.274 1.00 0.00 O ATOM 0 H TYR A 65 -4.684 5.158 -1.106 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.808 5.528 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.726 6.396 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.535 4.850 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.182 7.376 -0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.165 4.956 3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.821 8.233 0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.164 5.816 4.243 1.00 0.00 H new ATOM 0 HH TYR A 65 1.622 7.150 4.164 1.00 0.00 H new ATOM 969 N TYR A 66 -2.811 2.641 -0.052 1.00 0.00 N ATOM 970 CA TYR A 66 -2.284 1.273 0.240 1.00 0.00 C ATOM 971 C TYR A 66 -2.318 0.374 -1.003 1.00 0.00 C ATOM 972 O TYR A 66 -1.820 -0.739 -0.990 1.00 0.00 O ATOM 973 CB TYR A 66 -3.187 0.729 1.343 1.00 0.00 C ATOM 974 CG TYR A 66 -2.577 1.069 2.682 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.486 0.334 3.162 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.095 2.127 3.439 1.00 0.00 C ATOM 977 CE1 TYR A 66 -0.915 0.655 4.399 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.523 2.448 4.676 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.433 1.713 5.156 1.00 0.00 C ATOM 980 OH TYR A 66 -0.868 2.030 6.374 1.00 0.00 O ATOM 0 H TYR A 66 -3.804 2.776 0.138 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.238 1.302 0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.184 1.161 1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.298 -0.351 1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.085 -0.481 2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.936 2.695 3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.075 0.087 4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.923 3.263 5.260 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.346 2.789 6.769 1.00 0.00 H new ATOM 990 N SER A 67 -2.880 0.843 -2.082 1.00 0.00 N ATOM 991 CA SER A 67 -2.913 0.007 -3.319 1.00 0.00 C ATOM 992 C SER A 67 -1.490 -0.432 -3.680 1.00 0.00 C ATOM 993 O SER A 67 -1.285 -1.361 -4.435 1.00 0.00 O ATOM 994 CB SER A 67 -3.480 0.925 -4.401 1.00 0.00 C ATOM 995 OG SER A 67 -3.495 0.234 -5.642 1.00 0.00 O ATOM 0 H SER A 67 -3.315 1.762 -2.163 1.00 0.00 H new ATOM 0 HA SER A 67 -3.512 -0.896 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.489 1.240 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.875 1.828 -4.482 1.00 0.00 H new ATOM 0 HG SER A 67 -3.860 0.820 -6.338 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.504 0.242 -3.145 1.00 0.00 N ATOM 1002 CA ALA A 68 0.913 -0.116 -3.452 1.00 0.00 C ATOM 1003 C ALA A 68 1.289 -1.465 -2.826 1.00 0.00 C ATOM 1004 O ALA A 68 1.793 -2.345 -3.494 1.00 0.00 O ATOM 1005 CB ALA A 68 1.743 1.010 -2.836 1.00 0.00 C ATOM 0 H ALA A 68 -0.621 1.028 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 68 1.082 -0.218 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.801 0.823 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.460 1.960 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.561 1.051 -1.762 1.00 0.00 H new ATOM 1011 N VAL A 69 1.053 -1.640 -1.552 1.00 0.00 N ATOM 1012 CA VAL A 69 1.408 -2.937 -0.907 1.00 0.00 C ATOM 1013 C VAL A 69 0.523 -4.044 -1.473 1.00 0.00 C ATOM 1014 O VAL A 69 0.901 -5.198 -1.510 1.00 0.00 O ATOM 1015 CB VAL A 69 1.162 -2.742 0.596 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.331 -2.607 0.878 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.710 -3.943 1.364 1.00 0.00 C ATOM 0 H VAL A 69 0.633 -0.946 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 69 2.443 -3.224 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 69 1.669 -1.832 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.488 -2.469 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.727 -1.746 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.847 -3.509 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.535 -3.803 2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.206 -4.850 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.781 -4.034 1.181 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.650 -3.699 -1.929 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.550 -4.735 -2.508 1.00 0.00 C ATOM 1029 C CYS A 70 -0.928 -5.311 -3.783 1.00 0.00 C ATOM 1030 O CYS A 70 -0.914 -6.508 -3.993 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.849 -4.000 -2.825 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.080 -4.403 -1.565 1.00 0.00 S ATOM 0 H CYS A 70 -1.022 -2.749 -1.926 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.716 -5.571 -1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.676 -2.924 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.213 -4.288 -3.811 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.405 -4.468 -4.632 1.00 0.00 N ATOM 1038 CA GLY A 71 0.223 -4.965 -5.889 1.00 0.00 C ATOM 1039 C GLY A 