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= -0.0996 X(o=-0.1,f=-0.42) 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= -0.326 K(o=-0.33,f=-3.3!) USER MOD Single : A 154 MET CE :methyl -133:sc= -0.423 (180deg=-1.39!) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 160 GLN : amide:sc= -0.37 K(o=-0.37,f=-0.98) 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 180:sc= -0.447 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 142 17.390 -10.003 3.789 1.00 0.00 N ATOM 2 CA GLY A 142 17.024 -8.637 3.348 1.00 0.00 C ATOM 3 C GLY A 142 15.596 -8.287 3.711 1.00 0.00 C ATOM 4 O GLY A 142 14.677 -8.465 2.906 1.00 0.00 O ATOM 0 HA2 GLY A 142 17.701 -7.915 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 142 17.154 -8.558 2.269 1.00 0.00 H new ATOM 10 N ASN A 143 15.405 -7.797 4.930 1.00 0.00 N ATOM 11 CA ASN A 143 14.082 -7.393 5.399 1.00 0.00 C ATOM 12 C ASN A 143 13.673 -6.070 4.762 1.00 0.00 C ATOM 13 O ASN A 143 12.486 -5.746 4.679 1.00 0.00 O ATOM 14 CB ASN A 143 14.051 -7.273 6.929 1.00 0.00 C ATOM 15 CG ASN A 143 15.124 -6.349 7.479 1.00 0.00 C ATOM 16 OD1 ASN A 143 16.241 -6.780 7.759 1.00 0.00 O ATOM 17 ND2 ASN A 143 14.798 -5.074 7.650 1.00 0.00 N ATOM 0 H ASN A 143 16.151 -7.669 5.614 1.00 0.00 H new ATOM 0 HA ASN A 143 13.371 -8.164 5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 143 13.072 -6.907 7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 143 14.174 -8.263 7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 143 15.484 -4.418 8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.862 -4.750 7.407 1.00 0.00 H new ATOM 24 N ASP A 144 14.663 -5.309 4.320 1.00 0.00 N ATOM 25 CA ASP A 144 14.420 -4.049 3.633 1.00 0.00 C ATOM 26 C ASP A 144 14.705 -4.205 2.143 1.00 0.00 C ATOM 27 O ASP A 144 15.847 -4.103 1.692 1.00 0.00 O ATOM 28 CB ASP A 144 15.279 -2.935 4.240 1.00 0.00 C ATOM 29 CG ASP A 144 15.139 -1.621 3.501 1.00 0.00 C ATOM 30 OD1 ASP A 144 14.031 -1.051 3.495 1.00 0.00 O ATOM 31 OD2 ASP A 144 16.149 -1.142 2.941 1.00 0.00 O ATOM 0 H ASP A 144 15.650 -5.545 4.426 1.00 0.00 H new ATOM 0 HA ASP A 144 13.373 -3.773 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 144 14.997 -2.792 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 144 16.325 -3.242 4.231 1.00 0.00 H new ATOM 36 N TYR A 145 13.659 -4.494 1.390 1.00 0.00 N ATOM 37 CA TYR A 145 13.778 -4.747 -0.032 1.00 0.00 C ATOM 38 C TYR A 145 13.480 -3.482 -0.819 1.00 0.00 C ATOM 39 O TYR A 145 14.113 -3.203 -1.842 1.00 0.00 O ATOM 40 CB TYR A 145 12.818 -5.872 -0.425 1.00 0.00 C ATOM 41 CG TYR A 145 12.886 -6.262 -1.880 1.00 0.00 C ATOM 42 CD1 TYR A 145 13.899 -7.085 -2.349 1.00 0.00 C ATOM 43 CD2 TYR A 145 11.931 -5.813 -2.779 1.00 0.00 C ATOM 44 CE1 TYR A 145 13.959 -7.452 -3.678 1.00 0.00 C ATOM 45 CE2 TYR A 145 11.983 -6.173 -4.110 1.00 0.00 C ATOM 46 CZ TYR A 145 12.998 -6.993 -4.554 1.00 0.00 C ATOM 47 OH TYR A 145 13.052 -7.356 -5.880 1.00 0.00 O ATOM 0 H TYR A 145 12.706 -4.560 1.747 1.00 0.00 H new ATOM 0 HA TYR A 145 14.798 -5.053 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 145 13.034 -6.749 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 