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= -1.13 X(o=-1.1,f=-1.4) USER MOD Single : A 154 MET CE :methyl 133:sc= -0.0705 (180deg=-0.609) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= -1.05! C(o=-1!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 144 15.137 -2.718 1.206 1.00 0.00 N ATOM 25 CA ASP A 144 15.710 -3.288 -0.005 1.00 0.00 C ATOM 26 C ASP A 144 14.606 -3.760 -0.940 1.00 0.00 C ATOM 27 O ASP A 144 14.748 -3.713 -2.158 1.00 0.00 O ATOM 28 CB ASP A 144 16.638 -4.456 0.339 1.00 0.00 C ATOM 29 CG ASP A 144 15.914 -5.568 1.070 1.00 0.00 C ATOM 30 OD1 ASP A 144 15.505 -5.350 2.230 1.00 0.00 O ATOM 31 OD2 ASP A 144 15.742 -6.654 0.486 1.00 0.00 O ATOM 0 HA ASP A 144 16.292 -2.515 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 144 17.076 -4.851 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.461 -4.094 0.955 1.00 0.00 H new ATOM 36 N TYR A 145 13.499 -4.204 -0.360 1.00 0.00 N ATOM 37 CA TYR A 145 12.354 -4.648 -1.136 1.00 0.00 C ATOM 38 C TYR A 145 11.638 -3.466 -1.748 1.00 0.00 C ATOM 39 O TYR A 145 11.609 -3.296 -2.971 1.00 0.00 O ATOM 40 CB TYR A 145 11.370 -5.422 -0.259 1.00 0.00 C ATOM 41 CG TYR A 145 11.931 -6.671 0.373 1.00 0.00 C ATOM 42 CD1 TYR A 145 12.145 -7.817 -0.379 1.00 0.00 C ATOM 43 CD2 TYR A 145 12.222 -6.713 1.731 1.00 0.00 C ATOM 44 CE1 TYR A 145 12.635 -8.968 0.203 1.00 0.00 C ATOM 45 CE2 TYR A 145 12.716 -7.860 2.319 1.00 0.00 C ATOM 46 CZ TYR A 145 12.919 -8.984 1.551 1.00 0.00 C ATOM 47 OH TYR A 145 13.398 -10.136 2.134 1.00 0.00 O ATOM 0 H TYR A 145 13.372 -4.266 0.650 1.00 0.00 H new ATOM 0 HA TYR A 145 12.724 -5.301 -1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 145 11.012 -4.762 0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 145 10.504 -5.695 -0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 145 11.925 -7.808 -1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 145 12.059 -5.834 2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 145 12.795 -9.853 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 145 12.942 -7.875 3.375 1.00 0.00 H new ATOM 0 HH TYR A 145 13.549 -9.981 3.090 1.00 0.00 H new ATOM 57 N GLU A 146 11.066 -2.646 -0.887 1.00 0.00 N ATOM 58 CA GLU A 146 10.239 -1.547 -1.328 1.00 0.00 C ATOM 59 C GLU A 146 10.343 -0.368 -0.375 1.00 0.00 C ATOM 60 O GLU A 146 10.468 -0.541 0.836 1.00 0.00 O ATOM 61 CB GLU A 146 8.782 -1.996 -1.425 1.00 0.00 C ATOM 62 CG GLU A 146 8.515 -3.025 -2.504 1.00 0.00 C ATOM 63 CD GLU A 146 7.156 -3.669 -2.368 1.00 0.00 C ATOM 64 OE1 GLU A 146 7.020 -4.610 -1.558 1.00 0.00 O ATOM 65 OE2 GLU A 146 6.224 -3.256 -3.089 1.00 0.00 O ATOM 0 H GLU A 146 11.162 -2.724 0.126 1.00 0.00 H new ATOM 0 HA GLU A 146 10.592 -1.232 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 146 8.477 -2.408 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 146 8.157 -1.123 -1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 146 8.591 -2.549 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 146 9.284 -3.796 -2.464 1.00 0.00 H new ATOM 72 N ASP A 147 10.296 0.824 -0.939 1.00 0.00 N ATOM 73 CA ASP A 147 10.231 2.052 -0.169 1.00 0.00 C ATOM 74 C ASP A 147 9.399 3.043 -0.942 1.00 0.00 C ATOM 75 O ASP A 147 8.551 3.741 -0.391 1.00 0.00 O ATOM 76 CB ASP A 147 11.631 2.620 0.085 1.00 0.00 C ATOM 77 CG ASP A 147 11.587 4.039 0.619 1.00 0.00 C ATOM 78 OD1 ASP A 147 11.348 4.226 1.832 