USER MOD reduce.3.24.130724 H: found=0, std=0, add=205, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 208 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 143 ASN : amide:sc= -0.486 K(o=-0.49,f=-3.1!) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 30:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.18) USER MOD Single : A 154 MET CE :methyl 153:sc= -0.151 (180deg=-2.11) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.42) USER MOD Single : A 160 GLN : amide:sc= -0.293 K(o=-0.29,f=-3.3!) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 CYS SG : rot -130:sc= 0.0565 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 142 19.376 -8.017 1.467 1.00 0.00 N ATOM 2 CA GLY A 142 18.807 -6.868 0.727 1.00 0.00 C ATOM 3 C GLY A 142 18.471 -5.722 1.655 1.00 0.00 C ATOM 4 O GLY A 142 17.451 -5.762 2.347 1.00 0.00 O ATOM 0 HA2 GLY A 142 19.519 -6.531 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 142 17.908 -7.184 0.197 1.00 0.00 H new ATOM 10 N ASN A 143 19.335 -4.711 1.677 1.00 0.00 N ATOM 11 CA ASN A 143 19.140 -3.538 2.524 1.00 0.00 C ATOM 12 C ASN A 143 17.825 -2.858 2.165 1.00 0.00 C ATOM 13 O ASN A 143 16.926 -2.731 2.998 1.00 0.00 O ATOM 14 CB ASN A 143 20.312 -2.565 2.344 1.00 0.00 C ATOM 15 CG ASN A 143 20.285 -1.379 3.304 1.00 0.00 C ATOM 16 OD1 ASN A 143 19.226 -0.938 3.748 1.00 0.00 O ATOM 17 ND2 ASN A 143 21.456 -0.843 3.620 1.00 0.00 N ATOM 0 H ASN A 143 20.184 -4.681 1.113 1.00 0.00 H new ATOM 0 HA ASN A 143 19.101 -3.848 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 143 21.247 -3.109 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 143 20.307 -2.191 1.320 1.00 0.00 H new ATOM 0 HD21 ASN A 143 21.497 -0.041 4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 143 22.316 -1.233 3.234 1.00 0.00 H new ATOM 24 N ASP A 144 17.713 -2.440 0.920 1.00 0.00 N ATOM 25 CA ASP A 144 16.497 -1.821 0.433 1.00 0.00 C ATOM 26 C ASP A 144 15.940 -2.641 -0.716 1.00 0.00 C ATOM 27 O ASP A 144 16.687 -3.142 -1.560 1.00 0.00 O ATOM 28 CB ASP A 144 16.741 -0.369 -0.009 1.00 0.00 C ATOM 29 CG ASP A 144 17.532 -0.255 -1.300 1.00 0.00 C ATOM 30 OD1 ASP A 144 18.731 -0.605 -1.305 1.00 0.00 O ATOM 31 OD2 ASP A 144 16.957 0.190 -2.316 1.00 0.00 O ATOM 0 H ASP A 144 18.454 -2.519 0.224 1.00 0.00 H new ATOM 0 HA ASP A 144 15.772 -1.794 1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 144 15.780 0.131 -0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.273 0.159 0.782 1.00 0.00 H new ATOM 36 N TYR A 145 14.635 -2.816 -0.720 1.00 0.00 N ATOM 37 CA TYR A 145 13.974 -3.561 -1.780 1.00 0.00 C ATOM 38 C TYR A 145 12.791 -2.774 -2.311 1.00 0.00 C ATOM 39 O TYR A 145 12.569 -2.706 -3.521 1.00 0.00 O ATOM 40 CB TYR A 145 13.557 -4.963 -1.296 1.00 0.00 C ATOM 41 CG TYR A 145 12.583 -4.984 -0.130 1.00 0.00 C ATOM 42 CD1 TYR A 145 12.961 -4.553 1.139 1.00 0.00 C ATOM 43 CD2 TYR A 145 11.285 -5.448 -0.300 1.00 0.00 C ATOM 44 CE1 TYR A 145 12.070 -4.583 2.198 1.00 0.00 C ATOM 45 CE2 TYR A 145 10.391 -5.480 0.754 1.00 0.00 C ATOM 46 CZ TYR A 145 10.787 -5.047 2.000 1.00 0.00 C ATOM 47 OH TYR A 145 9.897 -5.075 3.050 1.00 0.00 O ATOM 0 H TYR A 145 14.007 -2.454 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 145 14.679 -3.704 -2.599 1.00 0.00 H new ATOM 0 HB2 TYR A 145 13.109 -5.500 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 