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= -0.0117 K(o=-0.012,f=-0.77) 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= 0.429 X(o=0.43,f=-0.046) USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 160 GLN : amide:sc=-3.97e-06 K(o=-4e-06,f=-0.84) 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 40:sc= 0.0356 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 142 19.542 -7.960 -2.173 1.00 0.00 N ATOM 2 CA GLY A 142 18.283 -8.473 -2.771 1.00 0.00 C ATOM 3 C GLY A 142 17.217 -8.731 -1.725 1.00 0.00 C ATOM 4 O GLY A 142 16.672 -9.833 -1.644 1.00 0.00 O ATOM 0 HA2 GLY A 142 17.909 -7.753 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 142 18.490 -9.396 -3.312 1.00 0.00 H new ATOM 10 N ASN A 143 16.929 -7.724 -0.913 1.00 0.00 N ATOM 11 CA ASN A 143 15.932 -7.845 0.147 1.00 0.00 C ATOM 12 C ASN A 143 14.930 -6.704 0.068 1.00 0.00 C ATOM 13 O ASN A 143 14.973 -5.895 -0.861 1.00 0.00 O ATOM 14 CB ASN A 143 16.603 -7.839 1.525 1.00 0.00 C ATOM 15 CG ASN A 143 17.316 -9.137 1.846 1.00 0.00 C ATOM 16 OD1 ASN A 143 16.878 -10.217 1.461 1.00 0.00 O ATOM 17 ND2 ASN A 143 18.436 -9.040 2.543 1.00 0.00 N ATOM 0 H ASN A 143 17.374 -6.808 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 143 15.410 -8.792 0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 143 17.318 -7.018 1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 143 15.849 -7.647 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 143 18.965 -9.880 2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 143 18.770 -8.125 2.847 1.00 0.00 H new ATOM 24 N ASP A 144 14.031 -6.648 1.041 1.00 0.00 N ATOM 25 CA ASP A 144 13.056 -5.570 1.124 1.00 0.00 C ATOM 26 C ASP A 144 13.743 -4.268 1.508 1.00 0.00 C ATOM 27 O ASP A 144 13.908 -3.962 2.690 1.00 0.00 O ATOM 28 CB ASP A 144 11.956 -5.900 2.140 1.00 0.00 C ATOM 29 CG ASP A 144 11.031 -7.006 1.677 1.00 0.00 C ATOM 30 OD1 ASP A 144 11.428 -8.188 1.743 1.00 0.00 O ATOM 31 OD2 ASP A 144 9.888 -6.702 1.276 1.00 0.00 O ATOM 0 H ASP A 144 13.957 -7.340 1.787 1.00 0.00 H new ATOM 0 HA ASP A 144 12.594 -5.456 0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 144 12.417 -6.192 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 144 11.370 -5.002 2.336 1.00 0.00 H new ATOM 36 N TYR A 145 14.163 -3.521 0.501 1.00 0.00 N ATOM 37 CA TYR A 145 14.857 -2.259 0.708 1.00 0.00 C ATOM 38 C TYR A 145 14.028 -1.118 0.158 1.00 0.00 C ATOM 39 O TYR A 145 14.550 -0.067 -0.226 1.00 0.00 O ATOM 40 CB TYR A 145 16.205 -2.303 -0.002 1.00 0.00 C ATOM 41 CG TYR A 145 17.389 -2.019 0.898 1.00 0.00 C ATOM 42 CD1 TYR A 145 17.779 -0.715 1.173 1.00 0.00 C ATOM 43 CD2 TYR A 145 18.117 -3.056 1.468 1.00 0.00 C ATOM 44 CE1 TYR A 145 18.862 -0.451 1.993 1.00 0.00 C ATOM 45 CE2 TYR A 145 19.201 -2.800 2.288 1.00 0.00 C ATOM 46 CZ TYR A 145 19.569 -1.496 2.547 1.00 0.00 C ATOM 47 OH TYR A 145 20.648 -1.236 3.366 1.00 0.00 O ATOM 0 H TYR A 145 14.034 -3.770 -0.480 1.00 0.00 H new ATOM 0 HA TYR A 145 15.011 -2.102 1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 145 16.334 -3.287 -0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 145 16.199 -1.577 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 145 17.228 0.107 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 145 17.832 -4.078 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 145 19.152 