1.00 0.00 O ATOM 79 OD2 ASP A 147 11.781 4.981 -0.176 1.00 0.00 O ATOM 0 H ASP A 147 10.302 0.969 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 147 9.781 1.851 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 147 12.156 1.982 0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.203 2.601 -0.843 1.00 0.00 H new ATOM 84 N ARG A 148 9.604 3.042 -2.250 1.00 0.00 N ATOM 85 CA ARG A 148 8.887 3.940 -3.132 1.00 0.00 C ATOM 86 C ARG A 148 7.556 3.328 -3.533 1.00 0.00 C ATOM 87 O ARG A 148 6.701 3.979 -4.122 1.00 0.00 O ATOM 88 CB ARG A 148 9.716 4.268 -4.377 1.00 0.00 C ATOM 89 CG ARG A 148 10.976 5.082 -4.100 1.00 0.00 C ATOM 90 CD ARG A 148 10.656 6.428 -3.461 1.00 0.00 C ATOM 91 NE ARG A 148 10.444 6.329 -2.017 1.00 0.00 N ATOM 92 CZ ARG A 148 9.491 6.978 -1.352 1.00 0.00 C ATOM 93 NH1 ARG A 148 8.573 7.672 -2.011 1.00 0.00 N ATOM 94 NH2 ARG A 148 9.442 6.886 -0.029 1.00 0.00 N ATOM 0 H ARG A 148 10.265 2.425 -2.723 1.00 0.00 H new ATOM 0 HA ARG A 148 8.703 4.870 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 148 10.001 3.336 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 148 9.091 4.818 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 148 11.636 4.516 -3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 148 11.516 5.243 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 148 11.473 7.123 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 148 9.763 6.845 -3.928 1.00 0.00 H new ATOM 0 HE ARG A 148 11.068 5.723 -1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 148 8.596 7.709 -3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 148 7.844 8.168 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 148 10.131 6.322 0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 148 8.716 7.379 0.490 1.00 0.00 H new ATOM 108 N TYR A 149 7.383 2.069 -3.196 1.00 0.00 N ATOM 109 CA TYR A 149 6.143 1.369 -3.478 1.00 0.00 C ATOM 110 C TYR A 149 5.566 0.794 -2.198 1.00 0.00 C ATOM 111 O TYR A 149 4.387 0.460 -2.136 1.00 0.00 O ATOM 112 CB TYR A 149 6.394 0.228 -4.443 1.00 0.00 C ATOM 113 CG TYR A 149 7.080 0.623 -5.731 1.00 0.00 C ATOM 114 CD1 TYR A 149 6.391 1.281 -6.741 1.00 0.00 C ATOM 115 CD2 TYR A 149 8.423 0.331 -5.935 1.00 0.00 C ATOM 116 CE1 TYR A 149 7.022 1.634 -7.919 1.00 0.00 C ATOM 117 CE2 TYR A 149 9.059 0.680 -7.108 1.00 0.00 C ATOM 118 CZ TYR A 149 8.356 1.330 -8.097 1.00 0.00 C ATOM 119 OH TYR A 149 8.986 1.671 -9.269 1.00 0.00 O ATOM 0 H TYR A 149 8.088 1.504 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 149 5.443 2.080 -3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 149 7.001 -0.526 -3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 149 5.440 -0.240 -4.685 1.00 0.00 H new ATOM 0 HD1 TYR A 149 5.347 1.520 -6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 149 8.979 -0.178 -5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 149 6.474 2.145 -8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 149 10.103 0.444 -7.250 1.00 0.00 H new ATOM 0 HH TYR A 149 9.923 1.386 -9.232 1.00 0.00 H new ATOM 129 N TYR A 150 6.412 0.693 -1.179 1.00 0.00 N ATOM 130 CA TYR A 150 6.051 0.027 0.069 1.00 0.00 C ATOM 131 C TYR A 150 4.852 0.711 0.710 1.00 0.00 C ATOM 132 O TYR A 150 4.038 0.083 1.384 1.00 0.00 O ATOM 133 CB TYR A 150 7.237 0.051 1.034 1.00 0.00 C ATOM 134 CG TYR A 150 7.207 -1.052 2.067 1.00 0.00 C ATOM 135 CD1 TYR A 150 