145 14.454 -5.512 -1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 145 13.965 -4.190 1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 145 10.968 -5.790 -1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 145 12.379 -4.244 3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 145 9.386 -5.843 0.601 1.00 0.00 H new ATOM 0 HH TYR A 145 9.037 -5.428 2.741 1.00 0.00 H new ATOM 57 N GLU A 146 12.041 -2.162 -1.409 1.00 0.00 N ATOM 58 CA GLU A 146 10.968 -1.272 -1.799 1.00 0.00 C ATOM 59 C GLU A 146 10.532 -0.412 -0.620 1.00 0.00 C ATOM 60 O GLU A 146 10.041 -0.909 0.389 1.00 0.00 O ATOM 61 CB GLU A 146 9.791 -2.059 -2.383 1.00 0.00 C ATOM 62 CG GLU A 146 9.157 -3.051 -1.427 1.00 0.00 C ATOM 63 CD GLU A 146 8.067 -3.861 -2.089 1.00 0.00 C ATOM 64 OE1 GLU A 146 6.961 -3.322 -2.284 1.00 0.00 O ATOM 65 OE2 GLU A 146 8.316 -5.035 -2.425 1.00 0.00 O ATOM 0 H GLU A 146 12.158 -2.268 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 146 11.338 -0.607 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 146 9.028 -1.354 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 146 10.133 -2.595 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 146 9.924 -3.723 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 146 8.742 -2.516 -0.572 1.00 0.00 H new ATOM 72 N ASP A 147 10.739 0.887 -0.747 1.00 0.00 N ATOM 73 CA ASP A 147 10.351 1.836 0.284 1.00 0.00 C ATOM 74 C ASP A 147 9.571 2.956 -0.374 1.00 0.00 C ATOM 75 O ASP A 147 9.053 3.861 0.274 1.00 0.00 O ATOM 76 CB ASP A 147 11.592 2.371 1.005 1.00 0.00 C ATOM 77 CG ASP A 147 11.266 3.135 2.275 1.00 0.00 C ATOM 78 OD1 ASP A 147 11.142 2.494 3.343 1.00 0.00 O ATOM 79 OD2 ASP A 147 11.153 4.373 2.222 1.00 0.00 O ATOM 0 H ASP A 147 11.178 1.313 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 147 9.725 1.351 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 147 12.249 1.537 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.144 3.023 0.328 1.00 0.00 H new ATOM 84 N ARG A 148 9.468 2.852 -1.690 1.00 0.00 N ATOM 85 CA ARG A 148 8.698 3.792 -2.475 1.00 0.00 C ATOM 86 C ARG A 148 7.550 3.051 -3.147 1.00 0.00 C ATOM 87 O ARG A 148 6.742 3.633 -3.865 1.00 0.00 O ATOM 88 CB ARG A 148 9.582 4.499 -3.513 1.00 0.00 C ATOM 89 CG ARG A 148 10.262 3.555 -4.492 1.00 0.00 C ATOM 90 CD ARG A 148 11.194 4.293 -5.444 1.00 0.00 C ATOM 91 NE ARG A 148 11.898 3.369 -6.335 1.00 0.00 N ATOM 92 CZ ARG A 148 12.707 3.747 -7.327 1.00 0.00 C ATOM 93 NH1 ARG A 148 12.901 5.034 -7.584 1.00 0.00 N ATOM 94 NH2 ARG A 148 13.309 2.831 -8.073 1.00 0.00 N ATOM 0 H ARG A 148 9.915 2.116 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 148 8.294 4.563 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 148 8.972 5.208 -4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 148 10.345 5.077 -2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 148 10.828 2.806 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 148 9.505 3.022 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 148 10.620 5.005 -6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 148 11.920 4.869 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 148 11.761 2.369 -6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 148 12.430 5.743 -7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 148 13.521 5.315 -8.344 1.00 0.00 H new ATOM 0 HH21 ARG