USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 137 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 6 LYS NZ :NH3+ 135:sc= 1.33 (180deg=-0.086) USER MOD Single : A 10 LYS NZ :NH3+ 161:sc=-0.00132 (180deg=-0.133) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -5 K(o=-5,f=-8!) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.74! C(o=-1.7!,f=-6.5!) USER MOD Single : A 21 CYS SG : rot 48:sc= 0.0292 USER MOD Single : A 24 SER OG : rot 180:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 6 4.916 -5.944 2.800 1.00 0.00 N ATOM 67 CA LYS A 6 3.852 -6.991 2.808 1.00 0.00 C ATOM 68 C LYS A 6 3.705 -7.595 1.406 1.00 0.00 C ATOM 69 O LYS A 6 4.109 -8.718 1.160 1.00 0.00 O ATOM 70 CB LYS A 6 2.569 -6.261 3.237 1.00 0.00 C ATOM 71 CG LYS A 6 2.735 -5.718 4.662 1.00 0.00 C ATOM 72 CD LYS A 6 1.676 -6.344 5.578 1.00 0.00 C ATOM 73 CE LYS A 6 2.274 -6.600 6.966 1.00 0.00 C ATOM 74 NZ LYS A 6 1.122 -6.559 7.911 1.00 0.00 N ATOM 0 HA LYS A 6 4.081 -7.816 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.357 -5.443 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.720 -6.943 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.734 -5.946 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.635 -4.633 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.815 -5.681 5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.318 -7.280 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.778 -7.566 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.016 -5.843 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.189 -7.356 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.139 -5.664 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.232 -6.628 7.377 1.00 0.00 H new ATOM 88 N ALA A 7 3.136 -6.856 0.491 1.00 0.00 N ATOM 89 CA ALA A 7 2.951 -7.360 -0.905 1.00 0.00 C ATOM 90 C ALA A 7 2.456 -6.227 -1.810 1.00 0.00 C ATOM 91 O ALA A 7 2.322 -5.096 -1.377 1.00 0.00 O ATOM 92 CB ALA A 7 1.883 -8.458 -0.801 1.00 0.00 C ATOM 0 H ALA A 7 2.786 -5.911 0.652 1.00 0.00 H new ATOM 0 HA ALA A 7 3.881 -7.735 -1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.694 -8.876 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.235 -9.246 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.961 -8.033 -0.404 1.00 0.00 H new ATOM 98 N ASP A 8 2.182 -6.524 -3.053 1.00 0.00 N ATOM 99 CA ASP A 8 1.679 -5.484 -3.994 1.00 0.00 C ATOM 100 C ASP A 8 0.803 -6.134 -5.063 1.00 0.00 C ATOM 101 O ASP A 8 0.847 -7.338 -5.260 1.00 0.00 O ATOM 102 CB ASP A 8 2.923 -4.853 -4.623 1.00 0.00 C ATOM 103 CG ASP A 8 2.844 -3.334 -4.482 1.00 0.00 C ATOM 104 OD1 ASP A 8 1.875 -2.761 -4.947 1.00 0.00 O ATOM 105 OD2 ASP A 8 3.755 -2.769 -3.905 1.00 0.00 O ATOM 0 H ASP A 8 2.287 -7.454 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 8 1.071 -4.734 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.822 -5.229 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.993 -5.129 -5.675 1.00 0.00 H new ATOM 110 N GLU A 9 -0.023 -5.360 -5.726 1.00 0.00 N ATOM 111 CA GLU A 9 -0.945 -5.934 -6.754 1.00 0.00 C ATOM 112 C GLU A 9 -1.700 -7.125 -6.148 1.00 0.00 C ATOM 113 O GLU A 9 -2.044 -8.072 -6.824 1.00 0.00 O ATOM 114 CB GLU A 9 -0.059 -6.391 -7.919 1.00 0.00 C ATOM 115 CG GLU A 9 0.857 -5.245 -8.368 1.00 0.00 C ATOM 116 CD GLU A 9 1.598 -5.638 -9.651 1.00 0.00 C ATOM 117 OE1 GLU A 9 2.045 -6.767 -9.740 1.00 0.00 O ATOM 118 OE2 GLU A 9 1.706 -4.799 -10.525 1.00 0.00 O ATOM 0 H GLU A 9 -0.098 -4.351 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.684 -5.208 