USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 Set 1.1: A 14 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0116) USER MOD Single : A 1 VAL N :NH3+ -113:sc= -0.16 (180deg=-0.322) USER MOD Single : A 5 TYR OH : rot 129:sc= 1.3 USER MOD Single : A 8 GLN : amide:sc= 0.742 K(o=0.74,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.175 K(o=0.17,f=-7.5!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 20 SER OG : rot -73:sc= 0.252 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 25 THR OG1 : rot 95:sc= 1.15 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.014) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 34 SER OG : rot 5:sc= 1.21 USER MOD Single : A 36 HIS : no HE2:sc= 0.343 K(o=0.34,f=-1.7) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 0.0913 (180deg=0.0306) USER MOD Single : A 43 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-1.9!) USER MOD Single : A 50 ASN : amide:sc= 0.954 K(o=0.95,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.389 12.757 5.059 1.00 0.00 N ATOM 2 CA VAL A 1 5.997 11.418 4.556 1.00 0.00 C ATOM 3 C VAL A 1 4.986 10.775 5.476 1.00 0.00 C ATOM 4 O VAL A 1 4.709 11.265 6.573 1.00 0.00 O ATOM 5 CB VAL A 1 7.218 10.500 4.377 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.131 11.053 3.260 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.989 10.291 5.701 1.00 0.00 C ATOM 0 H1 VAL A 1 6.046 13.488 4.403 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.971 12.911 5.999 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.425 12.812 5.128 1.00 0.00 H new ATOM 0 HA VAL A 1 5.539 11.559 3.577 1.00 0.00 H new ATOM 0 HB VAL A 1 6.862 9.514 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.994 10.398 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.574 11.098 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.470 12.054 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.843 9.636 5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.340 11.253 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.328 9.836 6.439 1.00 0.00 H new ATOM 19 N ARG A 2 4.408 9.645 5.020 1.00 0.00 N ATOM 20 CA ARG A 2 3.461 8.835 5.738 1.00 0.00 C ATOM 21 C ARG A 2 4.110 7.481 5.827 1.00 0.00 C ATOM 22 O ARG A 2 5.123 7.233 5.167 1.00 0.00 O ATOM 23 CB ARG A 2 2.124 8.667 4.966 1.00 0.00 C ATOM 24 CG ARG A 2 1.494 10.006 4.531 1.00 0.00 C ATOM 25 CD ARG A 2 1.311 10.133 3.006 1.00 0.00 C ATOM 26 NE ARG A 2 -0.004 9.541 2.581 1.00 0.00 N ATOM 27 CZ ARG A 2 -1.174 10.254 2.574 1.00 0.00 C ATOM 28 NH1 ARG A 2 -1.205 11.579 2.903 1.00 0.00 N ATOM 29 NH2 ARG A 2 -2.335 9.620 2.240 1.00 0.00 N ATOM 0 H ARG A 2 4.614 9.273 4.093 1.00 0.00 H new ATOM 0 HA ARG A 2 3.226 9.292 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.298 8.052 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.415 8.128 5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.524 10.116 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.121 10.825 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.355 11.183 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.128 9.626 2.493 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.026 8.565 2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.344 12.061 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.089 12.087 2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.324 8.629 2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.214 10.137 2.230 1.00 0.00 H new ATOM 43 N ASP A 3 3.515 6.551 6.607 1.00 0.00 N ATOM 44 CA ASP A 3 3.860 5.156 6.565 1.00 0.00 C ATOM 45 C ASP A 3 2.461 4.651 6.590 1.00 0.00 C ATOM 46 O ASP A 3 1.635 5.280 7.259 1.00 0.00 O ATOM 47 CB ASP A 3 4.607 4.589 7.804 1.00 0.00 C ATOM 48 CG ASP A 3 5.831 5.441 8.140 1.00 0.00 C ATOM 49 OD1 ASP A 3 6.742 5.541 7.279 1.00 0.00 O ATOM 50 OD2 ASP A 3 5.875 5.999 9.269 1.00 0.00 O ATOM 0 H ASP A 3 2.781 6.772 7.279 1.00 0.00 H new ATOM 0 HA ASP A 3 4.536 4.899 5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.932 4.562 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.916 3.562 7.609 1.00 0.00 H new ATOM 55 N GLY A 4 2.117 3.597 5.827 1.00 0.00 N ATOM 56 CA GLY A 4 0.787 3.081 5.891 1.00 0.00 C ATOM 57 C GLY A 4 0.921 1.732 5.309 1.00 0.00 C ATOM 58 O GLY A 4 2.008 1.362 4.863 1.00 0.00 O ATOM 0 H GLY A 4 2.742 3.114 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.419 3.043 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.088 3.697 5.324 1.00 0.00 H new ATOM 62 N TYR A 5 -0.219 1.019 5.190 1.00 0.00 N ATOM 63 CA TYR A 5 -0.352 -0.062 4.253 1.00 0.00 C ATOM 64 C TYR A 5 -0.598 0.668 2.966 1.00 0.00 C ATOM 65 O TYR A 5 -1.378 1.618 2.965 1.00 0.00 O ATOM 66 CB TYR A 5 -1.589 -0.937 4.530 1.00 0.00 C ATOM 67 CG TYR A 5 -1.338 -1.976 5.573 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.490 -1.693 6.941 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.044 -3.284 5.173 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.390 -2.717 7.893 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.980 -4.311 6.116 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.171 -4.036 7.474 1.00 0.00 C ATOM 73 OH TYR A 5 -1.212 -5.099 8.402 1.00 0.00 O ATOM 0 H TYR A 5 -1.055 1.193 5.748 1.00 0.00 H new ATOM 0 HA TYR A 5 0.513 -0.725 4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.415 -0.301 4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.899 -1.424 3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.685 -0.680 7.261 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.866 -3.500 4.130 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.481 -2.490 8.945 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.782 -5.323 5.795 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.812 -5.800 8.071 1.00 0.00 H new ATOM 83 N ILE A 6 0.074 0.297 1.857 1.00 0.00 N ATOM 84 CA ILE A 6 -0.071 1.014 0.622 1.00 0.00 C ATOM 85 C ILE A 6 -1.205 0.344 -0.097 1.00 0.00 C ATOM 86 O ILE A 6 -1.322 -0.898 -0.139 1.00 0.00 O ATOM 87 CB ILE A 6 1.193 1.216 -0.220 1.00 0.00 C ATOM 88 CG1 ILE A 6 0.969 2.219 -1.386 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.764 -0.124 -0.696 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.219 2.468 -2.238 1.00 0.00 C ATOM 0 H ILE A 6 0.715 -0.495 1.815 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.290 2.060 0.838 1.00 0.00 H new ATOM 0 HB ILE A 6 1.945 1.671 0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.172 