A 148 13.153 1.840 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 148 13.928 3.117 -8.832 1.00 0.00 H new ATOM 108 N TYR A 149 7.503 1.749 -2.888 1.00 0.00 N ATOM 109 CA TYR A 149 6.480 0.865 -3.440 1.00 0.00 C ATOM 110 C TYR A 149 5.675 0.234 -2.321 1.00 0.00 C ATOM 111 O TYR A 149 4.451 0.177 -2.364 1.00 0.00 O ATOM 112 CB TYR A 149 7.123 -0.287 -4.203 1.00 0.00 C ATOM 113 CG TYR A 149 8.088 0.104 -5.295 1.00 0.00 C ATOM 114 CD1 TYR A 149 7.639 0.489 -6.551 1.00 0.00 C ATOM 115 CD2 TYR A 149 9.457 0.051 -5.074 1.00 0.00 C ATOM 116 CE1 TYR A 149 8.531 0.811 -7.556 1.00 0.00 C ATOM 117 CE2 TYR A 149 10.353 0.375 -6.070 1.00 0.00 C ATOM 118 CZ TYR A 149 9.886 0.752 -7.308 1.00 0.00 C ATOM 119 OH TYR A 149 10.778 1.072 -8.302 1.00 0.00 O ATOM 0 H TYR A 149 8.176 1.274 -2.287 1.00 0.00 H new ATOM 0 HA TYR A 149 5.851 1.468 -4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 149 7.649 -0.921 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 149 6.331 -0.892 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 149 6.578 0.538 -6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 149 9.827 -0.249 -4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 149 8.169 1.107 -8.530 1.00 0.00 H new ATOM 0 HE2 TYR A 149 11.415 0.333 -5.880 1.00 0.00 H new ATOM 0 HH TYR A 149 10.376 1.735 -8.901 1.00 0.00 H new ATOM 129 N TYR A 150 6.417 -0.240 -1.322 1.00 0.00 N ATOM 130 CA TYR A 150 5.896 -1.089 -0.254 1.00 0.00 C ATOM 131 C TYR A 150 4.645 -0.517 0.401 1.00 0.00 C ATOM 132 O TYR A 150 3.797 -1.265 0.881 1.00 0.00 O ATOM 133 CB TYR A 150 6.989 -1.293 0.791 1.00 0.00 C ATOM 134 CG TYR A 150 6.641 -2.259 1.903 1.00 0.00 C ATOM 135 CD1 TYR A 150 6.373 -3.596 1.634 1.00 0.00 C ATOM 136 CD2 TYR A 150 6.592 -1.832 3.223 1.00 0.00 C ATOM 137 CE1 TYR A 150 6.062 -4.476 2.651 1.00 0.00 C ATOM 138 CE2 TYR A 150 6.284 -2.708 4.244 1.00 0.00 C ATOM 139 CZ TYR A 150 6.020 -4.028 3.952 1.00 0.00 C ATOM 140 OH TYR A 150 5.716 -4.906 4.968 1.00 0.00 O ATOM 0 H TYR A 150 7.413 -0.041 -1.231 1.00 0.00 H new ATOM 0 HA TYR A 150 5.605 -2.041 -0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 150 7.888 -1.650 0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 150 7.233 -0.327 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 150 6.409 -3.951 0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 150 6.798 -0.798 3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 150 5.853 -5.512 2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 150 6.250 -2.361 5.266 1.00 0.00 H new ATOM 0 HH TYR A 150 5.729 -4.431 5.825 1.00 0.00 H new ATOM 150 N ARG A 151 4.542 0.803 0.423 1.00 0.00 N ATOM 151 CA ARG A 151 3.391 1.459 1.021 1.00 0.00 C ATOM 152 C ARG A 151 2.165 1.281 0.131 1.00 0.00 C ATOM 153 O ARG A 151 1.172 0.676 0.541 1.00 0.00 O ATOM 154 CB ARG A 151 3.663 2.952 1.250 1.00 0.00 C ATOM 155 CG ARG A 151 4.817 3.252 2.206 1.00 0.00 C ATOM 156 CD ARG A 151 6.170 3.287 1.498 1.00 0.00 C ATOM 157 NE ARG A 151 6.934 2.044 1.655 1.00 0.00 N ATOM 158 CZ ARG A 151 7.737 1.802 2.699 1.00 0.00 C ATOM 159 NH1 ARG A 151 7.846 2.690 3.680 1.00 0.00 N ATOM 160 NH2 ARG A 151 8.444 0.680 2.755 1.00 0.00 N ATOM 0 H ARG A 151 5.239 1.439 0.035 1.00 0.00 H new ATOM 0 HA ARG A 151 3.202 0.996 1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 151 3.874 3.420 