USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 261 hydrogens (2 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 25 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 1 GLU N :NH3+ 166:sc= 0.138 (180deg=0.0828) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 15 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.1 K(o=0.1,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.011 7.999 -3.274 1.00 0.00 N ATOM 2 CA GLU A 1 8.780 8.444 -2.554 1.00 0.00 C ATOM 3 C GLU A 1 7.755 7.304 -2.504 1.00 0.00 C ATOM 4 O GLU A 1 7.154 6.952 -3.503 1.00 0.00 O ATOM 5 CB GLU A 1 8.236 9.623 -3.370 1.00 0.00 C ATOM 6 CG GLU A 1 8.913 10.920 -2.917 1.00 0.00 C ATOM 7 CD GLU A 1 9.955 11.346 -3.955 1.00 0.00 C ATOM 8 OE1 GLU A 1 11.093 10.925 -3.829 1.00 0.00 O ATOM 9 OE2 GLU A 1 9.596 12.085 -4.857 1.00 0.00 O ATOM 0 H1 GLU A 1 10.593 8.828 -3.511 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.556 7.356 -2.665 1.00 0.00 H new ATOM 0 H3 GLU A 1 9.742 7.504 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 1 8.989 8.730 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.418 9.458 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.157 9.700 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.168 11.706 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 1 9.389 10.774 -1.948 1.00 0.00 H new ATOM 18 N CYS A 2 7.554 6.723 -1.346 1.00 0.00 N ATOM 19 CA CYS A 2 6.570 5.603 -1.222 1.00 0.00 C ATOM 20 C CYS A 2 5.853 5.666 0.134 1.00 0.00 C ATOM 21 O CYS A 2 6.086 6.559 0.930 1.00 0.00 O ATOM 22 CB CYS A 2 7.406 4.321 -1.336 1.00 0.00 C ATOM 23 SG CYS A 2 8.410 4.105 0.157 1.00 0.00 S ATOM 0 H CYS A 2 8.030 6.977 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 2 5.795 5.651 -1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.751 3.460 -1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.050 4.373 -2.214 1.00 0.00 H new ATOM 28 N LEU A 3 4.983 4.723 0.400 1.00 0.00 N ATOM 29 CA LEU A 3 4.246 4.717 1.700 1.00 0.00 C ATOM 30 C LEU A 3 4.721 3.548 2.572 1.00 0.00 C ATOM 31 O LEU A 3 5.052 2.487 2.075 1.00 0.00 O ATOM 32 CB LEU A 3 2.770 4.543 1.324 1.00 0.00 C ATOM 33 CG LEU A 3 2.280 5.776 0.560 1.00 0.00 C ATOM 34 CD1 LEU A 3 0.927 5.473 -0.088 1.00 0.00 C ATOM 35 CD2 LEU A 3 2.128 6.952 1.528 1.00 0.00 C ATOM 0 H LEU A 3 4.751 3.955 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 3 4.413 5.629 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.644 3.650 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.171 4.399 2.223 1.00 0.00 H new ATOM 0 HG LEU A 3 3.004 6.033 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.579 6.351 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.034 4.637 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.203 5.214 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.779 7.829 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.405 6.695 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.091 7.171 1.989 1.00 0.00 H new ATOM 47 N GLY A 4 4.755 3.738 3.869 1.00 0.00 N ATOM 48 CA GLY A 4 5.209 2.644 4.782 1.00 0.00 C ATOM 49 C GLY A 4 4.114 1.578 4.910 1.00 0.00 C ATOM 50 O GLY A 4 3.058 1.683 4.315 1.00 0.00 O ATOM 0 H GLY A 4 4.487 4.605 4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.123 2.193 4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.446 3.054 5.764 1.00 0.00 H new ATOM 54 N PHE A 5 4.363 0.551 5.685 1.00 0.00 N ATOM 55 CA PHE A 5 3.341 -0.527 5.859 1.00 0.00 C ATOM 56 C PHE A 5 2.200 -0.039 6.761 1.00 0.00 C ATOM 57 O PHE A 5 2.427 0.576 7.787 1.00 0.00 O ATOM 58 CB PHE A 5 4.093 -1.693 6.515 1.00 0.00 C ATOM 59 CG PHE A 5 3.108 -2.741 6.985 1.00 0.00 C ATOM 60 CD1 PHE A 5 2.391 -3.501 6.051 1.00 0.00 C ATOM 61 CD2 PHE A 5 2.911 -2.950 8.355 1.00 0.00 C ATOM 62 CE1 PHE A 5 1.478 -4.467 6.489 1.00 0.00 C ATOM 63 CE2 PHE A 5 1.998 -3.918 8.792 1.00 0.00 C ATOM 64 CZ PHE A 5 1.282 -4.676 7.859 1.00 0.00 C ATOM 0 H PHE A 5 5.230 0.413 