0.569 2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 145 19.757 -3.617 2.724 1.00 0.00 H new ATOM 0 HH TYR A 145 21.035 -2.081 3.675 1.00 0.00 H new ATOM 57 N GLU A 146 12.732 -1.330 0.126 1.00 0.00 N ATOM 58 CA GLU A 146 11.836 -0.373 -0.483 1.00 0.00 C ATOM 59 C GLU A 146 11.306 0.653 0.508 1.00 0.00 C ATOM 60 O GLU A 146 11.340 0.453 1.723 1.00 0.00 O ATOM 61 CB GLU A 146 10.679 -1.082 -1.170 1.00 0.00 C ATOM 62 CG GLU A 146 10.784 -1.030 -2.679 1.00 0.00 C ATOM 63 CD GLU A 146 11.202 0.343 -3.157 1.00 0.00 C ATOM 64 OE1 GLU A 146 10.596 1.341 -2.709 1.00 0.00 O ATOM 65 OE2 GLU A 146 12.156 0.430 -3.958 1.00 0.00 O ATOM 0 H GLU A 146 12.275 -2.155 0.514 1.00 0.00 H new ATOM 0 HA GLU A 146 12.421 0.170 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 146 10.650 -2.122 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 146 9.740 -0.625 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 146 11.507 -1.771 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 146 9.823 -1.294 -3.121 1.00 0.00 H new ATOM 72 N ASP A 147 10.800 1.748 -0.046 1.00 0.00 N ATOM 73 CA ASP A 147 10.280 2.864 0.735 1.00 0.00 C ATOM 74 C ASP A 147 9.554 3.846 -0.180 1.00 0.00 C ATOM 75 O ASP A 147 8.701 4.613 0.265 1.00 0.00 O ATOM 76 CB ASP A 147 11.410 3.574 1.492 1.00 0.00 C ATOM 77 CG ASP A 147 10.926 4.759 2.314 1.00 0.00 C ATOM 78 OD1 ASP A 147 10.202 4.547 3.304 1.00 0.00 O ATOM 79 OD2 ASP A 147 11.280 5.911 1.975 1.00 0.00 O ATOM 0 H ASP A 147 10.738 1.888 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 147 9.574 2.474 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 147 11.902 2.859 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 147 12.158 3.917 0.777 1.00 0.00 H new ATOM 84 N ARG A 148 9.874 3.802 -1.473 1.00 0.00 N ATOM 85 CA ARG A 148 9.235 4.678 -2.441 1.00 0.00 C ATOM 86 C ARG A 148 8.352 3.870 -3.384 1.00 0.00 C ATOM 87 O ARG A 148 7.801 4.393 -4.346 1.00 0.00 O ATOM 88 CB ARG A 148 10.270 5.477 -3.239 1.00 0.00 C ATOM 89 CG ARG A 148 11.118 4.637 -4.184 1.00 0.00 C ATOM 90 CD ARG A 148 11.985 5.514 -5.077 1.00 0.00 C ATOM 91 NE ARG A 148 11.189 6.476 -5.846 1.00 0.00 N ATOM 92 CZ ARG A 148 11.306 6.665 -7.163 1.00 0.00 C ATOM 93 NH1 ARG A 148 12.165 5.944 -7.869 1.00 0.00 N ATOM 94 NH2 ARG A 148 10.557 7.573 -7.778 1.00 0.00 N ATOM 0 H ARG A 148 10.570 3.170 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 148 8.614 5.386 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 148 9.753 6.243 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 148 10.929 5.994 -2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 148 11.752 3.964 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 148 10.470 4.014 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 148 12.709 6.051 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 148 12.552 4.884 -5.762 1.00 0.00 H new ATOM 0 HE ARG A 148 10.502 7.037 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 148 12.741 5.240 -7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 148 12.250 6.093 -8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 148 9.889 8.129 -7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 148 10.650 7.714 -8.784 1.00 0.00 H new ATOM 108 N TYR A 149 8.231 2.586 -3.097 1.00 0.00 N ATOM 109 CA TYR A 149 7.379 1.692 -3.868 1.00 0.00 C ATOM 110 C TYR A 149 