1.843 -2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.626 3.168 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.660 0.053 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.017 -0.739 0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.021 -0.641 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.984 3.178 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.012 2.874 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.551 1.529 -2.680 1.00 0.00 H new ATOM 102 N ALA A 7 -2.070 1.255 -0.595 1.00 0.00 N ATOM 103 CA ALA A 7 -3.250 1.020 -1.362 1.00 0.00 C ATOM 104 C ALA A 7 -2.948 1.263 -2.805 1.00 0.00 C ATOM 105 O ALA A 7 -1.835 1.058 -3.275 1.00 0.00 O ATOM 106 CB ALA A 7 -4.400 1.972 -0.981 1.00 0.00 C ATOM 0 H ALA A 7 -1.920 2.252 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.557 -0.007 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.274 1.751 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.651 1.836 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.090 3.003 -1.150 1.00 0.00 H new ATOM 112 N GLN A 8 -3.967 1.737 -3.535 1.00 0.00 N ATOM 113 CA GLN A 8 -3.893 2.227 -4.866 1.00 0.00 C ATOM 114 C GLN A 8 -4.801 3.393 -4.618 1.00 0.00 C ATOM 115 O GLN A 8 -5.647 3.248 -3.726 1.00 0.00 O ATOM 116 CB GLN A 8 -4.528 1.261 -5.890 1.00 0.00 C ATOM 117 CG GLN A 8 -3.728 -0.048 -6.019 1.00 0.00 C ATOM 118 CD GLN A 8 -4.531 -1.063 -6.829 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.307 -1.229 -8.032 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.506 -1.736 -6.152 1.00 0.00 N ATOM 0 H GLN A 8 -4.915 1.779 -3.162 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.899 2.406 -5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.550 1.033 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.584 1.749 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.772 0.145 -6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.507 -0.450 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.650 -1.561 -5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.091 -2.414 -6.641 1.00 0.00 H new ATOM 129 N PRO A 9 -4.670 4.535 -5.270 1.00 0.00 N ATOM 130 CA PRO A 9 -5.395 5.726 -4.875 1.00 0.00 C ATOM 131 C PRO A 9 -6.831 5.583 -5.326 1.00 0.00 C ATOM 132 O PRO A 9 -7.078 4.871 -6.300 1.00 0.00 O ATOM 133 CB PRO A 9 -4.666 6.873 -5.599 1.00 0.00 C ATOM 134 CG PRO A 9 -3.933 6.212 -6.773 1.00 0.00 C ATOM 135 CD PRO A 9 -3.608 4.818 -6.235 1.00 0.00 C ATOM 0 HA PRO A 9 -5.420 5.903 -3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.371 7.627 -5.950 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.966 7.377 -4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.559 6.165 -7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.031 6.760 -7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.593 4.078 -7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.626 4.795 -5.762 1.00 0.00 H new ATOM 143 N GLU A 10 -7.820 6.206 -4.647 1.00 0.00 N ATOM 144 CA GLU A 10 -7.681 7.182 -3.594 1.00 0.00 C ATOM 145 C GLU A 10 -7.880 6.486 -2.281 1.00 0.00 C ATOM 146 O GLU A 10 -7.579 7.032 -1.223 1.00 0.00 O ATOM 147 CB GLU A 10 -8.693 8.330 -3.752 1.00 0.00 C ATOM 148 CG GLU A 10 -8.358 9.206 -4.975 1.00 0.00 C ATOM 149 CD GLU A 10 -9.379 10.330 -5.121 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.500 11.153 -4.175 1.00 0.00 O ATOM 151 OE2 GLU A 10 -10.057 10.377 -6.183 1.00 0.00 O ATOM 0 H GLU A 10 -8.800 6.011 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.686 7.625 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.697 7.920 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.694 8.944 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.358 9.626 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.350 8.594 -5.877 1.00 0.00 H new ATOM 158 N ASN A 11 -8.378 5.239 -2.316 1.00 0.00 N ATOM 159 CA ASN A 11 -8.506 4.411 -1.176 1.00 0.00 C ATOM 160 C ASN A 11 -8.615 3.139 -1.931 1.00 0.00 C ATOM 161 O ASN A 11 -9.233 3.150 -2.994 1.00 0.00 O ATOM 162 CB ASN A 11 -9.822 4.647 -0.408 1.00 0.00 C ATOM 163 CG ASN A 11 -9.866 3.804 0.861 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.892 3.142 1.239 1.00 0.00 O ATOM 165 ND2 ASN A 11 -11.013 3.917 1.586 1.00 0.00 N ATOM 0 H ASN A 11 -8.702 4.797 -3.176 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.730 4.522 -0.418 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.915 5.703 -0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.670 4.398 -1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.097 3.443 2.485 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.789 4.476 1.230 1.00 0.00 H new ATOM 172 N CYS A 12 -8.015 2.064 -1.423 1.00 0.00 N ATOM 173 CA CYS A 12 -8.076 0.721 -1.940 1.00 0.00 C ATOM 174 C CYS A 12 -7.175 -0.039 -1.035 1.00 0.00 C ATOM 175 O CYS A 12 -6.875 0.445 0.054 1.00 0.00 O ATOM 176 CB CYS A 12 -7.723 0.550 -3.453 1.00 0.00 C ATOM 177 SG CYS A 12 -8.915 -0.442 -4.406 1.00 0.00 S ATOM 0 H CYS A 12 -7.438 2.125 -0.584 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.103 0.355 -1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.647 1.538 -3.908 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.740 0.086 -3.532 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.526 -0.516 -5.644 1.00 0.00 H new ATOM 182 N VAL A 13 -6.688 -1.213 -1.477 1.00 0.00 N ATOM 183 CA VAL A 13 -5.541 -1.873 -0.936 1.00 0.00 C ATOM 184 C VAL A 13 -4.785 -2.087 -2.209 1.00 0.00 C ATOM 185 O VAL A 13 -5.365 -1.951 -3.292 1.00 0.00 O ATOM 186 CB VAL A 13 -5.792 -3.209 -0.241 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.125 -2.939 1.237 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.889 -4.025 -0.959 1.00 0.00 C ATOM 0 H VAL A 13 -7.115 -1.726 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.066 -1.300 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.894 -3.824 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.307 -3.885 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.288 -2.426 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.016 -2.315 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.041 -4.969 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.820 -3.459 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.581 -4.224 -1.986 1.00 0.00 H new ATOM 198 N TYR A 14 -3.477 -2.420 -2.112 1.00 0.00 N ATOM 199 CA TYR A 14 -2.750 -3.018 -3.205 1.00 0.00 C ATOM 200 C TYR A 14 -2.945 -4.492 -3.013 1.00 0.00 C ATOM 201 O TYR A 14 -3.896 -4.908 -2.360 1.00 0.00 O ATOM 202 CB TYR A 14 -1.246 -2.594 -3.296 1.00 0.00 C ATOM 203 CG TYR A 14 -0.855 -2.042 -4.649 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.287 -2.649 -5.848 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.021 -0.913 -4.737 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.959 -2.095 -7.091 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.318 -0.364 -5.980 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.171 -0.940 -7.159 1.00 0.00 C ATOM 209 OH TYR A 14 0.112 -0.340 -8.405 1.00 0.00 O ATOM 0 H TYR A 14 -2.918 -2.274 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.130 -2.672 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.042 -1.843 -2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.619 -3.457 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.878 -3.552 -5.806 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.363 -0.463 -3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.314 -2.559 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.958 0.505 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 14 0.226 0.626 -8.285 1.00 0.00 H new ATOM 219 N HIS A 15 -2.060 -5.332 -3.557 1.00 0.00 N ATOM 220 CA HIS A 15 -2.040 -6.719 -3.214 1.00 0.00 C ATOM 221 C HIS A 15 -0.569 -6.909 -3.135 1.00 0.00 C ATOM 222 O HIS A 15 0.184 -5.946 -3.303 1.00 0.00 O ATOM 223 CB HIS A 15 -2.689 -7.672 -4.250 1.00 0.00 C ATOM 224 CG HIS A 15 -4.192 -7.708 -4.131 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.017 -6.714 -4.586 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.977 -8.623 -3.516 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.263 -7.019 -4.251 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.268 -8.175 -3.602 1.00 0.00 N ATOM 0 H HIS A 15 -1.353 -5.054 -4.238 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.621 -6.956 -2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.414 -7.354 -5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.292 -8.678 -4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.646 -9.537 -3.045 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.135 -6.421 -4.472 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.091 -8.649 -3.231 1.00 0.00 H new ATOM 237 N CYS A 16 -0.138 -8.146 -2.866 1.00 0.00 N ATOM 238 CA CYS A 16 1.211 -8.534 -2.658 1.00 0.00 C ATOM 239 C CYS A 16 1.076 -9.887 -3.261 1.00 0.00 C ATOM 240 O CYS A 16 -0.048 -10.364 -3.432 1.00 0.00 O ATOM 241 CB CYS A 16 1.560 -8.624 -1.145 1.00 0.00 C ATOM 242 SG CYS A 16 2.984 -9.671 -0.698 1.00 0.00 S ATOM 0 H CYS A 16 -0.783 -8.932 -2.789 1.00 0.00 H new ATOM 0 HA CYS A 16 1.984 -7.877 -3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.750 -7.615 -0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.683 -8.996 -0.614 1.00 0.00 H new ATOM 247 N PHE A 17 2.206 -10.529 -3.597 1.00 0.00 N ATOM 248 CA PHE A 17 2.262 -11.880 -4.035 1.00 0.00 C ATOM 249 C PHE A 17 3.134 -12.433 -2.945 1.00 0.00 C ATOM 250 O PHE A 17 4.241 -11.902 -2.840 1.00 0.00 O ATOM 251 CB PHE A 17 3.005 -12.018 -5.392 1.00 0.00 C ATOM 252 CG PHE A 17 2.503 -11.023 -6.415 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.128 -10.861 -6.661 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.414 -10.211 -7.118 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.669 -9.913 -7.583 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.960 -9.263 -8.045 1.00 0.00 C ATOM 257 CZ PHE A 17 1.586 -9.117 -8.279 1.00 0.00 C ATOM 0 H PHE A 17 3.122 -10.082 -3.560 1.00 0.00 H new ATOM 0 HA PHE A 17 1.291 -12.350 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.074 -11.871 -5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.875 -13.030 -5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.416 -11.477 -6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.474 -10.320 -6.941 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.390 -9.796 -7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.668 -8.646 -8.578 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.235 -8.390 -8.996 1.00 0.00 H new ATOM 267 N PRO A 18 2.751 -13.402 -2.108 1.00 0.00 N ATOM 268 CA PRO A 18 3.577 -13.863 -1.000 1.00 0.00 C ATOM 269 C PRO A 18 4.937 -14.356 -1.438 1.00 0.00 C ATOM 270 O PRO A 18 5.032 -15.362 -2.137 1.00 0.00 O ATOM 271 CB PRO A 18 2.740 -14.990 -0.387 1.00 0.00 C ATOM 272 CG PRO A 18 1.305 -14.467 -0.515 1.00 0.00 C ATOM 273 CD PRO A 18 1.334 -13.650 -1.816 1.00 0.00 C ATOM 0 HA PRO A 18 3.807 -13.060 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.876 -15.930 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.011 -15.173 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.584 -15.283 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.025 -13.851 0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.858 -14.196 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.790 -12.713 -1.700 1.00 0.00 H new ATOM 281 N GLY A 19 5.989 -13.604 -1.068 1.00 0.00 N ATOM 282 CA GLY A 19 7.282 -13.701 -1.683 1.00 0.00 C ATOM 283 C GLY A 19 7.738 -12.284 -1.620 1.00 0.00 C ATOM 284 O GLY A 19 8.903 -12.007 -1.347 1.00 0.00 O ATOM 0 H GLY A 19 5.942 -12.910 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.947 -14.372 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.224 -14.070 -2.707 1.00 0.00 H new ATOM 288 N SER A 20 6.769 -11.360 -1.839 1.00 0.00 N ATOM 289 CA SER A 20 6.810 -9.981 -1.416 1.00 0.00 C ATOM 290 C SER A 20 7.513 -9.106 -2.405 1.00 0.00 C ATOM 291 O SER A 20 7.511 -7.881 -2.280 1.00 0.00 O ATOM 292 CB SER A 20 7.353 -9.776 0.019 1.00 0.00 C ATOM 293 OG SER A 20 6.662 -10.648 0.915 1.00 0.00 O ATOM 0 H SER A 20 5.910 -11.589 -2.339 1.00 0.00 H new ATOM 0 HA SER A 20 5.767 -9.667 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.423 -9.980 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.218 -8.739 0.326 1.00 0.00 H new ATOM 0 HG SER A 20 5.752 -10.314 1.060 1.00 0.00 H new ATOM 299 N SER A 21 8.089 -9.722 -3.454 1.00 0.00 N ATOM 300 CA SER A 21 8.942 -9.108 -4.434 1.00 0.00 C ATOM 301 C SER A 21 8.245 -8.029 -5.207 1.00 0.00 C ATOM 302 O SER A 21 8.783 -6.943 -5.430 1.00 0.00 O ATOM 303 CB SER A 21 9.457 -10.190 -5.409 1.00 0.00 C ATOM 304 OG SER A 21 9.680 -11.403 -4.692 1.00 0.00 O ATOM 0 H SER A 21 7.951 -10.717 -3.632 1.00 0.00 H new ATOM 0 