6.205 1.00 0.00 H new ATOM 0 HA PHE A 5 2.888 -0.821 4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.793 -2.132 5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.681 -1.330 7.358 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.543 -3.341 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.463 -2.365 9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.924 -5.052 5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.847 -4.079 9.849 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.578 -5.422 8.196 1.00 0.00 H new ATOM 74 N GLY A 6 0.978 -0.315 6.381 1.00 0.00 N ATOM 75 CA GLY A 6 -0.190 0.121 7.203 1.00 0.00 C ATOM 76 C GLY A 6 -0.320 1.648 7.164 1.00 0.00 C ATOM 77 O GLY A 6 -0.631 2.274 8.159 1.00 0.00 O ATOM 0 H GLY A 6 0.739 -0.827 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.103 -0.339 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.066 -0.215 8.232 1.00 0.00 H new ATOM 81 N LYS A 7 -0.089 2.249 6.022 1.00 0.00 N ATOM 82 CA LYS A 7 -0.203 3.735 5.914 1.00 0.00 C ATOM 83 C LYS A 7 -1.299 4.104 4.910 1.00 0.00 C ATOM 84 O LYS A 7 -1.578 3.361 3.988 1.00 0.00 O ATOM 85 CB LYS A 7 1.166 4.210 5.418 1.00 0.00 C ATOM 86 CG LYS A 7 2.178 4.155 6.567 1.00 0.00 C ATOM 87 CD LYS A 7 1.987 5.369 7.482 1.00 0.00 C ATOM 88 CE LYS A 7 2.338 4.986 8.923 1.00 0.00 C ATOM 89 NZ LYS A 7 2.195 6.247 9.708 1.00 0.00 N ATOM 0 H LYS A 7 0.174 1.773 5.159 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.469 4.199 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.503 3.582 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.092 5.227 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.047 3.235 7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.193 4.143 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.620 6.191 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.956 5.719 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.670 4.211 9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.352 4.593 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.420 6.062 10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.848 6.965 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.218 6.594 9.632 1.00 0.00 H new ATOM 103 N GLY A 8 -1.922 5.245 5.087 1.00 0.00 N ATOM 104 CA GLY A 8 -3.008 5.677 4.152 1.00 0.00 C ATOM 105 C GLY A 8 -2.509 5.611 2.706 1.00 0.00 C ATOM 106 O GLY A 8 -1.515 6.218 2.355 1.00 0.00 O ATOM 0 H GLY A 8 -1.723 5.899 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.881 5.036 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.323 6.693 4.391 1.00 0.00 H new ATOM 110 N CYS A 9 -3.192 4.869 1.870 1.00 0.00 N ATOM 111 CA CYS A 9 -2.763 4.747 0.445 1.00 0.00 C ATOM 112 C CYS A 9 -3.984 4.536 -0.459 1.00 0.00 C ATOM 113 O CYS A 9 -4.936 3.875 -0.089 1.00 0.00 O ATOM 114 CB CYS A 9 -1.848 3.517 0.417 1.00 0.00 C ATOM 115 SG CYS A 9 -1.619 2.959 -1.291 1.00 0.00 S ATOM 0 H CYS A 9 -4.030 4.342 2.115 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.256 5.642 0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.883 3.760 0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.282 2.716 1.016 1.00 0.00 H new ATOM 120 N ASN A 10 -3.955 5.085 -1.647 1.00 0.00 N ATOM 121 CA ASN A 10 -5.105 4.911 -2.585 1.00 0.00 C ATOM 122 C ASN A 10 -4.885 3.662 -3.451 1.00 0.00 C ATOM 123 O ASN A 10 -3.791 3.432 -3.926 1.00 0.00 O ATOM 124 CB ASN A 10 -5.112 6.173 -3.453 1.00 0.00 C ATOM 125 CG ASN A 10 -6.367 6.997 -3.153 1.00 0.00 C ATOM 126 OD1 ASN A 10 -7.473 6.543 -3.371 1.00 0.00 O ATOM 127 ND2 ASN A 10 -6.242 8.200 -2.659 1.00 0.00 N ATOM 0 H ASN A 10 -3.184 5.647 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.052 4.779 -2.061 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.219 6.767 -3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.087 5.901 -4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.072 8.757 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.314 