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.541 -7.248 -7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.681 -6.717 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.268 -4.344 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.574 -5.012 -7.581 1.00 0.00 H new ATOM 125 N LYS A 10 -1.940 -7.083 -4.861 1.00 0.00 N ATOM 126 CA LYS A 10 -2.653 -8.198 -4.186 1.00 0.00 C ATOM 127 C LYS A 10 -3.858 -7.646 -3.432 1.00 0.00 C ATOM 128 O LYS A 10 -3.770 -6.586 -2.833 1.00 0.00 O ATOM 129 CB LYS A 10 -1.628 -8.776 -3.208 1.00 0.00 C ATOM 130 CG LYS A 10 -2.180 -10.058 -2.575 1.00 0.00 C ATOM 131 CD LYS A 10 -1.032 -10.848 -1.939 1.00 0.00 C ATOM 132 CE LYS A 10 -0.959 -12.246 -2.565 1.00 0.00 C ATOM 133 NZ LYS A 10 -0.460 -12.040 -3.957 1.00 0.00 N ATOM 0 H LYS A 10 -1.668 -6.314 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.022 -8.951 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.695 -8.989 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.400 -8.045 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.928 -9.811 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.678 -10.665 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.089 -10.322 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.185 -10.928 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.288 -12.893 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.938 -12.726 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.085 -12.936 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.242 -11.716 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.295 -11.324 -3.953 1.00 0.00 H new ATOM 162 N CYS A 12 -6.622 -7.042 -0.586 1.00 0.00 N ATOM 163 CA CYS A 12 -6.472 -6.919 0.898 1.00 0.00 C ATOM 164 C CYS A 12 -7.743 -6.285 1.489 1.00 0.00 C ATOM 165 O CYS A 12 -8.830 -6.490 0.981 1.00 0.00 O ATOM 166 CB CYS A 12 -5.253 -6.004 1.072 1.00 0.00 C ATOM 167 SG CYS A 12 -5.484 -4.515 0.054 1.00 0.00 S ATOM 0 HA CYS A 12 -6.336 -7.873 1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.134 -5.729 2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.344 -6.527 0.775 1.00 0.00 H new ATOM 172 N GLU A 13 -7.628 -5.524 2.550 1.00 0.00 N ATOM 173 CA GLU A 13 -8.840 -4.889 3.155 1.00 0.00 C ATOM 174 C GLU A 13 -8.603 -3.386 3.372 1.00 0.00 C ATOM 175 O GLU A 13 -9.257 -2.556 2.771 1.00 0.00 O ATOM 176 CB GLU A 13 -9.038 -5.610 4.496 1.00 0.00 C ATOM 177 CG GLU A 13 -10.538 -5.735 4.805 1.00 0.00 C ATOM 178 CD GLU A 13 -10.746 -6.119 6.276 1.00 0.00 C ATOM 179 OE1 GLU A 13 -9.962 -6.895 6.794 1.00 0.00 O ATOM 180 OE2 GLU A 13 -11.694 -5.630 6.865 1.00 0.00 O ATOM 0 H GLU A 13 -6.748 -5.315 3.023 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.717 -4.977 2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.582 -6.599 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.538 -5.059 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.040 -4.791 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.989 -6.488 4.158 1.00 0.00 H new ATOM 187 N TYR A 14 -7.673 -3.026 4.223 1.00 0.00 N ATOM 188 CA TYR A 14 -7.406 -1.575 4.476 1.00 0.00 C ATOM 189 C TYR A 14 -6.014 -1.180 3.965 1.00 0.00 C ATOM 190 O TYR A 14 -5.235 -2.017 3.545 1.00 0.00 O ATOM 191 CB TYR A 14 -7.493 -1.410 5.993 1.00 0.00 C ATOM 192 CG TYR A 14 -8.937 -1.498 6.426 1.00 0.00 C ATOM 193 CD1 TYR A 14 -9.821 -0.455 6.124 1.00 0.00 C ATOM 194 CD2 TYR A 14 -9.397 -2.628 7.115 1.00 0.00 C ATOM 195 CE1 TYR A 14 -11.160 -0.539 6.520 1.00 0.00 C ATOM 196 CE2 TYR A 14 -10.734 -2.709 7.509 1.00 0.00 C ATOM 197 CZ TYR A 14 -11.616 -1.669 7.208 1.00 0.00 C ATOM 198 OH TYR A 14 -12.936 -1.754 7.594 1.00 0.00 O ATOM 0 H TYR A 14 -7.088 -3.673 4.752 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.118 -0.935 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.906 -2.183 6.488 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.071 -0.450 6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.470 0.413 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.717 -3.436 7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.842 0.268 6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.086 -3.577 8.047 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.087 -2.603 8.060 1.00 0.00 H new ATOM 208 N HIS A 15 -5.692 0.091 4.003 1.00 0.00 N ATOM 209 CA HIS A 15 -4.350 0.556 3.511 1.00 0.00 C ATOM 210 C HIS A 15 -3.251 0.330 4.565 1.00 0.00 C ATOM 211 O HIS A 15 -2.097 0.618 4.322 1.00 0.00 O ATOM 212 CB HIS A 15 -4.492 2.062 3.230 1.00 0.00 C ATOM 213 CG HIS A 15 -5.557 2.310 2.187 1.00 0.00 C ATOM 214 ND1 HIS A 15 -6.899 2.408 2.519 1.00 0.00 N ATOM 215 CD2 HIS A 15 -5.500 2.491 0.821 1.00 0.00 C ATOM 216 CE1 HIS A 15 -7.582 2.639 1.386 1.00 0.00 C ATOM 217 NE2 HIS A 15 -6.779 2.701 0.325 1.00 0.00 N ATOM 0 H HIS A 15 -6.301 0.831 4.354 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.059 -0.004 2.622 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.748 2.587 4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.539 2.465 2.887 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.296 2.321 3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.598 2.472 0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.654 2.760 1.341 1.00 0.00 H new ATOM 225 N ALA A 16 -3.591 -0.159 5.734 1.00 0.00 N ATOM 226 CA ALA A 16 -2.554 -0.369 6.797 1.00 0.00 C ATOM 227 C ALA A 16 -1.715 -1.638 6.554 1.00 0.00 C ATOM 228 O ALA A 16 -0.560 -1.688 6.921 1.00 0.00 O ATOM 229 CB ALA A 16 -3.346 -0.507 8.098 1.00 0.00 C ATOM 0 H ALA A 16 -4.540 -0.422 5.999 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.844 0.458 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.657 -0.664 8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.922 0.402 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.024 -1.357 8.023 1.00 0.00 H new ATOM 235 N ASP A 17 -2.274 -2.662 5.961 1.00 0.00 N ATOM 236 CA ASP A 17 -1.486 -3.920 5.735 1.00 0.00 C ATOM 237 C ASP A 17 -0.636 -3.828 4.458 1.00 0.00 C ATOM 238 O ASP A 17 -0.700 -4.681 3.597 1.00 0.00 O ATOM 239 CB ASP A 17 -2.527 -5.040 5.610 1.00 0.00 C ATOM 240 CG ASP A 17 -1.861 -6.392 5.868 1.00 0.00 C ATOM 241 OD1 ASP A 17 -1.456 -6.626 6.991 1.00 0.00 O ATOM 242 OD2 ASP A 17 -1.769 -7.174 4.941 1.00 0.00 O ATOM 0 H ASP A 17 -3.236 -2.686 5.624 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.788 -4.100 6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.335 -4.880 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.972 -5.027 4.615 1.00 0.00 H new ATOM 247 N CYS A 18 0.165 -2.804 4.332 1.00 0.00 N ATOM 248 CA CYS A 18 1.030 -2.658 3.113 1.00 0.00 C ATOM 249 C CYS A 18 1.933 -1.427 3.261 1.00 0.00 C ATOM 250 O CYS A 18 1.730 -0.608 4.132 1.00 0.00 O ATOM 251 CB CYS A 18 0.053 -2.476 1.942 1.00 0.00 C ATOM 252 SG CYS A 18 0.010 -3.993 0.951 1.00 0.00 S ATOM 0 H CYS A 18 0.262 -2.057 5.020 1.00 0.00 H new ATOM 0 HA CYS A 18 1.681 -3.519 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.944 -2.246 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.362 -1.633 1.324 1.00 0.00 H new ATOM 257 N CYS A 19 2.924 -1.282 2.417 1.00 0.00 N ATOM 