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= -3.47! C(o=-3.5!,f=-11!) 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 X(o=0,f=0) USER MOD Single : A 188 THR OG1 : rot 79:sc= 0.745 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 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 35:sc= -0.333! USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 180 -10.120 -1.753 -1.239 1.00 0.00 N ATOM 2 CA VAL A 180 -9.137 -2.822 -1.206 1.00 0.00 C ATOM 3 C VAL A 180 -7.990 -2.485 -2.161 1.00 0.00 C ATOM 4 O VAL A 180 -7.202 -3.358 -2.523 1.00 0.00 O ATOM 5 CB VAL A 180 -9.808 -4.161 -1.524 1.00 0.00 C ATOM 6 CG1 VAL A 180 -8.811 -5.316 -1.406 1.00 0.00 C ATOM 7 CG2 VAL A 180 -11.025 -4.391 -0.628 1.00 0.00 C ATOM 0 HA VAL A 180 -8.710 -2.917 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 180 -10.156 -4.125 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -9.313 -6.255 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -7.991 -5.161 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -8.418 -5.355 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -11.483 -5.349 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -10.712 -4.397 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -11.749 -3.592 -0.786 1.00 0.00 H new ATOM 17 N ASN A 181 -7.933 -1.218 -2.541 1.00 0.00 N ATOM 18 CA ASN A 181 -6.896 -0.755 -3.448 1.00 0.00 C ATOM 19 C ASN A 181 -6.042 0.301 -2.742 1.00 0.00 C ATOM 20 O ASN A 181 -5.043 0.763 -3.290 1.00 0.00 O ATOM 21 CB ASN A 181 -7.504 -0.113 -4.697 1.00 0.00 C ATOM 22 CG ASN A 181 -8.318 1.131 -4.335 1.00 0.00 C ATOM 23 OD1 ASN A 181 -8.979 1.194 -3.312 1.00 0.00 O ATOM 24 ND2 ASN A 181 -8.233 2.112 -5.229 1.00 0.00 N ATOM 0 H ASN A 181 -8.588 -0.497 -2.238 1.00 0.00 H new ATOM 0 HA ASN A 181 -6.294 -1.616 -3.741 1.00 0.00 H new ATOM 0 HB2 ASN A 181 -6.711 0.158 -5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 181 -8.143 -0.834 -5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -8.740 2.984 -5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -7.661 1.992 -6.065 1.00 0.00 H new ATOM 31 N ILE A 182 -6.468 0.651 -1.537 1.00 0.00 N ATOM 32 CA ILE A 182 -5.755 1.644 -0.751 1.00 0.00 C ATOM 33 C ILE A 182 -4.613 0.963 0.007 1.00 0.00 C ATOM 34 O ILE A 182 -3.471 1.416 -0.045 1.00 0.00 O ATOM 35 CB ILE A 182 -6.723 2.408 0.154 1.00 0.00 C ATOM 36 CG1 ILE A 182 -7.493 3.466 -0.638 1.00 0.00 C ATOM 37 CG2 ILE A 182 -5.993 3.010 1.355 1.00 0.00 C ATOM 38 CD1 ILE A 182 -8.880 2.954 -1.034 1.00 0.00 C ATOM 0 H ILE A 182 -7.297 0.265 -1.086 1.00 0.00 H new ATOM 0 HA ILE A 182 -5.305 2.394 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 182 -7.455 1.701 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.593 4.372 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -6.932 3.735 -1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.705 3.547 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.528 2.213 1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.225 3.699 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -9.406 3.726 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.776 2.062 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -9.447 2.709 -0.136 1.00 0.00 H new ATOM 50 N THR A 183 -4.961 -0.116 0.694 1.00 0.00 N ATOM 51 CA THR A 183 -3.979 -0.863 1.460 1.00 0.00 C ATOM 52 C THR A 183 -2.968 -1.530 0.526 1.00 0.00 C ATOM 53 O THR A 183 -1.821 -1.757 0.908 1.00 0.00 O ATOM 54 CB THR A 183 -4.732 -1.855 2.350 1.00 0.00 C ATOM 55 OG1 THR A 183 -4.868 -1.172 3.594 1.00 0.00 O ATOM 56 CG2 THR A 183 -3.891 -3.087 2.693 1.00 0.00 C ATOM 0 H THR A 183 -5.909 -0.490 0.736 1.00 0.00 H new ATOM 0 HA THR A 183 -3.394 -0.205 2.103 1.00 0.00 H new ATOM 0 HB THR A 183 -5.649 -2.167 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 183 -5.347 -1.743 