8.582 -2.476 1.00 0.00 H new ATOM 134 N PRO A 11 -5.935 2.892 -3.629 1.00 0.00 N ATOM 135 CA PRO A 11 -5.840 1.652 -4.448 1.00 0.00 C ATOM 136 C PRO A 11 -5.612 1.991 -5.928 1.00 0.00 C ATOM 137 O PRO A 11 -4.934 1.269 -6.636 1.00 0.00 O ATOM 138 CB PRO A 11 -7.192 0.974 -4.232 1.00 0.00 C ATOM 139 CG PRO A 11 -8.119 2.081 -3.846 1.00 0.00 C ATOM 140 CD PRO A 11 -7.291 3.095 -3.101 1.00 0.00 C ATOM 0 HA PRO A 11 -5.003 1.014 -4.163 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.532 0.472 -5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.134 0.216 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.577 2.528 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.929 1.707 -3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.643 4.111 -3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.330 2.931 -2.024 1.00 0.00 H new ATOM 148 N SER A 12 -6.161 3.086 -6.398 1.00 0.00 N ATOM 149 CA SER A 12 -5.963 3.475 -7.828 1.00 0.00 C ATOM 150 C SER A 12 -4.528 3.975 -8.047 1.00 0.00 C ATOM 151 O SER A 12 -3.902 3.665 -9.043 1.00 0.00 O ATOM 152 CB SER A 12 -6.965 4.602 -8.080 1.00 0.00 C ATOM 153 OG SER A 12 -6.952 4.941 -9.460 1.00 0.00 O ATOM 0 H SER A 12 -6.737 3.726 -5.852 1.00 0.00 H new ATOM 0 HA SER A 12 -6.117 2.636 -8.507 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.965 4.289 -7.780 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.709 5.473 -7.477 1.00 0.00 H new ATOM 0 HG SER A 12 -7.594 5.662 -9.626 1.00 0.00 H new ATOM 159 N ASN A 13 -4.008 4.744 -7.121 1.00 0.00 N ATOM 160 CA ASN A 13 -2.613 5.268 -7.269 1.00 0.00 C ATOM 161 C ASN A 13 -1.594 4.205 -6.841 1.00 0.00 C ATOM 162 O ASN A 13 -0.575 4.025 -7.481 1.00 0.00 O ATOM 163 CB ASN A 13 -2.542 6.488 -6.343 1.00 0.00 C ATOM 164 CG ASN A 13 -3.088 7.719 -7.072 1.00 0.00 C ATOM 165 OD1 ASN A 13 -4.279 7.831 -7.289 1.00 0.00 O ATOM 166 ND2 ASN A 13 -2.265 8.656 -7.460 1.00 0.00 N ATOM 0 H ASN A 13 -4.489 5.032 -6.269 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.381 5.528 -8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.119 6.304 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.511 6.663 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.622 9.480 -7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.265 8.564 -7.279 1.00 0.00 H new ATOM 173 N ASP A 14 -1.868 3.506 -5.765 1.00 0.00 N ATOM 174 CA ASP A 14 -0.932 2.446 -5.267 1.00 0.00 C ATOM 175 C ASP A 14 0.482 3.017 -5.090 1.00 0.00 C ATOM 176 O ASP A 14 1.373 2.760 -5.880 1.00 0.00 O ATOM 177 CB ASP A 14 -0.957 1.348 -6.339 1.00 0.00 C ATOM 178 CG ASP A 14 -1.350 0.017 -5.695 1.00 0.00 C ATOM 179 OD1 ASP A 14 -2.538 -0.250 -5.613 1.00 0.00 O ATOM 180 OD2 ASP A 14 -0.457 -0.713 -5.296 1.00 0.00 O ATOM 0 H ASP A 14 -2.711 3.626 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.231 2.059 -4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.666 1.608 -7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.022 1.262 -6.810 1.00 0.00 H new ATOM 185 N GLN A 15 0.691 3.795 -4.056 1.00 0.00 N ATOM 186 CA GLN A 15 2.043 4.391 -3.824 1.00 0.00 C ATOM 187 C GLN A 15 2.775 3.662 -2.686 1.00 0.00 C ATOM 188 O GLN A 15 3.608 4.237 -2.012 1.00 0.00 O ATOM 189 CB GLN A 15 1.772 5.850 -3.443 1.00 0.00 C ATOM 190 CG GLN A 15 1.631 6.693 -4.713 1.00 0.00 C ATOM 191 CD GLN A 15 1.289 8.135 -4.333 1.00 0.00 C ATOM 192 OE1 GLN A 15 2.162 8.909 -3.991 1.00 0.00 O ATOM 193 NE2 GLN A 15 0.045 8.533 -4.377 1.00 0.00 N ATOM 0 H GLN A 15 -0.016 4.043 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 15 2.681 4.307 -4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.862 5.918 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.586 6.233 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.559 6.667 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.851 6.279 -5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.688 7.884 -4.664 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.193 