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 151 2.757 3.417 1.639 1.00 0.00 H new ATOM 0 HG2 ARG A 151 4.641 4.211 2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 151 4.841 2.496 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 151 6.013 3.478 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 151 6.756 4.119 1.889 1.00 0.00 H new ATOM 0 HE ARG A 151 6.849 1.329 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 151 7.317 3.561 3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 151 8.459 2.501 4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 151 8.377 -0.003 2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 151 9.054 0.501 3.553 1.00 0.00 H new ATOM 174 N GLU A 152 2.243 1.801 -1.089 1.00 0.00 N ATOM 175 CA GLU A 152 1.151 1.682 -2.046 1.00 0.00 C ATOM 176 C GLU A 152 1.704 1.476 -3.455 1.00 0.00 C ATOM 177 O GLU A 152 1.879 0.347 -3.910 1.00 0.00 O ATOM 178 CB GLU A 152 0.262 2.932 -2.019 1.00 0.00 C ATOM 179 CG GLU A 152 -0.310 3.260 -0.653 1.00 0.00 C ATOM 180 CD GLU A 152 -1.116 4.537 -0.658 1.00 0.00 C ATOM 181 OE1 GLU A 152 -0.513 5.624 -0.802 1.00 0.00 O ATOM 182 OE2 GLU A 152 -2.354 4.462 -0.532 1.00 0.00 O ATOM 0 H GLU A 152 3.054 2.311 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 152 0.548 0.819 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 152 0.843 3.785 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -0.560 2.794 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -0.941 2.436 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 152 0.504 3.350 0.067 1.00 0.00 H new ATOM 189 N ASN A 153 1.992 2.586 -4.126 1.00 0.00 N ATOM 190 CA ASN A 153 2.569 2.575 -5.468 1.00 0.00 C ATOM 191 C ASN A 153 3.337 3.864 -5.701 1.00 0.00 C ATOM 192 O ASN A 153 4.555 3.855 -5.870 1.00 0.00 O ATOM 193 CB ASN A 153 1.486 2.425 -6.547 1.00 0.00 C ATOM 194 CG ASN A 153 1.194 0.979 -6.916 1.00 0.00 C ATOM 195 OD1 ASN A 153 0.058 0.630 -7.244 1.00 0.00 O ATOM 196 ND2 ASN A 153 2.216 0.136 -6.891 1.00 0.00 N ATOM 0 H ASN A 153 1.832 3.522 -3.754 1.00 0.00 H new ATOM 0 HA ASN A 153 3.240 1.719 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 153 0.567 2.895 -6.196 1.00 0.00 H new ATOM 0 HB3 ASN A 153 1.798 2.964 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 153 2.078 -0.841 -7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 153 3.141 0.464 -6.614 1.00 0.00 H new ATOM 203 N MET A 154 2.611 4.973 -5.689 1.00 0.00 N ATOM 204 CA MET A 154 3.198 6.291 -5.875 1.00 0.00 C ATOM 205 C MET A 154 2.364 7.338 -5.146 1.00 0.00 C ATOM 206 O MET A 154 1.405 7.879 -5.699 1.00 0.00 O ATOM 207 CB MET A 154 3.294 6.633 -7.367 1.00 0.00 C ATOM 208 CG MET A 154 3.873 8.016 -7.649 1.00 0.00 C ATOM 209 SD MET A 154 4.002 8.375 -9.413 1.00 0.00 S ATOM 210 CE MET A 154 2.286 8.245 -9.908 1.00 0.00 C ATOM 0 H MET A 154 1.601 4.984 -5.550 1.00 0.00 H new ATOM 0 HA MET A 154 4.205 6.287 -5.459 1.00 0.00 H new ATOM 0 HB2 MET A 154 3.911 5.884 -7.862 1.00 0.00 H new ATOM 0 HB3 MET A 154 2.300 6.569 -7.809 1.00 0.00 H new ATOM 0 HG2 MET A 154 3.246 8.771 -7.174 1.00 0.00 H new ATOM 0 HG3 MET A 154 4.861 8.091 -7.195 1.00 0.00 H new ATOM 0 HE1 MET A 154 2.111 8.871 -10.783 1.00 0.00 H new ATOM 0 HE2 MET A 154 2.055 7.208 -10.152 1.00 0.00 H new ATOM 0 HE3 MET A 154 1.645 8.577 -9.091 1.00 0.00 H new ATOM 220 N ALA A 155 2.716 7.595 -3.893 1.00 