7.305 -2.380 1.682 1.00 0.00 C ATOM 136 CD2 TYR A 150 7.099 -0.767 3.423 1.00 0.00 C ATOM 137 CE1 TYR A 150 7.294 -3.397 2.612 1.00 0.00 C ATOM 138 CE2 TYR A 150 7.085 -1.781 4.363 1.00 0.00 C ATOM 139 CZ TYR A 150 7.185 -3.095 3.951 1.00 0.00 C ATOM 140 OH TYR A 150 7.181 -4.115 4.880 1.00 0.00 O ATOM 0 H TYR A 150 7.361 1.067 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 150 5.787 -1.007 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 150 8.161 -0.026 0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 150 7.258 1.014 1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 150 7.392 -2.622 0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 150 7.025 0.261 3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 150 7.370 -4.426 2.292 1.00 0.00 H new ATOM 0 HE2 TYR A 150 6.996 -1.546 5.413 1.00 0.00 H new ATOM 0 HH TYR A 150 7.099 -3.737 5.780 1.00 0.00 H new ATOM 150 N ARG A 151 4.764 2.010 0.472 1.00 0.00 N ATOM 151 CA ARG A 151 3.691 2.838 0.995 1.00 0.00 C ATOM 152 C ARG A 151 2.378 2.519 0.283 1.00 0.00 C ATOM 153 O ARG A 151 1.470 1.915 0.853 1.00 0.00 O ATOM 154 CB ARG A 151 4.038 4.306 0.767 1.00 0.00 C ATOM 155 CG ARG A 151 5.534 4.570 0.712 1.00 0.00 C ATOM 156 CD ARG A 151 5.891 5.486 -0.450 1.00 0.00 C ATOM 157 NE ARG A 151 5.430 4.962 -1.747 1.00 0.00 N ATOM 158 CZ ARG A 151 4.459 5.537 -2.465 1.00 0.00 C ATOM 159 NH1 ARG A 151 3.800 6.581 -1.978 1.00 0.00 N ATOM 160 NH2 ARG A 151 4.152 5.072 -3.670 1.00 0.00 N ATOM 0 H ARG A 151 5.441 2.522 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 151 3.575 2.638 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 151 3.583 4.639 -0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 151 3.600 4.904 1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 151 5.860 5.023 1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 151 6.069 3.626 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 151 5.450 6.469 -0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 151 6.972 5.623 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 151 5.873 4.120 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 151 4.034 6.946 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 151 3.060 7.018 -2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 151 4.657 4.273 -4.052 1.00 0.00 H new ATOM 0 HH22 ARG A 151 3.411 5.514 -4.214 1.00 0.00 H new ATOM 174 N GLU A 152 2.311 2.908 -0.984 1.00 0.00 N ATOM 175 CA GLU A 152 1.123 2.734 -1.798 1.00 0.00 C ATOM 176 C GLU A 152 1.543 2.259 -3.177 1.00 0.00 C ATOM 177 O GLU A 152 1.766 3.065 -4.085 1.00 0.00 O ATOM 178 CB GLU A 152 0.342 4.044 -1.918 1.00 0.00 C ATOM 179 CG GLU A 152 -0.038 4.662 -0.582 1.00 0.00 C ATOM 180 CD GLU A 152 -0.688 6.017 -0.734 1.00 0.00 C ATOM 181 OE1 GLU A 152 0.018 6.981 -1.097 1.00 0.00 O ATOM 182 OE2 GLU A 152 -1.908 6.132 -0.488 1.00 0.00 O ATOM 0 H GLU A 152 3.085 3.355 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 152 0.473 1.998 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 152 0.939 4.761 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -0.565 3.863 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -0.720 3.993 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 152 0.854 4.758 0.037 1.00 0.00 H new ATOM 189 N ASN A 153 1.709 0.960 -3.300 1.00 0.00 N ATOM 190 CA ASN A 153 2.157 0.347 -4.541 1.00 0.00 C ATOM 191 C ASN A 