USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 128 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 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl -168:sc= -0.0477 (180deg=-0.317) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 144 14.592 -2.049 7.248 1.00 0.00 N ATOM 25 CA ASP A 144 14.188 -1.493 5.970 1.00 0.00 C ATOM 26 C ASP A 144 12.915 -2.190 5.520 1.00 0.00 C ATOM 27 O ASP A 144 12.709 -3.369 5.815 1.00 0.00 O ATOM 28 CB ASP A 144 15.290 -1.654 4.913 1.00 0.00 C ATOM 29 CG ASP A 144 15.554 -3.100 4.537 1.00 0.00 C ATOM 30 OD1 ASP A 144 16.399 -3.751 5.195 1.00 0.00 O ATOM 31 OD2 ASP A 144 14.934 -3.594 3.571 1.00 0.00 O ATOM 0 HA ASP A 144 14.009 -0.424 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 144 15.009 -1.099 4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 144 16.212 -1.209 5.288 1.00 0.00 H new ATOM 36 N TYR A 145 12.049 -1.469 4.832 1.00 0.00 N ATOM 37 CA TYR A 145 10.781 -2.035 4.414 1.00 0.00 C ATOM 38 C TYR A 145 10.812 -2.332 2.927 1.00 0.00 C ATOM 39 O TYR A 145 11.060 -3.466 2.514 1.00 0.00 O ATOM 40 CB TYR A 145 9.630 -1.081 4.746 1.00 0.00 C ATOM 41 CG TYR A 145 9.707 -0.510 6.143 1.00 0.00 C ATOM 42 CD1 TYR A 145 9.458 -1.303 7.257 1.00 0.00 C ATOM 43 CD2 TYR A 145 10.035 0.824 6.349 1.00 0.00 C ATOM 44 CE1 TYR A 145 9.535 -0.779 8.535 1.00 0.00 C ATOM 45 CE2 TYR A 145 10.113 1.352 7.621 1.00 0.00 C ATOM 46 CZ TYR A 145 9.862 0.550 8.710 1.00 0.00 C ATOM 47 OH TYR A 145 9.941 1.080 9.980 1.00 0.00 O ATOM 0 H TYR A 145 12.199 -0.499 4.553 1.00 0.00 H new ATOM 0 HA TYR A 145 10.618 -2.967 4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 145 9.628 -0.262 4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 145 8.684 -1.610 4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 145 9.201 -2.343 7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 145 10.232 1.459 5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 145 9.340 -1.407 9.392 1.00 0.00 H new ATOM 0 HE2 TYR A 145 10.370 2.391 7.761 1.00 0.00 H new ATOM 0 HH TYR A 145 10.183 2.028 9.924 1.00 0.00 H new ATOM 57 N GLU A 146 10.599 -1.298 2.126 1.00 0.00 N ATOM 58 CA GLU A 146 10.584 -1.441 0.681 1.00 0.00 C ATOM 59 C GLU A 146 11.571 -0.466 0.058 1.00 0.00 C ATOM 60 O GLU A 146 12.773 -0.723 -0.004 1.00 0.00 O ATOM 61 CB GLU A 146 9.181 -1.171 0.113 1.00 0.00 C ATOM 62 CG GLU A 146 8.045 -1.808 0.904 1.00 0.00 C ATOM 63 CD GLU A 146 8.169 -3.314 1.005 1.00 0.00 C ATOM 64 OE1 GLU A 146 8.568 -3.950 0.009 1.00 0.00 O ATOM 65 OE2 GLU A 146 7.874 -3.864 2.083 1.00 0.00 O ATOM 0 H GLU A 146 10.434 -0.347 2.456 1.00 0.00 H new ATOM 0 HA GLU A 146 10.867 -2.465 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 146 9.020 -0.094 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 146 9.142 -1.537 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 146 8.024 -1.382 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 146 7.095 -1.558 0.432 1.00 0.00 H new ATOM 72 N ASP A 147 11.039 0.664 -0.377 1.00 0.00 N ATOM 73 CA ASP A 147 11.833 1.738 -0.962 1.00 0.00 C ATOM 74 C ASP A 147 10.961 2.974 -1.131 1.00 0.00 C ATOM 75 O ASP A 147 11.100 3.962 -0.414 1.00 0.00 O ATOM 76 CB ASP A 147 12.400 1.312 -2.319 1.00 0.00 C ATOM 77 CG ASP A 147 13.416 2.296 -2.860 1.00 0.00 C ATOM 78 OD1 ASP A 147 13.011 3.299 -3.474 1.00 0.00 O ATOM 79 OD2 