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 183 -4.471 -3.759 3.326 1.00 0.00 H new ATOM 0 HG22 THR A 183 -3.612 -3.604 1.775 1.00 0.00 H new ATOM 0 HG23 THR A 183 -2.990 -2.777 3.223 1.00 0.00 H new ATOM 64 N ILE A 184 -3.430 -1.827 -0.679 1.00 0.00 N ATOM 65 CA ILE A 184 -2.580 -2.463 -1.671 1.00 0.00 C ATOM 66 C ILE A 184 -1.425 -1.523 -2.025 1.00 0.00 C ATOM 67 O ILE A 184 -0.263 -1.843 -1.782 1.00 0.00 O ATOM 68 CB ILE A 184 -3.407 -2.906 -2.880 1.00 0.00 C ATOM 69 CG1 ILE A 184 -4.562 -3.812 -2.453 1.00 0.00 C ATOM 70 CG2 ILE A 184 -2.520 -3.568 -3.937 1.00 0.00 C ATOM 71 CD1 ILE A 184 -4.041 -5.138 -1.894 1.00 0.00 C ATOM 0 H ILE A 184 -4.383 -1.639 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 184 -2.137 -3.373 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.846 -2.019 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -5.165 -3.307 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.213 -4.004 -3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -3.132 -3.874 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -1.763 -2.859 -4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -2.033 -4.443 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.883 -5.764 -1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.459 -5.652 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -3.410 -4.944 -1.027 1.00 0.00 H new ATOM 83 N LYS A 185 -1.786 -0.383 -2.595 1.00 0.00 N ATOM 84 CA LYS A 185 -0.796 0.605 -2.985 1.00 0.00 C ATOM 85 C LYS A 185 0.155 0.858 -1.814 1.00 0.00 C ATOM 86 O LYS A 185 1.323 1.190 -2.017 1.00 0.00 O ATOM 87 CB LYS A 185 -1.477 1.871 -3.510 1.00 0.00 C ATOM 88 CG LYS A 185 -0.769 2.399 -4.758 1.00 0.00 C ATOM 89 CD LYS A 185 -1.021 3.897 -4.939 1.00 0.00 C ATOM 90 CE LYS A 185 0.019 4.520 -5.871 1.00 0.00 C ATOM 91 NZ LYS A 185 -0.390 5.886 -6.265 1.00 0.00 N ATOM 0 H LYS A 185 -2.751 -0.122 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 185 -0.192 0.232 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -2.520 1.657 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -1.474 2.637 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.302 2.214 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.122 1.859 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -2.020 4.055 -5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.990 4.394 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 185 0.988 4.554 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 185 0.138 3.899 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 0.327 6.294 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -1.304 5.846 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -0.481 6.480 -5.416 1.00 0.00 H new ATOM 105 N GLN A 186 -0.380 0.693 -0.613 1.00 0.00 N ATOM 106 CA GLN A 186 0.405 0.900 0.591 1.00 0.00 C ATOM 107 C GLN A 186 1.368 -0.270 0.805 1.00 0.00 C ATOM 108 O GLN A 186 2.569 -0.068 0.974 1.00 0.00 O ATOM 109 CB GLN A 186 -0.499 1.095 1.810 1.00 0.00 C ATOM 110 CG GLN A 186 -0.408 2.530 2.336 1.00 0.00 C ATOM 111 CD GLN A 186 0.380 2.583 3.647 1.00 0.00 C ATOM 112 OE1 GLN A 186 -0.149 2.377 4.727 1.00 0.00 O ATOM 113 NE2 GLN A 186 1.669 2.871 3.492 1.00 0.00 N ATOM 0 H GLN A 186 -1.348 0.418 -0.449 1.00 0.00 H new ATOM 0 HA GLN A 186 0.991 1.810 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -1.531 0.867 1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.211 0.397 2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 186 0.074 3.164 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 186 -1.410 2.928 2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 186 2.047 3.032 2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.280 2.931 4.307 1.00 0.00 H new ATOM 122 N HIS A 187 0.803 -1.469 0.792 1.00 0.00 N ATOM 123 CA HIS A 187 1.595 -2.672 0.982 1.00 0.00 C ATOM 124 C HIS A 187 