USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 147 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 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -30:sc= 1.09 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -118:sc= -1.83 (180deg=-5.62!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 148:sc= -0.284 (180deg=-1.18!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 55 2.636 14.203 -8.245 1.00 0.00 N ATOM 2 CA GLY A 55 2.452 13.051 -9.170 1.00 0.00 C ATOM 3 C GLY A 55 3.404 11.908 -8.870 1.00 0.00 C ATOM 4 O GLY A 55 4.359 11.684 -9.613 1.00 0.00 O ATOM 0 HA2 GLY A 55 1.425 12.693 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.603 13.385 -10.196 1.00 0.00 H new ATOM 10 N PRO A 56 3.166 11.160 -7.779 1.00 0.00 N ATOM 11 CA PRO A 56 4.006 10.039 -7.389 1.00 0.00 C ATOM 12 C PRO A 56 3.524 8.721 -7.981 1.00 0.00 C ATOM 13 O PRO A 56 4.242 8.063 -8.734 1.00 0.00 O ATOM 14 CB PRO A 56 3.858 10.035 -5.869 1.00 0.00 C ATOM 15 CG PRO A 56 2.486 10.576 -5.604 1.00 0.00 C ATOM 16 CD PRO A 56 2.055 11.348 -6.834 1.00 0.00 C ATOM 0 HA PRO A 56 5.033 10.140 -7.740 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.969 9.028 -5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.622 10.653 -5.398 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.788 9.765 -5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.492 11.224 -4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.118 10.965 -7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.897 12.403 -6.608 1.00 0.00 H new ATOM 24 N GLU A 57 2.297 8.350 -7.634 1.00 0.00 N ATOM 25 CA GLU A 57 1.683 7.120 -8.115 1.00 0.00 C ATOM 26 C GLU A 57 2.671 5.955 -8.102 1.00 0.00 C ATOM 27 O GLU A 57 2.604 5.062 -8.946 1.00 0.00 O ATOM 28 CB GLU A 57 1.130 7.328 -9.525 1.00 0.00 C ATOM 29 CG GLU A 57 -0.090 6.475 -9.832 1.00 0.00 C ATOM 30 CD GLU A 57 -1.148 7.231 -10.611 1.00 0.00 C ATOM 31 OE1 GLU A 57 -0.780 7.973 -11.546 1.00 0.00 O ATOM 32 OE2 GLU A 57 -2.345 7.081 -10.287 1.00 0.00 O ATOM 0 H GLU A 57 1.700 8.894 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 57 0.865 6.868 -7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.870 8.379 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.912 7.103 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.218 5.598 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.520 6.113 -8.898 1.00 0.00 H new ATOM 39 N ALA A 58 3.586 5.973 -7.138 1.00 0.00 N ATOM 40 CA ALA A 58 4.586 4.919 -7.015 1.00 0.00 C ATOM 41 C ALA A 58 4.774 4.509 -5.558 1.00 0.00 C ATOM 42 O ALA A 58 4.479 3.376 -5.179 1.00 0.00 O ATOM 43 CB ALA A 58 5.908 5.375 -7.612 1.00 0.00 C ATOM 0 H ALA A 58 3.655 6.705 -6.431 1.00 0.00 H new ATOM 0 HA ALA A 58 4.232 4.049 -7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.646 4.579 -7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.768 5.612 -8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.259 6.262 -7.084 1.00 0.00 H new ATOM 49 N SER A 59 5.268 5.438 -4.746 1.00 0.00 N ATOM 50 CA SER A 59 5.496 5.173 -3.330 1.00 0.00 C ATOM 51 C SER A 59 4.193 4.803 -2.630 1.00 0.00 C ATOM 52 O SER A 59 4.189 4.023 -1.677 1.00 0.00 O ATOM 53 CB SER A 59 6.122 6.395 -2.656 1.00 0.00 C ATOM 54 OG SER A 59 7.024 6.008 -1.634 1.00 0.00 O ATOM 0 H SER A 59 5.518 6.381 -5.044 1.00 0.00 H new ATOM 0 HA SER A 59 6.183 4.331 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.646 6.996 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.337 7.023 -2.234 1.00 0.00 H new ATOM 0 HG SER A 59 7.412 6.807 -1.220 1.00 0.00 H new ATOM 60 N ALA A 60 3.088 5.366 -3.108 1.00 0.00 N ATOM 61 CA ALA A 60 1.779 5.095 -2.528 1.00 0.00 C ATOM 62 C ALA A 60 1.280 3.710 -2.923 1.00 0.00 C ATOM 63 O ALA A 60 0.754 2.968 -2.093 1.00 0.00 O ATOM 64 CB ALA A 60 0.781 6.160 -2.957 1.00 0.00 C ATOM 0 H ALA A 60 3.074 6.013 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 60 1.877 5.121 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.193 5.945 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.124 7.138 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.695 6.162 -4.044 1.00 0.00 H new ATOM 70 N PHE A 61 1.448 3.366 -4.196 1.00 0.00 N ATOM 71 CA PHE A 61 1.014 2.068 -4.700 1.00 0.00 C