USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 133 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 181 ASN : amide:sc= -0.729 K(o=-0.73,f=-2.4!) USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.2!) USER MOD Single : A 187 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.013) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 THR OG1 : rot 126:sc= 0.0615 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 193 THR OG1 : rot -75:sc= 1.19 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -11.370 0.457 -4.160 1.00 0.00 N ATOM 2 CA VAL A 180 -10.697 -0.194 -3.048 1.00 0.00 C ATOM 3 C VAL A 180 -9.284 -0.595 -3.476 1.00 0.00 C ATOM 4 O VAL A 180 -9.103 -1.591 -4.175 1.00 0.00 O ATOM 5 CB VAL A 180 -11.530 -1.378 -2.552 1.00 0.00 C ATOM 6 CG1 VAL A 180 -12.702 -0.902 -1.692 1.00 0.00 C ATOM 7 CG2 VAL A 180 -12.020 -2.231 -3.723 1.00 0.00 C ATOM 0 HA VAL A 180 -10.599 0.492 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.889 -2.001 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -13.278 -1.763 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -12.322 -0.357 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -13.343 -0.247 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -12.609 -3.066 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -12.637 -1.622 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -11.163 -2.614 -4.278 1.00 0.00 H new ATOM 17 N ASN A 181 -8.319 0.202 -3.041 1.00 0.00 N ATOM 18 CA ASN A 181 -6.928 -0.057 -3.370 1.00 0.00 C ATOM 19 C ASN A 181 -6.037 0.929 -2.613 1.00 0.00 C ATOM 20 O ASN A 181 -5.036 1.404 -3.148 1.00 0.00 O ATOM 21 CB ASN A 181 -6.673 0.130 -4.868 1.00 0.00 C ATOM 22 CG ASN A 181 -5.497 -0.730 -5.335 1.00 0.00 C ATOM 23 OD1 ASN A 181 -4.420 -0.720 -4.760 1.00 0.00 O ATOM 24 ND2 ASN A 181 -5.761 -1.471 -6.407 1.00 0.00 N ATOM 0 H ASN A 181 -8.473 1.028 -2.463 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.701 -1.086 -3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -7.569 -0.137 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -6.466 1.180 -5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -5.041 -2.079 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -6.684 -1.432 -6.839 1.00 0.00 H new ATOM 31 N ILE A 182 -6.432 1.207 -1.379 1.00 0.00 N ATOM 32 CA ILE A 182 -5.681 2.128 -0.543 1.00 0.00 C ATOM 33 C ILE A 182 -4.550 1.370 0.153 1.00 0.00 C ATOM 34 O ILE A 182 -3.381 1.731 0.018 1.00 0.00 O ATOM 35 CB ILE A 182 -6.616 2.860 0.422 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.338 4.010 -0.281 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.860 3.332 1.666 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.736 3.585 -0.736 1.00 0.00 C ATOM 0 H ILE A 182 -7.262 0.811 -0.938 1.00 0.00 H new ATOM 0 HA ILE A 182 -5.218 2.905 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.379 2.158 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.415 4.862 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.755 4.337 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.548 3.849 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.432 2.471 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.061 4.012 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.227 4.422 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.654 2.748 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.324 3.282 0.130 1.00 0.00 H new ATOM 50 N THR A 183 -4.935 0.334 0.883 1.00 0.00 N ATOM 51 CA THR A 183 -3.967 -0.478 1.601 1.00 0.00 C ATOM 52 C THR A 183 -3.047 -1.205 0.618 1.00 0.00 C ATOM 53 O THR A 183 -1.834 -1.253 0.817 1.00 0.00 O ATOM 54 CB THR A 183 -4.736 -1.424 2.526 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.104 -0.605 3.632 1.00 0.00 O ATOM 56 CG2 THR A 183 -3.839 -2.499 3.140 1.00 0.00 C ATOM 0 H THR A 183 -5.905 0.038 0.993 1.00 0.00 H new ATOM 0 HA THR A 183 -3.312 