2.671 -2.754 -0.103 1.00 0.00 C ATOM 125 O HIS A 187 3.635 -3.507 0.030 1.00 0.00 O ATOM 126 CB HIS A 187 0.700 -3.911 1.025 1.00 0.00 C ATOM 127 CG HIS A 187 1.047 -4.882 2.128 1.00 0.00 C ATOM 128 ND1 HIS A 187 1.985 -5.887 1.974 1.00 0.00 N ATOM 129 CD2 HIS A 187 0.573 -4.990 3.403 1.00 0.00 C ATOM 130 CE1 HIS A 187 2.063 -6.564 3.111 1.00 0.00 C ATOM 131 NE2 HIS A 187 1.187 -6.006 3.994 1.00 0.00 N ATOM 0 H HIS A 187 -0.194 -1.633 0.653 1.00 0.00 H new ATOM 0 HA HIS A 187 2.102 -2.629 1.946 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -0.336 -3.594 1.147 1.00 0.00 H new ATOM 0 HB3 HIS A 187 0.765 -4.427 0.067 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -0.175 -4.356 3.854 1.00 0.00 H new ATOM 0 HE1 HIS A 187 2.707 -7.409 3.304 1.00 0.00 H new ATOM 0 HE2 HIS A 187 1.030 -6.319 4.952 1.00 0.00 H new ATOM 140 N THR A 188 2.469 -1.971 -1.152 1.00 0.00 N ATOM 141 CA THR A 188 3.410 -1.945 -2.259 1.00 0.00 C ATOM 142 C THR A 188 4.574 -1.002 -1.950 1.00 0.00 C ATOM 143 O THR A 188 5.642 -1.109 -2.551 1.00 0.00 O ATOM 144 CB THR A 188 2.640 -1.565 -3.526 1.00 0.00 C ATOM 145 OG1 THR A 188 1.719 -2.637 -3.707 1.00 0.00 O ATOM 146 CG2 THR A 188 3.516 -1.610 -4.779 1.00 0.00 C ATOM 0 H THR A 188 1.667 -1.350 -1.259 1.00 0.00 H new ATOM 0 HA THR A 188 3.861 -2.925 -2.416 1.00 0.00 H new ATOM 0 HB THR A 188 2.223 -0.565 -3.411 1.00 0.00 H new ATOM 0 HG1 THR A 188 0.956 -2.518 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 188 2.921 -1.332 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 188 4.345 -0.911 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.907 -2.619 -4.914 1.00 0.00 H new ATOM 154 N VAL A 189 4.328 -0.099 -1.011 1.00 0.00 N ATOM 155 CA VAL A 189 5.343 0.863 -0.614 1.00 0.00 C ATOM 156 C VAL A 189 6.394 0.162 0.250 1.00 0.00 C ATOM 157 O VAL A 189 7.547 0.587 0.297 1.00 0.00 O ATOM 158 CB VAL A 189 4.688 2.052 0.090 1.00 0.00 C ATOM 159 CG1 VAL A 189 5.700 2.801 0.959 1.00 0.00 C ATOM 160 CG2 VAL A 189 4.032 2.994 -0.923 1.00 0.00 C ATOM 0 H VAL A 189 3.441 -0.013 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 189 5.855 1.262 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 189 3.907 1.665 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 189 5.208 3.642 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 189 6.101 2.126 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 189 6.513 3.170 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 189 3.573 3.831 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 189 4.788 3.369 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 189 3.267 2.453 -1.481 1.00 0.00 H new ATOM 170 N THR A 190 5.957 -0.901 0.911 1.00 0.00 N ATOM 171 CA THR A 190 6.846 -1.664 1.770 1.00 0.00 C ATOM 172 C THR A 190 7.893 -2.401 0.933 1.00 0.00 C ATOM 173 O THR A 190 9.088 -2.324 1.218 1.00 0.00 O ATOM 174 CB THR A 190 5.988 -2.596 2.629 1.00 0.00 C ATOM 175 OG1 THR A 190 5.252 -1.713 3.470 1.00 0.00 O ATOM 176 CG2 THR A 190 6.824 -3.429 3.603 1.00 0.00 C ATOM 0 H THR A 190 5.000 -1.251 0.869 1.00 0.00 H new ATOM 0 HA THR A 190 7.410 -1.011 2.436 1.00 0.00 H new ATOM 0 HB THR A 190 5.415 -3.261 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 190 4.668 -2.234 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 190 6.167 -4.073 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 190 7.530 -4.043 3.044 1.00 0.00 H new ATOM 0 HG23 THR A 190 7.372 -2.765 4.272 1.00 0.00 H new ATOM 184 N THR A 191 7.408 -3.100 -0.082 1.00 0.00 N ATOM 185 CA THR A 191 8.287 -3.850 -0.963 1.00 0.00 C ATOM 186 C THR A 191 9.164 -2.899 -1.780 1.00 0.00 C ATOM 187 O THR A 191 10.380 -3.069 -1.843 1.00 0.00 O ATOM 188 CB THR A 191 7.421 -4.770 -1.825 1.00 0.00 C ATOM 189 OG1 THR A 191 6.862 -5.692 -0.895 1.00 0.00 O ATOM 190 CG2 THR A 191 8.252 -5.645 -2.765 1.00 0.00 C ATOM 