USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 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 130:sc= 0.212 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.197 X(o=0.41,f=0.65) USER MOD Single : A 49 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.5!) USER MOD Single : A 52 SER OG : rot -60:sc= 1.12 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.842 X(o=-0.84,f=-1.2) USER MOD Single : A 57 ASN : amide:sc= -1.28! C(o=-1.3!,f=-2.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.931 K(o=-0.93,f=-4.8!) USER MOD Single : A 66 GLN : amide:sc= -0.789 K(o=-0.79,f=-1.4) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 84 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-4.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 49 -1.748 -11.783 -13.772 1.00 0.00 N ATOM 46 CA GLN A 49 -2.110 -10.624 -14.643 1.00 0.00 C ATOM 47 C GLN A 49 -0.882 -9.741 -14.887 1.00 0.00 C ATOM 48 O GLN A 49 -1.001 -8.551 -15.113 1.00 0.00 O ATOM 49 CB GLN A 49 -3.174 -9.858 -13.858 1.00 0.00 C ATOM 50 CG GLN A 49 -4.443 -10.706 -13.756 1.00 0.00 C ATOM 51 CD GLN A 49 -5.670 -9.791 -13.760 1.00 0.00 C ATOM 52 OE1 GLN A 49 -5.634 -8.709 -14.309 1.00 0.00 O ATOM 53 NE2 GLN A 49 -6.763 -10.185 -13.167 1.00 0.00 N ATOM 0 HA GLN A 49 -2.473 -10.939 -15.621 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.803 -9.618 -12.861 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.395 -8.912 -14.352 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.494 -11.405 -14.591 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.423 -11.301 -12.843 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.794 -11.094 -12.706 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.587 -9.584 -13.165 1.00 0.00 H new ATOM 62 N CYS A 50 0.292 -10.317 -14.847 1.00 0.00 N ATOM 63 CA CYS A 50 1.534 -9.520 -15.079 1.00 0.00 C ATOM 64 C CYS A 50 2.552 -10.351 -15.864 1.00 0.00 C ATOM 65 O CYS A 50 3.709 -10.440 -15.500 1.00 0.00 O ATOM 66 CB CYS A 50 2.064 -9.197 -13.681 1.00 0.00 C ATOM 67 SG CYS A 50 3.472 -8.066 -13.814 1.00 0.00 S ATOM 0 H CYS A 50 0.444 -11.309 -14.663 1.00 0.00 H new ATOM 0 HA CYS A 50 1.346 -8.617 -15.660 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.277 -8.745 -13.078 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.367 -10.114 -13.175 1.00 0.00 H new ATOM 72 N ALA A 51 2.123 -10.962 -16.940 1.00 0.00 N ATOM 73 CA ALA A 51 3.057 -11.792 -17.760 1.00 0.00 C ATOM 74 C ALA A 51 3.781 -10.917 -18.786 1.00 0.00 C ATOM 75 O ALA A 51 4.978 -11.030 -18.974 1.00 0.00 O ATOM 76 CB ALA A 51 2.164 -12.815 -18.462 1.00 0.00 C ATOM 0 H ALA A 51 1.164 -10.921 -17.286 1.00 0.00 H new ATOM 0 HA ALA A 51 3.826 -12.270 -17.153 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.777 -13.465 -19.086 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.642 -13.415 -17.716 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.435 -12.296 -19.085 1.00 0.00 H new ATOM 82 N SER A 52 3.062 -10.046 -19.447 1.00 0.00 N ATOM 83 CA SER A 52 3.701 -9.158 -20.464 1.00 0.00 C ATOM 84 C SER A 52 3.753 -7.716 -19.952 1.00 0.00 C ATOM 85 O SER A 52 3.742 -6.774 -20.721 1.00 0.00 O ATOM 86 CB SER A 52 2.801 -9.257 -21.696 1.00 0.00 C ATOM 87 OG SER A 52 3.242 -8.326 -22.675 1.00 0.00 O ATOM 0 H SER A 52 2.058 -9.911 -19.326 1.00 0.00 H new ATOM 0 HA SER A 52 4.727 -9.453 -20.683 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.829 -10.269 -22.101 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.766 -9.052 -21.422 1.00 0.00 H new ATOM 0 HG SER A 52 3.194 -7.418 -22.308 1.00 0.00 H new ATOM 93 N SER A 53 3.811 -7.537 -18.653 1.00 0.00 N ATOM 94 CA SER A 53 3.865 -6.156 -18.067 1.00 0.00 C ATOM 95 C SER A 53 2.721 -5.283 -18.615 1.00 0.00 C ATOM 96 O SER A 53 2.857 -4.689 -19.665 1.00 0.00 O ATOM 97 CB SER A 53 5.223 -5.589 -18.490 1.00 0.00 C ATOM 98 OG SER A 53 5.325 -4.240 -18.053 1.00 0.00 O ATOM 0 H SER A 53 3.823 -8.293 -17.968 1.00 0.00 H new ATOM 0 HA SER A 53 3.751 -6.174 -16.983 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.029 -6.185 -18.060 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.331 -5.642 -19.573 1.00 0.00 H new ATOM 0 HG SER A 53 6.194 -3.874 -18.321 1.00 0.00 H new ATOM 104 N PRO A 54 1.626 -5.228 -17.886 1.00 0.00 N ATOM 105 CA PRO A 54 0.470 -4.412 -18.332 1.00 0.00 C ATOM 106 C PRO A 54 0.773 -2.921 -18.162 1.00 0.00 C ATOM 107 O PRO A 54 0.325 -2.096 -18.937 1.00 0.00 O ATOM 108 CB PRO A 54 -0.659 -4.844 -17.400 1.00 0.00 C ATOM 109 CG PRO A 54 0.024 -5.354 -16.172 1.00 0.00 C ATOM 110 CD PRO A 54 1.357 -5.904 -16.604 1.00 0.00 C ATOM 0 HA PRO A 54 0.226 -4.557 -19.384 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.319 -4.008 -17.166 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.275 -5.618 -17.859 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.155 -4.554 -15.444 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.575 -6.128 -15.691 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.134 -5.690 -15.870 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.322 -6.987 -16.724 1.00 0.00 H new ATOM 118 N CYS A 55 1.534 -2.574 -17.156 1.00 0.00 N ATOM 119 CA CYS A 55 1.874 -1.138 -16.927 1.00 0.00 C ATOM 120 C CYS A 55 3.154 -0.773 -17.684 1.00 0.00 C ATOM 121 O CYS A 55 3.873 -1.636 -18.152 1.00 0.00 O ATOM 122 CB CYS A 55 2.080 -1.018 -15.418 1.00 0.00 C ATOM 123 SG CYS A 55 0.501 -1.292 -14.576 1.00 0.00 S ATOM 0 H CYS A 55 1.936 -3.225 -16.482 1.00 0.00 H new ATOM 0 HA CYS A 55 1.096 -0.463 -17.283 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.817 -1.747 -15.081 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.471 -0.031 -15.170 1.00 0.00 H new ATOM 128 N GLN A 56 3.438 0.499 -17.812 1.00 0.00 N ATOM 129 CA GLN A 56 4.668 0.926 -18.546 1.00 0.00 C ATOM 130 C GLN A 56 5.244 2.209 -17.929 1.00 0.00 C ATOM 131 O GLN A 56 4.972 2.533 -16.788 1.00 0.00 O ATOM 132 CB GLN A 56 4.199 1.165 -19.988 1.00 0.00 C ATOM 133 CG GLN A 56 3.116 2.252 -20.016 1.00 0.00 C ATOM 134 CD GLN A 56 2.021 1.864 -21.013 1.00 0.00 C ATOM 135 OE1 GLN A 56 1.654 2.647 -21.867 1.00 0.00 O ATOM 136 NE2 GLN A 56 1.479 0.678 -20.940 1.00 0.00 N ATOM 0 H GLN A 56 2.871 1.260 -17.440 1.00 0.00 H new ATOM 0 HA GLN A 56 5.463 0.182 -18.497 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.043 1.466 -20.608 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.807 0.239 -20.410 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.688 2.378 -19.022 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.555 3.209 -20.298 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.786 0.020 -20.224 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.748 0.410 -21.599 1.00 0.00 H new ATOM 145 N ASN A 57 6.043 2.938 -18.676 1.00 0.00 N ATOM 146 CA ASN A 57 6.651 4.204 -18.147 1.00 0.00 C ATOM 147 C ASN A 57 7.377 3.948 -16.821 1.00 0.00 C ATOM 148 O ASN A 57 7.132 4.609 -15.829 1.00 0.00 O ATOM 149 CB ASN A 57 5.478 5.169 -17.943 1.00 0.00 C ATOM 150 CG ASN A 57 4.929 5.606 -19.302 1.00 0.00 C ATOM 151 OD1 ASN A 57 5.627 5.559 -20.297 1.00 0.00 O ATOM 152 ND2 ASN A 57 3.700 6.033 -19.389 1.00 0.00 N ATOM 0 H ASN A 57 6.301 2.708 -19.636 1.00 0.00 H new ATOM 0 HA ASN A 57 7.393 4.610 -18.834 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.693 4.685 -17.361 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.805 6.040 -17.375 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.325 6.327 -20.291 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.114 6.073 -18.555 1.00 0.00 H new ATOM 159 N GLY A 58 8.271 2.991 -16.803 1.00 0.00 N ATOM 160 CA GLY A 58 9.021 2.681 -15.549 1.00 0.00 C ATOM 161 C GLY A 58 8.046 2.250 -14.450 1.00 0.00 C ATOM 162 O GLY A 58 8.324 2.400 -13.274 1.00 0.00 O ATOM 0 H GLY A 58 8.514 2.410 -17.605 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.746 1.888 -15.735 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.583 3.557 -15.225 1.00 0.00 H new ATOM 166 N GLY A 59 6.909 1.716 -14.821 1.00 0.00 N ATOM 167 CA GLY A 59 5.915 1.275 -13.799 1.00 0.00 C ATOM 168 C GLY A 59 6.311 -0.103 -13.265 1.00 0.00 