0.00 N ATOM 221 CA ALA A 155 2.005 8.580 -3.084 1.00 0.00 C ATOM 222 C ALA A 155 2.598 9.966 -3.294 1.00 0.00 C ATOM 223 O ALA A 155 1.909 10.978 -3.174 1.00 0.00 O ATOM 224 CB ALA A 155 2.055 8.198 -1.614 1.00 0.00 C ATOM 0 H ALA A 155 3.490 7.135 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 155 0.962 8.598 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 155 1.520 8.944 -1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 155 1.588 7.223 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 155 3.093 8.153 -1.285 1.00 0.00 H new ATOM 230 N ARG A 156 3.885 9.997 -3.613 1.00 0.00 N ATOM 231 CA ARG A 156 4.574 11.244 -3.919 1.00 0.00 C ATOM 232 C ARG A 156 4.180 11.750 -5.305 1.00 0.00 C ATOM 233 O ARG A 156 4.948 11.668 -6.259 1.00 0.00 O ATOM 234 CB ARG A 156 6.099 11.079 -3.801 1.00 0.00 C ATOM 235 CG ARG A 156 6.586 9.635 -3.896 1.00 0.00 C ATOM 236 CD ARG A 156 6.386 9.044 -5.283 1.00 0.00 C ATOM 237 NE ARG A 156 6.530 7.588 -5.287 1.00 0.00 N ATOM 238 CZ ARG A 156 7.074 6.895 -6.289 1.00 0.00 C ATOM 239 NH1 ARG A 156 7.543 7.516 -7.365 1.00 0.00 N ATOM 240 NH2 ARG A 156 7.140 5.572 -6.224 1.00 0.00 N ATOM 0 H ARG A 156 4.476 9.168 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 156 4.267 11.990 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 156 6.577 11.663 -4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 156 6.425 11.498 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 156 7.644 9.594 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 156 6.054 9.026 -3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 156 5.395 9.311 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 156 7.110 9.481 -5.971 1.00 0.00 H new ATOM 0 HE ARG A 156 6.194 7.071 -4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 156 7.489 8.532 -7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 156 7.957 6.977 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 156 6.775 5.083 -5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 156 7.556 5.044 -6.991 1.00 0.00 H new ATOM 254 N TYR A 157 2.952 12.235 -5.405 1.00 0.00 N ATOM 255 CA TYR A 157 2.424 12.766 -6.653 1.00 0.00 C ATOM 256 C TYR A 157 2.386 14.300 -6.617 1.00 0.00 C ATOM 257 O TYR A 157 2.890 14.948 -7.531 1.00 0.00 O ATOM 258 CB TYR A 157 1.029 12.188 -6.924 1.00 0.00 C ATOM 259 CG TYR A 157 0.545 12.362 -8.346 1.00 0.00 C ATOM 260 CD1 TYR A 157 0.997 11.521 -9.355 1.00 0.00 C ATOM 261 CD2 TYR A 157 -0.376 13.348 -8.678 1.00 0.00 C ATOM 262 CE1 TYR A 157 0.550 11.660 -10.653 1.00 0.00 C ATOM 263 CE2 TYR A 157 -0.832 13.488 -9.973 1.00 0.00 C ATOM 264 CZ TYR A 157 -0.365 12.642 -10.956 1.00 0.00 C ATOM 265 OH TYR A 157 -0.826 12.770 -12.245 1.00 0.00 O ATOM 0 H TYR A 157 2.295 12.272 -4.626 1.00 0.00 H new ATOM 0 HA TYR A 157 3.084 12.468 -7.467 1.00 0.00 H new ATOM 0 HB2 TYR A 157 1.037 11.125 -6.684 1.00 0.00 H new ATOM 0 HB3 TYR A 157 0.316 12.662 -6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 157 1.710 10.745 -9.120 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -0.741 14.015 -7.911 1.00 0.00 H new ATOM 0 HE1 TYR A 157 0.916 11.002 -11.427 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -1.551 14.257 -10.215 1.00 0.00 H new ATOM 0 HH TYR A 157 -1.467 13.510 -12.291 1.00 0.00 H new ATOM 275 N PRO A 158 1.795 14.919 -5.567 1.00 0.00 N ATOM 276 CA PRO