145 11.799 -5.564 -0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 145 14.652 -7.444 -1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 145 11.134 -5.172 -2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 145 14.753 -8.094 -4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 145 11.233 -5.815 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 145 12.301 -6.949 -6.361 1.00 0.00 H new ATOM 57 N GLU A 146 12.523 -2.713 -0.331 1.00 0.00 N ATOM 58 CA GLU A 146 12.156 -1.466 -0.968 1.00 0.00 C ATOM 59 C GLU A 146 11.333 -0.599 -0.025 1.00 0.00 C ATOM 60 O GLU A 146 11.210 -0.909 1.162 1.00 0.00 O ATOM 61 CB GLU A 146 11.377 -1.720 -2.245 1.00 0.00 C ATOM 62 CG GLU A 146 10.075 -2.436 -2.025 1.00 0.00 C ATOM 63 CD GLU A 146 9.005 -1.912 -2.943 1.00 0.00 C ATOM 64 OE1 GLU A 146 8.757 -0.689 -2.888 1.00 0.00 O ATOM 65 OE2 GLU A 146 8.417 -2.701 -3.710 1.00 0.00 O ATOM 0 H GLU A 146 11.986 -2.933 0.508 1.00 0.00 H new ATOM 0 HA GLU A 146 13.076 -0.938 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 146 11.179 -0.767 -2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 146 11.994 -2.307 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 146 10.211 -3.504 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 146 9.760 -2.314 -0.989 1.00 0.00 H new ATOM 72 N ASP A 147 10.760 0.475 -0.558 1.00 0.00 N ATOM 73 CA ASP A 147 10.040 1.443 0.250 1.00 0.00 C ATOM 74 C ASP A 147 9.297 2.421 -0.641 1.00 0.00 C ATOM 75 O ASP A 147 8.240 2.933 -0.278 1.00 0.00 O ATOM 76 CB ASP A 147 11.011 2.203 1.162 1.00 0.00 C ATOM 77 CG ASP A 147 10.323 3.240 2.025 1.00 0.00 C ATOM 78 OD1 ASP A 147 9.813 2.879 3.105 1.00 0.00 O ATOM 79 OD2 ASP A 147 10.300 4.424 1.634 1.00 0.00 O ATOM 0 H ASP A 147 10.783 0.695 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 147 9.319 0.909 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 147 11.531 1.491 1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 147 11.768 2.692 0.550 1.00 0.00 H new ATOM 84 N ARG A 148 9.834 2.650 -1.833 1.00 0.00 N ATOM 85 CA ARG A 148 9.322 3.700 -2.695 1.00 0.00 C ATOM 86 C ARG A 148 8.191 3.210 -3.586 1.00 0.00 C ATOM 87 O ARG A 148 7.590 3.983 -4.335 1.00 0.00 O ATOM 88 CB ARG A 148 10.439 4.323 -3.527 1.00 0.00 C ATOM 89 CG ARG A 148 11.509 5.011 -2.689 1.00 0.00 C ATOM 90 CD ARG A 148 10.908 5.957 -1.653 1.00 0.00 C ATOM 91 NE ARG A 148 10.008 6.946 -2.253 1.00 0.00 N ATOM 92 CZ ARG A 148 9.466 7.965 -1.589 1.00 0.00 C ATOM 93 NH1 ARG A 148 9.740 8.148 -0.302 1.00 0.00 N ATOM 94 NH2 ARG A 148 8.655 8.803 -2.223 1.00 0.00 N ATOM 0 H ARG A 148 10.618 2.125 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 148 8.909 4.471 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 148 10.906 3.547 -4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 148 10.007 5.048 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 148 12.113 4.257 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 148 12.178 5.569 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 148 10.362 5.377 -0.909 1.00 0.00 H new ATOM 0 HD3 ARG A 148 11.711 6.473 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 