71 -0.861 -5.290 -6.918 1.00 0.00 C ATOM 1040 O GLY A 71 -1.717 -4.480 -7.210 1.00 0.00 O ATOM 0 H GLY A 71 -0.386 -3.456 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.903 -4.212 -6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.818 -5.854 -5.682 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.827 -6.471 -7.472 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.852 -6.851 -8.486 1.00 0.00 C ATOM 1046 C ARG A 72 -3.259 -6.621 -7.931 1.00 0.00 C ATOM 1047 O ARG A 72 -4.171 -6.266 -8.651 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.612 -8.338 -8.748 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.213 -8.536 -9.334 1.00 0.00 C ATOM 1050 CD ARG A 72 0.084 -10.033 -9.447 1.00 0.00 C ATOM 1051 NE ARG A 72 0.284 -10.277 -10.902 1.00 0.00 N ATOM 1052 CZ ARG A 72 0.617 -11.467 -11.325 1.00 0.00 C ATOM 1053 NH1 ARG A 72 0.300 -12.520 -10.625 1.00 0.00 N ATOM 1054 NH2 ARG A 72 1.265 -11.602 -12.449 1.00 0.00 N ATOM 0 H ARG A 72 -0.133 -7.190 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.773 -6.258 -9.397 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.712 -8.902 -7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.364 -8.722 -9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.148 -8.066 -10.315 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.531 -8.053 -8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.972 -10.303 -8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.740 -10.630 -9.056 1.00 0.00 H new ATOM 0 HE ARG A 72 0.161 -9.515 -11.569 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.208 -12.415 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.560 -13.449 -10.955 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.512 -10.778 -12.998 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.525 -12.531 -12.779 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.444 -6.820 -6.656 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.795 -6.612 -6.058 1.00 0.00 C ATOM 1070 C TYR A 73 -4.955 -5.155 -5.621 1.00 0.00 C ATOM 1071 O TYR A 73 -4.096 -4.328 -5.853 1.00 0.00 O ATOM 1072 CB TYR A 73 -4.842 -7.540 -4.844 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.178 -8.946 -5.286 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -4.875 -9.366 -6.588 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -5.792 -9.830 -4.391 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -5.186 -10.670 -6.992 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -6.103 -11.134 -4.796 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.800 -11.554 -6.096 1.00 0.00 C ATOM 1079 OH TYR A 73 -6.106 -12.839 -6.495 1.00 0.00 O ATOM 0 H TYR A 73 -2.720 -7.117 -6.002 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.597 -6.827 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.881 -7.531 -4.330 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.587 -7.185 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.402 -8.684 -7.279 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.026 -9.506 -3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.952 -10.994 -7.995 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.577 -11.816 -4.105 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.527 -13.321 -5.752 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.045 -4.838 -4.980 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.256 -3.437 -4.519 1.00 0.00 C ATOM 1091 C PHE A 74 -6.657 -3.428 -3.048 1.00 0.00 C ATOM 1092 O PHE A 74 -7.485 -4.204 -2.617 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.401 -2.894 -5.371 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.049 -3.007 -6.830 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -5.811 -2.549 -7.292 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -7.967 -3.569 -7.721 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -5.492 -2.654 -8.650 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.650 -3.674 -9.080 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.411 -3.216 -9.545 1.00 0.00 C ATOM 0 H PHE A 74 -6.799 -5.488 -4.755 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.352 -2.836 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.316 -3.450 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.596 -1.853 -5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.103 -2.115 -6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.922 -3.923 -7.361 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.536 -2.301 -9.009 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.360 -4.108 -9.769 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.164 -3.296 -10.593 1.00 0.00 H new ATOM 1109 N CYS A 75 -6.089 -2.550 -2.276 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.458 -2.493 -0.839 1.00 0.00 C ATOM 1111 C CYS A 75 -7.781 -1.745 -0.696 1.00 0.00 C ATOM 1112 O CYS A 75 -7.829 -0.532 -0.757 