0 H THR A 191 6.417 -3.163 -0.314 1.00 0.00 H new ATOM 0 HA THR A 191 8.979 -4.471 -0.394 1.00 0.00 H new ATOM 0 HB THR A 191 6.724 -4.169 -2.410 1.00 0.00 H new ATOM 0 HG1 THR A 191 6.284 -6.325 -1.370 1.00 0.00 H new ATOM 0 HG21 THR A 191 7.589 -6.279 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 191 8.835 -5.010 -3.433 1.00 0.00 H new ATOM 0 HG23 THR A 191 8.926 -6.270 -2.179 1.00 0.00 H new ATOM 198 N THR A 192 8.510 -1.917 -2.385 1.00 0.00 N ATOM 199 CA THR A 192 9.215 -0.938 -3.196 1.00 0.00 C ATOM 200 C THR A 192 9.908 0.094 -2.303 1.00 0.00 C ATOM 201 O THR A 192 10.582 0.994 -2.799 1.00 0.00 O ATOM 202 CB THR A 192 8.209 -0.320 -4.170 1.00 0.00 C ATOM 203 OG1 THR A 192 8.046 -1.315 -5.177 1.00 0.00 O ATOM 204 CG2 THR A 192 8.787 0.880 -4.923 1.00 0.00 C ATOM 0 H THR A 192 7.501 -1.779 -2.330 1.00 0.00 H new ATOM 0 HA THR A 192 10.010 -1.404 -3.778 1.00 0.00 H new ATOM 0 HB THR A 192 7.317 -0.012 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 192 7.408 -0.998 -5.850 1.00 0.00 H new ATOM 0 HG21 THR A 192 8.034 1.282 -5.601 1.00 0.00 H new ATOM 0 HG22 THR A 192 9.081 1.650 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 192 9.659 0.564 -5.496 1.00 0.00 H new ATOM 212 N THR A 193 9.718 -0.074 -1.003 1.00 0.00 N ATOM 213 CA THR A 193 10.317 0.831 -0.036 1.00 0.00 C ATOM 214 C THR A 193 10.146 2.283 -0.488 1.00 0.00 C ATOM 215 O THR A 193 11.109 3.048 -0.509 1.00 0.00 O ATOM 216 CB THR A 193 11.779 0.422 0.152 1.00 0.00 C ATOM 217 OG1 THR A 193 12.288 0.327 -1.175 1.00 0.00 O ATOM 218 CG2 THR A 193 11.922 -0.997 0.708 1.00 0.00 C ATOM 0 H THR A 193 9.158 -0.823 -0.596 1.00 0.00 H new ATOM 0 HA THR A 193 9.818 0.763 0.931 1.00 0.00 H new ATOM 0 HB THR A 193 12.269 1.127 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.872 1.015 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 193 12.979 -1.238 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 193 11.428 -1.059 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 193 11.461 -1.706 0.020 1.00 0.00 H new ATOM 226 N LYS A 194 8.914 2.619 -0.840 1.00 0.00 N ATOM 227 CA LYS A 194 8.605 3.965 -1.291 1.00 0.00 C ATOM 228 C LYS A 194 8.644 4.920 -0.096 1.00 0.00 C ATOM 229 O LYS A 194 7.881 4.759 0.857 1.00 0.00 O ATOM 230 CB LYS A 194 7.277 3.985 -2.050 1.00 0.00 C ATOM 231 CG LYS A 194 7.221 5.160 -3.028 1.00 0.00 C ATOM 232 CD LYS A 194 8.250 4.992 -4.148 1.00 0.00 C ATOM 233 CE LYS A 194 7.601 5.181 -5.520 1.00 0.00 C ATOM 234 NZ LYS A 194 8.370 4.462 -6.561 1.00 0.00 N ATOM 0 H LYS A 194 8.118 1.982 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 194 9.357 4.310 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 194 7.151 3.049 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 194 6.451 4.057 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 194 6.221 5.234 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 194 7.409 6.091 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 194 9.055 5.716 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 194 8.700 4.001 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 194 6.575 4.812 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 194 7.553 6.242 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 7.916 4.601 -7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 9.341 4.832 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 8.394 3.447 -6.336 1.00 0.00 H new ATOM 248 N GLY A 195 9.538 5.893 -0.185 1.00 0.00 N ATOM 249 CA GLY A 195 9.686 6.873 0.878 1.00 0.00 C ATOM 250 C GLY A 195 9.365 8.281 0.372 1.00 0.00 C ATOM 251 O GLY A 195 10.198 9.182 0.462 1.00 0.00 O ATOM 0 H GLY A 195 10.168 6.024 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 195 9.024 6.620 1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 195 10.705 6.845 1.265 1.00 0.00 H new TER 255 GLY A 195