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= -0.442 K(o=-0.44,f=-2.8!) 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 X(o=0,f=0) USER MOD Single : A 187 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.12) USER MOD Single : A 188 THR OG1 : rot 114:sc= 1 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot -66:sc= 0.649 USER MOD Single : A 192 THR OG1 : rot 58:sc= 1.27 USER MOD Single : A 193 THR OG1 : rot -62:sc= 0.989 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.709 -0.987 -3.631 1.00 0.00 N ATOM 2 CA VAL A 180 -10.029 -1.823 -4.605 1.00 0.00 C ATOM 3 C VAL A 180 -8.604 -1.303 -4.811 1.00 0.00 C ATOM 4 O VAL A 180 -7.867 -1.820 -5.649 1.00 0.00 O ATOM 5 CB VAL A 180 -10.838 -1.879 -5.902 1.00 0.00 C ATOM 6 CG1 VAL A 180 -10.442 -0.742 -6.846 1.00 0.00 C ATOM 7 CG2 VAL A 180 -10.683 -3.238 -6.586 1.00 0.00 C ATOM 0 HA VAL A 180 -9.952 -2.848 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 180 -11.890 -1.750 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -11.032 -0.806 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -10.628 0.216 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -9.383 -0.825 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.268 -3.251 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -9.633 -3.409 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -11.038 -4.024 -5.919 1.00 0.00 H new ATOM 17 N ASN A 181 -8.262 -0.287 -4.033 1.00 0.00 N ATOM 18 CA ASN A 181 -6.939 0.308 -4.120 1.00 0.00 C ATOM 19 C ASN A 181 -6.789 1.370 -3.028 1.00 0.00 C ATOM 20 O ASN A 181 -7.117 2.535 -3.241 1.00 0.00 O ATOM 21 CB ASN A 181 -6.729 0.991 -5.474 1.00 0.00 C ATOM 22 CG ASN A 181 -5.270 1.408 -5.659 1.00 0.00 C ATOM 23 OD1 ASN A 181 -4.678 2.077 -4.827 1.00 0.00 O ATOM 24 ND2 ASN A 181 -4.722 0.974 -6.790 1.00 0.00 N ATOM 0 H ASN A 181 -8.877 0.139 -3.340 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.204 -0.488 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -7.021 0.313 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -7.373 1.867 -5.547 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -3.750 1.197 -7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -5.274 0.418 -7.443 1.00 0.00 H new ATOM 31 N ILE A 182 -6.294 0.926 -1.882 1.00 0.00 N ATOM 32 CA ILE A 182 -6.096 1.823 -0.756 1.00 0.00 C ATOM 33 C ILE A 182 -4.995 1.265 0.148 1.00 0.00 C ATOM 34 O ILE A 182 -4.107 2.001 0.577 1.00 0.00 O ATOM 35 CB ILE A 182 -7.420 2.072 -0.031 1.00 0.00 C ATOM 36 CG1 ILE A 182 -8.299 3.050 -0.812 1.00 0.00 C ATOM 37 CG2 ILE A 182 -7.179 2.540 1.406 1.00 0.00 C ATOM 38 CD1 ILE A 182 -9.318 2.303 -1.674 1.00 0.00 C ATOM 0 H ILE A 182 -6.024 -0.042 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 182 -5.760 2.800 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.961 1.127 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -8.819 3.711 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -7.674 3.680 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -8.136 2.710 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -6.622 1.776 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -6.607 3.468 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.930 3.022 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.794 1.662 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.957 1.693 -1.036 1.00 0.00 H new ATOM 50 N THR A 183 -5.088 -0.029 0.411 1.00 0.00 N ATOM 51 CA THR A 183 -4.111 -0.694 1.255 1.00 0.00 C ATOM 52 C THR A 183 -3.145 -1.521 0.404 1.00 0.00 C ATOM 53 O THR A 183 -2.101 -1.955 0.888 1.00 0.00 O ATOM 54 CB THR A 183 -4.869 -1.524 2.293 1.00 0.00 C ATOM 55 OG1 THR A 183 -4.683 -0.809 3.511 1.00 0.00 O ATOM 56 CG2 THR A 183 -4.211 -2.880 2.552 1.00 0.00 C ATOM 0 H THR A 183 -5.826 -0.636 0.054 1.00 0.00 H new ATOM 0 HA THR A 183 -3.491 0.028 1.785 1.00 0.00 H new ATOM 0 HB THR A 