6.620 0.761 -2.931 1.00 0.00 C ATOM 111 O TYR A 149 5.499 0.346 -3.219 1.00 0.00 O ATOM 112 CB TYR A 149 8.242 0.891 -4.842 1.00 0.00 C ATOM 113 CG TYR A 149 7.528 -0.244 -5.546 1.00 0.00 C ATOM 114 CD1 TYR A 149 6.863 -0.039 -6.745 1.00 0.00 C ATOM 115 CD2 TYR A 149 7.534 -1.525 -5.008 1.00 0.00 C ATOM 116 CE1 TYR A 149 6.220 -1.078 -7.389 1.00 0.00 C ATOM 117 CE2 TYR A 149 6.893 -2.569 -5.644 1.00 0.00 C ATOM 118 CZ TYR A 149 6.237 -2.343 -6.834 1.00 0.00 C ATOM 119 OH TYR A 149 5.595 -3.383 -7.474 1.00 0.00 O ATOM 0 H TYR A 149 8.719 2.132 -2.325 1.00 0.00 H new ATOM 0 HA TYR A 149 6.652 2.274 -4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 149 8.641 1.571 -5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 149 9.094 0.483 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 149 6.847 0.948 -7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 149 8.049 -1.707 -4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 149 5.706 -0.902 -8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 149 6.906 -3.558 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 149 5.704 -4.205 -6.952 1.00 0.00 H new ATOM 129 N TYR A 150 7.244 0.465 -1.795 1.00 0.00 N ATOM 130 CA TYR A 150 6.681 -0.438 -0.792 1.00 0.00 C ATOM 131 C TYR A 150 5.301 0.035 -0.327 1.00 0.00 C ATOM 132 O TYR A 150 4.465 -0.762 0.091 1.00 0.00 O ATOM 133 CB TYR A 150 7.629 -0.513 0.408 1.00 0.00 C ATOM 134 CG TYR A 150 7.389 -1.696 1.321 1.00 0.00 C ATOM 135 CD1 TYR A 150 7.785 -2.972 0.939 1.00 0.00 C ATOM 136 CD2 TYR A 150 6.772 -1.545 2.557 1.00 0.00 C ATOM 137 CE1 TYR A 150 7.571 -4.064 1.759 1.00 0.00 C ATOM 138 CE2 TYR A 150 6.556 -2.633 3.386 1.00 0.00 C ATOM 139 CZ TYR A 150 6.956 -3.891 2.980 1.00 0.00 C ATOM 140 OH TYR A 150 6.736 -4.980 3.797 1.00 0.00 O ATOM 0 H TYR A 150 8.156 0.844 -1.542 1.00 0.00 H new ATOM 0 HA TYR A 150 6.565 -1.424 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 150 8.655 -0.554 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 150 7.533 0.404 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 150 8.269 -3.113 -0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 150 6.456 -0.563 2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 150 7.884 -5.048 1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 150 6.077 -2.499 4.345 1.00 0.00 H new ATOM 0 HH TYR A 150 6.294 -4.687 4.621 1.00 0.00 H new ATOM 150 N ARG A 151 5.098 1.344 -0.402 1.00 0.00 N ATOM 151 CA ARG A 151 3.862 1.984 0.052 1.00 0.00 C ATOM 152 C ARG A 151 2.672 1.630 -0.841 1.00 0.00 C ATOM 153 O ARG A 151 1.907 0.713 -0.551 1.00 0.00 O ATOM 154 CB ARG A 151 4.034 3.504 0.044 1.00 0.00 C ATOM 155 CG ARG A 151 5.468 3.956 0.234 1.00 0.00 C ATOM 156 CD ARG A 151 5.796 5.123 -0.680 1.00 0.00 C ATOM 157 NE ARG A 151 5.668 4.769 -2.101 1.00 0.00 N ATOM 158 CZ ARG A 151 5.233 5.617 -3.037 1.00 0.00 C ATOM 159 NH1 ARG A 151 4.919 6.865 -2.711 1.00 0.00 N ATOM 160 NH2 ARG A 151 5.121 5.223 -4.298 1.00 0.00 N ATOM 0 H ARG A 151 5.785 1.997 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 151 3.662 1.620 1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 151 3.660 3.898 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 151 3.419 3.935 0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 151 5.627 4.247 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 151 6.145 