ASP A 147 14.631 2.060 -2.674 1.00 0.00 O ATOM 0 H ASP A 147 10.040 0.866 -0.335 1.00 0.00 H new ATOM 0 HA ASP A 147 12.667 1.964 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 147 12.865 0.331 -2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 147 11.583 1.209 -3.034 1.00 0.00 H new ATOM 84 N ARG A 148 10.033 2.876 -2.076 1.00 0.00 N ATOM 85 CA ARG A 148 9.077 3.940 -2.360 1.00 0.00 C ATOM 86 C ARG A 148 8.042 3.374 -3.308 1.00 0.00 C ATOM 87 O ARG A 148 7.198 4.078 -3.852 1.00 0.00 O ATOM 88 CB ARG A 148 9.767 5.157 -2.998 1.00 0.00 C ATOM 89 CG ARG A 148 10.200 4.924 -4.437 1.00 0.00 C ATOM 90 CD ARG A 148 10.798 6.175 -5.060 1.00 0.00 C ATOM 91 NE ARG A 148 10.905 6.048 -6.514 1.00 0.00 N ATOM 92 CZ ARG A 148 11.800 6.684 -7.269 1.00 0.00 C ATOM 93 NH1 ARG A 148 12.718 7.469 -6.713 1.00 0.00 N ATOM 94 NH2 ARG A 148 11.784 6.515 -8.588 1.00 0.00 N ATOM 0 H ARG A 148 9.922 2.053 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 148 8.617 4.282 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 148 9.087 6.009 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 148 10.641 5.423 -2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 148 10.932 4.117 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 148 9.342 4.600 -5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 148 10.179 7.038 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 148 11.785 6.359 -4.636 1.00 0.00 H new ATOM 0 HE ARG A 148 10.246 5.427 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 148 12.741 7.588 -5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 148 13.399 7.952 -7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 148 11.090 5.902 -9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 148 12.466 6.999 -9.172 1.00 0.00 H new ATOM 108 N TYR A 149 8.095 2.064 -3.440 1.00 0.00 N ATOM 109 CA TYR A 149 7.372 1.366 -4.474 1.00 0.00 C ATOM 110 C TYR A 149 6.227 0.566 -3.881 1.00 0.00 C ATOM 111 O TYR A 149 5.063 0.856 -4.123 1.00 0.00 O ATOM 112 CB TYR A 149 8.343 0.435 -5.185 1.00 0.00 C ATOM 113 CG TYR A 149 7.775 -0.289 -6.387 1.00 0.00 C ATOM 114 CD1 TYR A 149 7.111 -1.505 -6.254 1.00 0.00 C ATOM 115 CD2 TYR A 149 7.908 0.246 -7.662 1.00 0.00 C ATOM 116 CE1 TYR A 149 6.599 -2.163 -7.355 1.00 0.00 C ATOM 117 CE2 TYR A 149 7.397 -0.408 -8.765 1.00 0.00 C ATOM 118 CZ TYR A 149 6.743 -1.609 -8.605 1.00 0.00 C ATOM 119 OH TYR A 149 6.230 -2.259 -9.705 1.00 0.00 O ATOM 0 H TYR A 149 8.642 1.456 -2.831 1.00 0.00 H new ATOM 0 HA TYR A 149 6.950 2.084 -5.177 1.00 0.00 H new ATOM 0 HB2 TYR A 149 9.209 1.014 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 149 8.701 -0.306 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 149 6.994 -1.941 -5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 149 8.419 1.188 -7.792 1.00 0.00 H new ATOM 0 HE1 TYR A 149 6.089 -3.107 -7.235 1.00 0.00 H new ATOM 0 HE2 TYR A 149 7.510 0.021 -9.750 1.00 0.00 H new ATOM 0 HH TYR A 149 6.416 -1.734 -10.511 1.00 0.00 H new ATOM 129 N TYR A 150 6.568 -0.431 -3.079 1.00 0.00 N ATOM 130 CA TYR A 150 5.571 -1.354 -2.568 1.00 0.00 C ATOM 131 C TYR A 150 4.700 -0.704 -1.501 1.00 0.00 C ATOM 132 O TYR A 150 3.513 -0.993 -1.386 1.00 0.00 O ATOM 133 CB TYR A 150 6.241 -2.595 -1.985 1.00 0.00 C ATOM 134 CG TYR A 150 7.208 -3.280 -2.923 1.00 0.00 C ATOM 135 CD1 TYR A 150 6.779 -4.278 -3.786 1.00 0.00 C ATOM 136 CD2 TYR A 150 8.555 -2.938 -2.931 1.00 0.00 C ATOM 137 CE1 TYR A 150 7.664 -4.916 -4.632 1.00 0.00 C ATOM 138 CE2 TYR A 150 9.444 -3.574 -3.771 1.00 0.00 C ATOM 139 CZ TYR A 150 8.994 -4.560 -4.619 1.00 0.00 C ATOM 140 OH TYR A 150 9.880 -5.201 -5.451 1.00 0.00 O ATOM 0 H TYR A 150 7.522 -0.620 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 150 4.935 -1.640 -3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 150 6.773 -2.313 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 150 5.469 -3.307 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 150 5.737 -4.560 -3.796 1.00 0.00 H new ATOM 0 HD2 TYR A 150 8.911 -2.162 -2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 150 7.315 -5.690 -5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 150 10.489 -3.300 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 150 10.778 -4.831 -5.320 1.00 0.00 H new ATOM 150 N ARG A 151 5.298 0.191 -0.739 1.00 0.00 N ATOM 151 CA ARG A 151 4.646 0.773 0.425 1.00 0.00 C ATOM 152 C ARG A 151 3.680 1.909 0.073 1.00 0.00 C ATOM 153 O ARG A 151 3.453 2.805 0.881 1.00 0.00 O ATOM 154 CB ARG A 151 5.709 1.243 1.425 1.00 0.00 C ATOM 155 CG ARG A 151 6.941 1.904 0.806 1.00 0.00 C ATOM 156 CD ARG A 151 6.730 3.383 0.519 1.00 0.00 C ATOM 157 NE ARG A 151 6.155 3.645 -0.802 1.00 0.00 N ATOM 158 CZ ARG A 151 5.391 4.711 -1.072 1.00 0.00 C ATOM 159 NH1 ARG A 151 5.034 5.545 -0.105 1.00 0.00 N ATOM 160 NH2 ARG A 151 4.982 4.938 -2.309 1.00 0.00 N ATOM 0 H ARG A 151 6.244 0.536 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 151 4.032 -0.006 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 151 5.247 1.948 2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 151 6.034 0.386 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 151 7.789 1.786 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 151 7.197 1.391 -0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 151 6.074 3.803 1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 151 7.686 3.901 0.600 1.00 0.00 H new ATOM 0 HE ARG A 151 6.346 2.983 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 151 5.342 5.377 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 151 4.452 6.355 -0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 151 5.248 4.300 -3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 151 4.400 5.751 -2.513 1.00 0.00 H new ATOM 174 N GLU A 152 3.100 1.857 -1.122 1.00 0.00 N ATOM 175 CA GLU A 152 2.096 2.838 -1.528 1.00 0.00 C ATOM 176 C GLU A 152 0.784 2.623 -0.773 1.00 0.00 C ATOM 177 O GLU A 152 0.567 3.188 0.298 1.00 0.00 O ATOM 178 CB GLU A 152 1.837 2.754 -3.030 1.00 0.00 C ATOM 179 CG GLU A 152 3.070 3.009 -3.878 1.00 0.00 C ATOM 180 CD GLU A 152 2.762 3.083 -5.356 1.00 0.00 C ATOM 181 OE1 GLU A 152 2.634 2.023 -6.003 1.00 0.00 O ATOM 182 OE2 GLU A 152 2.646 4.207 -5.884 1.00 0.00 O ATOM 0 H GLU A 152 3.306 1.148 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 152 2.485 3.827 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 152 1.442 1.766 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 152 1.067 3.477 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 152 3.536 3.942 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 152 3.796 2.215 -3.703 1.00 0.00 H new ATOM 189 N ASN A 153 -0.083 1.793 -1.336 1.00 0.00 N ATOM 190 CA