9.492 -4.125 1.00 0.00 H new ATOM 202 N CYS A 16 2.480 2.401 -2.472 1.00 0.00 N ATOM 203 CA CYS A 16 3.170 1.644 -1.382 1.00 0.00 C ATOM 204 C CYS A 16 4.639 1.405 -1.756 1.00 0.00 C ATOM 205 O CYS A 16 4.999 1.403 -2.920 1.00 0.00 O ATOM 206 CB CYS A 16 2.420 0.314 -1.271 1.00 0.00 C ATOM 207 SG CYS A 16 0.805 0.585 -0.495 1.00 0.00 S ATOM 0 H CYS A 16 1.793 1.866 -3.004 1.00 0.00 H new ATOM 0 HA CYS A 16 3.164 2.188 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.290 -0.124 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.002 -0.395 -0.682 1.00 0.00 H new ATOM 212 N CYS A 17 5.487 1.210 -0.778 1.00 0.00 N ATOM 213 CA CYS A 17 6.935 0.976 -1.073 1.00 0.00 C ATOM 214 C CYS A 17 7.149 -0.446 -1.608 1.00 0.00 C ATOM 215 O CYS A 17 6.970 -1.421 -0.901 1.00 0.00 O ATOM 216 CB CYS A 17 7.657 1.172 0.264 1.00 0.00 C ATOM 217 SG CYS A 17 9.115 2.216 0.016 1.00 0.00 S ATOM 0 H CYS A 17 5.240 1.203 0.212 1.00 0.00 H new ATOM 0 HA CYS A 17 7.313 1.656 -1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.985 1.633 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.953 0.207 0.674 1.00 0.00 H new ATOM 222 N LYS A 18 7.532 -0.565 -2.857 1.00 0.00 N ATOM 223 CA LYS A 18 7.763 -1.919 -3.456 1.00 0.00 C ATOM 224 C LYS A 18 9.017 -2.568 -2.856 1.00 0.00 C ATOM 225 O LYS A 18 9.099 -3.776 -2.742 1.00 0.00 O ATOM 226 CB LYS A 18 7.958 -1.670 -4.954 1.00 0.00 C ATOM 227 CG LYS A 18 6.600 -1.435 -5.618 1.00 0.00 C ATOM 228 CD LYS A 18 5.921 -2.778 -5.897 1.00 0.00 C ATOM 229 CE LYS A 18 4.716 -2.559 -6.816 1.00 0.00 C ATOM 230 NZ LYS A 18 3.786 -3.685 -6.516 1.00 0.00 N ATOM 0 H LYS A 18 7.695 0.219 -3.489 1.00 0.00 H new ATOM 0 HA LYS A 18 6.931 -2.596 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.603 -0.805 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.455 -2.525 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.969 -0.825 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.730 -0.883 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.627 -3.465 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.600 -3.237 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.243 -1.596 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.014 -2.563 -7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.936 -3.601 -7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.260 -4.589 -6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.513 -3.652 -5.513 1.00 0.00 H new ATOM 244 N SER A 19 9.989 -1.774 -2.469 1.00 0.00 N ATOM 245 CA SER A 19 11.240 -2.341 -1.869 1.00 0.00 C ATOM 246 C SER A 19 10.910 -3.138 -0.600 1.00 0.00 C ATOM 247 O SER A 19 11.550 -4.128 -0.299 1.00 0.00 O ATOM 248 CB SER A 19 12.105 -1.128 -1.526 1.00 0.00 C ATOM 249 OG SER A 19 12.638 -0.576 -2.723 1.00 0.00 O ATOM 0 H SER A 19 9.969 -0.757 -2.543 1.00 0.00 H new ATOM 0 HA SER A 19 11.747 -3.024 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.511 -0.380 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.913 -1.421 -0.856 1.00 0.00 H new ATOM 0 HG SER A 19 13.192 0.203 -2.506 1.00 0.00 H new ATOM 255 N SER A 20 9.910 -2.718 0.140 1.00 0.00 N ATOM 256 CA SER A 20 9.530 -3.453 1.385 1.00 0.00 C ATOM 257 C SER A 20 8.313 -4.359 1.129 1.00 0.00 C ATOM 258 O SER A 20 7.602 -4.721 2.049 1.00 0.00 O ATOM 259 CB SER A 20 9.183 -2.359 2.397 1.00 0.00 C ATOM 260 OG SER A 20 10.385 -1.827 2.941 1.00 0.00 O ATOM 0 H SER A 20 9.341 -1.897 -0.067 1.00 0.00 H new ATOM 0 HA SER A 20 10.331 -4.101 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.608 -1.569 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.559 -2.767 3.192 1.00 0.00 H new ATOM 0 HG SER A 20 10.168 -1.124 3.589 1.00 0.00 H new ATOM 266 N ASN A 21 8.073 -4.731 -0.114 1.00 0.00 N ATOM 267 CA ASN A 21 6.908 -5.615 -0.446 1.00 0.00 C ATOM 268 C ASN A 21 5.607 -5.038 0.133 1.00 0.00 C ATOM 269 O ASN A 21 5.062 -5.546 1.098 1.00 0.00 O ATOM 270 CB ASN A 21 7.240 -6.974 0.185 1.00 0.00 C ATOM 271 CG