ATOM 72 C PHE A 61 1.728 0.938 -3.973 1.00 0.00 C ATOM 73 O PHE A 61 1.168 -0.140 -3.776 1.00 0.00 O ATOM 74 CB PHE A 61 1.272 1.969 -6.203 1.00 0.00 C ATOM 75 CG PHE A 61 0.800 0.678 -6.813 1.00 0.00 C ATOM 76 CD1 PHE A 61 -0.403 0.109 -6.423 1.00 0.00 C ATOM 77 CD2 PHE A 61 1.559 0.036 -7.777 1.00 0.00 C ATOM 78 CE1 PHE A 61 -0.838 -1.076 -6.984 1.00 0.00 C ATOM 79 CE2 PHE A 61 1.129 -1.151 -8.341 1.00 0.00 C ATOM 80 CZ PHE A 61 -0.071 -1.707 -7.944 1.00 0.00 C ATOM 0 H PHE A 61 1.881 3.967 -4.897 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.056 1.974 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.775 2.800 -6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.341 2.079 -6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.006 0.598 -5.672 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.498 0.467 -8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.777 -1.509 -6.672 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.731 -1.643 -9.091 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.409 -2.634 -8.383 1.00 0.00 H new ATOM 90 N THR A 62 2.966 1.194 -3.567 1.00 0.00 N ATOM 91 CA THR A 62 3.754 0.200 -2.850 1.00 0.00 C ATOM 92 C THR A 62 3.411 0.202 -1.361 1.00 0.00 C ATOM 93 O THR A 62 4.038 -0.505 -0.572 1.00 0.00 O ATOM 94 CB THR A 62 5.247 0.467 -3.042 1.00 0.00 C ATOM 95 OG1 THR A 62 6.022 -0.483 -2.333 1.00 0.00 O ATOM 96 CG2 THR A 62 5.673 1.844 -2.579 1.00 0.00 C ATOM 0 H THR A 62 3.445 2.081 -3.722 1.00 0.00 H new ATOM 0 HA THR A 62 3.512 -0.781 -3.258 1.00 0.00 H new ATOM 0 HB THR A 62 5.418 0.393 -4.116 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.531 -0.777 -1.537 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.743 1.968 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.129 2.602 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.454 1.955 -1.517 1.00 0.00 H new ATOM 104 N LYS A 63 2.412 0.998 -0.980 1.00 0.00 N ATOM 105 CA LYS A 63 1.993 1.084 0.414 1.00 0.00 C ATOM 106 C LYS A 63 0.545 0.631 0.573 1.00 0.00 C ATOM 107 O LYS A 63 0.243 -0.240 1.388 1.00 0.00 O ATOM 108 CB LYS A 63 2.154 2.515 0.930 1.00 0.00 C ATOM 109 CG LYS A 63 3.018 2.618 2.176 1.00 0.00 C ATOM 110 CD LYS A 63 2.216 2.333 3.435 1.00 0.00 C ATOM 111 CE LYS A 63 2.347 0.880 3.863 1.00 0.00 C ATOM 112 NZ LYS A 63 3.507 0.671 4.772 1.00 0.00 N ATOM 0 H LYS A 63 1.880 1.590 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 63 2.629 0.422 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.591 3.129 0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.169 2.928 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.847 1.914 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.452 3.616 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.558 2.983 4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.166 2.568 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.432 0.565 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.459 0.250 2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.561 -0.332 5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.384 0.947 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.388 1.252 5.626 1.00 0.00 H new ATOM 126 N LYS A 64 -0.346 1.227 -0.214 1.00 0.00 N ATOM 127 CA LYS A 64 -1.759 0.888 -0.165 1.00 0.00 C ATOM 128 C LYS A 64 -1.971 -0.600 -0.424 1.00 0.00 C ATOM 129 O LYS A 64 -2.810 -1.237 0.211 1.00 0.00 O ATOM 130 CB LYS A 64 -2.528 1.717 -1.192 1.00 0.00 C ATOM 131 CG LYS A 64 -2.162 1.397 -2.632 1.00 0.00 C ATOM 132 CD LYS A 64 -2.940 2.262 -3.610 1.00 0.00 C ATOM 133 CE LYS A 64 -2.411 3.687 -3.638 1.00 0.00 C ATOM 134 NZ LYS A 64 -3.501 4.681 -3.840 1.00 0.00 N ATOM 0 H LYS A 64 -0.110 1.949 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.134 1.116 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.596 1.552 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.342 2.775 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.093 1.551 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.364 0.345 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.877 1.830 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.994 2.270 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.894 3.901 