ASN A 153 -1.377 1.505 -0.723 1.00 0.00 C ATOM 191 C ASN A 153 -1.408 0.095 -0.164 1.00 0.00 C ATOM 192 O ASN A 153 -2.247 -0.234 0.671 1.00 0.00 O ATOM 193 CB ASN A 153 -2.510 1.671 -1.739 1.00 0.00 C ATOM 194 CG ASN A 153 -2.753 3.119 -2.111 1.00 0.00 C ATOM 195 OD1 ASN A 153 -2.130 3.646 -3.032 1.00 0.00 O ATOM 196 ND2 ASN A 153 -3.672 3.761 -1.412 1.00 0.00 N ATOM 0 H ASN A 153 0.084 1.306 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 153 -1.520 2.215 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -2.272 1.104 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -3.426 1.247 -1.328 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -3.890 4.734 -1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -4.164 3.284 -0.657 1.00 0.00 H new ATOM 203 N MET A 154 -0.476 -0.728 -0.613 1.00 0.00 N ATOM 204 CA MET A 154 -0.459 -2.134 -0.231 1.00 0.00 C ATOM 205 C MET A 154 0.571 -2.384 0.864 1.00 0.00 C ATOM 206 O MET A 154 1.002 -3.515 1.088 1.00 0.00 O ATOM 207 CB MET A 154 -0.195 -3.018 -1.455 1.00 0.00 C ATOM 208 CG MET A 154 1.150 -2.789 -2.123 1.00 0.00 C ATOM 209 SD MET A 154 1.257 -3.569 -3.747 1.00 0.00 S ATOM 210 CE MET A 154 0.894 -5.278 -3.339 1.00 0.00 C ATOM 0 H MET A 154 0.278 -0.450 -1.241 1.00 0.00 H new ATOM 0 HA MET A 154 -1.438 -2.396 0.170 1.00 0.00 H new ATOM 0 HB2 MET A 154 -0.263 -4.063 -1.153 1.00 0.00 H new ATOM 0 HB3 MET A 154 -0.984 -2.846 -2.188 1.00 0.00 H new ATOM 0 HG2 MET A 154 1.323 -1.718 -2.226 1.00 0.00 H new ATOM 0 HG3 MET A 154 1.941 -3.180 -1.483 1.00 0.00 H new ATOM 0 HE1 MET A 154 1.130 -5.914 -4.192 1.00 0.00 H new ATOM 0 HE2 MET A 154 1.495 -5.583 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 154 -0.164 -5.377 -3.094 1.00 0.00 H new ATOM 220 N ALA A 155 0.943 -1.316 1.558 1.00 0.00 N ATOM 221 CA ALA A 155 1.862 -1.416 2.685 1.00 0.00 C ATOM 222 C ALA A 155 1.128 -1.896 3.929 1.00 0.00 C ATOM 223 O ALA A 155 1.722 -2.503 4.820 1.00 0.00 O ATOM 224 CB ALA A 155 2.530 -0.077 2.949 1.00 0.00 C ATOM 0 H ALA A 155 0.622 -0.368 1.360 1.00 0.00 H new ATOM 0 HA ALA A 155 2.634 -2.144 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 155 3.212 -0.171 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 155 3.087 0.232 2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 155 1.770 0.670 3.178 1.00 0.00 H new ATOM 230 N ARG A 156 -0.169 -1.623 3.974 1.00 0.00 N ATOM 231 CA ARG A 156 -1.000 -2.038 5.093 1.00 0.00 C ATOM 232 C ARG A 156 -2.139 -2.934 4.625 1.00 0.00 C ATOM 233 O ARG A 156 -3.253 -2.470 4.402 1.00 0.00 O ATOM 234 CB ARG A 156 -1.565 -0.836 5.877 1.00 0.00 C ATOM 235 CG ARG A 156 -1.605 0.498 5.129 1.00 0.00 C ATOM 236 CD ARG A 156 -2.402 0.431 3.831 1.00 0.00 C ATOM 237 NE ARG A 156 -2.565 1.740 3.177 1.00 0.00 N ATOM 238 CZ ARG A 156 -1.570 2.583 2.863 1.00 0.00 C ATOM 239 NH1 ARG A 156 -0.315 2.332 3.219 1.00 0.00 N ATOM 240 NH2 ARG A 156 -1.838 3.700 2.204 1.00 0.00 N ATOM 0 H ARG A 156 -0.669 -1.114 3.245 1.00 0.00 H new ATOM 0 HA ARG A 156 -0.356 -2.603 5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -2.578 -1.081 6.196 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -0.969 -0.705 6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.041 1.258 5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -0.586 0.814 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -1.904 -0.251 