153 1.185 0.645 -5.677 1.00 0.00 C ATOM 192 O ASN A 153 0.011 0.303 -5.612 1.00 0.00 O ATOM 193 CB ASN A 153 2.308 -1.164 -4.356 1.00 0.00 C ATOM 194 CG ASN A 153 2.915 -1.840 -5.567 1.00 0.00 C ATOM 195 OD1 ASN A 153 3.689 -1.234 -6.308 1.00 0.00 O ATOM 196 ND2 ASN A 153 2.570 -3.101 -5.779 1.00 0.00 N ATOM 0 H ASN A 153 1.538 0.295 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 153 3.126 0.772 -4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 153 2.933 -1.359 -3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 153 1.330 -1.601 -4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 153 2.949 -3.606 -6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 153 1.925 -3.568 -5.141 1.00 0.00 H new ATOM 203 N MET A 154 1.690 1.286 -6.718 1.00 0.00 N ATOM 204 CA MET A 154 0.870 1.668 -7.861 1.00 0.00 C ATOM 205 C MET A 154 0.999 0.651 -8.990 1.00 0.00 C ATOM 206 O MET A 154 0.673 0.935 -10.143 1.00 0.00 O ATOM 207 CB MET A 154 1.249 3.075 -8.349 1.00 0.00 C ATOM 208 CG MET A 154 2.733 3.405 -8.252 1.00 0.00 C ATOM 209 SD MET A 154 3.778 2.368 -9.294 1.00 0.00 S ATOM 210 CE MET A 154 3.217 2.843 -10.929 1.00 0.00 C ATOM 0 H MET A 154 2.671 1.555 -6.797 1.00 0.00 H new ATOM 0 HA MET A 154 -0.172 1.684 -7.542 1.00 0.00 H new ATOM 0 HB2 MET A 154 0.934 3.182 -9.387 1.00 0.00 H new ATOM 0 HB3 MET A 154 0.689 3.809 -7.769 1.00 0.00 H new ATOM 0 HG2 MET A 154 2.882 4.449 -8.528 1.00 0.00 H new ATOM 0 HG3 MET A 154 3.052 3.301 -7.215 1.00 0.00 H new ATOM 0 HE1 MET A 154 4.079 3.035 -11.568 1.00 0.00 H new ATOM 0 HE2 MET A 154 2.621 2.037 -11.357 1.00 0.00 H new ATOM 0 HE3 MET A 154 2.610 3.745 -10.857 1.00 0.00 H new ATOM 220 N ALA A 155 1.444 -0.549 -8.640 1.00 0.00 N ATOM 221 CA ALA A 155 1.651 -1.610 -9.621 1.00 0.00 C ATOM 222 C ALA A 155 0.403 -2.476 -9.780 1.00 0.00 C ATOM 223 O ALA A 155 0.488 -3.639 -10.168 1.00 0.00 O ATOM 224 CB ALA A 155 2.843 -2.466 -9.219 1.00 0.00 C ATOM 0 H ALA A 155 1.670 -0.814 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 155 1.854 -1.143 -10.585 1.00 0.00 H new ATOM 0 HB1 ALA A 155 2.990 -3.255 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 155 3.737 -1.845 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 155 2.657 -2.913 -8.242 1.00 0.00 H new ATOM 230 N ARG A 156 -0.755 -1.895 -9.495 1.00 0.00 N ATOM 231 CA ARG A 156 -2.016 -2.590 -9.638 1.00 0.00 C ATOM 232 C ARG A 156 -3.121 -1.613 -9.998 1.00 0.00 C ATOM 233 O ARG A 156 -3.203 -0.513 -9.454 1.00 0.00 O ATOM 234 CB ARG A 156 -2.375 -3.394 -8.374 1.00 0.00 C ATOM 235 CG ARG A 156 -1.983 -2.743 -7.047 1.00 0.00 C ATOM 236 CD ARG A 156 -2.891 -1.585 -6.666 1.00 0.00 C ATOM 237 NE ARG A 156 -2.619 -1.110 -5.312 1.00 0.00 N ATOM 238 CZ ARG A 156 -3.073 0.042 -4.818 1.00 0.00 C ATOM 239 NH1 ARG A 156 -3.733 0.889 -5.602 1.00 0.00 N ATOM 240 NH2 ARG A 156 -2.845 0.359 -3.546 1.00 0.00 N ATOM 0 H ARG A 156 -0.841 -0.935 -9.161 1.00 0.00 H new ATOM 0 HA ARG A 156 -1.909 -3.308 -10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -3.451 -3.569 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.894 -4.370 -8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.010 -3.494 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -0.955 -2.386 -7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -2.754 -0.767 -7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -3.932 -1.899 -6.739 1.00 