C ATOM 169 O GLY A 59 6.622 -1.003 -14.022 1.00 0.00 O ATOM 0 H GLY A 59 6.627 1.567 -15.790 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.873 1.995 -12.982 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.919 1.234 -14.239 1.00 0.00 H new ATOM 173 N SER A 60 6.300 -0.271 -11.968 1.00 0.00 N ATOM 174 CA SER A 60 6.674 -1.590 -11.376 1.00 0.00 C ATOM 175 C SER A 60 5.430 -2.473 -11.236 1.00 0.00 C ATOM 176 O SER A 60 4.510 -2.150 -10.511 1.00 0.00 O ATOM 177 CB SER A 60 7.255 -1.256 -10.002 1.00 0.00 C ATOM 178 OG SER A 60 8.393 -0.419 -10.166 1.00 0.00 O ATOM 0 H SER A 60 6.048 0.450 -11.292 1.00 0.00 H new ATOM 0 HA SER A 60 7.385 -2.137 -11.995 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.506 -0.755 -9.389 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.534 -2.171 -9.480 1.00 0.00 H new ATOM 0 HG SER A 60 8.768 -0.201 -9.287 1.00 0.00 H new ATOM 183 N CYS A 61 5.402 -3.582 -11.932 1.00 0.00 N ATOM 184 CA CYS A 61 4.220 -4.492 -11.853 1.00 0.00 C ATOM 185 C CYS A 61 4.410 -5.517 -10.730 1.00 0.00 C ATOM 186 O CYS A 61 5.518 -5.908 -10.414 1.00 0.00 O ATOM 187 CB CYS A 61 4.171 -5.188 -13.216 1.00 0.00 C ATOM 188 SG CYS A 61 2.717 -6.264 -13.304 1.00 0.00 S ATOM 0 H CYS A 61 6.148 -3.896 -12.552 1.00 0.00 H new ATOM 0 HA CYS A 61 3.297 -3.955 -11.633 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.134 -4.445 -14.013 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.078 -5.773 -13.368 1.00 0.00 H new ATOM 193 N LYS A 62 3.330 -5.955 -10.133 1.00 0.00 N ATOM 194 CA LYS A 62 3.428 -6.958 -9.031 1.00 0.00 C ATOM 195 C LYS A 62 2.191 -7.861 -9.035 1.00 0.00 C ATOM 196 O LYS A 62 1.071 -7.393 -8.941 1.00 0.00 O ATOM 197 CB LYS A 62 3.489 -6.131 -7.741 1.00 0.00 C ATOM 198 CG LYS A 62 4.589 -6.678 -6.824 1.00 0.00 C ATOM 199 CD LYS A 62 5.854 -5.828 -6.973 1.00 0.00 C ATOM 200 CE LYS A 62 6.784 -6.469 -8.007 1.00 0.00 C ATOM 201 NZ LYS A 62 7.767 -7.251 -7.207 1.00 0.00 N ATOM 0 H LYS A 62 2.381 -5.659 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 62 4.298 -7.606 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.687 -5.086 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.527 -6.166 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.251 -6.666 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.805 -7.716 -7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.591 -4.817 -7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.363 -5.744 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.230 -7.112 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.281 -5.712 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.440 -7.721 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.284 -6.611 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.265 -7.968 -6.645 1.00 0.00 H new ATOM 215 N ASP A 63 2.386 -9.151 -9.148 1.00 0.00 N ATOM 216 CA ASP A 63 1.225 -10.092 -9.164 1.00 0.00 C ATOM 217 C ASP A 63 0.587 -10.174 -7.772 1.00 0.00 C ATOM 218 O ASP A 63 1.240 -10.503 -6.800 1.00 0.00 O ATOM 219 CB ASP A 63 1.806 -11.451 -9.575 1.00 0.00 C ATOM 220 CG ASP A 63 2.894 -11.879 -8.584 1.00 0.00 C ATOM 221 OD1 ASP A 63 3.893 -11.185 -8.497 1.00 0.00 O ATOM 222 OD2 ASP A 63 2.708 -12.893 -7.932 1.00 0.00 O ATOM 0 H ASP A 63 3.301 -9.594 -9.230 1.00 0.00 H new ATOM 0 HA ASP A 63 0.444 -9.765 -9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.015 -12.200 -9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.223 -11.388 -10.580 1.00 0.00 H new ATOM 227 N GLN A 64 -0.686 -9.879 -7.675 1.00 0.00 N ATOM 228 CA GLN A 64 -1.375 -9.938 -6.352 1.00 0.00 C ATOM 229 C GLN A 64 -2.563 -10.904 -6.417 1.00 0.00 C ATOM 230 O GLN A 64 -2.722 -11.639 -7.373 1.00 0.00 O ATOM 231 CB GLN A 64 -1.856 -8.510 -6.088 1.00 0.00 C ATOM 232 CG GLN A 64 -0.692 -7.669 -5.562 1.00 0.00 C ATOM 233 CD GLN A 64 -0.430 -8.017 -4.095 1.00 0.00 C ATOM 234 OE1 GLN A 64 -0.747 -9.101 -3.649 1.00 0.00 O ATOM 235 NE2 GLN A 64 0.141 -7.135 -3.320 1.00 0.00 N ATOM 0 H GLN A 64 -1.277 -9.599 -8.458 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.717 -10.297 -5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.250 -8.072 -7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.670 -8.517 -5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.203 -7.856 -6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.923 -6.608 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.408 -6.224 -3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.321 -7.357 -2.341 1.00 0.00 H new ATOM 244 N LEU A 65 -3.393 -10.903 -5.405 1.00 0.00 N ATOM 245 CA LEU A 65 -4.576 -11.821 -5.399 1.00 0.00 C ATOM 246 C LEU A 65 -5.540 -11.450 -6.530 1.00 0.00 C ATOM 247 O LEU A 65 -5.849 -10.295 -6.735 1.00 0.00 O ATOM 248 CB LEU A 65 -5.245 -11.609 -4.033 1.00 0.00 C ATOM 249 CG LEU A 65 -6.005 -12.873 -3.602 1.00 0.00 C ATOM 250 CD1 LEU A 65 -7.079 -13.219 -4.638 1.00 0.00 C ATOM 251 CD2 LEU A 65 -5.029 -14.046 -3.466 1.00 0.00 C ATOM 0 H LEU A 65 -3.304 -10.307 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.288 -12.861 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.490 -11.360 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.932 -10.765 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.482 -12.686 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.612 -14.116 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.782 -12.390 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.608 -13.397 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.574 -14.939 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.543 -14.228 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.275 -13.807 -2.716 1.00 0.00 H new ATOM 263 N GLN A 66 -6.015 -12.431 -7.260 1.00 0.00 N ATOM 264 CA GLN A 66 -6.966 -12.167 -8.391 1.00 0.00 C ATOM 265 C GLN A 66 -6.356 -11.177 -9.400 1.00 0.00 C ATOM 266 O GLN A 66 -5.753 -11.582 -10.375 1.00 0.00 O ATOM 267 CB GLN A 66 -8.238 -11.600 -7.743 1.00 0.00 C ATOM 268 CG GLN A 66 -9.148 -12.751 -7.310 1.00 0.00 C ATOM 269 CD GLN A 66 -9.974 -12.320 -6.095 1.00 0.00 C ATOM 270 OE1 GLN A 66 -10.278 -11.155 -5.935 1.00 0.00 O ATOM 271 NE2 GLN A 66 -10.352 -13.219 -5.227 1.00 0.00 N ATOM 0 H GLN A 66 -5.783 -13.414 -7.120 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.185 -13.074 -8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.977 -10.985 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.761 -10.954 -8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.808 -13.035 -8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.550 -13.628 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.096 -14.197 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.903 -12.943 -4.414 1.00 0.00 H new ATOM 280 N SER A 67 -6.505 -9.890 -9.178 1.00 0.00 N ATOM 281 CA SER A 67 -5.929 -8.892 -10.128 1.00 0.00 C ATOM 282 C SER A 67 -4.456 -8.638 -9.796 1.00 0.00 C ATOM 283 O SER A 67 -3.805 -9.452 -9.169 1.00 0.00 O ATOM 284 CB SER A 67 -6.755 -7.623 -9.917 1.00 0.00 C ATOM 285 OG SER A 67 -6.414 -7.045 -8.664 1.00 0.00 O ATOM 0 H SER A 67 -7.000 -9.492 -8.380 1.00 0.00 H new ATOM 0 HA SER A 67 -5.967 -9.234 -11.162 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.565 -6.913 -10.722 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.819 -7.859 -9.945 1.00 0.00 H new ATOM 0 HG SER A 67 -6.940 -6.230 -8.526 1.00 0.00 H new ATOM 291 N TYR A 68 -3.928 -7.514 -10.212 1.00 0.00 N ATOM 292 CA TYR A 68 -2.497 -7.200 -9.923 1.00 0.00 C ATOM 293 C TYR A 68 -2.364 -5.771 -9.394 1.00 0.00 C ATOM 294 O TYR A 68 -3.346 -5.120 -9.088 1.00 0.00 O ATOM 295 CB TYR A 68 -1.764 -7.362 -11.261 1.00 0.00 C ATOM 296 CG TYR A 68 -2.345 -6.422 -12.294 1.00 0.00 C ATOM 297 CD1 TYR A 68 -3.495 -6.786 -13.005 1.00 0.00 C ATOM 298 CD2 TYR A 68 -1.732 -5.188 -12.541 1.00 0.00 C ATOM 299 CE1 TYR A 68 -4.032 -5.917 -13.961 1.00 0.00 C ATOM 300 CE2 TYR A 68 -2.268 -4.318 -13.498 1.00 0.00 C ATOM 301 CZ TYR A 68 -3.418 -4.683 -14.209 1.00 0.00 C ATOM 302 OH TYR A 68 -3.947 -3.826 -15.152 1.00 0.00 O ATOM 0 H TYR A 68 -4.428 -6.799 -10.740 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.079 -7.856 -9.159 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.702 -7.157 -11.129 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.849 -8.392 -11.608 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.968 -7.738 -12.815 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.845 -4.907 -11.993 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.920 -6.198 -14.508 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.795 -3.366 -13.688 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.044 -2.931 -14.764 1.00 0.00 H new ATOM 312 N ILE A 69 -1.155 -5.286 -9.274 1.00 0.00 N ATOM 313 CA ILE A 69 -0.951 -3.904 -8.755 1.00 0.00 C ATOM 314 C ILE A 69 0.320 -3.288 -9.357 1.00 0.00 C ATOM 315 O ILE A 69 1.323 -3.955 -9.523 1.00 0.00 O ATOM 316 CB ILE A 69 -0.822 -4.085 -7.239 1.00 0.00 C ATOM 317 CG1 ILE A 69 -0.683 -2.719 -6.567 1.00 0.00 C ATOM 318 CG2 ILE A 69 0.405 -4.943 -6.910 1.00 0.00 C ATOM 319 CD1 ILE A 69 -1.402 -2.745 -5.216 1.00 0.00 C ATOM 0 H ILE A 69 -0.301 -5.789 -9.514 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.765 -3.228 -9.016 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.716 -4.586 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.370 -2.475 -6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.108 -1.943 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.485 -5.064 -5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.301 -5.922 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.303 -4.454 -7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.305 -1.772 -4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.457 -2.970 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.956 -3.511 -4.581 1.00 0.00 H new ATOM 331 N CYS A 70 0.276 -2.021 -9.684 1.00 0.00 N ATOM 332 CA CYS A 70 1.475 -1.355 -10.276 1.00 0.00 C ATOM 333 C CYS A 70 1.935 -0.197 -9.387 1.00 0.00 C ATOM 334 O CYS A 70 1.155 0.662 -9.021 1.00 0.00 O ATOM 335 CB CYS A 70 1.007 -0.831 -11.634 1.00 0.00 C ATOM 336 SG CYS A 70 1.011 -2.183 -12.837 1.00 0.00 S ATOM 0 H CYS A 70 -0.539 -1.419 -9.566 1.00 0.00 H new ATOM 0 HA CYS A 70 2.320 -2.038 -10.369 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.005 -0.410 -11.548 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.662 -0.028 -11.971 1.00 0.00 H new ATOM 341 N PHE A 71 3.197 -0.168 -9.045 1.00 0.00 N ATOM 342 CA PHE A 71 3.722 0.934 -8.185 1.00 0.00 C ATOM 343 C PHE A 71 4.441 1.969 -9.053 1.00 0.00 C ATOM 344 O PHE A 71 5.471 1.690 -9.637 1.00 0.00 O ATOM 345 CB PHE A 71 4.706 0.262 -7.224 1.00 0.00 C ATOM 346 CG PHE A 71 3.979 -0.759 -6.382 1.00 0.00 C ATOM 347 CD1 PHE A 71 2.934 -0.358 -5.540 1.00 0.00 C ATOM 348 CD2 PHE A 71 4.351 -2.107 -6.442 1.00 0.00 C ATOM 349 CE1 PHE A 71 2.261 -1.307 -4.761 1.00 0.00 C ATOM 350 CE2 PHE A 71 3.679 -3.056 -5.662 1.00 0.00 C ATOM 351 CZ PHE A 71 2.634 -2.655 -4.821 1.00 0.00 C ATOM 0 H PHE A 71 3.889 -0.863 -9.326 1.00 0.00 H new ATOM 0 HA PHE A 71 2.929 1.455 -7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.506 -0.219 -7.786 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.172 1.011 -6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.648 0.682 -5.492 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.157 -2.416 -7.091 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.454 -0.999 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.966 -4.096 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.115 -3.386 -4.218 1.00 0.00 H new ATOM 361 N CYS A 72 3.902 3.158 -9.145 1.00 0.00 N ATOM 362 CA CYS A 72 4.549 4.214 -9.981 1.00 0.00 C ATOM 363 C CYS A 72 4.835 5.461 -9.139 1.00 0.00 C ATOM 364 O CYS A 72 4.535 5.507 -7.961 1.00 0.00 O ATOM 365 CB CYS A 72 3.531 4.530 -11.076 1.00 0.00 C ATOM 366 SG CYS A 72 3.625 3.266 -12.368 1.00 0.00 S ATOM 0 H CYS A 72 3.042 3.443 -8.677 1.00 0.00 H new ATOM 0 HA CYS A 72 5.504 3.885 -10.392 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.526 4.561 -10.655 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.730 5.514 -11.500 1.00 0.00 H new ATOM 