148 9.782 6.847 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 148 10.368 7.506 0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 148 9.322 8.930 0.202 1.00 0.00 H new ATOM 0 HH21 ARG A 148 8.450 8.664 -3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 148 8.236 9.586 -1.721 1.00 0.00 H new ATOM 108 N TYR A 149 7.920 1.926 -3.521 1.00 0.00 N ATOM 109 CA TYR A 149 6.693 1.378 -4.072 1.00 0.00 C ATOM 110 C TYR A 149 5.857 0.867 -2.911 1.00 0.00 C ATOM 111 O TYR A 149 4.629 0.963 -2.901 1.00 0.00 O ATOM 112 CB TYR A 149 6.995 0.232 -5.034 1.00 0.00 C ATOM 113 CG TYR A 149 7.900 0.589 -6.195 1.00 0.00 C ATOM 114 CD1 TYR A 149 7.401 1.206 -7.333 1.00 0.00 C ATOM 115 CD2 TYR A 149 9.257 0.289 -6.155 1.00 0.00 C ATOM 116 CE1 TYR A 149 8.226 1.511 -8.400 1.00 0.00 C ATOM 117 CE2 TYR A 149 10.090 0.594 -7.214 1.00 0.00 C ATOM 118 CZ TYR A 149 9.570 1.205 -8.334 1.00 0.00 C ATOM 119 OH TYR A 149 10.394 1.500 -9.398 1.00 0.00 O ATOM 0 H TYR A 149 8.534 1.235 -3.090 1.00 0.00 H new ATOM 0 HA TYR A 149 6.159 2.148 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 149 7.454 -0.582 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 149 6.053 -0.146 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 149 6.351 1.452 -7.386 1.00 0.00 H new ATOM 0 HD2 TYR A 149 9.668 -0.192 -5.279 1.00 0.00 H new ATOM 0 HE1 TYR A 149 7.820 1.986 -9.281 1.00 0.00 H new ATOM 0 HE2 TYR A 149 11.142 0.355 -7.164 1.00 0.00 H new ATOM 0 HH TYR A 149 11.310 1.221 -9.189 1.00 0.00 H new ATOM 129 N TYR A 150 6.576 0.338 -1.924 1.00 0.00 N ATOM 130 CA TYR A 150 6.014 -0.156 -0.674 1.00 0.00 C ATOM 131 C TYR A 150 5.131 0.892 0.002 1.00 0.00 C ATOM 132 O TYR A 150 4.225 0.558 0.766 1.00 0.00 O ATOM 133 CB TYR A 150 7.160 -0.551 0.259 1.00 0.00 C ATOM 134 CG TYR A 150 6.745 -1.358 1.469 1.00 0.00 C ATOM 135 CD1 TYR A 150 6.463 -2.715 1.357 1.00 0.00 C ATOM 136 CD2 TYR A 150 6.651 -0.771 2.724 1.00 0.00 C ATOM 137 CE1 TYR A 150 6.098 -3.462 2.462 1.00 0.00 C ATOM 138 CE2 TYR A 150 6.291 -1.513 3.835 1.00 0.00 C ATOM 139 CZ TYR A 150 6.015 -2.858 3.699 1.00 0.00 C ATOM 140 OH TYR A 150 5.663 -3.605 4.802 1.00 0.00 O ATOM 0 H TYR A 150 7.590 0.240 -1.975 1.00 0.00 H new ATOM 0 HA TYR A 150 5.386 -1.020 -0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 150 7.891 -1.126 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 150 7.661 0.355 0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 150 6.530 -3.193 0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 150 6.862 0.282 2.835 1.00 0.00 H new ATOM 0 HE1 TYR A 150 5.879 -4.514 2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 150 6.226 -1.041 4.804 1.00 0.00 H new ATOM 0 HH TYR A 150 5.651 -3.031 5.596 1.00 0.00 H new ATOM 150 N ARG A 151 5.418 2.159 -0.284 1.00 0.00 N ATOM 151 CA ARG A 151 4.646 3.280 0.246 1.00 0.00 C ATOM 152 C ARG A 151 3.150 3.161 -0.062 1.00 0.00 C ATOM 153 O ARG A 151 2.326 3.777 0.617 1.00 0.00 O ATOM 154 CB ARG A 151 5.212 4.614 -0.271 1.00 0.00 C ATOM 155 CG ARG A 151 5.650 4.601 -1.731 1.00 0.00 C ATOM 156 CD ARG A 151 4.475 4.629 -2.692 1.00 0.00 C ATOM 157 NE ARG A 151 