3.127 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 151 5.132 5.957 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 151 6.813 5.463 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 151 5.925 3.825 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 151 5.010 7.178 -1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 151 4.587 7.511 -3.427 1.00 0.00 H new ATOM 0 HH21 ARG A 151 5.368 4.268 -4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 151 4.788 5.875 -5.008 1.00 0.00 H new ATOM 174 N GLU A 152 2.538 2.375 -1.935 1.00 0.00 N ATOM 175 CA GLU A 152 1.392 2.252 -2.824 1.00 0.00 C ATOM 176 C GLU A 152 1.818 2.528 -4.267 1.00 0.00 C ATOM 177 O GLU A 152 2.276 1.627 -4.968 1.00 0.00 O ATOM 178 CB GLU A 152 0.283 3.219 -2.370 1.00 0.00 C ATOM 179 CG GLU A 152 -0.938 3.272 -3.281 1.00 0.00 C ATOM 180 CD GLU A 152 -1.595 1.925 -3.478 1.00 0.00 C ATOM 181 OE1 GLU A 152 -2.418 1.529 -2.631 1.00 0.00 O ATOM 182 OE2 GLU A 152 -1.307 1.268 -4.499 1.00 0.00 O ATOM 0 H GLU A 152 3.218 3.077 -2.227 1.00 0.00 H new ATOM 0 HA GLU A 152 0.999 1.236 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -0.041 2.932 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 152 0.704 4.221 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -1.666 3.966 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -0.642 3.670 -4.252 1.00 0.00 H new ATOM 189 N ASN A 153 1.710 3.784 -4.687 1.00 0.00 N ATOM 190 CA ASN A 153 2.091 4.205 -6.032 1.00 0.00 C ATOM 191 C ASN A 153 2.359 5.683 -5.978 1.00 0.00 C ATOM 192 O ASN A 153 3.419 6.167 -6.367 1.00 0.00 O ATOM 193 CB ASN A 153 0.984 3.936 -7.062 1.00 0.00 C ATOM 194 CG ASN A 153 0.939 2.501 -7.553 1.00 0.00 C ATOM 195 OD1 ASN A 153 1.650 2.132 -8.487 1.00 0.00 O ATOM 196 ND2 ASN A 153 0.090 1.688 -6.947 1.00 0.00 N ATOM 0 H ASN A 153 1.355 4.541 -4.103 1.00 0.00 H new ATOM 0 HA ASN A 153 2.968 3.638 -6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 153 0.020 4.189 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 153 1.127 4.598 -7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 153 0.008 0.718 -7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -0.483 2.031 -6.176 1.00 0.00 H new ATOM 203 N MET A 154 1.372 6.392 -5.466 1.00 0.00 N ATOM 204 CA MET A 154 1.509 7.792 -5.163 1.00 0.00 C ATOM 205 C MET A 154 1.771 7.942 -3.672 1.00 0.00 C ATOM 206 O MET A 154 2.008 6.958 -2.970 1.00 0.00 O ATOM 207 CB MET A 154 0.231 8.546 -5.551 1.00 0.00 C ATOM 208 CG MET A 154 -0.157 8.389 -7.011 1.00 0.00 C ATOM 209 SD MET A 154 -1.688 9.252 -7.416 1.00 0.00 S ATOM 210 CE MET A 154 -1.924 8.736 -9.115 1.00 0.00 C ATOM 0 H MET A 154 0.453 6.007 -5.250 1.00 0.00 H new ATOM 0 HA MET A 154 2.339 8.212 -5.730 1.00 0.00 H new ATOM 0 HB2 MET A 154 -0.590 8.194 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 154 0.366 9.605 -5.333 1.00 0.00 H new ATOM 0 HG2 MET A 154 0.648 8.769 -7.640 1.00 0.00 H new ATOM 0 HG3 MET A 154 -0.269 7.330 -7.242 1.00 0.00 H new ATOM 0 HE1 MET A 154 -2.834 9.188 -9.509 1.00 0.00 H new ATOM 0 HE2 MET A 154 -1.071 9.055 -9.714 1.00 0.00 H new ATOM 0 HE3 MET A 154 -2.011 7.650 -9.157 1.00 0.00 H new ATOM 220 N ALA A 155 1.696 9.164 -3.194 1.00 0.00 N ATOM 221 CA ALA A 155 1.894 9.455 -1.781 1.00 0.00 C ATOM 222 C ALA A 155 0.555 9.407 -1.053 1.00 0.00 C ATOM 223 O ALA A 155 0.453 9.751 0.125 