371 N LEU A 73 5.415 6.467 -9.740 1.00 0.00 N ATOM 372 CA LEU A 73 5.729 7.718 -8.988 1.00 0.00 C ATOM 373 C LEU A 73 4.501 8.642 -8.961 1.00 0.00 C ATOM 374 O LEU A 73 3.579 8.457 -9.733 1.00 0.00 O ATOM 375 CB LEU A 73 6.874 8.368 -9.766 1.00 0.00 C ATOM 376 CG LEU A 73 8.165 7.586 -9.521 1.00 0.00 C ATOM 377 CD1 LEU A 73 9.138 7.829 -10.677 1.00 0.00 C ATOM 378 CD2 LEU A 73 8.805 8.056 -8.212 1.00 0.00 C ATOM 0 H LEU A 73 5.686 6.476 -10.723 1.00 0.00 H new ATOM 0 HA LEU A 73 6.001 7.522 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.642 8.383 -10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.999 9.404 -9.452 1.00 0.00 H new ATOM 0 HG LEU A 73 7.937 6.522 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.058 7.271 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.684 7.496 -11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.366 8.893 -10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.725 7.499 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.032 9.120 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.114 7.884 -7.387 1.00 0.00 H new ATOM 390 N PRO A 74 4.520 9.616 -8.074 1.00 0.00 N ATOM 391 CA PRO A 74 3.377 10.562 -7.972 1.00 0.00 C ATOM 392 C PRO A 74 3.280 11.456 -9.217 1.00 0.00 C ATOM 393 O PRO A 74 2.299 12.151 -9.408 1.00 0.00 O ATOM 394 CB PRO A 74 3.702 11.388 -6.727 1.00 0.00 C ATOM 395 CG PRO A 74 5.186 11.295 -6.586 1.00 0.00 C ATOM 396 CD PRO A 74 5.580 9.938 -7.104 1.00 0.00 C ATOM 0 HA PRO A 74 2.416 10.053 -7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.379 12.423 -6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.195 10.993 -5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.680 12.085 -7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.485 11.415 -5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.562 9.959 -7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.627 9.201 -6.302 1.00 0.00 H new ATOM 404 N ALA A 75 4.280 11.442 -10.067 1.00 0.00 N ATOM 405 CA ALA A 75 4.232 12.287 -11.296 1.00 0.00 C ATOM 406 C ALA A 75 3.578 11.521 -12.455 1.00 0.00 C ATOM 407 O ALA A 75 3.176 12.109 -13.441 1.00 0.00 O ATOM 408 CB ALA A 75 5.695 12.598 -11.619 1.00 0.00 C ATOM 0 H ALA A 75 5.125 10.881 -9.960 1.00 0.00 H new ATOM 0 HA ALA A 75 3.642 13.191 -11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.746 13.218 -12.514 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.147 13.130 -10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.235 11.667 -11.792 1.00 0.00 H new ATOM 414 N PHE A 76 3.469 10.215 -12.348 1.00 0.00 N ATOM 415 CA PHE A 76 2.839 9.422 -13.446 1.00 0.00 C ATOM 416 C PHE A 76 1.372 9.133 -13.117 1.00 0.00 C ATOM 417 O PHE A 76 0.960 9.198 -11.973 1.00 0.00 O ATOM 418 CB PHE A 76 3.641 8.122 -13.509 1.00 0.00 C ATOM 419 CG PHE A 76 4.922 8.360 -14.271 1.00 0.00 C ATOM 420 CD1 PHE A 76 6.044 8.877 -13.613 1.00 0.00 C ATOM 421 CD2 PHE A 76 4.987 8.063 -15.638 1.00 0.00 C ATOM 422 CE1 PHE A 76 7.231 9.098 -14.321 1.00 0.00 C ATOM 423 CE2 PHE A 76 6.175 8.284 -16.346 1.00 0.00 C ATOM 424 CZ PHE A 76 7.297 8.801 -15.688 1.00 0.00 C ATOM 0 H PHE A 76 3.789 9.669 -11.548 1.00 0.00 H new ATOM 0 HA PHE A 76 2.851 9.954 -14.397 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.864 7.770 -12.502 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.054 7.343 -13.996 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.994 9.105 -12.559 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.122 7.664 -16.146 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.096 9.498 -13.813 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.225 8.055 -17.400 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.213 8.971 -16.234 1.00 0.00 H new ATOM 434 N GLU A 77 0.583 8.816 -14.112 1.00 0.00 N ATOM 435 CA GLU A 77 -0.860 8.521 -13.868 1.00 0.00 C ATOM 436 C GLU A 77 -1.380 7.517 -14.901 1.00 0.00 C ATOM 437 O GLU A 77 -0.651 7.072 -15.768 1.00 0.00 O ATOM 438 CB GLU A 77 -1.569 9.867 -14.023 1.00 0.00 C ATOM 439 CG GLU A 77 -2.691 9.978 -12.988 1.00 