ASN A 21 6.236 -8.026 -0.297 1.00 0.00 C ATOM 272 OD1 ASN A 21 5.293 -8.344 0.400 1.00 0.00 O ATOM 273 ND2 ASN A 21 6.402 -8.585 -1.465 1.00 0.00 N ATOM 0 H ASN A 21 8.641 -4.456 -0.915 1.00 0.00 H new ATOM 0 HA ASN A 21 6.752 -5.700 -1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.253 -7.273 -0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.209 -6.899 1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.740 -9.289 -1.792 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.194 -8.318 -2.050 1.00 0.00 H new ATOM 280 N LEU A 22 5.108 -3.976 -0.451 1.00 0.00 N ATOM 281 CA LEU A 22 3.846 -3.359 0.059 1.00 0.00 C ATOM 282 C LEU A 22 2.854 -3.141 -1.088 1.00 0.00 C ATOM 283 O LEU A 22 3.206 -2.646 -2.143 1.00 0.00 O ATOM 284 CB LEU A 22 4.267 -2.016 0.663 1.00 0.00 C ATOM 285 CG LEU A 22 5.001 -2.247 1.987 1.00 0.00 C ATOM 286 CD1 LEU A 22 5.747 -0.972 2.386 1.00 0.00 C ATOM 287 CD2 LEU A 22 3.988 -2.605 3.078 1.00 0.00 C ATOM 0 H LEU A 22 5.521 -3.510 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 22 3.350 -3.997 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.914 -1.481 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.390 -1.391 0.828 1.00 0.00 H new ATOM 0 HG LEU A 22 5.713 -3.064 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.270 -1.136 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.469 -0.715 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.035 -0.155 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.511 -2.769 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.276 -1.788 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.455 -3.513 2.796 1.00 0.00 H new ATOM 299 N VAL A 23 1.612 -3.499 -0.879 1.00 0.00 N ATOM 300 CA VAL A 23 0.574 -3.311 -1.940 1.00 0.00 C ATOM 301 C VAL A 23 -0.626 -2.553 -1.359 1.00 0.00 C ATOM 302 O VAL A 23 -1.040 -2.795 -0.241 1.00 0.00 O ATOM 303 CB VAL A 23 0.165 -4.726 -2.386 1.00 0.00 C ATOM 304 CG1 VAL A 23 1.317 -5.370 -3.162 1.00 0.00 C ATOM 305 CG2 VAL A 23 -0.170 -5.594 -1.166 1.00 0.00 C ATOM 0 H VAL A 23 1.270 -3.916 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 23 0.948 -2.729 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.716 -4.652 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.027 -6.372 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.548 -4.765 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.197 -5.431 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.458 -6.592 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.704 -5.664 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.995 -5.143 -0.614 1.00 0.00 H new ATOM 315 N CYS A 24 -1.179 -1.630 -2.106 1.00 0.00 N ATOM 316 CA CYS A 24 -2.346 -0.849 -1.588 1.00 0.00 C ATOM 317 C CYS A 24 -3.620 -1.701 -1.597 1.00 0.00 C ATOM 318 O CYS A 24 -3.790 -2.575 -2.428 1.00 0.00 O ATOM 319 CB CYS A 24 -2.492 0.342 -2.534 1.00 0.00 C ATOM 320 SG CYS A 24 -3.193 1.738 -1.624 1.00 0.00 S ATOM 0 H CYS A 24 -0.875 -1.384 -3.048 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.190 -0.532 -0.557 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.522 0.613 -2.950 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.136 0.079 -3.373 1.00 0.00 H new ATOM 325 N SER A 25 -4.514 -1.448 -0.673 1.00 0.00 N ATOM 326 CA SER A 25 -5.785 -2.233 -0.609 1.00 0.00 C ATOM 327 C SER A 25 -6.985 -1.338 -0.946 1.00 0.00 C ATOM 328 O SER A 25 -6.881 -0.124 -0.967 1.00 0.00 O ATOM 329 CB SER A 25 -5.872 -2.720 0.839 1.00 0.00 C ATOM 330 OG SER A 25 -6.287 -4.080 0.851 1.00 0.00 O ATOM 0 H SER A 25 -4.417 -0.728 0.043 1.00 0.00 H new ATOM 0 HA SER A 25 -5.797 -3.057 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.903 -2.619 1.328 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.578 -2.107 1.400 1.00 0.00 H new ATOM 0 HG SER A 25 -6.190 -4.444 1.756 1.00 0.00 H new ATOM 336 N ARG A 26 -8.124 -1.932 -1.205 1.00 0.00 N ATOM 337 CA ARG A 26 -9.340 -1.126 -1.537 1.00 0.00 C ATOM 