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= -0.329 K(o=-0.33,f=-4.9!) 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= -0.205 K(o=-0.21,f=-1.5!) USER MOD Single : A 187 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.0028) USER MOD Single : A 188 THR OG1 : rot 115:sc= 1.07 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -67:sc= 1.2 USER MOD Single : A 192 THR OG1 : rot 56:sc= 1.22 USER MOD Single : A 193 THR OG1 : rot -68:sc= 0.171 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -11.063 -1.925 -3.226 1.00 0.00 N ATOM 2 CA VAL A 180 -10.114 -1.020 -2.602 1.00 0.00 C ATOM 3 C VAL A 180 -8.722 -1.262 -3.191 1.00 0.00 C ATOM 4 O VAL A 180 -8.341 -2.404 -3.443 1.00 0.00 O ATOM 5 CB VAL A 180 -10.157 -1.184 -1.082 1.00 0.00 C ATOM 6 CG1 VAL A 180 -9.007 -0.422 -0.416 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.508 -0.738 -0.520 1.00 0.00 C ATOM 0 HA VAL A 180 -10.380 0.016 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.034 -2.243 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -9.060 -0.555 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -8.055 -0.807 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -9.086 0.638 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.512 -0.865 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -11.674 0.312 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -12.302 -1.342 -0.959 1.00 0.00 H new ATOM 17 N ASN A 181 -8.002 -0.168 -3.393 1.00 0.00 N ATOM 18 CA ASN A 181 -6.661 -0.247 -3.947 1.00 0.00 C ATOM 19 C ASN A 181 -5.734 0.683 -3.162 1.00 0.00 C ATOM 20 O ASN A 181 -4.649 1.026 -3.631 1.00 0.00 O ATOM 21 CB ASN A 181 -6.644 0.194 -5.412 1.00 0.00 C ATOM 22 CG ASN A 181 -7.006 1.675 -5.543 1.00 0.00 C ATOM 23 OD1 ASN A 181 -7.596 2.277 -4.660 1.00 0.00 O ATOM 24 ND2 ASN A 181 -6.621 2.227 -6.690 1.00 0.00 N ATOM 0 H ASN A 181 -8.322 0.777 -3.183 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.328 -1.283 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -5.656 0.019 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -7.349 -0.408 -5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -6.816 3.211 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -6.131 1.666 -7.387 1.00 0.00 H new ATOM 31 N ILE A 182 -6.193 1.065 -1.980 1.00 0.00 N ATOM 32 CA ILE A 182 -5.419 1.948 -1.124 1.00 0.00 C ATOM 33 C ILE A 182 -4.418 1.120 -0.316 1.00 0.00 C ATOM 34 O ILE A 182 -3.211 1.339 -0.406 1.00 0.00 O ATOM 35 CB ILE A 182 -6.345 2.806 -0.262 1.00 0.00 C ATOM 36 CG1 ILE A 182 -6.934 3.964 -1.072 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.625 3.296 0.997 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.438 3.778 -1.280 1.00 0.00 C ATOM 0 H ILE A 182 -7.093 0.779 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 182 -4.841 2.650 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.179 2.185 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -6.748 4.906 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.435 4.027 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.306 3.904 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.296 2.439 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -4.760 3.894 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.832 4.614 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.619 2.848 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -8.937 3.740 -0.312 1.00 0.00 H new ATOM 50 N THR A 183 -4.957 0.187 0.455 1.00 0.00 N ATOM 51 CA THR A 183 -4.125 -0.675 1.278 1.00 0.00 C ATOM 52 C THR A 183 -3.129 -1.443 0.409 1.00 0.00 C ATOM 53 O THR A 183 -1.981 -1.643 0.803 1.00 0.00 O ATOM 54 CB THR A 183 -5.049 -1.583 2.094 1.00 0.00 C ATOM 55 OG1 THR A 183 -5.333 -0.827 3.267 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.330 -2.828 2.618 1.00 0.00 C ATOM 0 H THR A 183 -5.959 0.009 0.527 1.00 0.00 H new ATOM 0 HA THR A 183 -3.519 -0.094 1.973 1.00 