1.00 0.00 O ATOM 224 CB ALA A 155 2.553 10.813 -1.605 1.00 0.00 C ATOM 0 H ALA A 155 1.497 9.985 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 155 2.554 8.701 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 155 2.693 11.014 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 155 3.521 10.815 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 155 1.918 11.585 -2.040 1.00 0.00 H new ATOM 230 N ARG A 156 -0.462 8.965 -1.778 1.00 0.00 N ATOM 231 CA ARG A 156 -1.805 8.847 -1.271 1.00 0.00 C ATOM 232 C ARG A 156 -2.482 7.696 -1.985 1.00 0.00 C ATOM 233 O ARG A 156 -2.087 7.328 -3.093 1.00 0.00 O ATOM 234 CB ARG A 156 -2.585 10.158 -1.484 1.00 0.00 C ATOM 235 CG ARG A 156 -2.600 10.654 -2.929 1.00 0.00 C ATOM 236 CD ARG A 156 -3.735 10.032 -3.730 1.00 0.00 C ATOM 237 NE ARG A 156 -3.659 10.337 -5.157 1.00 0.00 N ATOM 238 CZ ARG A 156 -4.712 10.690 -5.891 1.00 0.00 C ATOM 239 NH1 ARG A 156 -5.895 10.886 -5.311 1.00 0.00 N ATOM 240 NH2 ARG A 156 -4.576 10.872 -7.198 1.00 0.00 N ATOM 0 H ARG A 156 -0.367 8.675 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 156 -1.781 8.654 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -3.613 10.013 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -2.151 10.932 -0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.700 11.739 -2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -1.648 10.417 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -3.719 8.951 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -4.687 10.389 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 156 -2.750 10.276 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -5.995 10.766 -4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -6.701 11.156 -5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -3.666 10.741 -7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -5.382 11.142 -7.762 1.00 0.00 H new ATOM 254 N TYR A 157 -3.463 7.117 -1.338 1.00 0.00 N ATOM 255 CA TYR A 157 -4.268 6.073 -1.947 1.00 0.00 C ATOM 256 C TYR A 157 -5.065 6.661 -3.102 1.00 0.00 C ATOM 257 O TYR A 157 -5.595 7.767 -2.980 1.00 0.00 O ATOM 258 CB TYR A 157 -5.209 5.452 -0.911 1.00 0.00 C ATOM 259 CG TYR A 157 -4.497 4.897 0.301 1.00 0.00 C ATOM 260 CD1 TYR A 157 -3.833 3.677 0.244 1.00 0.00 C ATOM 261 CD2 TYR A 157 -4.480 5.599 1.500 1.00 0.00 C ATOM 262 CE1 TYR A 157 -3.175 3.170 1.347 1.00 0.00 C ATOM 263 CE2 TYR A 157 -3.821 5.100 2.606 1.00 0.00 C ATOM 264 CZ TYR A 157 -3.171 3.887 2.526 1.00 0.00 C ATOM 265 OH TYR A 157 -2.511 3.389 3.625 1.00 0.00 O ATOM 0 H TYR A 157 -3.729 7.350 -0.381 1.00 0.00 H new ATOM 0 HA TYR A 157 -3.613 5.288 -2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -5.926 6.206 -0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -5.779 4.653 -1.384 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -3.832 3.116 -0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -4.990 6.549 1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -2.667 2.219 1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -3.815 5.658 3.531 1.00 0.00 H new ATOM 0 HH TYR A 157 -2.603 4.015 4.373 1.00 0.00 H new ATOM 275 N PRO A 158 -5.157 5.934 -4.231 1.00 0.00 N ATOM 276 CA PRO A 158 -5.823 6.409 -5.452 1.00 0.00 C ATOM 277 C PRO A 158 -7.189 7.030 -5.180 1.00 0.00 C ATOM 278 O PRO A 158 -7.600 7.976 -5.855 1.00 0.00 O ATOM 279 