338 C ARG A 26 -10.218 -0.954 -0.291 1.00 0.00 C ATOM 339 O ARG A 26 -10.670 0.134 0.011 1.00 0.00 O ATOM 340 CB ARG A 26 -10.082 -1.935 -2.603 1.00 0.00 C ATOM 341 CG ARG A 26 -10.024 -1.196 -3.941 1.00 0.00 C ATOM 342 CD ARG A 26 -10.548 -2.109 -5.054 1.00 0.00 C ATOM 343 NE ARG A 26 -9.332 -2.732 -5.652 1.00 0.00 N ATOM 344 CZ ARG A 26 -8.704 -3.686 -5.015 1.00 0.00 C ATOM 345 NH1 ARG A 26 -9.230 -4.882 -4.944 1.00 0.00 N ATOM 346 NH2 ARG A 26 -7.551 -3.441 -4.447 1.00 0.00 N ATOM 0 H ARG A 26 -8.264 -2.942 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.084 -0.127 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.633 -2.923 -2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.119 -2.085 -2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.622 -0.286 -3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.999 -0.893 -4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.224 -2.866 -4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.107 -1.542 -5.798 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.990 -2.414 -6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.130 -5.070 -5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.740 -5.626 -4.447 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.144 -2.507 -4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.059 -4.184 -3.950 1.00 0.00 H new ATOM 360 N LYS A 27 -10.459 -2.021 0.434 1.00 0.00 N ATOM 361 CA LYS A 27 -11.306 -1.923 1.665 1.00 0.00 C ATOM 362 C LYS A 27 -10.520 -1.251 2.798 1.00 0.00 C ATOM 363 O LYS A 27 -11.067 -0.490 3.573 1.00 0.00 O ATOM 364 CB LYS A 27 -11.652 -3.370 2.034 1.00 0.00 C ATOM 365 CG LYS A 27 -13.106 -3.665 1.652 1.00 0.00 C ATOM 366 CD LYS A 27 -13.966 -3.750 2.917 1.00 0.00 C ATOM 367 CE LYS A 27 -14.625 -5.132 2.998 1.00 0.00 C ATOM 368 NZ LYS A 27 -15.634 -5.019 4.091 1.00 0.00 N ATOM 0 H LYS A 27 -10.106 -2.955 0.226 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.201 -1.323 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.983 -4.058 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.507 -3.528 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.485 -2.882 0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.164 -4.602 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.351 -3.577 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.729 -2.972 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.097 -5.400 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.890 -5.907 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.126 -5.928 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.156 -4.770 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.325 -4.279 3.851 1.00 0.00 H new ATOM 382 N HIS A 28 -9.242 -1.522 2.893 1.00 0.00 N ATOM 383 CA HIS A 28 -8.414 -0.895 3.971 1.00 0.00 C ATOM 384 C HIS A 28 -7.822 0.437 3.487 1.00 0.00 C ATOM 385 O HIS A 28 -7.458 1.281 4.285 1.00 0.00 O ATOM 386 CB HIS A 28 -7.297 -1.902 4.262 1.00 0.00 C ATOM 387 CG HIS A 28 -7.887 -3.185 4.784 1.00 0.00 C ATOM 388 ND1 HIS A 28 -8.727 -3.220 5.887 1.00 0.00 N ATOM 389 CD2 HIS A 28 -7.767 -4.487 4.364 1.00 0.00 C ATOM 390 CE1 HIS A 28 -9.077 -4.504 6.090 1.00 0.00 C ATOM 391 NE2 HIS A 28 -8.519 -5.317 5.190 1.00 0.00 N ATOM 0 H HIS A 28 -8.735 -2.151 2.270 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.005 -0.675 4.860 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.726 -2.097 3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.603 -1.487 4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.178 -4.817 3.521 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.730 -4.836 6.884 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.622 -6.330 5.122 1.00 0.00 H new ATOM 399 N ARG A 29 -7.725 0.629 2.186 1.00 0.00 N ATOM 400 CA ARG A 29 -7.159 1.903 1.632 1.00 0.00 C ATOM 401 C ARG A 29 -5.787 2.203 2.253 1.00 0.00 C ATOM 402 O ARG A 29 -5.497 3.325 2.627 1.00 0.00 O ATOM 403 CB ARG A 29 -8.175 