183 -5.895 -1.677 1.957 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.144 -1.277 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.789 -3.428 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 183 -4.178 -3.452 1.624 1.00 0.00 H new ATOM 0 HG23 THR A 183 -3.196 -2.728 2.920 1.00 0.00 H new ATOM 64 N ILE A 184 -3.529 -1.715 -0.849 1.00 0.00 N ATOM 65 CA ILE A 184 -2.709 -2.483 -1.772 1.00 0.00 C ATOM 66 C ILE A 184 -1.476 -1.662 -2.156 1.00 0.00 C ATOM 67 O ILE A 184 -0.353 -2.162 -2.105 1.00 0.00 O ATOM 68 CB ILE A 184 -3.541 -2.941 -2.971 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.592 -3.971 -2.548 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.641 -3.469 -4.092 1.00 0.00 C ATOM 71 CD1 ILE A 184 -5.918 -3.290 -2.207 1.00 0.00 C ATOM 0 H ILE A 184 -4.396 -1.354 -1.247 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.349 -3.395 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 184 -4.076 -2.077 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.745 -4.691 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -4.233 -4.529 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.257 -3.788 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.964 -2.679 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.061 -4.316 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.648 -4.043 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.766 -2.588 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.286 -2.753 -3.081 1.00 0.00 H new ATOM 83 N LYS A 185 -1.728 -0.417 -2.532 1.00 0.00 N ATOM 84 CA LYS A 185 -0.652 0.478 -2.925 1.00 0.00 C ATOM 85 C LYS A 185 0.236 0.765 -1.712 1.00 0.00 C ATOM 86 O LYS A 185 1.410 1.095 -1.863 1.00 0.00 O ATOM 87 CB LYS A 185 -1.217 1.737 -3.585 1.00 0.00 C ATOM 88 CG LYS A 185 -0.207 2.344 -4.561 1.00 0.00 C ATOM 89 CD LYS A 185 0.256 3.723 -4.085 1.00 0.00 C ATOM 90 CE LYS A 185 1.532 4.153 -4.812 1.00 0.00 C ATOM 91 NZ LYS A 185 1.202 4.783 -6.109 1.00 0.00 N ATOM 0 H LYS A 185 -2.661 -0.007 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.021 0.007 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.138 1.493 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.474 2.469 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.653 1.681 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.658 2.429 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.532 4.456 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.436 3.699 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 185 2.092 4.854 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 185 2.174 3.287 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 2.079 5.069 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.687 4.103 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 0.607 5.621 -5.947 1.00 0.00 H new ATOM 105 N GLN A 186 -0.361 0.628 -0.537 1.00 0.00 N ATOM 106 CA GLN A 186 0.361 0.868 0.701 1.00 0.00 C ATOM 107 C GLN A 186 1.309 -0.296 0.998 1.00 0.00 C ATOM 108 O GLN A 186 2.513 -0.098 1.146 1.00 0.00 O ATOM 109 CB GLN A 186 -0.606 1.097 1.864 1.00 0.00 C ATOM 110 CG GLN A 186 -0.538 2.545 2.356 1.00 0.00 C ATOM 111 CD GLN A 186 0.171 2.632 3.708 1.00 0.00 C ATOM 112 OE1 GLN A 186 1.316 3.040 3.813 1.00 0.00 O ATOM 113 NE2 GLN A 186 -0.571 2.226 4.735 1.00 0.00 N ATOM 0 H GLN A 186 -1.336 0.354 -0.416 1.00 0.00 H new ATOM 0 HA GLN A 186 0.956 1.774 0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.623 0.864 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.363 0.419 2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 186 -0.010 3.157 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.546 2.951 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 186 -1.523 1.896 4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 186 -0.188 2.245 5.680 1.00 0.00 H new ATOM 122 N HIS A 187 0.728 -1.485 1.076 1.00 