0.00 H new ATOM 0 HE ARG A 156 -2.045 -1.697 -4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -3.892 0.658 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -4.080 1.770 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -2.322 -0.280 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -3.193 1.241 -3.170 1.00 0.00 H new ATOM 254 N TYR A 157 -3.932 -2.021 -10.951 1.00 0.00 N ATOM 255 CA TYR A 157 -5.072 -1.236 -11.401 1.00 0.00 C ATOM 256 C TYR A 157 -6.137 -1.143 -10.310 1.00 0.00 C ATOM 257 O TYR A 157 -6.226 -2.016 -9.444 1.00 0.00 O ATOM 258 CB TYR A 157 -5.678 -1.870 -12.660 1.00 0.00 C ATOM 259 CG TYR A 157 -4.766 -1.849 -13.865 1.00 0.00 C ATOM 260 CD1 TYR A 157 -3.865 -2.881 -14.101 1.00 0.00 C ATOM 261 CD2 TYR A 157 -4.813 -0.798 -14.772 1.00 0.00 C ATOM 262 CE1 TYR A 157 -3.036 -2.863 -15.205 1.00 0.00 C ATOM 263 CE2 TYR A 157 -3.988 -0.774 -15.877 1.00 0.00 C ATOM 264 CZ TYR A 157 -3.101 -1.808 -16.089 1.00 0.00 C ATOM 265 OH TYR A 157 -2.277 -1.785 -17.190 1.00 0.00 O ATOM 0 H TYR A 157 -3.822 -2.909 -11.440 1.00 0.00 H new ATOM 0 HA TYR A 157 -4.723 -0.229 -11.630 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -5.946 -2.903 -12.440 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -6.601 -1.347 -12.908 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -3.813 -3.710 -13.410 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -5.507 0.014 -14.609 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -2.340 -3.671 -15.375 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -4.037 0.051 -16.573 1.00 0.00 H new ATOM 0 HH TYR A 157 -2.450 -0.973 -17.711 1.00 0.00 H new ATOM 275 N PRO A 158 -6.964 -0.085 -10.342 1.00 0.00 N ATOM 276 CA PRO A 158 -8.091 0.071 -9.415 1.00 0.00 C ATOM 277 C PRO A 158 -9.106 -1.059 -9.573 1.00 0.00 C ATOM 278 O PRO A 158 -9.839 -1.396 -8.643 1.00 0.00 O ATOM 279 CB PRO A 158 -8.714 1.414 -9.815 1.00 0.00 C ATOM 280 CG PRO A 158 -8.221 1.677 -11.195 1.00 0.00 C ATOM 281 CD PRO A 158 -6.861 1.049 -11.273 1.00 0.00 C ATOM 0 HA PRO A 158 -7.774 0.040 -8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -9.803 1.367 -9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -8.412 2.207 -9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -8.893 1.247 -11.938 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -8.169 2.747 -11.394 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.626 0.720 -12.285 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -6.077 1.746 -10.975 1.00 0.00 H new ATOM 289 N ASN A 159 -9.127 -1.647 -10.760 1.00 0.00 N ATOM 290 CA ASN A 159 -9.994 -2.776 -11.056 1.00 0.00 C ATOM 291 C ASN A 159 -9.188 -4.071 -11.047 1.00 0.00 C ATOM 292 O ASN A 159 -9.464 -4.992 -11.816 1.00 0.00 O ATOM 293 CB ASN A 159 -10.685 -2.594 -12.415 1.00 0.00 C ATOM 294 CG ASN A 159 -9.709 -2.388 -13.565 1.00 0.00 C ATOM 295 OD1 ASN A 159 -8.663 -1.755 -13.407 1.00 0.00 O ATOM 296 ND2 ASN A 159 -10.042 -2.918 -14.731 1.00 0.00 N ATOM 0 H ASN A 159 -8.544 -1.355 -11.544 1.00 0.00 H new ATOM 0 HA ASN A 159 -10.763 -2.829 -10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -11.300 -3.470 -12.622 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -11.358 -1.738 -12.361 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -9.425 -2.809 -15.536 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -10.916 -3.436 -14.825 1.00 0.00 H new