258 CA CYS A 19 3.831 -0.091 2.526 1.00 0.00 C ATOM 259 C CYS A 19 3.513 0.945 1.445 1.00 0.00 C ATOM 260 O CYS A 19 4.334 1.776 1.115 1.00 0.00 O ATOM 261 CB CYS A 19 5.240 -0.641 2.351 1.00 0.00 C ATOM 262 SG CYS A 19 5.843 -1.234 3.955 1.00 0.00 S ATOM 0 H CYS A 19 3.146 -1.930 1.661 1.00 0.00 H new ATOM 0 HA CYS A 19 3.710 0.420 3.481 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.240 -1.454 1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.901 0.134 1.963 1.00 0.00 H new ATOM 0 HG CYS A 19 7.045 -1.709 3.818 1.00 0.00 H new ATOM 267 N ASN A 20 2.323 0.911 0.912 1.00 0.00 N ATOM 268 CA ASN A 20 1.921 1.898 -0.134 1.00 0.00 C ATOM 269 C ASN A 20 0.452 2.284 0.081 1.00 0.00 C ATOM 270 O ASN A 20 0.158 3.139 0.888 1.00 0.00 O ATOM 271 CB ASN A 20 2.137 1.203 -1.488 1.00 0.00 C ATOM 272 CG ASN A 20 1.801 -0.287 -1.384 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.644 -0.646 -1.297 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.759 -1.169 -1.349 1.00 0.00 N ATOM 0 H ASN A 20 1.602 0.233 1.159 1.00 0.00 H new ATOM 0 HA ASN A 20 2.506 2.817 -0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.511 1.671 -2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.172 1.327 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.537 -2.159 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.731 -0.869 -1.422 1.00 0.00 H new ATOM 281 N CYS A 21 -0.480 1.665 -0.604 1.00 0.00 N ATOM 282 CA CYS A 21 -1.911 2.034 -0.383 1.00 0.00 C ATOM 283 C CYS A 21 -2.862 0.935 -0.876 1.00 0.00 C ATOM 284 O CYS A 21 -3.017 0.724 -2.060 1.00 0.00 O ATOM 285 CB CYS A 21 -2.120 3.325 -1.182 1.00 0.00 C ATOM 286 SG CYS A 21 -2.354 4.718 -0.040 1.00 0.00 S ATOM 0 H CYS A 21 -0.315 0.933 -1.295 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.127 2.163 0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.260 3.510 -1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.989 3.225 -1.833 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.434 4.686 0.878 1.00 0.00 H new ATOM 291 N CYS A 22 -3.530 0.261 0.026 1.00 0.00 N ATOM 292 CA CYS A 22 -4.509 -0.794 -0.403 1.00 0.00 C ATOM 293 C CYS A 22 -5.809 -0.090 -0.803 1.00 0.00 C ATOM 294 O CYS A 22 -6.686 0.088 0.008 1.00 0.00 O ATOM 295 CB CYS A 22 -4.739 -1.691 0.818 1.00 0.00 C ATOM 296 SG CYS A 22 -3.954 -3.301 0.567 1.00 0.00 S ATOM 0 H CYS A 22 -3.444 0.391 1.034 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.153 -1.386 -1.246 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.332 -1.215 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.808 -1.822 0.986 1.00 0.00 H new ATOM 301 N LEU A 23 -5.909 0.342 -2.035 1.00 0.00 N ATOM 302 CA LEU A 23 -7.126 1.093 -2.489 1.00 0.00 C ATOM 303 C LEU A 23 -8.388 0.221 -2.491 1.00 0.00 C ATOM 304 O LEU A 23 -8.917 -0.110 -1.449 1.00 0.00 O ATOM 305 CB LEU A 23 -6.757 1.608 -3.886 1.00 0.00 C ATOM 306 CG LEU A 23 -6.225 3.043 -3.782 1.00 0.00 C ATOM 307 CD1 LEU A 23 -5.031 3.089 -2.832 1.00 0.00 C ATOM 308 CD2 LEU A 23 -5.771 3.521 -5.157 1.00 0.00 C ATOM 0 H LEU A 23 -5.197 0.207 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.381 1.908 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.003 0.962 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.630 1.580 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.021 3.685 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.659 4.111 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.339 2.748 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.241 2.440 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.393 