0.00 C ATOM 440 CD GLU A 77 -2.157 10.656 -11.726 1.00 0.00 C ATOM 441 OE1 GLU A 77 -1.720 11.790 -11.826 1.00 0.00 O ATOM 442 OE2 GLU A 77 -2.192 10.028 -10.681 1.00 0.00 O ATOM 0 H GLU A 77 0.878 8.749 -15.086 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.031 8.080 -12.886 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.857 10.682 -13.891 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.978 9.960 -15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.522 10.552 -13.398 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.076 8.987 -12.746 1.00 0.00 H new ATOM 449 N GLY A 78 -2.636 7.159 -14.809 1.00 0.00 N ATOM 450 CA GLY A 78 -3.216 6.184 -15.779 1.00 0.00 C ATOM 451 C GLY A 78 -3.425 4.838 -15.085 1.00 0.00 C ATOM 452 O GLY A 78 -2.729 4.499 -14.148 1.00 0.00 O ATOM 0 H GLY A 78 -3.286 7.502 -14.101 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.165 6.558 -16.164 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.550 6.065 -16.634 1.00 0.00 H new ATOM 456 N ARG A 79 -4.382 4.067 -15.541 1.00 0.00 N ATOM 457 CA ARG A 79 -4.643 2.735 -14.911 1.00 0.00 C ATOM 458 C ARG A 79 -3.403 1.845 -15.028 1.00 0.00 C ATOM 459 O ARG A 79 -3.080 1.094 -14.126 1.00 0.00 O ATOM 460 CB ARG A 79 -5.808 2.135 -15.701 1.00 0.00 C ATOM 461 CG ARG A 79 -6.444 1.001 -14.893 1.00 0.00 C ATOM 462 CD ARG A 79 -7.089 -0.008 -15.846 1.00 0.00 C ATOM 463 NE ARG A 79 -8.532 0.379 -15.896 1.00 0.00 N ATOM 464 CZ ARG A 79 -9.472 -0.515 -16.126 1.00 0.00 C ATOM 465 NH1 ARG A 79 -9.179 -1.729 -16.533 1.00 0.00 N ATOM 466 NH2 ARG A 79 -10.723 -0.183 -15.959 1.00 0.00 N ATOM 0 H ARG A 79 -4.994 4.303 -16.322 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.877 2.822 -13.850 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.550 2.904 -15.915 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.454 1.758 -16.661 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.688 0.508 -14.282 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.193 1.403 -14.211 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.634 0.036 -16.835 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.966 -1.029 -15.483 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.794 1.354 -15.749 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.206 -1.997 -16.678 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.925 -2.403 -16.704 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.964 0.760 -15.654 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.460 -0.866 -16.134 1.00 0.00 H new ATOM 480 N ASN A 80 -2.706 1.929 -16.132 1.00 0.00 N ATOM 481 CA ASN A 80 -1.481 1.097 -16.319 1.00 0.00 C ATOM 482 C ASN A 80 -0.241 1.993 -16.361 1.00 0.00 C ATOM 483 O ASN A 80 0.725 1.702 -17.039 1.00 0.00 O ATOM 484 CB ASN A 80 -1.681 0.393 -17.661 1.00 0.00 C ATOM 485 CG ASN A 80 -2.808 -0.634 -17.537 1.00 0.00 C ATOM 486 OD1 ASN A 80 -3.774 -0.585 -18.273 1.00 0.00 O ATOM 487 ND2 ASN A 80 -2.727 -1.568 -16.629 1.00 0.00 N ATOM 0 H ASN A 80 -2.934 2.541 -16.915 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.334 0.386 -15.506 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.923 1.123 -18.434 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.758 -0.100 -17.966 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.474 -2.256 -16.537 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.917 -1.610 -16.011 1.00 0.00 H new ATOM 494 N CYS A 81 -0.265 3.089 -15.638 1.00 0.00 N ATOM 495 CA CYS A 81 0.905 4.027 -15.621 1.00 0.00 C ATOM 496 C CYS A 81 1.302 4.424 -17.048 1.00 0.00 C ATOM 497 O CYS A 81 2.469 4.486 -17.383 1.00 0.00 O ATOM 498 CB CYS A 81 2.041 3.254 -14.943 1.00 0.00 C ATOM 499 SG CYS A 81 1.765 3.223 -13.155 1.00 0.00 S ATOM 0 H CYS A 81 -1.051 3.376 -15.055 1.00 0.00 H new ATOM 0 HA CYS A 81 0.672 4.951 -15.091 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.087 2.237 -15.333 1.00 0.00 H new ATOM 0 HB3 CYS A 81 2.999 3.724 -15.166 1.00 0.00 H new ATOM 504 N GLU A 82 0.333 4.694 -17.888 1.00 0.00 N ATOM 505 CA GLU A 82 0.643 5.088 -19.296 