4.906 4.518 -4.085 1.00 0.00 N ATOM 158 CZ ARG A 151 4.242 5.048 -5.110 1.00 0.00 C ATOM 159 NH1 ARG A 151 3.131 5.740 -4.891 1.00 0.00 N ATOM 160 NH2 ARG A 151 4.692 4.895 -6.351 1.00 0.00 N ATOM 0 H ARG A 151 6.191 2.438 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 151 4.743 3.254 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 151 4.456 5.388 -0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 151 6.065 4.894 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 151 6.292 5.461 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 151 6.248 3.709 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 151 3.794 3.811 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 151 3.918 5.556 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 151 5.765 4.005 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 151 2.787 5.865 -3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 151 2.621 6.147 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 151 5.550 4.370 -6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 151 4.180 5.303 -7.133 1.00 0.00 H new ATOM 174 N GLU A 152 2.793 2.370 -1.072 1.00 0.00 N ATOM 175 CA GLU A 152 1.389 2.104 -1.358 1.00 0.00 C ATOM 176 C GLU A 152 0.935 0.867 -0.604 1.00 0.00 C ATOM 177 O GLU A 152 0.472 -0.106 -1.200 1.00 0.00 O ATOM 178 CB GLU A 152 1.122 1.909 -2.855 1.00 0.00 C ATOM 179 CG GLU A 152 1.496 3.102 -3.715 1.00 0.00 C ATOM 180 CD GLU A 152 1.023 2.952 -5.146 1.00 0.00 C ATOM 181 OE1 GLU A 152 1.553 2.075 -5.863 1.00 0.00 O ATOM 182 OE2 GLU A 152 0.122 3.715 -5.564 1.00 0.00 O ATOM 0 H GLU A 152 3.451 1.907 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 152 0.825 2.978 -1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 152 1.678 1.038 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 152 0.064 1.690 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 152 1.064 4.006 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 152 2.578 3.229 -3.704 1.00 0.00 H new ATOM 189 N ASN A 153 1.107 0.894 0.708 1.00 0.00 N ATOM 190 CA ASN A 153 0.602 -0.172 1.550 1.00 0.00 C ATOM 191 C ASN A 153 -0.911 -0.091 1.534 1.00 0.00 C ATOM 192 O ASN A 153 -1.496 0.824 2.116 1.00 0.00 O ATOM 193 CB ASN A 153 1.140 -0.045 2.982 1.00 0.00 C ATOM 194 CG ASN A 153 0.798 -1.241 3.860 1.00 0.00 C ATOM 195 OD1 ASN A 153 -0.200 -1.933 3.651 1.00 0.00 O ATOM 196 ND2 ASN A 153 1.627 -1.490 4.863 1.00 0.00 N ATOM 0 H ASN A 153 1.590 1.640 1.209 1.00 0.00 H new ATOM 0 HA ASN A 153 0.934 -1.139 1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 153 2.223 0.074 2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 153 0.735 0.859 3.437 1.00 0.00 H new ATOM 0 HD21 ASN A 153 1.448 -2.274 5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 153 2.444 -0.897 5.008 1.00 0.00 H new ATOM 203 N MET A 154 -1.534 -1.023 0.829 1.00 0.00 N ATOM 204 CA MET A 154 -2.963 -0.971 0.602 1.00 0.00 C ATOM 205 C MET A 154 -3.716 -1.309 1.882 1.00 0.00 C ATOM 206 O MET A 154 -4.159 -2.441 2.080 1.00 0.00 O ATOM 207 CB MET A 154 -3.362 -1.919 -0.533 1.00 0.00 C ATOM 208 CG MET A 154 -2.559 -1.708 -1.815 1.00 0.00 C ATOM 209 SD MET