CB PRO A 158 -5.970 5.144 -6.310 1.00 0.00 C ATOM 280 CG PRO A 158 -5.556 4.004 -5.437 1.00 0.00 C ATOM 281 CD PRO A 158 -4.622 4.581 -4.418 1.00 0.00 C ATOM 0 HA PRO A 158 -5.248 7.200 -5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.998 5.021 -6.651 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.344 5.201 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -6.421 3.546 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -5.064 3.225 -6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -4.630 4.009 -3.490 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -3.592 4.597 -4.774 1.00 0.00 H new ATOM 289 N ASN A 159 -7.888 6.490 -4.195 1.00 0.00 N ATOM 290 CA ASN A 159 -9.146 7.062 -3.751 1.00 0.00 C ATOM 291 C ASN A 159 -9.292 6.902 -2.243 1.00 0.00 C ATOM 292 O ASN A 159 -9.887 5.935 -1.771 1.00 0.00 O ATOM 293 CB ASN A 159 -10.331 6.396 -4.457 1.00 0.00 C ATOM 294 CG ASN A 159 -11.668 7.015 -4.079 1.00 0.00 C ATOM 295 OD1 ASN A 159 -11.694 8.330 -3.901 1.00 0.00 O flip ATOM 296 ND2 ASN A 159 -12.679 6.318 -3.973 1.00 0.00 N flip ATOM 0 H ASN A 159 -7.603 5.653 -3.687 1.00 0.00 H new ATOM 0 HA ASN A 159 -9.143 8.122 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -10.194 6.471 -5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -10.345 5.334 -4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -12.621 5.310 -4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -13.574 6.749 -3.741 1.00 0.00 H new ATOM 303 N GLN A 160 -8.701 7.817 -1.482 1.00 0.00 N ATOM 304 CA GLN A 160 -8.896 7.818 -0.041 1.00 0.00 C ATOM 305 C GLN A 160 -10.147 8.616 0.310 1.00 0.00 C ATOM 306 O GLN A 160 -10.405 9.674 -0.270 1.00 0.00 O ATOM 307 CB GLN A 160 -7.671 8.383 0.688 1.00 0.00 C ATOM 308 CG GLN A 160 -7.402 9.857 0.414 1.00 0.00 C ATOM 309 CD GLN A 160 -6.260 10.410 1.250 1.00 0.00 C ATOM 310 OE1 GLN A 160 -6.003 9.943 2.361 1.00 0.00 O ATOM 311 NE2 GLN A 160 -5.578 11.421 0.734 1.00 0.00 N ATOM 0 H GLN A 160 -8.092 8.556 -1.834 1.00 0.00 H new ATOM 0 HA GLN A 160 -9.026 6.787 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 160 -7.805 8.244 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 160 -6.793 7.806 0.399 1.00 0.00 H new ATOM 0 HG2 GLN A 160 -7.170 9.990 -0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 160 -8.306 10.431 0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 160 -5.820 11.781 -0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 160 -4.811 11.840 1.260 1.00 0.00 H new ATOM 320 N VAL A 161 -10.927 8.105 1.248 1.00 0.00 N ATOM 321 CA VAL A 161 -12.171 8.751 1.636 1.00 0.00 C ATOM 322 C VAL A 161 -11.953 9.640 2.855 1.00 0.00 C ATOM 323 O VAL A 161 -11.042 9.404 3.653 1.00 0.00 O ATOM 324 CB VAL A 161 -13.287 7.722 1.925 1.00 0.00 C ATOM 325 CG1 VAL A 161 -13.606 6.921 0.674 1.00 0.00 C ATOM 326 CG2 VAL A 161 -12.895 6.793 3.062 1.00 0.00 C ATOM 0 H VAL A 161 -10.721 7.244 1.755 1.00 0.00 H new ATOM 0 HA VAL A 161 -12.493 9.366 0.796 1.00 0.00 H new ATOM 0 HB VAL A 161 -14.179 8.269 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -14.394 6.201 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -13.941 7.595 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -12.712 6.392 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -13.699 6.080 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -11.986 6.254 