0.139 2.216 1.00 0.00 H new ATOM 0 HB THR A 183 -5.543 -1.900 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.609 -1.139 4.281 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.434 -3.143 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.391 -3.097 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.051 -2.025 3.725 1.00 0.00 H new ATOM 64 N ILE A 184 -3.658 -1.752 -0.422 1.00 0.00 N ATOM 65 CA ILE A 184 -2.909 -2.473 -1.436 1.00 0.00 C ATOM 66 C ILE A 184 -1.727 -1.618 -1.895 1.00 0.00 C ATOM 67 O ILE A 184 -0.578 -1.919 -1.577 1.00 0.00 O ATOM 68 CB ILE A 184 -3.834 -2.909 -2.576 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.824 -3.974 -2.102 1.00 0.00 C ATOM 70 CG2 ILE A 184 -3.026 -3.375 -3.788 1.00 0.00 C ATOM 71 CD1 ILE A 184 -6.233 -3.393 -1.969 1.00 0.00 C ATOM 0 H ILE A 184 -4.664 -1.710 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.495 -3.393 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.419 -2.045 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.835 -4.805 -2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.500 -4.375 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.706 -3.679 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.396 -2.558 -4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.399 -4.220 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.917 -4.171 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.224 -2.578 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.564 -3.015 -2.936 1.00 0.00 H new ATOM 83 N LYS A 185 -2.049 -0.569 -2.638 1.00 0.00 N ATOM 84 CA LYS A 185 -1.027 0.331 -3.144 1.00 0.00 C ATOM 85 C LYS A 185 0.022 0.567 -2.057 1.00 0.00 C ATOM 86 O LYS A 185 1.199 0.765 -2.357 1.00 0.00 O ATOM 87 CB LYS A 185 -1.663 1.618 -3.675 1.00 0.00 C ATOM 88 CG LYS A 185 -1.501 1.723 -5.193 1.00 0.00 C ATOM 89 CD LYS A 185 -2.204 2.970 -5.734 1.00 0.00 C ATOM 90 CE LYS A 185 -1.301 4.200 -5.621 1.00 0.00 C ATOM 91 NZ LYS A 185 -2.114 5.432 -5.515 1.00 0.00 N ATOM 0 H LYS A 185 -3.003 -0.323 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.511 -0.117 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.722 1.638 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.201 2.481 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.442 1.759 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.913 0.833 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -2.481 2.812 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -3.128 3.140 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -0.657 4.106 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.649 4.261 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -1.486 6.257 -5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -2.711 5.528 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -2.718 5.378 -4.670 1.00 0.00 H new ATOM 105 N GLN A 186 -0.440 0.538 -0.816 1.00 0.00 N ATOM 106 CA GLN A 186 0.444 0.747 0.317 1.00 0.00 C ATOM 107 C GLN A 186 1.304 -0.496 0.556 1.00 0.00 C ATOM 108 O GLN A 186 2.526 -0.399 0.660 1.00 0.00 O ATOM 109 CB GLN A 186 -0.350 1.112 1.573 1.00 0.00 C ATOM 110 CG GLN A 186 -0.097 2.565 1.980 1.00 0.00 C ATOM 111 CD GLN A 186 0.769 2.639 3.240 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.961 2.380 3.221 1.00 0.00 O ATOM 113 NE2 GLN A 186 0.105 3.007 4.331 1.00 0.00 N ATOM 0 H GLN A 186 -1.416 0.373 -0.570 1.00 0.00 H new ATOM 0 HA GLN A 186 1.104 1.584 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.414 0.962 1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.070 0.448 2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 186 0.396 3.094 1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.048 3.067 2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -0.893 3.209 4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.594 3.087 5.223 1.00 0.00 H new ATOM 122 N HIS A 187 0.633 -1.635 0.634 