USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 249 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 68 TYR OH : rot 180:sc= 0.412 USER MOD Set 1.2: A 80 ASN : amide:sc= -0.0683 X(o=0.34,f=0.83) USER MOD Single : A 49 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.16) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.871 K(o=-0.87,f=-2.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.275) USER MOD Single : A 64 GLN : amide:sc= -1.85 K(o=-1.8,f=-4!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 84 HIS : no HD1:sc= -3.14 K(o=-3.1,f=-4.9!) USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= -1.35 (180deg=-1.62) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 49 -1.656 -12.189 -14.287 1.00 0.00 N ATOM 46 CA GLN A 49 -2.333 -11.027 -14.934 1.00 0.00 C ATOM 47 C GLN A 49 -1.301 -9.999 -15.413 1.00 0.00 C ATOM 48 O GLN A 49 -1.563 -9.222 -16.311 1.00 0.00 O ATOM 49 CB GLN A 49 -3.220 -10.432 -13.845 1.00 0.00 C ATOM 50 CG GLN A 49 -4.507 -9.891 -14.473 1.00 0.00 C ATOM 51 CD GLN A 49 -5.376 -11.059 -14.941 1.00 0.00 C ATOM 52 OE1 GLN A 49 -5.940 -11.773 -14.137 1.00 0.00 O ATOM 53 NE2 GLN A 49 -5.508 -11.285 -16.220 1.00 0.00 N ATOM 0 HA GLN A 49 -2.906 -11.323 -15.812 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.458 -11.191 -13.100 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.691 -9.632 -13.327 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.052 -9.286 -13.748 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.268 -9.241 -15.315 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.034 -10.685 -16.895 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.085 -12.061 -16.544 1.00 0.00 H new ATOM 62 N CYS A 50 -0.130 -9.995 -14.823 1.00 0.00 N ATOM 63 CA CYS A 50 0.923 -9.023 -15.244 1.00 0.00 C ATOM 64 C CYS A 50 1.973 -9.727 -16.109 1.00 0.00 C ATOM 65 O CYS A 50 3.119 -9.322 -16.161 1.00 0.00 O ATOM 66 CB CYS A 50 1.547 -8.527 -13.939 1.00 0.00 C ATOM 67 SG CYS A 50 2.645 -7.131 -14.285 1.00 0.00 S ATOM 0 H CYS A 50 0.141 -10.624 -14.067 1.00 0.00 H new ATOM 0 HA CYS A 50 0.518 -8.204 -15.839 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.765 -8.224 -13.242 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.105 -9.332 -13.462 1.00 0.00 H new ATOM 72 N ALA A 51 1.587 -10.778 -16.787 1.00 0.00 N ATOM 73 CA ALA A 51 2.556 -11.517 -17.653 1.00 0.00 C ATOM 74 C ALA A 51 2.723 -10.809 -19.002 1.00 0.00 C ATOM 75 O ALA A 51 3.736 -10.949 -19.661 1.00 0.00 O ATOM 76 CB ALA A 51 1.936 -12.902 -17.850 1.00 0.00 C ATOM 0 H ALA A 51 0.640 -11.157 -16.778 1.00 0.00 H new ATOM 0 HA ALA A 51 3.547 -11.571 -17.202 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.590 -13.507 -18.478 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.812 -13.386 -16.881 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.963 -12.800 -18.332 1.00 0.00 H new ATOM 82 N SER A 52 1.738 -10.049 -19.416 1.00 0.00 N ATOM 83 CA SER A 52 1.839 -9.332 -20.723 1.00 0.00 C ATOM 84 C SER A 52 2.333 -7.894 -20.517 1.00 0.00 C ATOM 85 O SER A 52 2.150 -7.043 -21.367 1.00 0.00 O ATOM 86 CB SER A 52 0.418 -9.333 -21.284 1.00 0.00 C ATOM 87 OG SER A 52 0.283 -10.397 -22.217 1.00 0.00 O ATOM 0 H SER A 52 0.869 -9.895 -18.904 1.00 0.00 H new ATOM 0 HA SER A 52 2.549 -9.812 -21.397 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.304 -9.449 -20.476 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.205 -8.380 -21.768 1.00 0.00 H new ATOM 0 HG SER A 52 -0.628 -10.402 -22.578 1.00 0.00 H new ATOM 93 N SER A 53 2.959 -7.614 -19.397 1.00 0.00 N ATOM 94 CA SER A 53 3.473 -6.229 -19.128 1.00 0.00 C ATOM 95 C SER A 53 2.364 -5.178 -19.345 1.00 0.00 C ATOM 96 O SER A 53 2.407 -4.430 -20.302 1.00 0.00 O ATOM 97 CB SER A 53 4.616 -6.024 -20.127 1.00 0.00 C ATOM 98 OG SER A 53 5.278 -4.800 -19.837 1.00 0.00 O ATOM 0 H SER A 53 3.137 -8.289 -18.653 1.00 0.00 H new ATOM 0 HA SER A 53 3.807 -6.115 -18.097 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.320 -6.854 -20.068 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.227 -6.008 -21.145 1.00 0.00 H new ATOM 0 HG SER A 53 6.011 -4.666 -20.473 1.00 0.00 H new ATOM 104 N PRO A 54 1.400 -5.152 -18.448 1.00 0.00 N ATOM 105 CA PRO A 54 0.290 -4.174 -18.571 1.00 0.00 C ATOM 106 C PRO A 54 0.775 -2.766 -18.213 1.00 0.00 C ATOM 107 O PRO A 54 0.483 -1.807 -18.902 1.00 0.00 O ATOM 108 CB PRO A 54 -0.739 -4.668 -17.558 1.00 0.00 C ATOM 109 CG PRO A 54 0.047 -5.440 -16.548 1.00 0.00 C ATOM 110 CD PRO A 54 1.249 -6.007 -17.259 1.00 0.00 C ATOM 0 HA PRO A 54 -0.112 -4.109 -19.582 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.266 -3.835 -17.094 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.492 -5.296 -18.035 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.355 -4.795 -15.725 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.558 -6.238 -16.118 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.138 -5.973 -16.629 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.093 -7.050 -17.535 1.00 0.00 H new ATOM 118 N CYS A 55 1.514 -2.641 -17.140 1.00 0.00 N ATOM 119 CA CYS A 55 2.024 -1.299 -16.725 1.00 0.00 C ATOM 120 C CYS A 55 3.296 -0.954 -17.506 1.00 0.00 C ATOM 121 O CYS A 55 3.987 -1.826 -17.997 1.00 0.00 O ATOM 122 CB CYS A 55 2.320 -1.434 -15.231 1.00 0.00 C ATOM 123 SG CYS A 55 0.773 -1.743 -14.343 1.00 0.00 S ATOM 0 H CYS A 55 1.787 -3.413 -16.532 1.00 0.00 H new ATOM 0 HA CYS A 55 1.308 -0.501 -16.924 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.021 -2.251 -15.059 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.792 -0.525 -14.858 1.00 0.00 H new ATOM 128 N GLN A 56 3.603 0.314 -17.628 1.00 0.00 N ATOM 129 CA GLN A 56 4.826 0.723 -18.386 1.00 0.00 C ATOM 130 C GLN A 56 5.447 1.985 -17.764 1.00 0.00 C ATOM 131 O GLN A 56 5.258 2.266 -16.596 1.00 0.00 O ATOM 132 CB GLN A 56 4.325 0.993 -19.812 1.00 0.00 C ATOM 133 CG GLN A 56 3.291 2.124 -19.800 1.00 0.00 C ATOM 134 CD GLN A 56 2.465 2.074 -21.087 1.00 0.00 C ATOM 135 OE1 GLN A 56 2.608 2.920 -21.948 1.00 0.00 O ATOM 136 NE2 GLN A 56 1.599 1.112 -21.256 1.00 0.00 N ATOM 0 H GLN A 56 3.060 1.083 -17.236 1.00 0.00 H new ATOM 0 HA GLN A 56 5.606 -0.039 -18.367 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.163 1.262 -20.456 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.881 0.088 -20.228 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.639 2.025 -18.932 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.792 3.088 -19.714 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.478 0.402 -20.534 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.043 1.071 -22.110 1.00 0.00 H new ATOM 145 N ASN A 57 6.189 2.744 -18.539 1.00 0.00 N ATOM 146 CA ASN A 57 6.833 3.993 -18.011 1.00 0.00 C ATOM 147 C ASN A 57 7.674 3.690 -16.766 1.00 0.00 C ATOM 148 O ASN A 57 7.605 4.392 -15.775 1.00 0.00 O ATOM 149 CB ASN A 57 5.679 4.940 -17.667 1.00 0.00 C ATOM 150 CG ASN A 57 5.174 5.619 -18.943 1.00 0.00 C ATOM 151 OD1 ASN A 57 5.897 5.729 -19.914 1.00 0.00 O ATOM 152 ND2 ASN A 57 3.956 6.082 -18.982 1.00 0.00 N ATOM 0 H ASN A 57 6.377 2.550 -19.523 1.00 0.00 H new ATOM 0 HA ASN A 57 7.510 4.433 -18.743 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.869 4.385 -17.193 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.013 5.691 -16.951 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.610 6.536 -19.827 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.349 5.990 -18.167 1.00 0.00 H new ATOM 159 N GLY A 58 8.471 2.651 -16.816 1.00 0.00 N ATOM 160 CA GLY A 58 9.328 2.295 -15.644 1.00 0.00 C ATOM 161 C GLY A 58 8.452 2.024 -14.418 1.00 0.00 C ATOM 162 O GLY A 58 8.870 2.220 -13.293 1.00 0.00 O ATOM 0 H GLY A 58 8.565 2.032 -17.621 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.927 1.414 -15.875 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.024 3.107 -15.432 1.00 0.00 H new ATOM 166 N GLY A 59 7.241 1.575 -14.630 1.00 0.00 N ATOM 167 CA GLY A 59 6.332 1.290 -13.481 1.00 0.00 C ATOM 168 C GLY A 59 6.603 -0.121 -12.956 1.00 0.00 C ATOM 169 O GLY A 59 6.846 -1.039 -13.717 