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.319 -1.726 -0.167 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.802 -1.288 1.521 1.00 0.00 S ATOM 0 H CYS A 75 -5.388 -1.872 -2.576 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.589 -3.478 -0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.415 -2.335 -0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -5.087 -0.826 -0.736 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.862 -2.453 -0.522 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.171 -1.762 -0.392 1.00 0.00 C ATOM 1121 C CYS A 76 -10.369 -1.295 1.048 1.00 0.00 C ATOM 1122 O CYS A 76 -9.706 -1.753 1.959 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.227 -2.798 -0.781 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.720 -3.658 -2.289 1.00 0.00 S ATOM 0 H CYS A 76 -8.895 -3.471 -0.465 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.235 -0.879 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.361 -3.515 0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.189 -2.309 -0.937 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.273 -0.383 1.260 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.510 0.122 2.640 1.00 0.00 C ATOM 1131 C ARG A 77 -12.913 0.714 2.753 1.00 0.00 C ATOM 1132 O ARG A 77 -13.696 0.669 1.823 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.456 1.211 2.844 1.00 0.00 C ATOM 1134 CG ARG A 77 -9.291 0.656 3.661 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.361 1.802 4.064 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.087 2.521 5.148 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.433 3.299 5.967 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.294 3.821 5.600 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -8.919 3.557 7.150 1.00 0.00 N ATOM 0 H ARG A 77 -11.859 0.035 0.537 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.437 -0.668 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.098 1.569 1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.897 2.066 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.665 0.147 4.549 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.743 -0.084 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.400 1.426 4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.157 2.461 3.220 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.095 2.405 5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.916 3.621 4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.782 4.429 6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.810 3.151 7.435 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.408 4.165 7.790 1.00 0.00 H new ATOM 1153 N SER A 78 -13.237 1.274 3.886 1.00 0.00 N ATOM 1154 CA SER A 78 -14.589 1.874 4.059 1.00 0.00 C ATOM 1155 C SER A 78 -14.467 3.369 4.366 1.00 0.00 C ATOM 1156 O SER A 78 -14.537 3.786 5.506 1.00 0.00 O ATOM 1157 CB SER A 78 -15.205 1.131 5.243 1.00 0.00 C ATOM 1158 OG SER A 78 -16.435 0.543 4.840 1.00 0.00 O ATOM 0 H SER A 78 -12.624 1.342 4.699 1.00 0.00 H new ATOM 0 HA SER A 78 -15.200 1.783 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.521 0.362 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.372 1.819 6.072 1.00 0.00 H new ATOM 0 HG SER A 78 -16.257 -0.300 4.373 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.286 4.178 3.359 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.160 5.645 3.594 1.00 0.00 C ATOM 1166 C ARG A 79 -15.219 6.112 4.598 1.00 0.00 C ATOM 1167 O ARG A 79 -14.893 6.946 5.428 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.397 6.286 2.227 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.056 6.494 1.521 1.00 0.00 C ATOM 1170 CD ARG A 79 -12.994 7.913 0.951 1.00 0.00 C ATOM 1171 NE ARG A 79 -13.932 7.902 -0.207 1.00 0.00 N ATOM 1172 CZ ARG A 79 -13.470 8.019 -1.422 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -12.770 9.069 -1.756 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -13.708 7.086 -2.303 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.336 5.629 4.518 1.00 0.00 O ATOM 0 H ARG A 79 -14.220 3.887 2.384 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.189 5.916 4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.043 5.650 1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.910 7.241 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.236 6.336 2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.937 5.764 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.293 8.651 1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.982 8.169 0.637 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.935 7.803 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.584 9.798 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.409 9.160 -2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.255 6.266 -2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.347 7.177 -3.253 1.00 0.00 H new TER 1189 ARG A 79