1.00 0.00 N ATOM 123 CA HIS A 187 1.320 -2.895 0.857 1.00 0.00 C ATOM 124 C HIS A 187 2.428 -3.068 -0.185 1.00 0.00 C ATOM 125 O HIS A 187 3.379 -3.818 0.033 1.00 0.00 O ATOM 126 CB HIS A 187 0.330 -4.061 0.866 1.00 0.00 C ATOM 127 CG HIS A 187 -0.078 -4.510 2.249 1.00 0.00 C ATOM 128 ND1 HIS A 187 -0.201 -5.844 2.597 1.00 0.00 N ATOM 129 CD2 HIS A 187 -0.386 -3.791 3.365 1.00 0.00 C ATOM 130 CE1 HIS A 187 -0.568 -5.912 3.868 1.00 0.00 C ATOM 131 NE2 HIS A 187 -0.683 -4.638 4.342 1.00 0.00 N ATOM 0 H HIS A 187 -0.380 -1.712 0.547 1.00 0.00 H new ATOM 0 HA HIS A 187 1.791 -2.886 1.840 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.562 -3.771 0.311 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.773 -4.905 0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -0.388 -2.714 3.441 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -0.745 -6.817 4.430 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -0.953 -4.379 5.291 1.00 0.00 H new ATOM 140 N THR A 188 2.270 -2.359 -1.293 1.00 0.00 N ATOM 141 CA THR A 188 3.244 -2.423 -2.368 1.00 0.00 C ATOM 142 C THR A 188 4.436 -1.514 -2.062 1.00 0.00 C ATOM 143 O THR A 188 5.527 -1.714 -2.596 1.00 0.00 O ATOM 144 CB THR A 188 2.531 -2.070 -3.674 1.00 0.00 C ATOM 145 OG1 THR A 188 1.701 -3.199 -3.933 1.00 0.00 O ATOM 146 CG2 THR A 188 3.486 -2.028 -4.870 1.00 0.00 C ATOM 0 H THR A 188 1.481 -1.737 -1.469 1.00 0.00 H new ATOM 0 HA THR A 188 3.657 -3.427 -2.468 1.00 0.00 H new ATOM 0 HB THR A 188 2.038 -1.103 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 188 1.200 -3.053 -4.763 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.929 -1.773 -5.772 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.256 -1.277 -4.695 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.954 -3.004 -4.997 1.00 0.00 H new ATOM 154 N VAL A 189 4.189 -0.535 -1.205 1.00 0.00 N ATOM 155 CA VAL A 189 5.229 0.405 -0.822 1.00 0.00 C ATOM 156 C VAL A 189 6.194 -0.277 0.150 1.00 0.00 C ATOM 157 O VAL A 189 7.250 0.269 0.466 1.00 0.00 O ATOM 158 CB VAL A 189 4.599 1.676 -0.246 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.674 2.639 0.260 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.695 2.355 -1.277 1.00 0.00 C ATOM 0 H VAL A 189 3.284 -0.372 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 189 5.808 0.711 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 189 3.980 1.388 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.200 3.534 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.259 2.154 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.331 2.917 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.260 3.255 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.282 2.623 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.898 1.671 -1.568 1.00 0.00 H new ATOM 170 N THR A 190 5.797 -1.459 0.597 1.00 0.00 N ATOM 171 CA THR A 190 6.614 -2.221 1.525 1.00 0.00 C ATOM 172 C THR A 190 8.072 -2.238 1.063 1.00 0.00 C ATOM 173 O THR A 190 8.971 -1.876 1.820 1.00 0.00 O ATOM 174 CB THR A 190 6.002 -3.617 1.658 1.00 0.00 C ATOM 175 OG1 THR A 190 4.681 -3.374 2.134 1.00 0.00 O ATOM 176 CG2 THR A 190 6.654 -4.439 2.773 1.00 0.00 C ATOM 0 H THR A 190 4.920 -1.908 0.333 1.00 0.00 H new ATOM 0 HA THR A 190 6.625 -1.760 2.513 1.00 0.00 H new ATOM 0 HB THR A 190 6.100 -4.147 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.035 -3.816 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.183 -5.421 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.717 -4.557 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 190 6.527 -3.925 3.726 1.00 0.00 H new ATOM 184 N THR A 191 8.261 -2.663 -0.178 1.00 0.00 N ATOM 185 CA THR A 191 9.594 -2.732 -0.750 1.00 0.00 C ATOM 186 C THR A 191 10.299 -1.379 -0.626 1.00 0.00 C ATOM 187 O THR A 191 11.522 -1.302 -0.720 1.00 0.00 O ATOM 188 CB THR A 191 9.465 -3.219 -2.194 1.00 0.00 C ATOM 189 OG1 