4.541 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.981 2.868 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.614 3.497 -5.847 1.00 0.00 H new ATOM 320 N SER A 24 -8.891 -0.132 -3.632 1.00 0.00 N ATOM 321 CA SER A 24 -10.136 -0.964 -3.691 1.00 0.00 C ATOM 322 C SER A 24 -9.848 -2.391 -3.203 1.00 0.00 C ATOM 323 O SER A 24 -10.060 -3.357 -3.907 1.00 0.00 O ATOM 324 CB SER A 24 -10.556 -0.965 -5.168 1.00 0.00 C ATOM 325 OG SER A 24 -9.411 -0.767 -5.993 1.00 0.00 O ATOM 0 H SER A 24 -8.497 0.117 -4.539 1.00 0.00 H new ATOM 0 HA SER A 24 -10.924 -0.567 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.038 -1.910 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.287 -0.177 -5.349 1.00 0.00 H new ATOM 0 HG SER A 24 -9.682 -0.770 -6.935 1.00 0.00 H new ATOM 331 N GLY A 25 -9.357 -2.525 -2.005 1.00 0.00 N ATOM 332 CA GLY A 25 -9.042 -3.873 -1.469 1.00 0.00 C ATOM 333 C GLY A 25 -7.839 -4.453 -2.218 1.00 0.00 C ATOM 334 O GLY A 25 -7.716 -5.647 -2.329 1.00 0.00 O ATOM 0 H GLY A 25 -9.159 -1.751 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.824 -3.810 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.904 -4.531 -1.580 1.00 0.00 H new ATOM 338 N ILE A 26 -6.950 -3.623 -2.726 1.00 0.00 N ATOM 339 CA ILE A 26 -5.742 -4.144 -3.462 1.00 0.00 C ATOM 340 C ILE A 26 -4.511 -3.344 -3.054 1.00 0.00 C ATOM 341 O ILE A 26 -4.576 -2.135 -2.947 1.00 0.00 O ATOM 342 CB ILE A 26 -5.981 -3.923 -4.964 1.00 0.00 C ATOM 343 CG1 ILE A 26 -7.460 -4.098 -5.315 1.00 0.00 C ATOM 344 CG2 ILE A 26 -5.139 -4.929 -5.752 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.851 -5.581 -5.253 1.00 0.00 C ATOM 0 H ILE A 26 -7.008 -2.607 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.587 -5.198 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.691 -2.905 -5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.075 -3.524 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.653 -3.706 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.301 -4.781 -6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.084 -4.781 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.432 -5.942 -5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.906 -5.690 -5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.248 -6.146 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.677 -5.961 -4.246 1.00 0.00 H new ATOM 357 N CYS A 27 -3.387 -3.982 -2.854 1.00 0.00 N ATOM 358 CA CYS A 27 -2.168 -3.210 -2.476 1.00 0.00 C ATOM 359 C CYS A 27 -1.507 -2.627 -3.726 1.00 0.00 C ATOM 360 O CYS A 27 -0.991 -3.350 -4.546 1.00 0.00 O ATOM 361 CB CYS A 27 -1.246 -4.223 -1.797 1.00 0.00 C ATOM 362 SG CYS A 27 0.097 -3.343 -0.959 1.00 0.00 S ATOM 0 H CYS A 27 -3.261 -4.991 -2.935 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.397 -2.371 -1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.809 -4.820 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.839 -4.913 -2.536 1.00 0.00 H new ATOM 367 N ALA A 28 -1.536 -1.327 -3.876 1.00 0.00 N ATOM 368 CA ALA A 28 -0.909 -0.692 -5.077 1.00 0.00 C ATOM 369 C ALA A 28 -0.197 0.606 -4.685 1.00 0.00 C ATOM 370 O ALA A 28 -0.614 1.289 -3.763 1.00 0.00 O ATOM 371 CB ALA A 28 -2.074 -0.399 -6.019 1.00 0.00 C ATOM 0 H ALA A 28 -1.967 -0.677 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.159 -1.335 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.698 0.070 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.579 -1.331 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.778 0.274 -5.529 1.00 0.00 H new