A 158 1.815 16.374 -5.413 1.00 0.00 C ATOM 277 C PRO A 158 3.035 16.858 -4.629 1.00 0.00 C ATOM 278 O PRO A 158 3.129 18.028 -4.259 1.00 0.00 O ATOM 279 CB PRO A 158 0.538 16.634 -4.622 1.00 0.00 C ATOM 280 CG PRO A 158 0.416 15.447 -3.727 1.00 0.00 C ATOM 281 CD PRO A 158 1.019 14.282 -4.479 1.00 0.00 C ATOM 0 HA PRO A 158 1.870 16.897 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 158 0.605 17.559 -4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -0.326 16.728 -5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.940 15.615 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -0.628 15.252 -3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 158 1.658 13.679 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 158 0.248 13.620 -4.874 1.00 0.00 H new ATOM 289 N ASN A 159 3.967 15.949 -4.381 1.00 0.00 N ATOM 290 CA ASN A 159 5.137 16.256 -3.568 1.00 0.00 C ATOM 291 C ASN A 159 6.416 16.062 -4.382 1.00 0.00 C ATOM 292 O ASN A 159 7.522 16.081 -3.849 1.00 0.00 O ATOM 293 CB ASN A 159 5.134 15.373 -2.311 1.00 0.00 C ATOM 294 CG ASN A 159 6.157 15.800 -1.271 1.00 0.00 C ATOM 295 OD1 ASN A 159 7.264 15.264 -1.209 1.00 0.00 O ATOM 296 ND2 ASN A 159 5.791 16.774 -0.450 1.00 0.00 N ATOM 0 H ASN A 159 3.936 14.991 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 159 5.100 17.300 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 159 4.141 15.395 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 159 5.330 14.341 -2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 159 6.436 17.106 0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 159 4.864 17.191 -0.535 1.00 0.00 H new ATOM 303 N GLN A 160 6.257 15.899 -5.686 1.00 0.00 N ATOM 304 CA GLN A 160 7.395 15.726 -6.573 1.00 0.00 C ATOM 305 C GLN A 160 7.646 16.999 -7.371 1.00 0.00 C ATOM 306 O GLN A 160 6.877 17.961 -7.285 1.00 0.00 O ATOM 307 CB GLN A 160 7.188 14.510 -7.496 1.00 0.00 C ATOM 308 CG GLN A 160 5.840 14.458 -8.207 1.00 0.00 C ATOM 309 CD GLN A 160 5.763 15.340 -9.438 1.00 0.00 C ATOM 310 OE1 GLN A 160 5.387 16.509 -9.361 1.00 0.00 O ATOM 311 NE2 GLN A 160 6.094 14.774 -10.586 1.00 0.00 N ATOM 0 H GLN A 160 5.350 15.883 -6.153 1.00 0.00 H new ATOM 0 HA GLN A 160 8.281 15.531 -5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 160 7.978 14.505 -8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 160 7.305 13.601 -6.905 1.00 0.00 H new ATOM 0 HG2 GLN A 160 5.632 13.428 -8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 160 5.059 14.757 -7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 160 6.401 13.801 -10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 160 6.043 15.310 -11.452 1.00 0.00 H new ATOM 320 N VAL A 161 8.720 17.012 -8.142 1.00 0.00 N ATOM 321 CA VAL A 161 9.064 18.182 -8.931 1.00 0.00 C ATOM 322 C VAL A 161 8.458 18.078 -10.323 1.00 0.00 C ATOM 323 O VAL A 161 9.058 17.509 -11.237 1.00 0.00 O ATOM 324 CB VAL A 161 10.591 18.375 -9.043 1.00 0.00 C ATOM 325 CG1 VAL A 161 10.921 19.670 -9.775 1.00 0.00 C ATOM 326 CG2 VAL A 161 11.234 18.362 -7.667 1.00 0.00 C ATOM 0 H VAL A 161 9.366 16.229 -8.238 1.00 0.00 H new ATOM 0 HA VAL A 161 8.653 19.050 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 161 10.996 17.544 -9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 161 12.003 19.785 -9.842 1.00 0.00 H new ATOM 0 HG12 VAL A 161 10.497 19.639 -10.779 1.00 0.00 H new ATOM 0 HG13 VAL A 161 10.500 20.514 -9.229 1.00 0.00 H new ATOM 0 HG21 VAL A 161 12.311 18.499 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 161 10.820 19.170 -7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 161 11.034 17.407 -7.181 1.00 0.00 H new ATOM 336 N TYR A 162 7.251 18.603 -10.465 1.00 0.00 N ATOM 337 CA TYR A 162 6.547 18.578 -11.746 1.00 0.00 C ATOM 338 C TYR A 162 7.266 19.459 -12.764 1.00 0.00 C ATOM 339 O TYR A 162 7.421 19.102 -13.930 1.00 0.00 O ATOM 340 CB TYR A 162 5.102 19.057 -11.557 1.00 0.00 C ATOM 341 CG TYR A 162 4.244 18.911 -12.793 1.00 0.00 C ATOM 342 CD1 TYR A 162 3.584 17.721 -13.057 1.00 0.00 C ATOM 343 CD2 TYR A 162 4.094 19.959 -13.691 1.00 0.00 C ATOM 344 CE1 TYR A 162 2.800 17.576 -14.184 1.00 0.00 C ATOM 345 CE2 TYR A 162 3.310 19.824 -14.822 1.00 0.00 C ATOM 346 CZ TYR A 162 2.663 18.630 -15.064 1.00 0.00 C ATOM 347 OH TYR A 162 1.880 18.483 -16.191 1.00 0.00 O ATOM 0 H TYR A 162 6.734 19.053 -9.710 1.00 0.00 H new ATOM 0 HA TYR A 162 6.535 17.555 -12.121 1.00 0.00 H new ATOM 0 HB2 TYR A 162 4.647 18.495 -10.742 1.00 0.00 H new ATOM 0 HB3 TYR A 162 5.113 20.104 -11.255 1.00 0.00 H new ATOM 0 HD1 TYR A 162 3.685 16.894 -12.370 1.00 0.00 H new ATOM 0 HD2 TYR A 162 4.598 20.895 -13.503 1.00 0.00 H new ATOM 0 HE1 TYR A 162 2.296 16.641 -14.376 1.00 0.00 H new ATOM 0 HE2 TYR A 162 3.205 20.648 -15.512 1.00 0.00 H new ATOM 0 HH TYR A 162 1.887 19.317 -16.705 1.00 0.00 H new ATOM 357 N TYR A 163 7.721 20.596 -12.278 1.00 0.00 N ATOM 358 CA TYR A 163 8.374 21.616 -13.080 1.00 0.00 C ATOM 359 C TYR A 163 8.959 22.640 -12.125 1.00 0.00 C ATOM 360 O TYR A 163 10.174 22.815 -12.038 1.00 0.00 O ATOM 361 CB TYR A 163 7.373 22.271 -14.034 1.00 0.00 C ATOM 362 CG TYR A 163 7.998 23.243 -15.014 1.00 0.00 C ATOM 363 CD1 TYR A 163 8.506 22.805 -16.232 1.00 0.00 C ATOM 364 CD2 TYR A 163 8.074 24.599 -14.721 1.00 0.00 C ATOM 365 CE1 TYR A 163 9.073 23.691 -17.129 1.00 0.00 C ATOM 366 CE2 TYR A 163 8.640 25.490 -15.613 1.00 0.00 C ATOM 367 CZ TYR A 163 9.137 25.032 -16.815 1.00 0.00 C ATOM 368 OH TYR A 163 9.705 25.918 -17.704 1.00 0.00 O ATOM 0 H TYR A 163 7.646 20.844 -11.291 1.00 0.00 H new ATOM 0 HA TYR A 163 9.162 21.177 -13.692 1.00 0.00 H new ATOM 0 HB2 TYR A 163 6.856 21.491 -14.592 1.00 0.00 H new ATOM 0 HB3 TYR A 163 6.619 22.797 -13.448 1.00 0.00 H new ATOM 0 HD1 TYR A 163 8.457 21.755 -16.481 1.00 0.00 H new ATOM 0 HD2 TYR A 163 7.685 24.962 -13.781 1.00 0.00 H new ATOM 0 HE1 TYR A 163 9.464 23.335 -18.071 1.00 0.00 H new ATOM 0 HE2 TYR A 163 8.693 26.541 -15.370 1.00 0.00 H new ATOM 0 HH TYR A 163 9.670 26.824 -17.331 1.00 0.00 H new ATOM 378 N ARG A 164 8.070 23.300 -11.391 1.00 0.00 N ATOM 379 CA ARG A 164 8.463 24.116 -10.250 1.00 0.00 C ATOM 380 C ARG A 164 7.270 24.338 -9.292 1.00 0.00 C ATOM 381 O ARG A 164 7.095 25.439 -8.775 1.00 0.00 O ATOM 382 CB ARG A 164 9.020 25.467 -10.727 1.00 0.00 C ATOM 383 CG ARG A 164 9.838 26.209 -9.671 1.00 0.00 C ATOM 384 CD ARG A 164 11.144 25.488 -9.371 1.00 0.00 C ATOM 385 NE ARG A 164 11.814 26.027 -8.185 1.00 0.00 N ATOM 386 CZ ARG A 164 13.118 25.901 -7.939 1.00 0.00 C ATOM 387 NH1 ARG A 164 13.919 25.326 -8.827 1.00 0.00 N ATOM 388 NH2 ARG A 164 13.624 26.367 -6.805 1.00 0.00 N ATOM 0 H ARG A 164 7.066 23.285 -11.568 1.00 0.00 H new ATOM 0 HA ARG