THR A 191 9.158 -4.605 -2.067 1.00 0.00 O ATOM 190 CG2 THR A 191 10.800 -3.201 -2.941 1.00 0.00 C ATOM 0 H THR A 191 7.513 -2.963 -0.803 1.00 0.00 H new ATOM 0 HA THR A 191 10.220 -3.440 -0.208 1.00 0.00 H new ATOM 0 HB THR A 191 8.745 -2.595 -2.723 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.055 -5.000 -2.958 1.00 0.00 H new ATOM 0 HG21 THR A 191 10.651 -3.556 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 191 11.190 -2.183 -2.964 1.00 0.00 H new ATOM 0 HG23 THR A 191 11.511 -3.851 -2.431 1.00 0.00 H new ATOM 198 N THR A 192 9.495 -0.346 -0.418 1.00 0.00 N ATOM 199 CA THR A 192 10.026 0.999 -0.280 1.00 0.00 C ATOM 200 C THR A 192 10.058 1.412 1.192 1.00 0.00 C ATOM 201 O THR A 192 11.127 1.502 1.793 1.00 0.00 O ATOM 202 CB THR A 192 9.186 1.931 -1.155 1.00 0.00 C ATOM 203 OG1 THR A 192 9.853 1.922 -2.413 1.00 0.00 O ATOM 204 CG2 THR A 192 9.264 3.389 -0.700 1.00 0.00 C ATOM 0 H THR A 192 8.480 -0.414 -0.342 1.00 0.00 H new ATOM 0 HA THR A 192 11.060 1.053 -0.622 1.00 0.00 H new ATOM 0 HB THR A 192 8.147 1.603 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 192 9.373 2.500 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 192 8.650 4.008 -1.355 1.00 0.00 H new ATOM 0 HG22 THR A 192 8.899 3.471 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 192 10.299 3.729 -0.745 1.00 0.00 H new ATOM 212 N THR A 193 8.871 1.652 1.732 1.00 0.00 N ATOM 213 CA THR A 193 8.749 2.054 3.123 1.00 0.00 C ATOM 214 C THR A 193 7.289 2.359 3.464 1.00 0.00 C ATOM 215 O THR A 193 6.964 3.470 3.880 1.00 0.00 O ATOM 216 CB THR A 193 9.688 3.239 3.358 1.00 0.00 C ATOM 217 OG1 THR A 193 9.226 3.812 4.577 1.00 0.00 O ATOM 218 CG2 THR A 193 9.496 4.352 2.326 1.00 0.00 C ATOM 0 H THR A 193 7.986 1.576 1.231 1.00 0.00 H new ATOM 0 HA THR A 193 9.046 1.248 3.794 1.00 0.00 H new ATOM 0 HB THR A 193 10.721 2.894 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 193 8.393 4.302 4.413 1.00 0.00 H new ATOM 0 HG21 THR A 193 10.186 5.168 2.539 1.00 0.00 H new ATOM 0 HG22 THR A 193 9.693 3.961 1.328 1.00 0.00 H new ATOM 0 HG23 THR A 193 8.472 4.721 2.375 1.00 0.00 H new ATOM 226 N LYS A 194 6.448 1.353 3.275 1.00 0.00 N ATOM 227 CA LYS A 194 5.030 1.500 3.558 1.00 0.00 C ATOM 228 C LYS A 194 4.826 1.627 5.069 1.00 0.00 C ATOM 229 O LYS A 194 3.926 2.333 5.519 1.00 0.00 O ATOM 230 CB LYS A 194 4.236 0.355 2.923 1.00 0.00 C ATOM 231 CG LYS A 194 4.052 -0.798 3.912 1.00 0.00 C ATOM 232 CD LYS A 194 2.864 -0.541 4.840 1.00 0.00 C ATOM 233 CE LYS A 194 2.101 -1.834 5.127 1.00 0.00 C ATOM 234 NZ LYS A 194 1.143 -1.637 6.238 1.00 0.00 N ATOM 0 H LYS A 194 6.721 0.433 2.929 1.00 0.00 H new ATOM 0 HA LYS A 194 4.644 2.414 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 194 3.261 0.720 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 194 4.755 -0.003 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 194 3.897 -1.729 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 194 4.959 -0.923 4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 194 3.217 -0.108 5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 194 2.193 0.187 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 194 1.568 -2.154 4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 194 2.803 -2.628 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 0.634 -2.526 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 1.659 -1.353 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 0.462 -0.894 5.982 1.00 0.00 H new ATOM 248 N GLY A 195 5.677 0.931 5.809 1.00 0.00 N ATOM 249 CA GLY A 195 5.601 0.958 7.259 1.00 0.00 C ATOM 250 C GLY A 195 6.990 0.808 7.884 1.00 0.00 C ATOM 251 O GLY A 195 7.997 1.117 7.249 1.00 0.00 O ATOM 0 H GLY A 195 6.422 0.346 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 195 5.151 1.895 7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 195 4.953 0.154 7.608 1.00 0.00 H new TER 255 GLY A 195