1.00 0.00 C ATOM 506 C GLU A 82 0.371 6.583 -19.506 1.00 0.00 C ATOM 507 O GLU A 82 0.121 7.023 -20.613 1.00 0.00 O ATOM 508 CB GLU A 82 -0.289 4.237 -20.168 1.00 0.00 C ATOM 509 CG GLU A 82 -1.752 4.507 -19.798 1.00 0.00 C ATOM 510 CD GLU A 82 -2.663 3.993 -20.914 1.00 0.00 C ATOM 511 OE1 GLU A 82 -2.878 4.730 -21.863 1.00 0.00 O ATOM 512 OE2 GLU A 82 -3.131 2.872 -20.800 1.00 0.00 O ATOM 0 H GLU A 82 -0.660 4.658 -17.658 1.00 0.00 H new ATOM 0 HA GLU A 82 1.691 4.923 -19.546 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.124 4.466 -21.221 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.061 3.180 -20.033 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.997 4.014 -18.857 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.909 5.575 -19.648 1.00 0.00 H new ATOM 519 N THR A 83 0.421 7.363 -18.455 1.00 0.00 N ATOM 520 CA THR A 83 0.167 8.829 -18.592 1.00 0.00 C ATOM 521 C THR A 83 1.142 9.617 -17.713 1.00 0.00 C ATOM 522 O THR A 83 0.964 9.722 -16.514 1.00 0.00 O ATOM 523 CB THR A 83 -1.271 9.029 -18.110 1.00 0.00 C ATOM 524 OG1 THR A 83 -2.141 8.197 -18.867 1.00 0.00 O ATOM 525 CG2 THR A 83 -1.674 10.493 -18.293 1.00 0.00 C ATOM 0 H THR A 83 0.627 7.047 -17.507 1.00 0.00 H new ATOM 0 HA THR A 83 0.306 9.179 -19.615 1.00 0.00 H new ATOM 0 HB THR A 83 -1.342 8.766 -17.055 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.063 8.322 -18.559 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.699 10.634 -17.949 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.006 11.130 -17.713 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.605 10.760 -19.347 1.00 0.00 H new ATOM 533 N HIS A 84 2.169 10.172 -18.305 1.00 0.00 N ATOM 534 CA HIS A 84 3.163 10.959 -17.511 1.00 0.00 C ATOM 535 C HIS A 84 2.587 12.333 -17.158 1.00 0.00 C ATOM 536 O HIS A 84 2.740 13.287 -17.897 1.00 0.00 O ATOM 537 CB HIS A 84 4.380 11.107 -18.426 1.00 0.00 C ATOM 538 CG HIS A 84 5.569 11.541 -17.614 1.00 0.00 C ATOM 539 ND1 HIS A 84 6.802 10.919 -17.718 1.00 0.00 N ATOM 540 CD2 HIS A 84 5.727 12.534 -16.679 1.00 0.00 C ATOM 541 CE1 HIS A 84 7.642 11.537 -16.867 1.00 0.00 C ATOM 542 NE2 HIS A 84 7.038 12.530 -16.210 1.00 0.00 N ATOM 0 H HIS A 84 2.363 10.115 -19.305 1.00 0.00 H new ATOM 0 HA HIS A 84 3.419 10.469 -16.571 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.592 10.160 -18.923 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.174 11.838 -19.208 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.953 13.214 -16.357 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.678 11.263 -16.732 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.449 13.152 -15.514 1.00 0.00 H new ATOM 550 N LYS A 85 1.927 12.437 -16.033 1.00 0.00 N ATOM 551 CA LYS A 85 1.336 13.747 -15.623 1.00 0.00 C ATOM 552 C LYS A 85 2.409 14.633 -14.983 1.00 0.00 C ATOM 553 O LYS A 85 2.556 14.669 -13.776 1.00 0.00 O ATOM 554 CB LYS A 85 0.254 13.394 -14.602 1.00 0.00 C ATOM 555 CG LYS A 85 -0.999 12.902 -15.332 1.00 0.00 C ATOM 556 CD LYS A 85 -1.788 14.101 -15.867 1.00 0.00 C ATOM 557 CE LYS A 85 -1.444 14.326 -17.342 1.00 0.00 C ATOM 558 NZ LYS A 85 -2.704 14.828 -17.957 1.00 0.00 N ATOM 0 H LYS A 85 1.771 11.670 -15.379 1.00 0.00 H new ATOM 0 HA LYS A 85 0.930 14.300 -16.470 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.618 12.623 -13.923 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.014 14.267 -13.994 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.718 12.243 -16.154 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.621 12.318 -14.654 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.858 13.924 -15.756 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.550 14.993 -15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.635 15.048 -17.453 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.114 13.402 -17.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.549 15.006 -18.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.454 14.117 -17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.990 15.712 -17.490 1.00 0.00 H new