0.00 H new ATOM 0 HB THR A 183 -5.897 -1.884 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.928 -1.341 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 183 -5.029 -3.438 3.190 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.946 -3.407 1.778 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.502 -2.527 3.260 1.00 0.00 H new ATOM 64 N ILE A 184 -3.604 -1.855 -0.757 1.00 0.00 N ATOM 65 CA ILE A 184 -2.769 -2.597 -1.686 1.00 0.00 C ATOM 66 C ILE A 184 -1.564 -1.740 -2.079 1.00 0.00 C ATOM 67 O ILE A 184 -0.433 -2.224 -2.098 1.00 0.00 O ATOM 68 CB ILE A 184 -3.595 -3.083 -2.879 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.531 -4.221 -2.472 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.691 -3.475 -4.049 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.997 -3.798 -2.594 1.00 0.00 C ATOM 0 H ILE A 184 -4.557 -1.689 -1.080 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.378 -3.497 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.221 -2.258 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.347 -5.091 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.320 -4.520 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.303 -3.817 -4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -2.103 -2.611 -4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.021 -4.277 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.641 -4.627 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -6.184 -2.943 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.212 -3.523 -3.627 1.00 0.00 H new ATOM 83 N LYS A 185 -1.848 -0.482 -2.384 1.00 0.00 N ATOM 84 CA LYS A 185 -0.801 0.446 -2.776 1.00 0.00 C ATOM 85 C LYS A 185 0.111 0.716 -1.577 1.00 0.00 C ATOM 86 O LYS A 185 1.276 1.074 -1.748 1.00 0.00 O ATOM 87 CB LYS A 185 -1.409 1.712 -3.383 1.00 0.00 C ATOM 88 CG LYS A 185 -0.414 2.405 -4.317 1.00 0.00 C ATOM 89 CD LYS A 185 -0.527 1.856 -5.741 1.00 0.00 C ATOM 90 CE LYS A 185 0.574 2.427 -6.637 1.00 0.00 C ATOM 91 NZ LYS A 185 0.944 1.453 -7.688 1.00 0.00 N ATOM 0 H LYS A 185 -2.787 -0.084 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.179 0.011 -3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.314 1.457 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.703 2.396 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.601 3.479 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 185 0.601 2.259 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.458 0.768 -5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -1.504 2.106 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 185 0.233 3.355 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.449 2.672 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 1.692 1.856 -8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.290 0.578 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 0.110 1.239 -8.272 1.00 0.00 H new ATOM 105 N GLN A 186 -0.453 0.533 -0.393 1.00 0.00 N ATOM 106 CA GLN A 186 0.295 0.752 0.834 1.00 0.00 C ATOM 107 C GLN A 186 1.272 -0.402 1.073 1.00 0.00 C ATOM 108 O GLN A 186 2.477 -0.187 1.188 1.00 0.00 O ATOM 109 CB GLN A 186 -0.646 0.929 2.026 1.00 0.00 C ATOM 110 CG GLN A 186 -0.596 2.364 2.556 1.00 0.00 C ATOM 111 CD GLN A 186 0.146 2.429 3.893 1.00 0.00 C ATOM 112 OE1 GLN A 186 0.889 1.535 4.264 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.096 3.533 4.592 1.00 0.00 N ATOM 0 H GLN A 186 -1.419 0.236 -0.256 1.00 0.00 H new ATOM 0 HA GLN A 186 0.869 1.672 0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.665 0.683 1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.369 0.235 2.819 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.100 3.007 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.610 2.745 2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -0.729 4.242 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.352 3.671 5.498 1.00 0.00 H new ATOM 122 N HIS A 187 