1.00 0.00 O ATOM 0 H GLY A 59 6.843 1.393 -15.551 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.490 2.021 -12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.292 1.380 -13.795 1.00 0.00 H new ATOM 173 N SER A 60 6.560 -0.299 -11.660 1.00 0.00 N ATOM 174 CA SER A 60 6.810 -1.650 -11.076 1.00 0.00 C ATOM 175 C SER A 60 5.492 -2.419 -10.964 1.00 0.00 C ATOM 176 O SER A 60 4.467 -1.857 -10.631 1.00 0.00 O ATOM 177 CB SER A 60 7.395 -1.380 -9.690 1.00 0.00 C ATOM 178 OG SER A 60 8.596 -0.631 -9.826 1.00 0.00 O ATOM 0 H SER A 60 6.362 0.435 -10.980 1.00 0.00 H new ATOM 0 HA SER A 60 7.482 -2.252 -11.688 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.677 -0.831 -9.080 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.595 -2.321 -9.177 1.00 0.00 H new ATOM 0 HG SER A 60 8.973 -0.454 -8.939 1.00 0.00 H new ATOM 183 N CYS A 61 5.511 -3.697 -11.247 1.00 0.00 N ATOM 184 CA CYS A 61 4.257 -4.504 -11.166 1.00 0.00 C ATOM 185 C CYS A 61 4.402 -5.620 -10.128 1.00 0.00 C ATOM 186 O CYS A 61 5.496 -6.041 -9.804 1.00 0.00 O ATOM 187 CB CYS A 61 4.074 -5.096 -12.563 1.00 0.00 C ATOM 188 SG CYS A 61 2.484 -5.955 -12.651 1.00 0.00 S ATOM 0 H CYS A 61 6.342 -4.216 -11.531 1.00 0.00 H new ATOM 0 HA CYS A 61 3.402 -3.900 -10.861 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.114 -4.306 -13.313 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.886 -5.788 -12.785 1.00 0.00 H new ATOM 193 N LYS A 62 3.300 -6.100 -9.610 1.00 0.00 N ATOM 194 CA LYS A 62 3.353 -7.192 -8.593 1.00 0.00 C ATOM 195 C LYS A 62 2.105 -8.073 -8.710 1.00 0.00 C ATOM 196 O LYS A 62 1.016 -7.588 -8.952 1.00 0.00 O ATOM 197 CB LYS A 62 3.384 -6.475 -7.242 1.00 0.00 C ATOM 198 CG LYS A 62 4.375 -7.178 -6.309 1.00 0.00 C ATOM 199 CD LYS A 62 5.726 -6.464 -6.363 1.00 0.00 C ATOM 200 CE LYS A 62 6.793 -7.333 -5.692 1.00 0.00 C ATOM 201 NZ LYS A 62 6.478 -7.271 -4.237 1.00 0.00 N ATOM 0 H LYS A 62 2.361 -5.780 -9.850 1.00 0.00 H new ATOM 0 HA LYS A 62 4.217 -7.843 -8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.674 -5.433 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.389 -6.473 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.992 -7.177 -5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.491 -8.221 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.003 -6.265 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.659 -5.499 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.757 -8.358 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.795 -6.956 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.297 -7.604 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.260 -6.290 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.657 -7.876 -4.034 1.00 0.00 H new ATOM 215 N ASP A 63 2.258 -9.361 -8.542 1.00 0.00 N ATOM 216 CA ASP A 63 1.085 -10.281 -8.645 1.00 0.00 C ATOM 217 C ASP A 63 0.290 -10.273 -7.336 1.00 0.00 C ATOM 218 O ASP A 63 0.852 -10.244 -6.258 1.00 0.00 O ATOM 219 CB ASP A 63 1.686 -11.666 -8.903 1.00 0.00 C ATOM 220 CG ASP A 63 1.526 -12.033 -10.380 1.00 0.00 C ATOM 221 OD1 ASP A 63 0.419 -11.927 -10.880 1.00 0.00 O ATOM 222 OD2 ASP A 63 2.514 -12.413 -10.985 1.00 0.00 O ATOM 0 H ASP A 63 3.147 -9.817 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 63 0.396 -9.984 -9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.741 -11.671 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.191 -12.410 -8.278 1.00 0.00 H new ATOM 227 N GLN A 64 -1.014 -10.300 -7.428 1.00 0.00 N ATOM 228 CA GLN A 64 -1.861 -10.296 -6.199 1.00 0.00 C ATOM 229 C GLN A 64 -3.101 -11.168 -6.412 1.00 0.00 C ATOM 230 O GLN A 64 -3.194 -11.902 -7.378 1.00 0.00 O ATOM 231 CB GLN A 64 -2.260 -8.834 -5.998 1.00 0.00 C ATOM 232 CG GLN A 64 -1.102 -8.072 -5.351 1.00 0.00 C ATOM 233 CD GLN A 64 -1.652 -6.886 -4.557 1.00 0.00 C ATOM 234 OE1 GLN A 64 -2.430 -6.105 -5.068 1.00 0.00 O ATOM 235 NE2 GLN A 64 -1.278 -6.716 -3.318 1.00 0.00 N ATOM 0 H GLN A 64 -1.531 -10.325 -8.307 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.336 -10.697 