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.677 3.786 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.098 5.640 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.978 4.494 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.189 4.605 -3.063 1.00 0.00 H new ATOM 148 N MET A 65 -1.201 -1.149 -1.359 1.00 0.00 N ATOM 149 CA MET A 65 -1.302 -2.564 -1.695 1.00 0.00 C ATOM 150 C MET A 65 -0.999 -3.423 -0.475 1.00 0.00 C ATOM 151 O MET A 65 -1.768 -4.319 -0.126 1.00 0.00 O ATOM 152 CB MET A 65 -0.343 -2.910 -2.833 1.00 0.00 C ATOM 153 CG MET A 65 -0.379 -4.374 -3.238 1.00 0.00 C ATOM 154 SD MET A 65 0.815 -5.375 -2.330 1.00 0.00 S ATOM 155 CE MET A 65 -0.278 -6.419 -1.371 1.00 0.00 C ATOM 0 H MET A 65 -0.502 -0.636 -1.896 1.00 0.00 H new ATOM 0 HA MET A 65 -2.322 -2.769 -2.022 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.586 -2.296 -3.700 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.672 -2.650 -2.533 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.381 -4.769 -3.070 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.179 -4.457 -4.306 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.115 -6.238 -0.309 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.313 -6.190 -1.623 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.072 -7.465 -1.596 1.00 0.00 H new ATOM 165 N VAL A 66 0.119 -3.132 0.182 1.00 0.00 N ATOM 166 CA VAL A 66 0.512 -3.869 1.378 1.00 0.00 C ATOM 167 C VAL A 66 -0.567 -3.740 2.443 1.00 0.00 C ATOM 168 O VAL A 66 -0.808 -4.662 3.222 1.00 0.00 O ATOM 169 CB VAL A 66 1.848 -3.362 1.960 1.00 0.00 C ATOM 170 CG1 VAL A 66 2.478 -4.421 2.851 1.00 0.00 C ATOM 171 CG2 VAL A 66 2.806 -2.954 0.850 1.00 0.00 C ATOM 0 H VAL A 66 0.767 -2.394 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 66 0.640 -4.911 1.086 1.00 0.00 H new ATOM 0 HB VAL A 66 1.641 -2.480 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.419 -4.046 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.801 -4.655 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.666 -5.322 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.740 -2.600 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.007 -3.813 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.358 -2.156 0.258 1.00 0.00 H new ATOM 181 N GLU A 67 -1.220 -2.583 2.455 1.00 0.00 N ATOM 182 CA GLU A 67 -2.286 -2.309 3.405 1.00 0.00 C ATOM 183 C GLU A 67 -3.590 -2.962 2.954 1.00 0.00 C ATOM 184 O GLU A 67 -4.455 -3.273 3.772 1.00 0.00 O ATOM 185 CB GLU A 67 -2.478 -0.798 3.551 1.00 0.00 C ATOM 186 CG GLU A 67 -3.636 -0.410 4.458 1.00 0.00 C ATOM 187 CD GLU A 67 -4.875 -0.011 3.680 1.00 0.00 C ATOM 188 OE1 GLU A 67 -5.684 -0.904 3.352 1.00 0.00 O ATOM 189 OE2 GLU A 67 -5.036 1.195 3.400 1.00 0.00 O ATOM 0 H GLU A 67 -1.026 -1.816 1.811 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.007 -2.729 4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.560 -0.361 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.641 -0.365 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.876 -1.247 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.330 0.418 5.098 1.00 0.00 H new ATOM 196 N ASN A 68 -3.724 -3.169 1.644 1.00 0.00 N ATOM 197 CA ASN A 68 -4.923 -3.785 1.088 1.00 0.00 C ATOM 198 C ASN A 68 -5.167 -5.160 1.705 1.00 0.00 C ATOM 199 O ASN A 68 -6.309 -5.605 1.821 1.00 0.00 O ATOM 200 CB ASN A 68 -4.799 -3.907 -0.433 1.00 0.00 C ATOM 201 CG ASN A 68 -6.019 -3.374 -1.157 1.00 0.00 C ATOM 202 OD1 ASN A 68 -6.955 -4.118 -1.452 1.00 0.00 O ATOM 203 ND2 ASN A 68 -6.015 -2.078 -1.449 1.00 0.00 N ATOM 0 H ASN A 68 -3.018 -2.919 0.952 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.774 -3.147 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.915 -3.364 -0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.650 -4.953 -0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.809 -1.663 -1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.218 -1.498 -1.186 1.00 0.00 H new ATOM 210 N ALA A 69 -4.087 -5.826 2.099 1.00 0.00 N ATOM 211 CA ALA A 69 -4.184 -7.149 2.705 1.00 0.00 C ATOM 212 C ALA A 69 -3.099 -7.353 3.756 1.00 0.00 C ATOM 213 O ALA A 69 -2.556 -8.449 3.898 1.00 0.00 O ATOM 214 CB ALA A 69 -4.096 -8.227 1.635 1.00 0.00 C ATOM 0 H ALA A 69 -3.135 -5.472 2.010 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.151 -7.224 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.170 -9.209 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.912 -8.101 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.143 -8.144 1.112 1.00 0.00 H new ATOM 220 N LYS A 70 -2.789 -6.291 4.492 1.00 0.00 N ATOM 221 CA LYS A 70 -1.770 -6.354 5.534 1.00 0.00 C ATOM 222 C LYS A 70 -2.154 -7.359 6.618 1.00 0.00 C ATOM 223 O LYS A 70 -1.303 -7.815 7.382 1.00 0.00 O ATOM 224 CB LYS A 70 -1.562 -4.972 6.156 1.00 0.00 C ATOM 225 CG LYS A 70 -0.488 -4.944 7.231 1.00 0.00 C ATOM 226 CD LYS A 70 0.254 -3.617 7.243 1.00 0.00 C ATOM 227 CE LYS A 70 -0.347 -2.653 8.253 1.00 0.00 C ATOM 228 NZ LYS A 70 0.163 -2.901 9.630 1.00 0.00 N ATOM 0 H LYS A 70 -3.228 -5.377 4.386 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.839 -6.684 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.296 -4.265 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.504 -4.631 6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.943 -5.116 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.219 -5.756 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.304 -3.788 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.221 -3.171 6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.116 -1.629 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.433 -2.749 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.271 -2.223 10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.080 -3.870 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.196 -2.784 9.644 1.00 0.00 H new ATOM 242 N LYS A 71 -3.439 -7.701 6.682 1.00 0.00 N ATOM 243 CA LYS A 71 -3.933 -8.650 7.675 1.00 0.00 C ATOM 244 C LYS A 71 -3.882 -8.045 9.073 1.00 0.00 C ATOM 245 O LYS A 71 -3.565 -8.730 10.047 1.00 0.00 O ATOM 246 CB LYS A 71 -3.116 -9.945 7.634 1.00 0.00 C ATOM 247 CG LYS A 71 -2.843 -10.448 6.226 1.00 0.00 C ATOM 248 CD LYS A 71 -4.132 -10.643 5.444 1.00 0.00 C ATOM 249 CE LYS A 71 -4.032 -11.821 4.489 1.00 0.00 C ATOM 250 NZ LYS A 71 -3.701 -13.086 5.201 1.00 0.00 N ATOM 0 H LYS A 71 -4.157 -7.334 6.057 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.971 -8.881 7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.166 -9.782 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.647 -10.718 8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.203 -9.738 5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.299 -11.392 6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.958 -10.804 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.359 -9.737 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.977 -11.939 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.268 -11.616 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.146 -13.888 4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.669 -13.217 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.057 -13.038 6.177 1.00 0.00 H new ATOM 264 N ILE A 72 -4.196 -6.757 9.165 1.00 0.00 N ATOM 265 CA ILE A 72 -4.186 -6.058 10.444 1.00 0.00 C ATOM 266 C ILE A 72 -5.256 -6.610 11.380 1.00 0.00 C ATOM 267 O ILE A 72 -5.681 -7.767 11.176 1.00 0.00 O ATOM 268 CB ILE A 72 -4.414 -4.546 10.260 1.00 0.00 C ATOM 269 CG1 ILE A 72 -5.735 -4.291 9.531 1.00 0.00 C ATOM 270 CG2 ILE A 72 -3.253 -3.925 9.497 1.00 0.00 C ATOM 271 CD1 ILE A 72 -6.084 -2.824 9.411 1.00 0.00 C ATOM 272 OXT ILE A 72 -5.660 -5.882 12.311 1.00 0.00 O ATOM 0 H ILE A 72 -4.460 -6.177 8.369 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.202 -6.219 10.884 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.469 -4.080 11.244 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.680 -4.726 8.533 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.538 -4.805 10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.428 -2.856 9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.328 -4.080 10.053 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.170 -4.394 8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.032 -2.717 8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.171 -2.388 10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.300 -2.308 8.856 1.00 0.00 H new TER 284 ILE A 72