HA SER A 21 9.771 -8.641 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.731 -10.353 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.381 -9.859 -5.883 1.00 0.00 H new ATOM 0 HG SER A 21 10.005 -12.092 -5.308 1.00 0.00 H new ATOM 310 N GLY A 22 6.983 -8.299 -5.597 1.00 0.00 N ATOM 311 CA GLY A 22 6.184 -7.376 -6.367 1.00 0.00 C ATOM 312 C GLY A 22 5.760 -6.228 -5.510 1.00 0.00 C ATOM 313 O GLY A 22 5.635 -5.102 -5.984 1.00 0.00 O ATOM 0 H GLY A 22 6.504 -9.172 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.756 -7.012 -7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.307 -7.886 -6.765 1.00 0.00 H new ATOM 317 N CYS A 23 5.555 -6.484 -4.199 1.00 0.00 N ATOM 318 CA CYS A 23 5.112 -5.489 -3.247 1.00 0.00 C ATOM 319 C CYS A 23 6.255 -4.557 -3.022 1.00 0.00 C ATOM 320 O CYS A 23 6.071 -3.353 -3.148 1.00 0.00 O ATOM 321 CB CYS A 23 4.611 -6.099 -1.908 1.00 0.00 C ATOM 322 SG CYS A 23 4.454 -4.997 -0.452 1.00 0.00 S ATOM 0 H CYS A 23 5.700 -7.405 -3.785 1.00 0.00 H new ATOM 0 HA CYS A 23 4.248 -4.964 -3.655 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.634 -6.547 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.288 -6.910 -1.639 1.00 0.00 H new ATOM 327 N ASP A 24 7.469 -5.075 -2.730 1.00 0.00 N ATOM 328 CA ASP A 24 8.623 -4.229 -2.509 1.00 0.00 C ATOM 329 C ASP A 24 8.959 -3.446 -3.764 1.00 0.00 C ATOM 330 O ASP A 24 9.281 -2.265 -3.682 1.00 0.00 O ATOM 331 CB ASP A 24 9.871 -4.994 -1.993 1.00 0.00 C ATOM 332 CG ASP A 24 10.918 -4.006 -1.461 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.578 -3.245 -0.518 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.058 -3.994 -1.997 1.00 0.00 O ATOM 0 H ASP A 24 7.657 -6.074 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 24 8.342 -3.539 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.581 -5.687 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.300 -5.590 -2.799 1.00 0.00 H new ATOM 339 N THR A 25 8.825 -4.056 -4.960 1.00 0.00 N ATOM 340 CA THR A 25 8.982 -3.357 -6.223 1.00 0.00 C ATOM 341 C THR A 25 7.988 -2.215 -6.360 1.00 0.00 C ATOM 342 O THR A 25 8.383 -1.091 -6.671 1.00 0.00 O ATOM 343 CB THR A 25 8.820 -4.274 -7.422 1.00 0.00 C ATOM 344 OG1 THR A 25 9.673 -5.410 -7.300 1.00 0.00 O ATOM 345 CG2 THR A 25 9.189 -3.541 -8.730 1.00 0.00 C ATOM 0 H THR A 25 8.605 -5.047 -5.062 1.00 0.00 H new ATOM 0 HA THR A 25 9.999 -2.966 -6.211 1.00 0.00 H new ATOM 0 HB THR A 25 7.776 -4.586 -7.453 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.174 -6.152 -6.898 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.065 -4.219 -9.574 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.537 -2.677 -8.859 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.226 -3.209 -8.681 1.00 0.00 H new ATOM 353 N LEU A 26 6.674 -2.470 -6.117 1.00 0.00 N ATOM 354 CA LEU A 26 5.630 -1.471 -6.239 1.00 0.00 C ATOM 355 C LEU A 26 5.836 -0.394 -5.222 1.00 0.00 C ATOM 356 O LEU A 26 5.762 0.793 -5.523 1.00 0.00 O ATOM 357 CB LEU A 26 4.206 -2.034 -6.043 1.00 0.00 C ATOM 358 CG LEU A 26 3.717 -2.887 -7.236 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.539 -3.794 -6.833 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.371 -2.007 -8.454 1.00 0.00 C ATOM 0 H LEU A 26 6.330 -3.386 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 26 5.704 -1.090 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.184 -2.641 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.514 -1.207 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 26 4.539 -3.539 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.220 -4.380 -7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.854 -4.465 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.709 -3.179 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.031 -2.639 -9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.581 -1.306 -8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.256 -1.453 -8.766 1.00 0.00 H new ATOM 372 N CYS A 27 6.154 -0.793 -3.982 1.00 0.00 N ATOM 373 CA CYS A 27 6.496 0.099 -2.902 1.00 0.00 C ATOM 374 C CYS A 27 7.621 1.023 -3.302 1.00 0.00 C ATOM 375 O CYS A 27 7.534 2.234 -3.104 1.00 0.00 O ATOM 376 CB CYS A 27 6.912 -0.679 -1.627 1.00 0.00 C ATOM 377 SG CYS A 27 7.049 0.378 -0.169 1.00 0.00 S ATOM 0 H CYS A 27 6.176 -1.776 -3.711 1.00 0.00 H new ATOM 0 HA CYS A 27 5.603 0.684 -2.682 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.181 -1.464 -1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.869 -1.171 -1.804 1.00 0.00 H new ATOM 382 N LYS A 28 8.685 0.461 -3.920 1.00 0.00 N ATOM 383 CA LYS A 28 9.872 1.194 -4.284 1.00 0.00 C ATOM 384 C LYS A 28 9.557 2.223 -5.335 1.00 0.00 C ATOM 385 O LYS A 28 9.900 3.394 -5.186 1.00 0.00 O ATOM 386 CB LYS A 28 11.008 0.261 -4.774 1.00 0.00 C ATOM 387 CG LYS A 28 12.394 0.929 -4.824 1.00 0.00 C ATOM 388 CD LYS A 28 13.564 -0.050 -5.054 1.00 0.00 C ATOM 389 CE LYS A 28 13.691 -1.182 -4.016 1.00 0.00 C ATOM 390 NZ LYS A 28 13.686 -0.662 -2.627 1.00 0.00 N ATOM 0 H LYS A 28 8.722 -0.526 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 28 10.226 1.697 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.059 -0.607 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.758 -0.106 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.397 1.673 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.561 1.463 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.453 -0.497 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.494 0.518 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.868 -1.885 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.613 -1.735 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.858 -1.444 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.434 0.053 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.763 -0.230 -2.421 1.00 0.00 H new ATOM 404 N GLU A 29 8.852 1.820 -6.415 1.00 0.00 N ATOM 405 CA GLU A 29 8.553 2.714 -7.514 1.00 0.00 C ATOM 406 C GLU A 29 7.516 3.753 -7.151 1.00 0.00 C ATOM 407 O GLU A 29 7.441 4.792 -7.804 1.00 0.00 O ATOM 408 CB GLU A 29 8.126 1.979 -8.809 1.00 0.00 C ATOM 409 CG GLU A 29 6.806 1.204 -8.704 1.00 0.00 C ATOM 410 CD GLU A 29 6.598 0.354 -9.955 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.466 0.947 -11.057 1.00 0.00 O ATOM 412 OE2 GLU A 29 6.574 -0.900 -9.825 1.00 0.00 O ATOM 0 H GLU A 29 8.486 0.875 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 29 