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.517 -8.381 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.147 -8.772 -5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.539 -8.734 -4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.410 -7.721 -6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.625 -7.371 -2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.639 -5.928 -2.780 1.00 0.00 H new ATOM 244 N LEU A 65 -4.052 -11.093 -5.515 1.00 0.00 N ATOM 245 CA LEU A 65 -5.292 -11.917 -5.660 1.00 0.00 C ATOM 246 C LEU A 65 -6.202 -11.316 -6.734 1.00 0.00 C ATOM 247 O LEU A 65 -6.236 -10.117 -6.927 1.00 0.00 O ATOM 248 CB LEU A 65 -5.971 -11.865 -4.291 1.00 0.00 C ATOM 249 CG LEU A 65 -5.481 -13.033 -3.433 1.00 0.00 C ATOM 250 CD1 LEU A 65 -4.299 -12.577 -2.575 1.00 0.00 C ATOM 251 CD2 LEU A 65 -6.615 -13.509 -2.523 1.00 0.00 C ATOM 0 H LEU A 65 -4.024 -10.497 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.073 -12.940 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.747 -10.919 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.054 -11.915 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.166 -13.851 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.950 -13.410 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.490 -12.238 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.614 -11.759 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.266 -14.341 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.930 -12.690 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.458 -13.835 -3.132 1.00 0.00 H new ATOM 263 N GLN A 66 -6.941 -12.146 -7.430 1.00 0.00 N ATOM 264 CA GLN A 66 -7.865 -11.651 -8.505 1.00 0.00 C ATOM 265 C GLN A 66 -7.093 -10.832 -9.555 1.00 0.00 C ATOM 266 O GLN A 66 -6.671 -11.364 -10.566 1.00 0.00 O ATOM 267 CB GLN A 66 -8.920 -10.795 -7.789 1.00 0.00 C ATOM 268 CG GLN A 66 -10.066 -11.691 -7.314 1.00 0.00 C ATOM 269 CD GLN A 66 -10.992 -10.890 -6.395 1.00 0.00 C ATOM 270 OE1 GLN A 66 -10.669 -10.649 -5.249 1.00 0.00 O ATOM 271 NE2 GLN A 66 -12.137 -10.464 -6.855 1.00 0.00 N ATOM 0 H GLN A 66 -6.945 -13.158 -7.299 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.331 -12.474 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.471 -10.280 -6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.300 -10.027 -8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.624 -12.070 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.669 -12.557 -6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.407 -10.667 -7.817 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.761 -9.928 -6.252 1.00 0.00 H new ATOM 280 N SER A 67 -6.904 -9.552 -9.332 1.00 0.00 N ATOM 281 CA SER A 67 -6.161 -8.716 -10.323 1.00 0.00 C ATOM 282 C SER A 67 -4.711 -8.520 -9.869 1.00 0.00 C ATOM 283 O SER A 67 -4.236 -9.196 -8.976 1.00 0.00 O ATOM 284 CB SER A 67 -6.902 -7.380 -10.346 1.00 0.00 C ATOM 285 OG SER A 67 -7.762 -7.339 -11.476 1.00 0.00 O ATOM 0 H SER A 67 -7.233 -9.052 -8.506 1.00 0.00 H new ATOM 0 HA SER A 67 -6.124 -9.179 -11.309 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.480 -7.256 -9.430 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.189 -6.556 -10.387 1.00 0.00 H new ATOM 0 HG SER A 67 -8.240 -6.484 -11.492 1.00 0.00 H new ATOM 291 N TYR A 68 -4.010 -7.598 -10.478 1.00 0.00 N ATOM 292 CA TYR A 68 -2.589 -7.350 -10.087 1.00 0.00 C ATOM 293 C TYR A 68 -2.442 -5.950 -9.486 1.00 0.00 C ATOM 294 O TYR A 68 -3.418 -5.277 -9.212 1.00 0.00 O ATOM 295 CB TYR A 68 -1.781 -7.478 -11.387 1.00 0.00 C ATOM 296 CG TYR A 68 -2.263 -6.469 -12.406 1.00 0.00 C ATOM 297 CD1 TYR A 68 -1.759 -5.163 -12.390 1.00 0.00 C ATOM 298 CD2 TYR A 68 -3.212 -6.841 -13.364 1.00 0.00 C ATOM 299 CE1 TYR A 68 -2.203 -4.230 -13.335 1.00 0.00 C ATOM 300 CE2 TYR A 68 -3.657 -5.908 -14.309 1.00 0.00 C ATOM 301 CZ TYR A 68 -3.152 -4.603 -14.294 1.00 0.00 C ATOM 302 OH TYR A 68 -3.590 -3.683 -15.225 1.00 0.00 O ATOM 0 H TYR A 68 -4.361 -7.005 -11.230 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.241 -8.054 -9.331 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.722 -7.321 -11.182 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.882 -8.487 -11.788 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.028 -4.875 -11.649 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.602 -7.848 -13.375 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.813 -3.223 -13.324 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.389 -6.196 -15.049 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.247 -4.105 -15.818 1.00 0.00 H new ATOM 312 N ILE A 69 -1.227 -5.515 -9.274 1.00 0.00 N ATOM 313 CA ILE A 69 -1.004 -4.166 -8.682 1.00 0.00 C ATOM 314 C ILE A 69 0.322 -3.577 -9.179 1.00 0.00 C ATOM 315 O ILE A 69 1.321 -4.266 -9.263 1.00 0.00 O ATOM 316 CB ILE A 69 -0.977 -4.413 -7.170 1.00 0.00 C ATOM 317 CG1 ILE A 69 -0.820 -3.081 -6.432 1.00 0.00 C ATOM 318 CG2 ILE A 69 0.187 -5.342 -6.807 1.00 0.00 C ATOM 319 CD1 ILE A 69 -1.660 -3.111 -5.153 1.00 0.00 C ATOM 0 H ILE A 69 -0.378 -6.039 -9.487 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.775 -3.448 -8.961 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.914 -4.885 -6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.228 -2.908 -6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.139 -2.258 -7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.196 -5.510 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.066 -6.295 -7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.128 -4.882 -7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.551 -2.164 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.708 -3.265 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.320 -3.925 -4.513 1.00 0.00 H new ATOM 331 N CYS A 70 0.333 -2.311 -9.512 1.00 0.00 N ATOM 332 CA CYS A 70 1.590 -1.676 -10.009 1.00 0.00 C ATOM 333 C CYS A 70 1.994 -0.505 -9.111 1.00 0.00 C ATOM 334 O CYS A 70 1.160 0.236 -8.625 1.00 0.00 O ATOM 335 CB CYS A 70 1.256 -1.177 -11.415 1.00 0.00 C ATOM 336 SG CYS A 70 1.353 -2.553 -12.586 1.00 0.00 S ATOM 0 H CYS A 70 -0.475 -1.690 -9.461 1.00 0.00 H new ATOM 0 HA CYS A 70 2.426 -2.376 -10.009 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.256 -0.743 -11.430 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.950 -0.389 -11.706 1.00 0.00 H new ATOM 341 N PHE A 71 3.275 -0.330 -8.900 1.00 0.00 N ATOM 342 CA PHE A 71 3.754 0.797 -8.046 1.00 0.00 C ATOM 343 C PHE A 71 4.491 1.818 -8.916 1.00 0.00 C ATOM 344 O PHE A 71 5.612 1.594 -9.333 1.00 0.00 O ATOM 345 CB PHE A 71 4.712 0.157 -7.039 1.00 0.00 C ATOM 346 CG PHE A 71 3.959 -0.836 -6.186 1.00 0.00 C ATOM 347 CD1 PHE A 71 2.949 -0.394 -5.322 1.00 0.00 C ATOM 348 CD2 PHE A 71 4.271 -2.199 -6.258 1.00 0.00 C ATOM 349 CE1 PHE A 71 2.253 -1.315 -4.531 1.00 0.00 C ATOM 350 CE2 PHE A 71 3.574 -3.120 -5.466 1.00 0.00 C ATOM 351 CZ PHE A 71 2.565 -2.678 -4.603 1.00 0.00 C ATOM 0 H PHE A 71 4.011 -0.922 -9.285 1.00 0.00 H new ATOM 0 HA PHE A 71 2.939 1.321 -7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.527 -0.342 -7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.161 0.925 -6.410 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.707 0.657 -5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.049 -2.540 -6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.475 -0.974 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.815 -4.171 -5.521 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.027 -3.388 -3.993 1.00 0.00 H new ATOM 361 N CYS A 72 3.863 2.930 -9.202 1.00 0.00 N ATOM 362 CA CYS A 72 4.516 3.965 -10.059 1.00 0.00 C ATOM 363 C CYS A 72 4.874 5.201 -9.231 1.00 0.00 C ATOM 364 O CYS A 72 4.762 5.203 -8.019 1.00 0.00 O ATOM 365 CB CYS A 72 3.472 4.316 -11.119 1.00 0.00 C ATOM 366 SG CYS A 72 3.118 2.855 -12.128 1.00 0.00 S ATOM 0 H CYS A 72 2.925 3.166 -8.878 1.00 0.00 H new ATOM 0 HA CYS A 72 5.445 3.604 -10.501 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.559 4.671 -10.641 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.837 5.126 -11.750 1.00 0.00 H new ATOM 371 N LEU