A 154 -3.073 -2.796 -3.160 1.00 0.00 S ATOM 210 CE MET A 154 -4.646 -2.067 -3.608 1.00 0.00 C ATOM 0 H MET A 154 -1.068 -1.825 0.405 1.00 0.00 H new ATOM 0 HA MET A 154 -3.231 0.043 0.306 1.00 0.00 H new ATOM 0 HB2 MET A 154 -3.233 -2.948 -0.198 1.00 0.00 H new ATOM 0 HB3 MET A 154 -4.422 -1.786 -0.751 1.00 0.00 H new ATOM 0 HG2 MET A 154 -2.662 -0.671 -2.135 1.00 0.00 H new ATOM 0 HG3 MET A 154 -1.502 -1.873 -1.606 1.00 0.00 H new ATOM 0 HE1 MET A 154 -5.397 -2.851 -3.703 1.00 0.00 H new ATOM 0 HE2 MET A 154 -4.953 -1.362 -2.836 1.00 0.00 H new ATOM 0 HE3 MET A 154 -4.547 -1.543 -4.559 1.00 0.00 H new ATOM 220 N ALA A 155 -3.807 -0.335 2.767 1.00 0.00 N ATOM 221 CA ALA A 155 -4.499 -0.502 4.028 1.00 0.00 C ATOM 222 C ALA A 155 -5.974 -0.182 3.866 1.00 0.00 C ATOM 223 O ALA A 155 -6.438 0.900 4.230 1.00 0.00 O ATOM 224 CB ALA A 155 -3.869 0.370 5.105 1.00 0.00 C ATOM 0 H ALA A 155 -3.404 0.592 2.631 1.00 0.00 H new ATOM 0 HA ALA A 155 -4.407 -1.542 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -4.403 0.230 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -2.824 0.088 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -3.928 1.417 4.806 1.00 0.00 H new ATOM 230 N ARG A 156 -6.705 -1.128 3.295 1.00 0.00 N ATOM 231 CA ARG A 156 -8.137 -0.963 3.071 1.00 0.00 C ATOM 232 C ARG A 156 -8.931 -1.380 4.305 1.00 0.00 C ATOM 233 O ARG A 156 -10.151 -1.490 4.261 1.00 0.00 O ATOM 234 CB ARG A 156 -8.611 -1.771 1.852 1.00 0.00 C ATOM 235 CG ARG A 156 -8.561 -3.282 2.040 1.00 0.00 C ATOM 236 CD ARG A 156 -7.151 -3.823 1.893 1.00 0.00 C ATOM 237 NE ARG A 156 -6.645 -3.661 0.535 1.00 0.00 N ATOM 238 CZ ARG A 156 -6.008 -4.617 -0.134 1.00 0.00 C ATOM 239 NH1 ARG A 156 -5.764 -5.792 0.440 1.00 0.00 N ATOM 240 NH2 ARG A 156 -5.616 -4.393 -1.380 1.00 0.00 N ATOM 0 H ARG A 156 -6.330 -2.022 2.977 1.00 0.00 H new ATOM 0 HA ARG A 156 -8.314 0.094 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -9.634 -1.480 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -7.996 -1.504 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -8.947 -3.538 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -9.212 -3.761 1.308 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -6.490 -3.308 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -7.138 -4.879 2.162 1.00 0.00 H new ATOM 0 HE ARG A 156 -6.788 -2.763 0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -6.066 -5.964 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -5.275 -6.521 -0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -5.804 -3.492 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -5.127 -5.122 -1.900 1.00 0.00 H new ATOM 254 N TYR A 157 -8.228 -1.605 5.406 1.00 0.00 N ATOM 255 CA TYR A 157 -8.870 -2.002 6.650 1.00 0.00 C ATOM 256 C TYR A 157 -9.832 -0.912 7.154 1.00 0.00 C ATOM 257 O TYR A 157 -11.012 -1.187 7.375 1.00 0.00 O ATOM 258 CB TYR A 157 -7.819 -2.343 7.717 1.00 0.00 C ATOM 259 CG TYR A 157 -8.409 -2.754 9.049 1.00 0.00 C ATOM 260 CD1 TYR A 157 -8.814 -4.062 9.274 1.00 0.00 C ATOM 261 CD2 TYR A 157 -8.563 -1.833 10.078 1.00 0.00 C ATOM 262 CE1 TYR A 157 -9.353 -4.442 10.486 1.00 0.00 C