A 164 9.243 23.585 -9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 164 9.644 25.302 -11.605 1.00 0.00 H new ATOM 0 HB3 ARG A 164 8.190 26.100 -11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 164 10.051 27.220 -10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 164 9.254 26.302 -8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 164 10.945 24.427 -9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 164 11.809 25.571 -10.231 1.00 0.00 H new ATOM 0 HE ARG A 164 11.246 26.531 -7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 164 13.538 24.976 -9.706 1.00 0.00 H new ATOM 0 HH12 ARG A 164 14.916 25.234 -8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 164 13.016 26.821 -6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 164 14.622 26.272 -6.614 1.00 0.00 H new ATOM 402 N PRO A 165 6.440 23.295 -9.004 1.00 0.00 N ATOM 403 CA PRO A 165 5.282 23.440 -8.113 1.00 0.00 C ATOM 404 C PRO A 165 5.702 23.441 -6.652 1.00 0.00 C ATOM 405 O PRO A 165 4.909 23.733 -5.757 1.00 0.00 O ATOM 406 CB PRO A 165 4.454 22.193 -8.410 1.00 0.00 C ATOM 407 CG PRO A 165 5.471 21.170 -8.749 1.00 0.00 C ATOM 408 CD PRO A 165 6.549 21.907 -9.497 1.00 0.00 C ATOM 0 HA PRO A 165 4.748 24.376 -8.276 1.00 0.00 H new ATOM 0 HB2 PRO A 165 3.857 21.894 -7.549 1.00 0.00 H new ATOM 0 HB3 PRO A 165 3.762 22.359 -9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 165 5.869 20.699 -7.850 1.00 0.00 H new ATOM 0 HG3 PRO A 165 5.041 20.377 -9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.534 21.487 -9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 165 6.396 21.853 -10.575 1.00 0.00 H new ATOM 416 N VAL A 166 6.970 23.119 -6.430 1.00 0.00 N ATOM 417 CA VAL A 166 7.514 22.963 -5.094 1.00 0.00 C ATOM 418 C VAL A 166 7.754 24.317 -4.418 1.00 0.00 C ATOM 419 O VAL A 166 8.189 24.379 -3.266 1.00 0.00 O ATOM 420 CB VAL A 166 8.838 22.168 -5.126 1.00 0.00 C ATOM 421 CG1 VAL A 166 8.593 20.738 -5.583 1.00 0.00 C ATOM 422 CG2 VAL A 166 9.862 22.853 -6.026 1.00 0.00 C ATOM 0 H VAL A 166 7.648 22.959 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 166 6.774 22.411 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 166 9.242 22.141 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 166 9.538 20.194 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 166 7.904 20.249 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 166 8.161 20.745 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 166 10.786 22.274 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 166 9.468 22.919 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 166 10.064 23.856 -5.649 1.00 0.00 H new ATOM 432 N CYS A 167 7.476 25.392 -5.145 1.00 0.00 N ATOM 433 CA CYS A 167 7.673 26.738 -4.634 1.00 0.00 C ATOM 434 C CYS A 167 6.379 27.534 -4.750 1.00 0.00 C ATOM 435 O CYS A 167 6.161 28.174 -5.800 1.00 0.00 O ATOM 436 CB CYS A 167 8.794 27.439 -5.409 1.00 0.00 C ATOM 437 SG CYS A 167 10.347 26.513 -5.455 1.00 0.00 S ATOM 438 OXT CYS A 167 5.564 27.485 -3.806 1.00 0.00 O ATOM 0 H CYS A 167 7.111 25.354 -6.097 1.00 0.00 H new ATOM 0 HA CYS A 167 7.958 26.678 -3.584 1.00 0.00 H new ATOM 0 HB2 CYS A 167 8.459 27.617 -6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 167 8.978 28.415 -4.959 1.00 0.00 H new ATOM 0 HG CYS A 167 11.327 27.292 -5.107 1.00 0.00 H new TER 444 CYS A 167