2.993 1.999 1.00 0.00 C ATOM 404 CG ARG A 29 -9.357 2.939 1.027 1.00 0.00 C ATOM 405 CD ARG A 29 -10.528 3.746 1.597 1.00 0.00 C ATOM 406 NE ARG A 29 -10.194 5.171 1.311 1.00 0.00 N ATOM 407 CZ ARG A 29 -10.719 5.773 0.276 1.00 0.00 C ATOM 408 NH1 ARG A 29 -11.904 6.319 0.370 1.00 0.00 N ATOM 409 NH2 ARG A 29 -10.058 5.831 -0.851 1.00 0.00 N ATOM 0 H ARG A 29 -8.017 -0.049 1.482 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.004 1.843 0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.525 2.850 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.702 3.974 1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.063 3.341 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.660 1.905 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.469 3.460 1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.641 3.575 2.668 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.555 5.677 1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.417 6.275 1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.314 6.789 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.133 5.407 -0.922 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.467 6.301 -1.659 1.00 0.00 H new ATOM 423 N TRP A 30 -4.942 1.207 2.362 1.00 0.00 N ATOM 424 CA TRP A 30 -3.588 1.434 2.955 1.00 0.00 C ATOM 425 C TRP A 30 -2.564 0.446 2.373 1.00 0.00 C ATOM 426 O TRP A 30 -2.878 -0.343 1.500 1.00 0.00 O ATOM 427 CB TRP A 30 -3.773 1.244 4.473 1.00 0.00 C ATOM 428 CG TRP A 30 -3.904 -0.210 4.849 1.00 0.00 C ATOM 429 CD1 TRP A 30 -4.201 -1.230 4.006 1.00 0.00 C ATOM 430 CD2 TRP A 30 -3.750 -0.809 6.167 1.00 0.00 C ATOM 431 NE1 TRP A 30 -4.229 -2.412 4.724 1.00 0.00 N ATOM 432 CE2 TRP A 30 -3.960 -2.204 6.061 1.00 0.00 C ATOM 433 CE3 TRP A 30 -3.449 -0.280 7.434 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -3.875 -3.044 7.172 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -3.363 -1.121 8.555 1.00 0.00 C ATOM 436 CH2 TRP A 30 -3.575 -2.501 8.424 1.00 0.00 C ATOM 0 H TRP A 30 -5.131 0.249 2.067 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.199 2.427 2.728 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.923 1.679 4.999 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.661 1.784 4.800 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.386 -1.135 2.946 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.425 -3.326 4.315 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -3.283 0.781 7.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.040 -4.106 7.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.132 -0.703 9.524 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.506 -3.143 9.290 1.00 0.00 H new ATOM 447 N CYS A 31 -1.344 0.482 2.854 1.00 0.00 N ATOM 448 CA CYS A 31 -0.306 -0.459 2.332 1.00 0.00 C ATOM 449 C CYS A 31 -0.336 -1.764 3.134 1.00 0.00 C ATOM 450 O CYS A 31 -0.450 -1.756 4.346 1.00 0.00 O ATOM 451 CB CYS A 31 1.033 0.258 2.518 1.00 0.00 C ATOM 452 SG CYS A 31 1.228 1.530 1.242 1.00 0.00 S ATOM 0 H CYS A 31 -1.024 1.120 3.583 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.475 -0.718 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.079 0.712 3.508 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.852 -0.459 2.458 1.00 0.00 H new ATOM 457 N LYS A 32 -0.242 -2.883 2.464 1.00 0.00 N ATOM 458 CA LYS A 32 -0.270 -4.194 3.178 1.00 0.00 C ATOM 459 C LYS A 32 0.830 -5.119 2.643 1.00 0.00 C ATOM 460 O LYS A 32 1.353 -4.917 1.563 1.00 0.00 O ATOM 461 CB LYS A 32 -1.655 -4.773 2.874 1.00 0.00 C ATOM 462 CG LYS A 32 -2.055 -5.750 3.981 1.00 0.00 C ATOM 463 CD LYS A 32 -3.579 -5.900 4.011 1.00 0.00 C ATOM 464 CE LYS A 32 -3.961 -7.342 3.661 1.00 0.00 C ATOM 465 NZ LYS A 32 -5.362 -7.505 4.146 1.00 0.00 N ATOM 0 H LYS A 32 -0.147 -2.945 1.450 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.094 -4.086 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.388 -3.970 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.644 -5.283 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.588 -6.720 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.696 -5.389 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.960 -5.642 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.036 -5.210 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.893 -7.518 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.292 -8.055 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.691 -8.470 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.396 -7.339 5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.978 -6.819 3.664 1.00 0.00 H new ATOM 479 N TYR A 33 1.179 -6.136 3.391 1.00 0.00 N ATOM 480 CA TYR A 33 2.240 -7.082 2.930 1.00 0.00 C ATOM 481 C TYR A 33 1.624 -8.181 2.054 1.00 0.00 C ATOM 482 O TYR A 33 0.491 -8.582 2.251 1.00 0.00 O ATOM 483 CB TYR A 33 2.832 -7.677 4.212 1.00 0.00 C ATOM 484 CG TYR A 33 4.162 -8.325 3.902 1.00 0.00 C ATOM 485 CD1 TYR A 33 5.302 -7.534 3.712 1.00 0.00 C ATOM 486 CD2 TYR A 33 4.253 -9.719 3.806 1.00 0.00 C ATOM 487 CE1 TYR A 33 6.531 -8.137 3.423 1.00 0.00 C ATOM 488 CE2 TYR A 33 5.482 -10.321 3.518 1.00 0.00 C ATOM 489 CZ TYR A 33 6.621 -9.531 3.327 1.00 0.00 C ATOM 490 OH TYR A 33 7.833 -10.125 3.041 1.00 0.00 O ATOM 0 H TYR A 33 0.774 -6.352 4.302 1.00 0.00 H new ATOM 0 HA TYR A 33 3.001 -6.587 2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.962 -6.896 4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.147 -8.412 4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.232 -6.459 3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.374 -10.329 3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.410 -7.527 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.552 -11.396 3.443 1.00 0.00 H new ATOM 0 HH TYR A 33 7.721 -11.098 3.012 1.00 0.00 H new ATOM 500 N GLU A 34 2.362 -8.666 1.088 1.00 0.00 N ATOM 501 CA GLU A 34 1.822 -9.736 0.192 1.00 0.00 C ATOM 502 C GLU A 34 1.830 -11.093 0.909 1.00 0.00 C ATOM 503 O GLU A 34 2.314 -11.218 2.020 1.00 0.00 O ATOM 504 CB GLU A 34 2.763 -9.761 -1.014 1.00 0.00 C ATOM 505 CG GLU A 34 2.591 -8.473 -1.828 1.00 0.00 C ATOM 506 CD GLU A 34 3.057 -8.706 -3.267 1.00 0.00 C ATOM 507 OE1 GLU A 34 2.241 -9.122 -4.074 1.00 0.00 O ATOM 508 OE2 GLU A 34 4.221 -8.463 -3.539 1.00 0.00 O ATOM 0 H GLU A 34 3.315 -8.368 0.880 1.00 0.00 H new ATOM 0 HA GLU A 34 0.790 -9.541 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.796 -9.857 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.548 -10.629 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.546 -8.163 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.167 -7.666 -1.375 1.00 0.00 H new ATOM 515 N ILE A 35 1.296 -12.110 0.278 1.00 0.00 N ATOM 516 CA ILE A 35 1.268 -13.468 0.915 1.00 0.00 C ATOM 517 C ILE A 35 2.677 -14.086 0.952 1.00 0.00 C ATOM 518 O ILE A 35 3.392 -13.679 0.047 1.00 0.00 O ATOM 519 CB ILE A 35 0.327 -14.317 0.045 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.812 -14.320 -1.413 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.092 -13.743 0.107 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.366 -15.612 -2.100 1.00 0.00 C ATOM 0 H ILE A 35 0.878 -12.061 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 35 0.924 -13.416 1.948 1.00 0.00 H new ATOM 0 HB ILE A 35 0.325 -15.339 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.409 -13.457 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.898 -14.235 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.756 -14.347 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.445 -13.755 1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.086 -12.717 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.711 -15.612 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.791 -16.468 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.722 -15.678 -2.080 1.00 0.00 H new HETATM 534 N NH2 A 36 3.130 -13.952 2.179 1.00 0.00 N TER 537 NH2 A 36