ATOM 263 CE2 TYR A 157 -9.102 -2.207 11.295 1.00 0.00 C ATOM 264 CZ TYR A 157 -9.497 -3.512 11.494 1.00 0.00 C ATOM 265 OH TYR A 157 -10.033 -3.889 12.706 1.00 0.00 O ATOM 0 H TYR A 157 -7.213 -1.519 5.463 1.00 0.00 H new ATOM 0 HA TYR A 157 -9.460 -2.897 6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -7.187 -3.150 7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -7.174 -1.477 7.868 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -8.706 -4.794 8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -8.257 -0.809 9.925 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -9.661 -5.465 10.645 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -9.213 -1.480 12.086 1.00 0.00 H new ATOM 0 HH TYR A 157 -10.064 -3.114 13.305 1.00 0.00 H new ATOM 275 N PRO A 158 -9.360 0.344 7.347 1.00 0.00 N ATOM 276 CA PRO A 158 -10.207 1.439 7.816 1.00 0.00 C ATOM 277 C PRO A 158 -10.950 2.138 6.676 1.00 0.00 C ATOM 278 O PRO A 158 -11.919 2.862 6.907 1.00 0.00 O ATOM 279 CB PRO A 158 -9.215 2.412 8.476 1.00 0.00 C ATOM 280 CG PRO A 158 -7.850 1.829 8.264 1.00 0.00 C ATOM 281 CD PRO A 158 -7.982 0.810 7.169 1.00 0.00 C ATOM 0 HA PRO A 158 -10.986 1.080 8.488 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -9.288 3.404 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -9.429 2.524 9.539 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -7.136 2.605 7.987 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.480 1.368 9.179 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -7.824 1.248 6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -7.261 -0.000 7.277 1.00 0.00 H new ATOM 289 N ASN A 159 -10.495 1.916 5.449 1.00 0.00 N ATOM 290 CA ASN A 159 -11.097 2.553 4.283 1.00 0.00 C ATOM 291 C ASN A 159 -10.938 1.674 3.056 1.00 0.00 C ATOM 292 O ASN A 159 -9.826 1.478 2.561 1.00 0.00 O ATOM 293 CB ASN A 159 -10.465 3.925 4.028 1.00 0.00 C ATOM 294 CG ASN A 159 -10.988 4.597 2.768 1.00 0.00 C ATOM 295 OD1 ASN A 159 -10.400 4.479 1.691 1.00 0.00 O ATOM 296 ND2 ASN A 159 -12.095 5.308 2.893 1.00 0.00 N ATOM 0 H ASN A 159 -9.711 1.300 5.235 1.00 0.00 H new ATOM 0 HA ASN A 159 -12.160 2.690 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -10.657 4.572 4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -9.384 3.812 3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -12.491 5.782 2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -12.554 5.382 3.801 1.00 0.00 H new ATOM 303 N GLN A 160 -12.051 1.151 2.569 1.00 0.00 N ATOM 304 CA GLN A 160 -12.036 0.265 1.418 1.00 0.00 C ATOM 305 C GLN A 160 -13.103 0.689 0.418 1.00 0.00 C ATOM 306 O GLN A 160 -13.918 1.569 0.704 1.00 0.00 O ATOM 307 CB GLN A 160 -12.259 -1.196 1.843 1.00 0.00 C ATOM 308 CG GLN A 160 -13.684 -1.521 2.289 1.00 0.00 C ATOM 309 CD GLN A 160 -14.054 -0.926 3.638 1.00 0.00 C ATOM 310 OE1 GLN A 160 -13.208 -0.756 4.517 1.00 0.00 O ATOM 311 NE2 GLN A 160 -15.327 -0.613 3.817 1.00 0.00 N ATOM 0 H GLN A 160 -12.979 1.326 2.955 1.00 0.00 H new ATOM 0 HA GLN A 160 -11.056 0.336 0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 160 -11.997 -1.847 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 