0.714 -1.603 1.140 1.00 0.00 N ATOM 123 CA HIS A 187 1.520 -2.790 1.364 1.00 0.00 C ATOM 124 C HIS A 187 2.579 -2.906 0.265 1.00 0.00 C ATOM 125 O HIS A 187 3.560 -3.631 0.418 1.00 0.00 O ATOM 126 CB HIS A 187 0.637 -4.035 1.468 1.00 0.00 C ATOM 127 CG HIS A 187 0.452 -4.540 2.880 1.00 0.00 C ATOM 128 ND1 HIS A 187 0.287 -5.880 3.182 1.00 0.00 N ATOM 129 CD2 HIS A 187 0.410 -3.870 4.068 1.00 0.00 C ATOM 130 CE1 HIS A 187 0.151 -6.000 4.494 1.00 0.00 C ATOM 131 NE2 HIS A 187 0.227 -4.754 5.040 1.00 0.00 N ATOM 0 H HIS A 187 -0.286 -1.778 1.043 1.00 0.00 H new ATOM 0 HA HIS A 187 2.042 -2.704 2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.341 -3.811 1.042 1.00 0.00 H new ATOM 0 HB3 HIS A 187 1.074 -4.830 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 187 0.509 -2.802 4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 187 0.005 -6.923 5.036 1.00 0.00 H new ATOM 0 HE2 HIS A 187 0.155 -4.536 6.034 1.00 0.00 H new ATOM 140 N THR A 188 2.343 -2.180 -0.818 1.00 0.00 N ATOM 141 CA THR A 188 3.264 -2.193 -1.943 1.00 0.00 C ATOM 142 C THR A 188 4.393 -1.184 -1.718 1.00 0.00 C ATOM 143 O THR A 188 5.454 -1.289 -2.330 1.00 0.00 O ATOM 144 CB THR A 188 2.459 -1.929 -3.216 1.00 0.00 C ATOM 145 OG1 THR A 188 1.518 -2.999 -3.259 1.00 0.00 O ATOM 146 CG2 THR A 188 3.293 -2.115 -4.485 1.00 0.00 C ATOM 0 H THR A 188 1.528 -1.579 -0.941 1.00 0.00 H new ATOM 0 HA THR A 188 3.751 -3.163 -2.045 1.00 0.00 H new ATOM 0 HB THR A 188 2.060 -0.915 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.611 -2.642 -3.157 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.674 -1.916 -5.360 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.135 -1.423 -4.471 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.665 -3.139 -4.529 1.00 0.00 H new ATOM 154 N VAL A 189 4.125 -0.230 -0.837 1.00 0.00 N ATOM 155 CA VAL A 189 5.104 0.796 -0.524 1.00 0.00 C ATOM 156 C VAL A 189 6.242 0.176 0.291 1.00 0.00 C ATOM 157 O VAL A 189 7.278 0.807 0.496 1.00 0.00 O ATOM 158 CB VAL A 189 4.426 1.967 0.189 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.462 2.886 0.840 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.527 2.747 -0.772 1.00 0.00 C ATOM 0 H VAL A 189 3.243 -0.147 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 189 5.540 1.200 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 189 3.796 1.559 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 189 4.954 3.710 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.042 2.321 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.129 3.282 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.057 3.574 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.126 3.138 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.756 2.085 -1.167 1.00 0.00 H new ATOM 170 N THR A 190 6.009 -1.050 0.735 1.00 0.00 N ATOM 171 CA THR A 190 7.001 -1.761 1.524 1.00 0.00 C ATOM 172 C THR A 190 8.201 -2.143 0.653 1.00 0.00 C ATOM 173 O THR A 190 9.316 -1.680 0.889 1.00 0.00 O ATOM 174 CB THR A 190 6.315 -2.963 2.175 1.00 0.00 C ATOM 175 OG1 THR A 190 5.499 -2.389 3.191 1.00 0.00 O ATOM 176 CG2 THR A 190 7.295 -3.852 2.942 1.00 0.00 C ATOM 0 H THR A 190 5.148 -1.569 0.564 1.00 0.00 H new ATOM 0 HA THR A 190 7.402 -1.130 2.317 1.00 0.00 H new ATOM 0 HB THR A 190 5.813 -3.553 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 190 5.016 -3.099 3.663 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.756 -4.690 3.384 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.055 -4.230 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.773 -3.271 3.731 1.00 0.00 H new ATOM 184 N THR A 191 7.930 -2.984 -0.334 1.00 0.00 N ATOM 185 CA THR A 191 8.973 -3.434 -1.240 1.00 0.00 C ATOM 186 C THR A 191 9.133 -2.448 -2.400 1.00 0.00 C ATOM 187 O THR A 191 9.202 -2.854 -3.559 1.00 0.00 O ATOM 188 CB THR A 191 8.626 -4.853 -1.692 1.00 0.00 C ATOM 189 OG1 THR A 191 9.618 -5.159 -2.669 1.00 0.00 