A 73 5.304 6.251 -9.883 1.00 0.00 N ATOM 372 CA LEU A 73 5.674 7.497 -9.150 1.00 0.00 C ATOM 373 C LEU A 73 4.485 8.469 -9.122 1.00 0.00 C ATOM 374 O LEU A 73 3.560 8.329 -9.899 1.00 0.00 O ATOM 375 CB LEU A 73 6.833 8.093 -9.952 1.00 0.00 C ATOM 376 CG LEU A 73 8.042 7.161 -9.870 1.00 0.00 C ATOM 377 CD1 LEU A 73 8.994 7.456 -11.031 1.00 0.00 C ATOM 378 CD2 LEU A 73 8.772 7.390 -8.544 1.00 0.00 C ATOM 0 H LEU A 73 5.415 6.298 -10.896 1.00 0.00 H new ATOM 0 HA LEU A 73 5.949 7.302 -8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.537 8.231 -10.992 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.092 9.077 -9.561 1.00 0.00 H new ATOM 0 HG LEU A 73 7.707 6.125 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.856 6.791 -10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.476 7.296 -11.976 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.329 8.491 -10.972 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.634 6.726 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.107 8.426 -8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.095 7.181 -7.715 1.00 0.00 H new ATOM 390 N PRO A 74 4.541 9.437 -8.231 1.00 0.00 N ATOM 391 CA PRO A 74 3.440 10.428 -8.133 1.00 0.00 C ATOM 392 C PRO A 74 3.373 11.294 -9.398 1.00 0.00 C ATOM 393 O PRO A 74 2.399 11.987 -9.628 1.00 0.00 O ATOM 394 CB PRO A 74 3.810 11.261 -6.906 1.00 0.00 C ATOM 395 CG PRO A 74 5.289 11.104 -6.775 1.00 0.00 C ATOM 396 CD PRO A 74 5.609 9.715 -7.255 1.00 0.00 C ATOM 0 HA PRO A 74 2.457 9.966 -8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.533 12.307 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.293 10.905 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.814 11.852 -7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.605 11.241 -5.741 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.596 9.666 -7.715 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.603 8.995 -6.436 1.00 0.00 H new ATOM 404 N ALA A 75 4.393 11.257 -10.223 1.00 0.00 N ATOM 405 CA ALA A 75 4.378 12.071 -11.474 1.00 0.00 C ATOM 406 C ALA A 75 3.808 11.255 -12.643 1.00 0.00 C ATOM 407 O ALA A 75 3.986 11.609 -13.793 1.00 0.00 O ATOM 408 CB ALA A 75 5.843 12.423 -11.733 1.00 0.00 C ATOM 0 H ALA A 75 5.234 10.697 -10.081 1.00 0.00 H new ATOM 0 HA ALA A 75 3.752 12.958 -11.377 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.918 13.024 -12.640 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.236 12.990 -10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.421 11.507 -11.856 1.00 0.00 H new ATOM 414 N PHE A 76 3.123 10.168 -12.362 1.00 0.00 N ATOM 415 CA PHE A 76 2.545 9.341 -13.465 1.00 0.00 C ATOM 416 C PHE A 76 1.095 8.963 -13.154 1.00 0.00 C ATOM 417 O PHE A 76 0.692 8.902 -12.009 1.00 0.00 O ATOM 418 CB PHE A 76 3.425 8.094 -13.531 1.00 0.00 C ATOM 419 CG PHE A 76 4.677 8.416 -14.306 1.00 0.00 C ATOM 420 CD1 PHE A 76 5.747 9.056 -13.672 1.00 0.00 C ATOM 421 CD2 PHE A 76 4.762 8.081 -15.661 1.00 0.00 C ATOM 422 CE1 PHE A 76 6.905 9.362 -14.395 1.00 0.00 C ATOM 423 CE2 PHE A 76 5.921 8.385 -16.384 1.00 0.00 C ATOM 424 CZ PHE A 76 6.992 9.026 -15.751 1.00 0.00 C ATOM 0 H PHE A 76 2.942 9.822 -11.420 1.00 0.00 H new ATOM 0 HA PHE A 76 2.529 9.879 -14.413 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.680 7.760 -12.525 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.885 7.277 -14.011 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.679 9.314 -12.625 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.934 7.588 -16.149 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.731 9.857 -13.907 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.989 8.125 -17.430 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.886 9.262 -16.309 1.00 0.00 H new ATOM 434 N GLU A 77 0.314 8.711 -14.174 1.00 0.00 N ATOM 435 CA GLU A 77 -1.115 8.337 -13.955 1.00 0.00 C ATOM 436 C GLU A 77 -1.583 7.369 -15.046 1.00 0.00 C ATOM 437 O GLU A 77 -0.831 7.005 -15.933 1.00 0.00 O ATOM 438 CB GLU A 77 -1.885 9.656 -14.043 1.00 0.00 C ATOM 439 CG GLU A 