160 -11.575 -1.431 2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 160 -14.383 -1.155 1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 160 -13.803 -2.604 2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 160 -16.001 -0.767 3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 160 -15.635 -0.217 4.705 1.00 0.00 H new ATOM 320 N VAL A 161 -13.099 0.062 -0.751 1.00 0.00 N ATOM 321 CA VAL A 161 -14.092 0.354 -1.770 1.00 0.00 C ATOM 322 C VAL A 161 -14.961 -0.870 -2.033 1.00 0.00 C ATOM 323 O VAL A 161 -14.459 -1.937 -2.392 1.00 0.00 O ATOM 324 CB VAL A 161 -13.449 0.839 -3.093 1.00 0.00 C ATOM 325 CG1 VAL A 161 -12.847 2.222 -2.914 1.00 0.00 C ATOM 326 CG2 VAL A 161 -12.385 -0.134 -3.583 1.00 0.00 C ATOM 0 H VAL A 161 -12.419 -0.651 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 161 -14.712 1.165 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 161 -14.236 0.887 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -12.399 2.548 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -13.628 2.924 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -12.081 2.188 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -11.954 0.236 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -11.601 -0.225 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -12.837 -1.111 -3.756 1.00 0.00 H new ATOM 336 N TYR A 162 -16.261 -0.716 -1.833 1.00 0.00 N ATOM 337 CA TYR A 162 -17.198 -1.821 -1.994 1.00 0.00 C ATOM 338 C TYR A 162 -17.263 -2.278 -3.447 1.00 0.00 C ATOM 339 O TYR A 162 -16.946 -3.427 -3.766 1.00 0.00 O ATOM 340 CB TYR A 162 -18.583 -1.397 -1.498 1.00 0.00 C ATOM 341 CG TYR A 162 -19.661 -2.439 -1.706 1.00 0.00 C ATOM 342 CD1 TYR A 162 -19.621 -3.658 -1.039 1.00 0.00 C ATOM 343 CD2 TYR A 162 -20.722 -2.198 -2.570 1.00 0.00 C ATOM 344 CE1 TYR A 162 -20.610 -4.606 -1.228 1.00 0.00 C ATOM 345 CE2 TYR A 162 -21.715 -3.139 -2.762 1.00 0.00 C ATOM 346 CZ TYR A 162 -21.654 -4.340 -2.091 1.00 0.00 C ATOM 347 OH TYR A 162 -22.645 -5.278 -2.281 1.00 0.00 O ATOM 0 H TYR A 162 -16.694 0.166 -1.558 1.00 0.00 H new ATOM 0 HA TYR A 162 -16.849 -2.665 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -18.520 -1.162 -0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -18.875 -0.480 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -18.805 -3.868 -0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -20.771 -1.259 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -20.566 -5.549 -0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -22.535 -2.934 -3.435 1.00 0.00 H new ATOM 0 HH TYR A 162 -23.304 -4.933 -2.918 1.00 0.00 H new ATOM 357 N TYR A 163 -17.664 -1.367 -4.321 1.00 0.00 N ATOM 358 CA TYR A 163 -17.754 -1.647 -5.747 1.00 0.00 C ATOM 359 C TYR A 163 -17.929 -0.338 -6.506 1.00 0.00 C ATOM 360 O TYR A 163 -16.953 0.289 -6.916 1.00 0.00 O ATOM 361 CB TYR A 163 -18.915 -2.603 -6.034 1.00 0.00 C ATOM 362 CG TYR A 163 -18.965 -3.102 -7.463 1.00 0.00 C ATOM 363 CD1 TYR A 163 -18.002 -3.980 -7.943 1.00 0.00 C ATOM 364 CD2 TYR A 163 -19.975 -2.697 -8.326 1.00 0.00 C ATOM 365 CE1 TYR A 163 -18.044 -4.439 -9.244 1.00 0.00 C ATOM 366 CE2 TYR A 