O ATOM 190 CG2 THR A 191 7.309 -4.916 -2.469 1.00 0.00 C ATOM 0 H THR A 191 7.004 -3.365 -0.526 1.00 0.00 H new ATOM 0 HA THR A 191 9.943 -3.464 -0.744 1.00 0.00 H new ATOM 0 HB THR A 191 8.566 -5.505 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.489 -4.589 -3.456 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.111 -5.946 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.496 -4.558 -1.837 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.381 -4.289 -3.358 1.00 0.00 H new ATOM 198 N THR A 192 9.188 -1.173 -2.047 1.00 0.00 N ATOM 199 CA THR A 192 9.338 -0.126 -3.044 1.00 0.00 C ATOM 200 C THR A 192 9.623 1.216 -2.369 1.00 0.00 C ATOM 201 O THR A 192 10.438 2.000 -2.856 1.00 0.00 O ATOM 202 CB THR A 192 8.079 -0.115 -3.912 1.00 0.00 C ATOM 203 OG1 THR A 192 8.459 -0.828 -5.085 1.00 0.00 O ATOM 204 CG2 THR A 192 7.732 1.285 -4.422 1.00 0.00 C ATOM 0 H THR A 192 9.131 -0.840 -1.084 1.00 0.00 H new ATOM 0 HA THR A 192 10.194 -0.316 -3.691 1.00 0.00 H new ATOM 0 HB THR A 192 7.240 -0.511 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.797 -1.713 -4.835 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.830 1.237 -5.033 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.561 1.949 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.557 1.668 -5.023 1.00 0.00 H new ATOM 212 N THR A 193 8.937 1.441 -1.257 1.00 0.00 N ATOM 213 CA THR A 193 9.106 2.676 -0.510 1.00 0.00 C ATOM 214 C THR A 193 8.796 3.883 -1.398 1.00 0.00 C ATOM 215 O THR A 193 9.573 4.836 -1.452 1.00 0.00 O ATOM 216 CB THR A 193 10.526 2.692 0.062 1.00 0.00 C ATOM 217 OG1 THR A 193 11.313 3.261 -0.981 1.00 0.00 O ATOM 218 CG2 THR A 193 11.101 1.286 0.238 1.00 0.00 C ATOM 0 H THR A 193 8.263 0.789 -0.856 1.00 0.00 H new ATOM 0 HA THR A 193 8.404 2.734 0.322 1.00 0.00 H new ATOM 0 HB THR A 193 10.525 3.207 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.347 2.642 -1.740 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.109 1.354 0.646 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.470 0.718 0.922 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.134 0.783 -0.728 1.00 0.00 H new ATOM 226 N LYS A 194 7.658 3.804 -2.071 1.00 0.00 N ATOM 227 CA LYS A 194 7.234 4.878 -2.953 1.00 0.00 C ATOM 228 C LYS A 194 7.547 6.224 -2.298 1.00 0.00 C ATOM 229 O LYS A 194 7.456 6.361 -1.078 1.00 0.00 O ATOM 230 CB LYS A 194 5.763 4.708 -3.337 1.00 0.00 C ATOM 231 CG LYS A 194 4.856 5.517 -2.407 1.00 0.00 C ATOM 232 CD LYS A 194 3.395 5.428 -2.851 1.00 0.00 C ATOM 233 CE LYS A 194 2.466 6.047 -1.805 1.00 0.00 C ATOM 234 NZ LYS A 194 2.017 7.389 -2.240 1.00 0.00 N ATOM 0 H LYS A 194 7.016 3.013 -2.023 1.00 0.00 H new ATOM 0 HA LYS A 194 7.790 4.842 -3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 194 5.613 5.030 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.491 3.654 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 194 4.953 5.147 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 194 5.174 6.559 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 194 3.269 5.942 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 194 3.123 4.385 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 194 1.602 5.401 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 194 2.984 6.122 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 1.387 7.795 -1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 2.843 8.008 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 1.504 7.308 -3.141 1.00 0.00 H new ATOM 248 N GLY A 195 7.909 7.185 -3.134 1.00 0.00 N ATOM 249 CA GLY A 195 8.236 8.516 -2.652 1.00 0.00 C ATOM 250 C GLY A 195 8.413 9.494 -3.814 1.00 0.00 C ATOM 251 O GLY A 195 9.305 10.340 -3.789 1.00 0.00 O ATOM 0 H GLY A 195 7.983 7.068 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 195 7.445 8.871 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 195 9.152 8.478 -2.062 1.00 0.00 H new TER 255 GLY A 195