77 -3.019 9.656 -13.016 1.00 0.00 C ATOM 440 CD GLU A 77 -4.213 10.434 -13.572 1.00 0.00 C ATOM 441 OE1 GLU A 77 -4.536 10.235 -14.733 1.00 0.00 O ATOM 442 OE2 GLU A 77 -4.784 11.215 -12.829 1.00 0.00 O ATOM 0 H GLU A 77 0.606 8.748 -15.151 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.269 7.836 -12.999 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.213 10.494 -13.858 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.289 9.787 -15.047 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.314 8.633 -12.785 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.679 10.108 -12.084 1.00 0.00 H new ATOM 449 N GLY A 78 -2.821 6.950 -14.981 1.00 0.00 N ATOM 450 CA GLY A 78 -3.353 6.003 -16.003 1.00 0.00 C ATOM 451 C GLY A 78 -3.538 4.623 -15.370 1.00 0.00 C ATOM 452 O GLY A 78 -2.878 4.281 -14.408 1.00 0.00 O ATOM 0 H GLY A 78 -3.488 7.225 -14.260 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.304 6.367 -16.392 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.667 5.939 -16.847 1.00 0.00 H new ATOM 456 N ARG A 79 -4.431 3.829 -15.904 1.00 0.00 N ATOM 457 CA ARG A 79 -4.665 2.463 -15.338 1.00 0.00 C ATOM 458 C ARG A 79 -3.370 1.644 -15.370 1.00 0.00 C ATOM 459 O ARG A 79 -3.183 0.732 -14.585 1.00 0.00 O ATOM 460 CB ARG A 79 -5.725 1.825 -16.244 1.00 0.00 C ATOM 461 CG ARG A 79 -7.084 1.839 -15.539 1.00 0.00 C ATOM 462 CD ARG A 79 -7.600 3.277 -15.451 1.00 0.00 C ATOM 463 NE ARG A 79 -9.065 3.179 -15.727 1.00 0.00 N ATOM 464 CZ ARG A 79 -9.914 2.796 -14.795 1.00 0.00 C ATOM 465 NH1 ARG A 79 -9.499 2.281 -13.661 1.00 0.00 N ATOM 466 NH2 ARG A 79 -11.195 2.921 -15.008 1.00 0.00 N ATOM 0 H ARG A 79 -5.010 4.067 -16.709 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.991 2.503 -14.299 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.788 2.370 -17.186 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.441 0.801 -16.487 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.795 1.219 -16.085 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.992 1.413 -14.540 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.412 3.704 -14.466 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.103 3.920 -16.178 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.415 3.413 -16.656 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.500 2.170 -13.486 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.175 1.992 -12.954 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.530 3.312 -15.889 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.862 2.628 -14.294 1.00 0.00 H new ATOM 480 N ASN A 80 -2.476 1.962 -16.273 1.00 0.00 N ATOM 481 CA ASN A 80 -1.192 1.206 -16.364 1.00 0.00 C ATOM 482 C ASN A 80 -0.006 2.174 -16.358 1.00 0.00 C ATOM 483 O ASN A 80 1.035 1.896 -16.921 1.00 0.00 O ATOM 484 CB ASN A 80 -1.270 0.462 -17.697 1.00 0.00 C ATOM 485 CG ASN A 80 -2.270 -0.689 -17.583 1.00 0.00 C ATOM 486 OD1 ASN A 80 -3.155 -0.823 -18.405 1.00 0.00 O ATOM 487 ND2 ASN A 80 -2.168 -1.534 -16.593 1.00 0.00 N ATOM 0 H ASN A 80 -2.582 2.715 -16.953 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.050 0.527 -15.523 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.575 1.145 -18.489 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.287 0.078 -17.969 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.830 -2.305 -16.510 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.426 -1.423 -15.902 1.00 0.00 H new ATOM 494 N CYS A 81 -0.158 3.314 -15.722 1.00 0.00 N ATOM 495 CA CYS A 81 0.955 4.320 -15.669 1.00 0.00 C ATOM 496 C CYS A 81 1.464 4.638 -17.082 1.00 0.00 C ATOM 497 O CYS A 81 2.643 4.537 -17.363 1.00 0.00 O ATOM 498 CB CYS A 81 2.061 3.662 -14.838 1.00 0.00 C ATOM 499 SG CYS A 81 1.457 3.358 -13.159 1.00 0.00 S ATOM 0 H CYS A 81 -1.010 3.592 -15.235 1.00 0.00 H new ATOM 0 HA CYS A 81 0.625 5.263 -15.232 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.368 2.724 -15.300 1.00 0.00 H new ATOM 0 HB3 CYS A 81 2.940 4.306 -14.808 1.00 0.00 H new ATOM 504 N GLU A 82 0.577 5.013 -17.967 1.00 0.00 N ATOM 505 