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -3.386 0.012 4.039 1.00 0.00 H new ATOM 0 HE ARG A 156 -3.514 2.030 2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -0.093 1.485 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 156 0.426 2.987 2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -2.798 3.917 1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -1.084 4.344 1.963 1.00 0.00 H new ATOM 254 N TYR A 157 -1.846 -4.212 4.450 1.00 0.00 N ATOM 255 CA TYR A 157 -2.866 -5.183 4.080 1.00 0.00 C ATOM 256 C TYR A 157 -3.867 -5.404 5.224 1.00 0.00 C ATOM 257 O TYR A 157 -5.072 -5.270 5.019 1.00 0.00 O ATOM 258 CB TYR A 157 -2.226 -6.509 3.651 1.00 0.00 C ATOM 259 CG TYR A 157 -3.230 -7.590 3.327 1.00 0.00 C ATOM 260 CD1 TYR A 157 -4.048 -7.492 2.209 1.00 0.00 C ATOM 261 CD2 TYR A 157 -3.364 -8.702 4.146 1.00 0.00 C ATOM 262 CE1 TYR A 157 -4.971 -8.473 1.917 1.00 0.00 C ATOM 263 CE2 TYR A 157 -4.286 -9.689 3.862 1.00 0.00 C ATOM 264 CZ TYR A 157 -5.086 -9.571 2.745 1.00 0.00 C ATOM 265 OH TYR A 157 -6.012 -10.550 2.461 1.00 0.00 O ATOM 0 H TYR A 157 -0.910 -4.603 4.558 1.00 0.00 H new ATOM 0 HA TYR A 157 -3.417 -4.779 3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -1.599 -6.334 2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -1.571 -6.861 4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -3.960 -6.634 1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -2.737 -8.797 5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -5.601 -8.383 1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -4.380 -10.548 4.510 1.00 0.00 H new ATOM 0 HH TYR A 157 -5.963 -11.254 3.141 1.00 0.00 H new ATOM 275 N PRO A 158 -3.403 -5.740 6.450 1.00 0.00 N ATOM 276 CA PRO A 158 -4.292 -5.941 7.595 1.00 0.00 C ATOM 277 C PRO A 158 -4.692 -4.621 8.254 1.00 0.00 C ATOM 278 O PRO A 158 -5.337 -4.603 9.304 1.00 0.00 O ATOM 279 CB PRO A 158 -3.457 -6.795 8.565 1.00 0.00 C ATOM 280 CG PRO A 158 -2.146 -7.045 7.883 1.00 0.00 C ATOM 281 CD PRO A 158 -2.007 -5.986 6.831 1.00 0.00 C ATOM 0 HA PRO A 158 -5.230 -6.412 7.300 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -3.310 -6.276 9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.963 -7.734 8.791 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.322 -6.995 8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.123 -8.040 7.438 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -1.527 -5.088 7.219 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -1.409 -6.328 5.986 1.00 0.00 H new ATOM 289 N ASN A 159 -4.302 -3.519 7.629 1.00 0.00 N ATOM 290 CA ASN A 159 -4.640 -2.193 8.129 1.00 0.00 C ATOM 291 C ASN A 159 -5.340 -1.396 7.037 1.00 0.00 C ATOM 292 O ASN A 159 -4.725 -0.587 6.344 1.00 0.00 O ATOM 293 CB ASN A 159 -3.394 -1.444 8.611 1.00 0.00 C ATOM 294 CG ASN A 159 -2.710 -2.111 9.789 1.00 0.00 C ATOM 295 OD1 ASN A 159 -3.352 -2.736 10.632 1.00 0.00 O ATOM 296 ND2 ASN A 159 -1.394 -1.987 9.850 1.00 0.00 N ATOM 0 H ASN A 159 -3.749 -3.517 6.772 1.00 0.00 H new ATOM 0 HA ASN A 159 -5.309 -2.310 8.981 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -2.686 -1.364 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -3.675 -0.428 8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -0.876 -2.418 10.616 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -0.898 -1.460 9.131 1.00 0.00 H new