9.497 3.220 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.039 2.710 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.917 1.285 -9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.818 0.567 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.975 1.899 -8.585 1.00 0.00 H new ATOM 419 N LYS A 30 6.703 3.517 -6.090 1.00 0.00 N ATOM 420 CA LYS A 30 5.763 4.498 -5.583 1.00 0.00 C ATOM 421 C LYS A 30 6.435 5.389 -4.569 1.00 0.00 C ATOM 422 O LYS A 30 5.857 6.384 -4.131 1.00 0.00 O ATOM 423 CB LYS A 30 4.518 3.871 -4.913 1.00 0.00 C ATOM 424 CG LYS A 30 3.595 3.104 -5.883 1.00 0.00 C ATOM 425 CD LYS A 30 2.966 3.967 -6.990 1.00 0.00 C ATOM 426 CE LYS A 30 1.916 3.213 -7.824 1.00 0.00 C ATOM 427 NZ LYS A 30 2.508 2.047 -8.522 1.00 0.00 N ATOM 0 H LYS A 30 6.696 2.636 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 30 5.430 5.063 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.846 3.190 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.943 4.661 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.167 2.301 -6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.796 2.635 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.501 4.843 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.754 4.329 -7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.108 2.877 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.476 3.891 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.780 1.583 -9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.285 2.367 -9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.875 1.372 -7.821 1.00 0.00 H new ATOM 441 N GLY A 31 7.692 5.071 -4.199 1.00 0.00 N ATOM 442 CA GLY A 31 8.542 5.982 -3.484 1.00 0.00 C ATOM 443 C GLY A 31 8.494 5.713 -2.023 1.00 0.00 C ATOM 444 O GLY A 31 8.713 6.628 -1.236 1.00 0.00 O ATOM 0 H GLY A 31 8.126 4.170 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.567 5.887 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.230 7.008 -3.680 1.00 0.00 H new ATOM 448 N GLY A 32 8.217 4.451 -1.621 1.00 0.00 N ATOM 449 CA GLY A 32 8.399 4.000 -0.264 1.00 0.00 C ATOM 450 C GLY A 32 9.750 3.363 -0.247 1.00 0.00 C ATOM 451 O GLY A 32 10.184 2.795 -1.250 1.00 0.00 O ATOM 0 H GLY A 32 7.860 3.730 -2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.346 4.831 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.624 3.290 0.023 1.00 0.00 H new ATOM 455 N THR A 33 10.483 3.458 0.883 1.00 0.00 N ATOM 456 CA THR A 33 11.896 3.165 0.891 1.00 0.00 C ATOM 457 C THR A 33 12.133 1.675 0.837 1.00 0.00 C ATOM 458 O THR A 33 13.074 1.191 0.207 1.00 0.00 O ATOM 459 CB THR A 33 12.566 3.799 2.095 1.00 0.00 C ATOM 460 OG1 THR A 33 11.800 3.588 3.279 1.00 0.00 O ATOM 461 CG2 THR A 33 12.663 5.318 1.841 1.00 0.00 C ATOM 0 H THR A 33 10.104 3.736 1.788 1.00 0.00 H new ATOM 0 HA THR A 33 12.347 3.599 -0.001 1.00 0.00 H new ATOM 0 HB THR A 33 13.550 3.350 2.232 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.254 4.005 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.142 5.800 2.693 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.253 5.500 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.662 5.729 1.707 1.00 0.00 H new ATOM 469 N SER A 34 11.281 0.896 1.518 1.00 0.00 N ATOM 470 CA SER A 34 11.183 -0.513 1.334 1.00 0.00 C ATOM 471 C SER A 34 9.835 -0.700 1.936 1.00 0.00 C ATOM 472 O SER A 34 9.206 0.287 2.343 1.00 0.00 O ATOM 473 CB SER A 34 12.275 -1.347 2.043 1.00 0.00 C ATOM 474 OG SER A 34 13.518 -1.155 1.374 1.00 0.00 O ATOM 0 H SER A 34 10.638 1.260 2.221 1.00 0.00 H new ATOM 0 HA SER A 34 11.319 -0.849 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.360 -1.045 3.087 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.004 -2.403 2.037 1.00 0.00 H new ATOM 0 HG SER A 34 13.411 -0.479 0.672 1.00 0.00 H new ATOM 480 N GLY A 35 9.365 -1.953 2.010 1.00 0.00 N ATOM 481 CA GLY A 35 8.053 -2.255 2.442 1.00 0.00 C ATOM 482 C GLY A 35 8.173 -3.727 2.502 1.00 0.00 C ATOM 483 O GLY A 35 9.260 -4.259 2.258 1.00 0.00 O ATOM 0 H GLY A 35 9.917 -2.774 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.813 -1.811 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.289 -1.921 1.739 1.00 0.00 H new ATOM 487 N HIS A 36 7.070 -4.410 2.822 1.00 0.00 N ATOM 488 CA HIS A 36 7.027 -5.818 3.028 1.00 0.00 C ATOM 489 C HIS A 36 5.556 -5.972 2.920 1.00 0.00 C ATOM 490 O HIS A 36 4.862 -4.974 2.710 1.00 0.00 O ATOM 491 CB HIS A 36 7.544 -6.293 4.412 1.00 0.00 C ATOM 492 CG HIS A 36 7.046 -5.483 5.585 1.00 0.00 C ATOM 493 ND1 HIS A 36 5.811 -5.653 6.159 1.00 0.00 N ATOM 494 CD2 HIS A 36 7.663 -4.484 6.256 1.00 0.00 C ATOM 495 CE1 HIS A 36 5.693 -4.781 7.152 1.00 0.00 C ATOM 496 NE2 HIS A 36 6.804 -4.061 7.235 1.00 0.00 N ATOM 0 H HIS A 36 6.163 -3.960 2.944 1.00 0.00 H new ATOM 0 HA HIS A 36 7.656 -6.398 2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.252 -7.333 4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.634 -6.266 4.406 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.106 -6.332 5.872 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.650 -4.093 6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.829 -4.674 7.791 1.00 0.00 H new ATOM 505 N CYS A 37 5.024 -7.196 3.055 1.00 0.00 N ATOM 506 CA CYS A 37 3.612 -7.404 2.888 1.00 0.00 C ATOM 507 C CYS A 37 3.044 -7.556 4.244 1.00 0.00 C ATOM 508 O CYS A 37 3.773 -7.785 5.208 1.00 0.00 O ATOM 509 CB CYS A 37 3.295 -8.667 2.079 1.00 0.00 C ATOM 510 SG CYS A 37 4.084 -8.489 0.473 1.00 0.00 S ATOM 0 H CYS A 37 5.558 -8.036 3.277 1.00 0.00 H new ATOM 0 HA CYS A 37 3.190 -6.560 2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.665 -9.555 2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.218 -8.790 1.966 1.00 0.00 H new ATOM 515 N GLY A 38 1.713 -7.458 4.342 1.00 0.00 N ATOM 516 CA GLY A 38 1.020 -7.710 5.553 1.00 0.00 C ATOM 517 C GLY A 38 -0.340 -7.842 4.986 1.00 0.00 C ATOM 518 O GLY A 38 -0.543 -7.553 3.802 1.00 0.00 O ATOM 0 H GLY A 38 1.108 -7.198 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.360 -8.614 6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.105 -6.893 6.270 1.00 0.00 H new ATOM 522 N PHE A 39 -1.304 -8.270 5.819 1.00 0.00 N ATOM 523 CA PHE A 39 -2.680 -8.399 5.431 1.00 0.00 C ATOM 524 C PHE A 39 -3.310 -7.195 6.065 1.00 0.00 C ATOM 525 O PHE A 39 -2.872 -6.789 7.147 1.00 0.00 O ATOM 526 CB PHE A 39 -3.295 -9.701 6.008 1.00 0.00 C ATOM 527 CG PHE A 