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -12.718 7.377 3.965 1.00 0.00 H new ATOM 336 N TYR A 162 -12.788 10.657 2.995 1.00 0.00 N ATOM 337 CA TYR A 162 -12.624 11.648 4.034 1.00 0.00 C ATOM 338 C TYR A 162 -13.634 11.395 5.149 1.00 0.00 C ATOM 339 O TYR A 162 -14.047 10.257 5.371 1.00 0.00 O ATOM 340 CB TYR A 162 -12.825 13.041 3.427 1.00 0.00 C ATOM 341 CG TYR A 162 -11.918 14.110 3.994 1.00 0.00 C ATOM 342 CD1 TYR A 162 -10.537 13.969 3.944 1.00 0.00 C ATOM 343 CD2 TYR A 162 -12.439 15.270 4.552 1.00 0.00 C ATOM 344 CE1 TYR A 162 -9.701 14.952 4.434 1.00 0.00 C ATOM 345 CE2 TYR A 162 -11.608 16.256 5.049 1.00 0.00 C ATOM 346 CZ TYR A 162 -10.241 16.093 4.986 1.00 0.00 C ATOM 347 OH TYR A 162 -9.411 17.075 5.467 1.00 0.00 O ATOM 0 H TYR A 162 -13.595 10.814 2.391 1.00 0.00 H new ATOM 0 HA TYR A 162 -11.622 11.585 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -12.665 12.981 2.350 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -13.861 13.343 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -10.110 13.075 3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -13.510 15.404 4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -8.629 14.827 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -12.028 17.150 5.485 1.00 0.00 H new ATOM 0 HH TYR A 162 -9.949 17.813 5.822 1.00 0.00 H new ATOM 357 N TYR A 163 -14.036 12.453 5.828 1.00 0.00 N ATOM 358 CA TYR A 163 -14.971 12.356 6.929 1.00 0.00 C ATOM 359 C TYR A 163 -16.382 12.161 6.403 1.00 0.00 C ATOM 360 O TYR A 163 -16.973 11.091 6.534 1.00 0.00 O ATOM 361 CB TYR A 163 -14.898 13.635 7.743 1.00 0.00 C ATOM 362 CG TYR A 163 -13.614 13.799 8.523 1.00 0.00 C ATOM 363 CD1 TYR A 163 -12.489 14.358 7.931 1.00 0.00 C ATOM 364 CD2 TYR A 163 -13.529 13.401 9.851 1.00 0.00 C ATOM 365 CE1 TYR A 163 -11.315 14.517 8.640 1.00 0.00 C ATOM 366 CE2 TYR A 163 -12.357 13.556 10.567 1.00 0.00 C ATOM 367 CZ TYR A 163 -11.253 14.116 9.957 1.00 0.00 C ATOM 368 OH TYR A 163 -10.083 14.281 10.663 1.00 0.00 O ATOM 0 H TYR A 163 -13.722 13.403 5.630 1.00 0.00 H new ATOM 0 HA TYR A 163 -14.713 11.501 7.554 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -15.014 14.487 7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -15.738 13.659 8.437 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -12.533 14.674 6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -14.392 12.964 10.331 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -10.449 14.954 8.165 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -12.305 13.240 11.599 1.00 0.00 H new ATOM 0 HH TYR A 163 -10.203 13.949 11.577 1.00 0.00 H new ATOM 378 N ARG A 164 -16.912 13.218 5.815 1.00 0.00 N ATOM 379 CA ARG A 164 -18.205 13.162 5.161 1.00 0.00 C ATOM 380 C ARG A 164 -18.047 12.779 3.689 1.00 0.00 C ATOM 381 O ARG A 164 -18.776 11.919 3.202 1.00 0.00 O ATOM 382 CB ARG A 164 -18.937 14.499 5.299 1.00 0.00 C ATOM 383 CG ARG A 164 -20.337 14.493 4.709 1.00 0.00 C ATOM 384 CD ARG A 164 -21.202 13.401 5.326 1.00 0.00 C ATOM 385 NE ARG A 164 -21.267 13.505 6.782 1.00 0.00 N ATOM 386 CZ ARG A 164 -21.835 12.589 7.566 1.00 0.00 C ATOM 387 NH1 ARG A 164 -22.423 11.528 7.028 1.00 0.00 N ATOM 388 NH2 ARG A 164 -21.813 12.735 8.887 1.00 0.00 N ATOM 0 H ARG A 164 -16.462 14.133 5.778 1.00 0.00 H new ATOM 0 HA ARG A 164 -18.805 12.394 