CA GLU A 82 1.000 5.332 -19.365 1.00 0.00 C ATOM 506 C GLU A 82 1.134 6.846 -19.564 1.00 0.00 C ATOM 507 O GLU A 82 1.837 7.296 -20.451 1.00 0.00 O ATOM 508 CB GLU A 82 -0.108 4.762 -20.263 1.00 0.00 C ATOM 509 CG GLU A 82 -1.455 5.406 -19.918 1.00 0.00 C ATOM 510 CD GLU A 82 -2.426 5.209 -21.083 1.00 0.00 C ATOM 511 OE1 GLU A 82 -2.757 4.070 -21.369 1.00 0.00 O ATOM 512 OE2 GLU A 82 -2.824 6.202 -21.671 1.00 0.00 O ATOM 0 H GLU A 82 -0.421 5.112 -17.783 1.00 0.00 H new ATOM 0 HA GLU A 82 1.974 4.904 -19.599 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.133 4.945 -21.310 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.170 3.681 -20.134 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.862 4.959 -19.011 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.321 6.469 -19.717 1.00 0.00 H new ATOM 519 N THR A 83 0.465 7.634 -18.757 1.00 0.00 N ATOM 520 CA THR A 83 0.554 9.117 -18.916 1.00 0.00 C ATOM 521 C THR A 83 1.469 9.730 -17.850 1.00 0.00 C ATOM 522 O THR A 83 1.848 9.081 -16.893 1.00 0.00 O ATOM 523 CB THR A 83 -0.887 9.614 -18.759 1.00 0.00 C ATOM 524 OG1 THR A 83 -0.922 11.023 -18.934 1.00 0.00 O ATOM 525 CG2 THR A 83 -1.429 9.259 -17.369 1.00 0.00 C ATOM 0 H THR A 83 -0.137 7.314 -17.998 1.00 0.00 H new ATOM 0 HA THR A 83 0.982 9.402 -19.877 1.00 0.00 H new ATOM 0 HB THR A 83 -1.509 9.131 -19.512 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.843 11.342 -18.836 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.453 9.619 -17.275 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.411 8.177 -17.237 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.808 9.728 -16.606 1.00 0.00 H new ATOM 533 N HIS A 84 1.817 10.980 -18.013 1.00 0.00 N ATOM 534 CA HIS A 84 2.700 11.660 -17.018 1.00 0.00 C ATOM 535 C HIS A 84 1.903 12.732 -16.267 1.00 0.00 C ATOM 536 O HIS A 84 0.872 13.184 -16.731 1.00 0.00 O ATOM 537 CB HIS A 84 3.804 12.309 -17.852 1.00 0.00 C ATOM 538 CG HIS A 84 4.749 11.251 -18.353 1.00 0.00 C ATOM 539 ND1 HIS A 84 4.337 10.230 -19.194 1.00 0.00 N ATOM 540 CD2 HIS A 84 6.090 11.047 -18.144 1.00 0.00 C ATOM 541 CE1 HIS A 84 5.411 9.466 -19.459 1.00 0.00 C ATOM 542 NE2 HIS A 84 6.507 9.919 -18.844 1.00 0.00 N ATOM 0 H HIS A 84 1.526 11.563 -18.798 1.00 0.00 H new ATOM 0 HA HIS A 84 3.100 10.971 -16.275 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.368 12.849 -18.693 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.346 13.039 -17.251 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.725 11.668 -17.530 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.390 8.592 -20.093 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.447 9.523 -18.880 1.00 0.00 H new ATOM 550 N LYS A 85 2.373 13.144 -15.116 1.00 0.00 N ATOM 551 CA LYS A 85 1.644 14.192 -14.338 1.00 0.00 C ATOM 552 C LYS A 85 2.537 15.420 -14.142 1.00 0.00 C ATOM 553 O LYS A 85 3.605 15.335 -13.564 1.00 0.00 O ATOM 554 CB LYS A 85 1.323 13.542 -12.991 1.00 0.00 C ATOM 555 CG LYS A 85 0.355 12.376 -13.201 1.00 0.00 C ATOM 556 CD LYS A 85 -0.334 12.040 -11.876 1.00 0.00 C ATOM 557 CE LYS A 85 -1.311 13.161 -11.506 1.00 0.00 C ATOM 558 NZ LYS A 85 -2.658 12.630 -11.859 1.00 0.00 N ATOM 0 H LYS A 85 3.230 12.800 -14.682 1.00 0.00 H new ATOM 0 HA LYS A 85 0.743 14.531 -14.849 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.239 13.187 -12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.882 14.277 -12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.389 12.638 -13.954 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.894 11.505 -13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.867 11.093 -11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.410 11.917 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.248 13.405 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.090 14.075 -12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.357 13.398 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.636 12.241 -12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.922 11.880 -11.189 1.00 0.00 H new