39 -4.492 -10.177 5.232 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.786 -9.765 5.584 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.336 -11.091 4.175 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.905 -10.275 4.919 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.453 -11.602 3.503 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.741 -11.205 3.884 1.00 0.00 C ATOM 0 H PHE A 39 -1.126 -8.534 6.788 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.824 -8.453 4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.537 -10.484 6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.585 -9.531 7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.919 -9.045 6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.345 -11.402 3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.896 -9.952 5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.321 -12.302 2.691 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.605 -11.614 3.382 1.00 0.00 H new ATOM 542 N LYS A 40 -4.325 -6.591 5.410 1.00 0.00 N ATOM 543 CA LYS A 40 -5.061 -5.493 5.971 1.00 0.00 C ATOM 544 C LYS A 40 -6.451 -6.029 6.095 1.00 0.00 C ATOM 545 O LYS A 40 -7.237 -6.026 5.144 1.00 0.00 O ATOM 546 CB LYS A 40 -5.023 -4.203 5.111 1.00 0.00 C ATOM 547 CG LYS A 40 -5.538 -2.950 5.846 1.00 0.00 C ATOM 548 CD LYS A 40 -7.056 -2.721 5.746 1.00 0.00 C ATOM 549 CE LYS A 40 -7.573 -1.627 6.685 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.570 -2.083 8.094 1.00 0.00 N ATOM 0 H LYS A 40 -4.639 -6.868 4.480 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.629 -5.173 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.998 -4.026 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.622 -4.358 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.265 -3.026 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.026 -2.075 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.308 -2.456 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.572 -3.655 5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.952 -0.737 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.584 -1.343 6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.122 -1.420 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.995 -3.031 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.592 -2.119 8.445 1.00 0.00 H new ATOM 564 N VAL A 41 -6.785 -6.525 7.305 1.00 0.00 N ATOM 565 CA VAL A 41 -8.036 -7.177 7.587 1.00 0.00 C ATOM 566 C VAL A 41 -9.099 -6.116 7.526 1.00 0.00 C ATOM 567 O VAL A 41 -8.951 -5.054 8.127 1.00 0.00 O ATOM 568 CB VAL A 41 -8.076 -7.879 8.943 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.149 -8.990 8.907 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.686 -8.459 9.294 1.00 0.00 C ATOM 0 H VAL A 41 -6.166 -6.471 8.114 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.190 -7.967 6.852 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.337 -7.159 9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.182 -9.495 9.872 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.123 -8.549 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.900 -9.711 8.129 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.733 -8.955 10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.389 -9.179 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.955 -7.652 9.335 1.00 0.00 H new ATOM 580 N GLY A 42 -10.154 -6.359 6.729 1.00 0.00 N ATOM 581 CA GLY A 42 -11.122 -5.350 6.405 1.00 0.00 C ATOM 582 C GLY A 42 -11.218 -5.388 4.922 1.00 0.00 C ATOM 583 O GLY A 42 -12.310 -5.334 4.368 1.00 0.00 O ATOM 0 H GLY A 42 -10.341 -7.266 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.085 -5.560 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.805 -4.368 6.757 1.00 0.00 H new ATOM 587 N HIS A 43 -10.063 -5.502 4.234 1.00 0.00 N ATOM 588 CA HIS A 43 -10.038 -5.526 2.794 1.00 0.00 C ATOM 589 C HIS A 43 -9.448 -6.832 2.371 1.00 0.00 C ATOM 590 O HIS A 43 -10.140 -7.674 1.805 1.00 0.00 O ATOM 591 CB HIS A 43 -9.213 -4.376 2.178 1.00 0.00 C ATOM 592 CG HIS A 43 -9.925 -3.051 2.175 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.498 -2.008 1.399 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.038 -2.632 2.824 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.326 -0.991 1.569 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.271 -1.344 2.427 1.00 0.00 N ATOM 0 H HIS A 43 -9.145 -5.578 4.672 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.060 -5.400 2.438 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.279 -4.275 2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.950 -4.639 1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.629 -3.206 3.522 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.245 -0.028 1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.043 -0.755 2.739 1.00 0.00 H new ATOM 605 N GLY A 44 -8.142 -7.059 2.610 1.00 0.00 N ATOM 606 CA GLY A 44 -7.533 -8.232 2.067 1.00 0.00 C ATOM 607 C GLY A 44 -6.067 -8.051 2.224 1.00 0.00 C ATOM 608 O GLY A 44 -5.605 -7.228 3.017 1.00 0.00 O ATOM 0 H GLY A 44 -7.529 -6.455 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.873 -9.125 2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.799 -8.358 1.018 1.00 0.00 H new ATOM 612 N LEU A 45 -5.297 -8.824 1.427 1.00 0.00 N ATOM 613 CA LEU A 45 -3.855 -8.781 1.347 1.00 0.00 C ATOM 614 C LEU A 45 -3.521 -7.471 0.687 1.00 0.00 C ATOM 615 O LEU A 45 -4.208 -7.089 -0.258 1.00 0.00 O ATOM 616 CB LEU A 45 -3.329 -9.972 0.500 1.00 0.00 C ATOM 617 CG LEU A 45 -1.798 -10.085 0.308 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.016 -10.418 1.591 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.471 -11.139 -0.762 1.00 0.00 C ATOM 0 H LEU A 45 -5.701 -9.520 0.801 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.392 -8.860 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.680 -10.895 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.789 -9.914 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.476 -9.092 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.048 -10.478 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.185 -9.638 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.357 -11.375 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.390 -11.208 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.863 -12.107 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.928 -10.850 -1.709 1.00 0.00 H new ATOM 631 N ALA A 46 -2.509 -6.737 1.196 1.00 0.00 N ATOM 632 CA ALA A 46 -2.272 -5.371 0.819 1.00 0.00 C ATOM 633 C ALA A 46 -0.784 -5.299 0.740 1.00 0.00 C ATOM 634 O ALA A 46 -0.139 -6.336 0.889 1.00 0.00 O ATOM 635 CB ALA A 46 -2.794 -4.396 1.888 1.00 0.00 C ATOM 0 H ALA A 46 -1.844 -7.097 1.881 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.777 -5.096 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.599 -3.371 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.867 -4.538 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.286 -4.587 2.834 1.00 0.00 H new ATOM 641 N CYS A 47 -0.181 -4.102 0.523 1.00 0.00 N ATOM 642 CA CYS A 47 1.267 -4.036 0.503 1.00 0.00 C ATOM 643 C CYS A 47 1.528 -3.049 1.602 1.00 0.00 C ATOM 644 O CYS A 47 0.600 -2.328 1.955 1.00 0.00 O ATOM 645 CB CYS A 47 1.771 -3.615 -0.904 1.00 0.00 C ATOM 646 SG CYS A 47 3.552 -3.295 -1.082 1.00 0.00 S ATOM 0 H CYS A 47 -0.665 -3.218 0.368 1.00 0.00 H new ATOM 0 HA CYS A 47 1.798 -4.973 0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.495 -4.398 -1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.234 -2.714 -1.201 1.00 0.00 H new ATOM 651 N TRP A 48 2.737 -3.004 2.213 1.00 0.00 N ATOM 652 CA TRP A 48 3.066 -2.055 3.262 1.00 0.00 C ATOM 653 C TRP A 48 4.235 -1.293 2.708 1.00 0.00 C ATOM 654 O TRP A 48 4.970 -1.828 1.880 1.00 0.00 O ATOM 655 CB TRP A 48 3.402 -2.728 4.640 1.00 0.00 C ATOM 656 CG TRP A 48 4.045 -1.841 5.702 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.360 -1.478 5.793 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.356 -1.112 6.733 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.526 -0.522 6.758 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.307 -0.269 7.345 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.026 -1.109 7.139 1.00 0.00 C ATOM 662 CZ2 TRP A 48 3.935 0.618 8.354 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.655 -0.240 8.177 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.594 0.621 8.766 1.00 0.00 C ATOM 0 H TRP A 48 3.503 -3.635 1.978 1.00 0.00 H new ATOM 0 HA TRP A 48 2.215 -1.417 3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.479 -3.136 5.052 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.068 -3.570 4.453 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.156 -1.888 5.189 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.408 -0.071 7.002 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.300 -1.756 6.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.657 1.283 8.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.633 -0.234 8.527 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.279 1.296 9.548 1.00 0.00 H new ATOM 675 N CYS A 49 4.421 -0.025 3.155 1.00 0.00 N ATOM 676 CA CYS A 49 5.535 0.793 2.767 1.00 0.00 C ATOM 677 C CYS A 49 5.836 1.635 3.956 1.00 0.00 C ATOM 678 O CYS A 49 4.946 1.927 4.755 1.00 0.00 O ATOM 679 CB CYS A 49 5.208 1.811 1.653 1.00 0.00 C ATOM 680 SG CYS A 49 5.156 1.055 0.020 1.00 0.00 S ATOM 0 H CYS A 49 3.780 0.437 3.800 1.00 0.00 H new ATOM 0 HA CYS A 49 6.327 0.132 2.416 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.246 2.279 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.956 2.604 1.659 1.00 0.00 H new ATOM 685 N ASN A 50 7.101 2.098 4.050 1.00 0.00 N ATOM 686 CA ASN A 50 7.467 3.146 4.965 1.00 0.00 C ATOM 687 C ASN A 50 7.964 4.229 4.071 1.00 0.00 C ATOM 688 O ASN A 50 8.613 3.945 3.066 1.00 0.00 O ATOM 689 CB ASN A 50 8.628 2.808 5.940 1.00 0.00 C ATOM 690 CG ASN A 50 8.087 2.087 7.177 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.766 0.895 7.129 1.00 0.00 O ATOM 692 ND2 ASN A 50 7.972 2.822 8.323 1.00 0.00 N ATOM 0 H ASN A 50 7.876 1.744 3.489 1.00 0.00 H new ATOM 0 HA ASN A 50 6.609 3.374 5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.364 2.180 5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.140 3.723 6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.612 2.388 9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.246 3.804 8.328 1.00 0.00 H new ATOM 699 N ALA A 51 7.673 5.488 4.466 1.00 0.00 N ATOM 700 CA ALA A 51 8.207 6.713 3.933 1.00 0.00 C ATOM 701 C ALA A 51 7.634 7.011 2.585 1.00 0.00 C ATOM 702 O ALA A 51 8.369 7.195 1.621 1.00 0.00 O ATOM 703 CB ALA A 51 9.746 6.789 3.892 1.00 0.00 C ATOM 0 H ALA A 51 7.009 5.662 5.221 1.00 0.00 H new ATOM 0 HA ALA A 51 7.897 7.480 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.052 7.749 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.142 6.690 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.134 5.983 3.269 1.00 0.00 H new ATOM 709 N LEU A 52 6.290 7.100 2.499 1.00 0.00 N ATOM 710 CA LEU A 52 5.632 7.439 1.257 1.00 0.00 C ATOM 711 C LEU A 52 5.379 8.912 1.322 1.00 0.00 C ATOM 712 O LEU A 52 4.888 9.348 2.363 1.00 0.00 O ATOM 713 CB LEU A 52 4.254 6.768 1.055 1.00 0.00 C ATOM 714 CG LEU A 52 4.345 5.282 0.656 1.00 0.00 C ATOM 715 CD1 LEU A 52 2.969 4.606 0.768 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.923 5.095 -0.759 1.00 0.00 C ATOM 0 H LEU A 52 5.657 6.939 3.282 1.00 0.00 H new ATOM 0 HA LEU A 52 6.272 7.105 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.679 6.854 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.705 7.310 0.285 1.00 0.00 H new ATOM 0 HG LEU A 52 5.033 4.803 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.054 3.558 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.613 4.674 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.263 5.106 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.968 4.032 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.284 5.601 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.926 5.519 -0.801 1.00 0.00 H new ATOM 728 N PRO A 53 5.657 9.722 0.310 1.00 0.00 N ATOM 729 CA PRO A 53 5.348 11.136 0.351 1.00 0.00 C ATOM 730 C PRO A 53 3.864 11.379 0.241 1.00 0.00 C ATOM 731 O PRO A 53 3.083 10.459 0.004 1.00 0.00 O ATOM 732 CB PRO A 53 6.064 11.728 -0.875 1.00 0.00 C ATOM 733 CG PRO A 53 7.161 10.718 -1.219 1.00 0.00 C ATOM 734 CD PRO A 53 6.537 9.384 -0.811 1.00 0.00 C ATOM 0 HA PRO A 53 5.667 11.586 1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.374 11.861 -1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.486 12.708 -0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.412 10.739 -2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.081 10.918 -0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.979 8.938 -1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.299 8.663 -0.515 1.00 0.00 H new ATOM 742 N ASP A 54 3.462 12.649 0.374 1.00 0.00 N ATOM 743 CA ASP A 54 2.074 13.047 0.362 1.00 0.00 C ATOM 744 C ASP A 54 1.493 13.175 -1.027 1.00 0.00 C ATOM 745 O ASP A 54 0.429 13.769 -1.194 1.00 0.00 O ATOM 746 CB ASP A 54 1.898 14.419 1.047 1.00 0.00 C ATOM 747 CG ASP A 54 2.400 14.364 2.490 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.772 13.642 3.309 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.423 15.036 2.790 1.00 0.00 O ATOM 0 H ASP A 54 4.109 13.428 0.494 1.00 0.00 H new ATOM 0 HA ASP A 54 1.548 12.254 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.446 15.182 0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.847 14.708 1.032 1.00 0.00 H new ATOM 754 N ASN A 55 2.148 12.612 -2.067 1.00 0.00 N ATOM 755 CA ASN A 55 1.565 12.548 -3.392 1.00 0.00 C ATOM 756 C ASN A 55 0.970 11.180 -3.575 1.00 0.00 C ATOM 757 O ASN A 55 0.354 10.901 -4.601 1.00 0.00 O ATOM 758 CB ASN A 55 2.556 12.846 -4.562 1.00 0.00 C ATOM 759 CG ASN A 55 3.622 11.752 -4.745 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.353 11.441 -3.800 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.690 11.137 -5.960 1.00 0.00 N ATOM 0 H ASN A 55 3.079 12.201 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 55 0.815 13.338 -3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.992 12.954 -5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.051 13.799 -4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.365 10.388 -6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.066 11.426 -6.714 1.00 0.00 H new ATOM 768 N VAL A 56 1.175 10.286 -2.587 1.00 0.00 N ATOM 769 CA VAL A 56 0.740 8.919 -2.642 1.00 0.00 C ATOM 770 C VAL A 56 -0.481 8.918 -1.763 1.00 0.00 C ATOM 771 O VAL A 56 -0.744 9.901 -1.071 1.00 0.00 O ATOM 772 CB VAL A 56 1.814 7.945 -2.152 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.551 6.534 -2.724 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.201 8.479 -2.585 1.00 0.00 C ATOM 0 H VAL A 56 1.659 10.521 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 56 0.532 8.580 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 56 1.787 7.869 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.321 5.848 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.573 6.184 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.573 6.573 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.977 7.795 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.238 8.556 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.365 9.463 -2.146 1.00 0.00 H new ATOM 784 N GLY A 57 -1.265 7.826 -1.760 1.00 0.00 N ATOM 785 CA GLY A 57 -2.458 7.717 -0.984 1.00 0.00 C ATOM 786 C GLY A 57 -2.385 6.282 -0.628 1.00 0.00 C ATOM 787 O GLY A 57 -1.644 5.531 -1.268 1.00 0.00 O ATOM 0 H GLY A 57 -1.062 6.994 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.450 8.367 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.353 7.962 -1.555 1.00 0.00 H new ATOM 791 N ILE A 58 -3.107 5.872 0.427 1.00 0.00 N ATOM 792 CA ILE A 58 -2.870 4.627 1.094 1.00 0.00 C ATOM 793 C ILE A 58 -4.241 4.192 1.489 1.00 0.00 C ATOM 794 O ILE A 58 -5.208 4.725 0.948 1.00 0.00 O ATOM 795 CB ILE A 58 -1.958 4.769 2.305 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.415 5.883 3.272 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.512 5.002 1.813 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.634 5.832 4.582 1.00 0.00 C ATOM 0 H ILE A 58 -3.872 6.415 0.827 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.351 3.910 0.458 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.007 3.846 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.277 6.856 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.480 5.776 3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.152 5.106 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.193 4.154 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.474 5.911 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.978 6.628 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.794 4.867 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.572 5.964 4.378 1.00 0.00 H new ATOM 810 N ILE A 59 -4.376 3.211 2.423 1.00 0.00 N ATOM 811 CA ILE A 59 -5.673 2.731 2.843 1.00 0.00 C ATOM 812 C ILE A 59 -6.281 3.838 3.651 1.00 0.00 C ATOM 813 O ILE A 59 -5.646 4.363 4.564 1.00 0.00 O ATOM 814 CB ILE A 59 -5.701 1.478 3.723 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.509 0.523 3.523 1.00 0.00 C ATOM 816 CG2 ILE A 59 -7.055 0.761 3.525 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.303 -0.045 2.125 1.00 0.00 C ATOM 0 H ILE A 59 -3.589 2.754 2.884 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.198 2.451 1.930 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.596 1.808 4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.600 1.051 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.625 -0.312 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.087 -0.134 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.866 1.431 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.168 0.479 2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.432 -0.700 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.185 -0.613 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.144 0.771 1.420 1.00 0.00 H new ATOM 829 N VAL A 60 -7.515 4.227 3.315 1.00 0.00 N ATOM 830 CA VAL A 60 -8.218 5.265 4.002 1.00 0.00 C ATOM 831 C VAL A 60 -9.262 4.498 4.771 1.00 0.00 C ATOM 832 O VAL A 60 -10.213 3.955 4.206 1.00 0.00 O ATOM 833 CB VAL A 60 -8.775 6.295 3.033 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.476 7.433 3.783 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.619 6.830 2.159 1.00 0.00 C ATOM 0 H VAL A 60 -8.042 3.812 2.547 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.600 5.872 4.664 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.524 5.827 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.865 8.156 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.298 7.028 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.764 7.926 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.005 7.571 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.865 7.292 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.170 6.006 1.605 1.00 0.00 H new