5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 164 -18.999 14.762 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 164 -18.350 15.277 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 164 -20.805 15.464 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 164 -20.277 14.345 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 164 -22.209 13.461 4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 164 -20.803 12.425 5.051 1.00 0.00 H new ATOM 0 HE ARG A 164 -20.854 14.326 7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 164 -22.440 11.414 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 164 -22.858 10.827 7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 164 -21.361 13.549 9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 164 -22.248 12.033 9.485 1.00 0.00 H new ATOM 402 N PRO A 165 -17.110 13.419 2.944 1.00 0.00 N ATOM 403 CA PRO A 165 -16.803 13.008 1.571 1.00 0.00 C ATOM 404 C PRO A 165 -16.251 11.584 1.510 1.00 0.00 C ATOM 405 O PRO A 165 -15.054 11.359 1.682 1.00 0.00 O ATOM 406 CB PRO A 165 -15.748 14.016 1.103 1.00 0.00 C ATOM 407 CG PRO A 165 -15.880 15.175 2.027 1.00 0.00 C ATOM 408 CD PRO A 165 -16.318 14.600 3.343 1.00 0.00 C ATOM 0 HA PRO A 165 -17.694 13.001 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -14.747 13.588 1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -15.920 14.315 0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -14.933 15.705 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 165 -16.609 15.893 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -15.467 14.323 3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 165 -16.914 15.311 3.915 1.00 0.00 H new ATOM 416 N VAL A 166 -17.136 10.627 1.282 1.00 0.00 N ATOM 417 CA VAL A 166 -16.761 9.220 1.280 1.00 0.00 C ATOM 418 C VAL A 166 -16.907 8.600 -0.106 1.00 0.00 C ATOM 419 O VAL A 166 -16.737 7.393 -0.272 1.00 0.00 O ATOM 420 CB VAL A 166 -17.604 8.412 2.291 1.00 0.00 C ATOM 421 CG1 VAL A 166 -17.279 8.835 3.718 1.00 0.00 C ATOM 422 CG2 VAL A 166 -19.091 8.578 2.009 1.00 0.00 C ATOM 0 H VAL A 166 -18.124 10.799 1.095 1.00 0.00 H new ATOM 0 HA VAL A 166 -15.712 9.177 1.575 1.00 0.00 H new ATOM 0 HB VAL A 166 -17.352 7.358 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -17.883 8.255 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -16.222 8.658 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -17.499 9.895 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -19.665 8.000 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -19.361 9.631 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -19.313 8.222 1.003 1.00 0.00 H new ATOM 432 N CYS A 167 -17.216 9.420 -1.097 1.00 0.00 N ATOM 433 CA CYS A 167 -17.355 8.937 -2.461 1.00 0.00 C ATOM 434 C CYS A 167 -16.659 9.882 -3.434 1.00 0.00 C ATOM 435 O CYS A 167 -17.183 10.989 -3.670 1.00 0.00 O ATOM 436 CB CYS A 167 -18.836 8.760 -2.825 1.00 0.00 C ATOM 437 SG CYS A 167 -19.820 10.275 -2.724 1.00 0.00 S ATOM 438 OXT CYS A 167 -15.581 9.516 -3.954 1.00 0.00 O ATOM 0 H CYS A 167 -17.375 10.421 -0.983 1.00 0.00 H new ATOM 0 HA CYS A 167 -16.874 7.962 -2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -18.903 8.365 -3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -19.273 8.013 -2.162 1.00 0.00 H new ATOM 0 HG CYS A 167 -19.124 11.275 -3.177 1.00 0.00 H new TER 444 CYS A 167