0.00 N ATOM 123 CA HIS A 187 1.505 -2.681 1.352 1.00 0.00 C ATOM 124 C HIS A 187 2.577 -2.856 0.275 1.00 0.00 C ATOM 125 O HIS A 187 3.537 -3.602 0.465 1.00 0.00 O ATOM 126 CB HIS A 187 0.594 -3.902 1.486 1.00 0.00 C ATOM 127 CG HIS A 187 1.298 -5.220 1.265 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.014 -6.051 0.195 1.00 0.00 N ATOM 129 CD2 HIS A 187 2.274 -5.841 1.987 1.00 0.00 C ATOM 130 CE1 HIS A 187 1.791 -7.121 0.279 1.00 0.00 C ATOM 131 NE2 HIS A 187 2.570 -6.990 1.391 1.00 0.00 N ATOM 0 H HIS A 187 -0.272 -1.645 0.953 1.00 0.00 H new ATOM 0 HA HIS A 187 2.015 -2.575 2.309 1.00 0.00 H new ATOM 0 HB2 HIS A 187 0.148 -3.902 2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -0.223 -3.813 0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.729 -5.462 2.890 1.00 0.00 H new ATOM 0 HE1 HIS A 187 1.805 -7.951 -0.412 1.00 0.00 H new ATOM 0 HE2 HIS A 187 3.265 -7.664 1.712 1.00 0.00 H new ATOM 140 N THR A 188 2.378 -2.157 -0.832 1.00 0.00 N ATOM 141 CA THR A 188 3.316 -2.225 -1.941 1.00 0.00 C ATOM 142 C THR A 188 4.467 -1.239 -1.728 1.00 0.00 C ATOM 143 O THR A 188 5.536 -1.391 -2.316 1.00 0.00 O ATOM 144 CB THR A 188 2.538 -1.980 -3.234 1.00 0.00 C ATOM 145 OG1 THR A 188 1.567 -3.024 -3.257 1.00 0.00 O ATOM 146 CG2 THR A 188 3.385 -2.232 -4.483 1.00 0.00 C ATOM 0 H THR A 188 1.581 -1.540 -0.986 1.00 0.00 H new ATOM 0 HA THR A 188 3.781 -3.209 -2.006 1.00 0.00 H new ATOM 0 HB THR A 188 2.168 -0.955 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.671 -2.639 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.785 -2.044 -5.373 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.247 -1.565 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.727 -3.267 -4.488 1.00 0.00 H new ATOM 154 N VAL A 189 4.207 -0.250 -0.884 1.00 0.00 N ATOM 155 CA VAL A 189 5.207 0.761 -0.587 1.00 0.00 C ATOM 156 C VAL A 189 6.318 0.139 0.262 1.00 0.00 C ATOM 157 O VAL A 189 7.365 0.751 0.465 1.00 0.00 O ATOM 158 CB VAL A 189 4.548 1.968 0.083 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.594 2.862 0.753 1.00 0.00 C ATOM 160 CG2 VAL A 189 3.709 2.762 -0.920 1.00 0.00 C ATOM 0 H VAL A 189 3.319 -0.128 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 189 5.665 1.126 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 189 3.879 1.596 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.099 3.713 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.129 2.290 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.300 3.221 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.252 3.614 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.348 3.117 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 189 2.928 2.121 -1.330 1.00 0.00 H new ATOM 170 N THR A 190 6.052 -1.070 0.734 1.00 0.00 N ATOM 171 CA THR A 190 7.016 -1.782 1.556 1.00 0.00 C ATOM 172 C THR A 190 8.229 -2.193 0.720 1.00 0.00 C ATOM 173 O THR A 190 9.339 -1.717 0.953 1.00 0.00 O ATOM 174 CB THR A 190 6.298 -2.965 2.209 1.00 0.00 C ATOM 175 OG1 THR A 190 5.345 -2.357 3.077 1.00 0.00 O ATOM 176 CG2 THR A 190 7.209 -3.755 3.151 1.00 0.00 C ATOM 0 H THR A 190 5.182 -1.575 0.563 1.00 0.00 H new ATOM 0 HA THR A 190 7.408 -1.144 2.348 1.00 0.00 H new ATOM 0 HB THR A 190 5.914 -3.629 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.833 -3.053 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.651 -4.583 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 190 8.059 -4.146 2.592 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.567 -3.100 3.945 1.00 0.00 H new ATOM 184 N THR A 191 7.976 -3.075 -0.237 1.00 0.00 N ATOM 185 CA THR A 191 9.034 -3.556 -1.109 1.00 0.00 C ATOM 186 C THR A 191 9.194 -2.628 -2.316 1.00 0.00 C ATOM 187 O THR A 191 9.245 -3.089 -3.455 1.00 0.00 O ATOM 188 CB THR A 191 8.709 -5.002 -1.493 1.00 0.00 C ATOM 189 OG1 THR A 191 9.837 -5.419 -2.258 1.00 0.00 O ATOM 190 CG2 THR A 191 7.538 -5.099 -2.471 1.00 0.00 C ATOM 0 H THR A 191 7.054 -3.468 -0.427 1.00 0.00 H new ATOM 0 HA THR A 191 9.999 -3.548 -0.602 1.00 0.00 H new ATOM 0 HB THR A 191 8.478 -5.574 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 191 9.877 -4.903 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.350 -6.146 -2.710 1.00 0.00 H new ATOM 0 HG22 THR A 191 6.648 -4.665 -2.017 1.00 0.00 H new ATOM 0 HG23 THR A 191 7.781 -4.556 -3.384 1.00 0.00 H new ATOM 198 N THR A 192 9.268 -1.339 -2.024 1.00 0.00 N ATOM 199 CA THR A 192 9.421 -0.342 -3.070 1.00 0.00 C ATOM 200 C THR A 192 9.667 1.040 -2.460 1.00 0.00 C ATOM 201 O THR A 192 10.457 1.822 -2.985 1.00 0.00 O ATOM 202 CB THR A 192 8.179 -0.399 -3.963 1.00 0.00 C ATOM 203 OG1 THR A 192 8.608 -1.134 -5.106 1.00 0.00 O ATOM 204 CG2 THR A 192 7.797 0.973 -4.523 1.00 0.00 C ATOM 0 H THR A 192 9.225 -0.961 -1.078 1.00 0.00 H new ATOM 0 HA THR A 192 10.294 -0.550 -3.688 1.00 0.00 H new ATOM 0 HB THR A 192 7.342 -0.805 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 192 8.930 -2.016 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 192 6.910 0.876 -5.149 1.00 0.00 H new ATOM 0 HG22 THR A 192 7.587 1.656 -3.700 1.00 0.00 H new ATOM 0 HG23 THR A 192 8.621 1.365 -5.119 1.00 0.00 H new ATOM 212 N THR A 193 8.976 1.296 -1.359 1.00 0.00 N ATOM 213 CA THR A 193 9.110 2.569 -0.672 1.00 0.00 C ATOM 214 C THR A 193 9.019 3.726 -1.669 1.00 0.00 C ATOM 215 O THR A 193 9.854 4.629 -1.655 1.00 0.00 O ATOM 216 CB THR A 193 10.421 2.546 0.115 1.00 0.00 C ATOM 217 OG1 THR A 193 10.487 3.835 0.719 1.00 0.00 O ATOM 218 CG2 THR A 193 11.650 2.499 -0.797 1.00 0.00 C ATOM 0 H THR A 193 8.322 0.644 -0.926 1.00 0.00 H new ATOM 0 HA THR A 193 8.294 2.725 0.033 1.00 0.00 H new ATOM 0 HB THR A 193 10.429 1.683 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 193 10.520 4.522 0.021 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.554 2.484 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.612 1.600 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.660 3.379 -1.440 1.00 0.00 H new ATOM 226 N LYS A 194 7.998 3.661 -2.511 1.00 0.00 N ATOM 227 CA LYS A 194 7.788 4.691 -3.513 1.00 0.00 C ATOM 228 C LYS A 194 7.723 6.057 -2.828 1.00 0.00 C ATOM 229 O LYS A 194 6.653 6.495 -2.408 1.00 0.00 O ATOM 230 CB LYS A 194 6.556 4.370 -4.362 1.00 0.00 C ATOM 231 CG LYS A 194 6.528 5.221 -5.634 1.00 0.00 C ATOM 232 CD LYS A 194 5.371 6.221 -5.599 1.00 0.00 C ATOM 233 CE LYS A 194 5.629 7.391 -6.550 1.00 0.00 C ATOM 234 NZ LYS A 194 6.073 8.584 -5.796 1.00 0.00 N ATOM 0 H LYS A 194 7.307 2.911 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 194 8.627 4.722 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 194 6.559 3.313 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 194 5.652 4.550 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 194 7.472 5.755 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 194 6.429 4.575 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 194 4.444 5.720 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 194 5.239 6.595 -4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 194 6.388 7.112 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 194 4.721 7.622 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 6.244 9.369 -6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 5.336 8.859 -5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 6.952 8.364 -5.285 1.00 0.00 H new ATOM 248 N GLY A 195 8.882 6.693 -2.736 1.00 0.00 N ATOM 249 CA GLY A 195 8.969 8.001 -2.109 1.00 0.00 C ATOM 250 C GLY A 195 10.405 8.530 -2.143 1.00 0.00 C ATOM 251 O GLY A 195 10.642 9.710 -1.888 1.00 0.00 O ATOM 0 H GLY A 195 9.768 6.327 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 195 8.308 8.699 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 195 8.625 7.937 -1.077 1.00 0.00 H new TER 255 GLY A 195