163 -20.023 -3.153 -9.628 1.00 0.00 C ATOM 367 CZ TYR A 163 -19.057 -4.022 -10.082 1.00 0.00 C ATOM 368 OH TYR A 163 -19.099 -4.480 -11.380 1.00 0.00 O ATOM 0 H TYR A 163 -17.935 -0.418 -4.064 1.00 0.00 H new ATOM 0 HA TYR A 163 -16.836 -2.131 -6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -18.841 -3.459 -5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -19.853 -2.098 -5.804 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -17.208 -4.309 -7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -20.734 -2.015 -7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -17.288 -5.121 -9.604 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -20.815 -2.829 -10.287 1.00 0.00 H new ATOM 0 HH TYR A 163 -19.874 -4.094 -11.838 1.00 0.00 H new ATOM 378 N ARG A 164 -19.174 0.080 -6.672 1.00 0.00 N ATOM 379 CA ARG A 164 -19.463 1.405 -7.187 1.00 0.00 C ATOM 380 C ARG A 164 -19.492 2.401 -6.027 1.00 0.00 C ATOM 381 O ARG A 164 -18.862 3.455 -6.104 1.00 0.00 O ATOM 382 CB ARG A 164 -20.777 1.431 -7.973 1.00 0.00 C ATOM 383 CG ARG A 164 -21.114 2.799 -8.538 1.00 0.00 C ATOM 384 CD ARG A 164 -22.379 2.762 -9.380 1.00 0.00 C ATOM 385 NE ARG A 164 -22.221 1.935 -10.579 1.00 0.00 N ATOM 386 CZ ARG A 164 -23.155 1.803 -11.518 1.00 0.00 C ATOM 387 NH1 ARG A 164 -24.308 2.457 -11.413 1.00 0.00 N ATOM 388 NH2 ARG A 164 -22.925 1.031 -12.576 1.00 0.00 N ATOM 0 H ARG A 164 -19.999 -0.480 -6.457 1.00 0.00 H new ATOM 0 HA ARG A 164 -18.675 1.690 -7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 164 -20.717 0.713 -8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 164 -21.588 1.105 -7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 164 -21.241 3.509 -7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 164 -20.283 3.157 -9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 164 -23.202 2.375 -8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 164 -22.648 3.777 -9.673 1.00 0.00 H new ATOM 0 HE ARG A 164 -21.343 1.430 -10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 164 -24.479 3.063 -10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 164 -25.021 2.353 -12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 164 -22.035 0.542 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 164 -23.639 0.928 -13.297 1.00 0.00 H new ATOM 402 N PRO A 165 -20.222 2.091 -4.925 1.00 0.00 N ATOM 403 CA PRO A 165 -20.118 2.864 -3.686 1.00 0.00 C ATOM 404 C PRO A 165 -18.693 2.835 -3.142 1.00 0.00 C ATOM 405 O PRO A 165 -18.174 1.776 -2.768 1.00 0.00 O ATOM 406 CB PRO A 165 -21.076 2.155 -2.720 1.00 0.00 C ATOM 407 CG PRO A 165 -22.020 1.411 -3.595 1.00 0.00 C ATOM 408 CD PRO A 165 -21.224 1.009 -4.802 1.00 0.00 C ATOM 0 HA PRO A 165 -20.367 3.915 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -20.538 1.480 -2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -21.603 2.871 -2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -22.423 0.537 -3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 165 -22.868 2.035 -3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -20.751 0.036 -4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 165 -21.850 0.938 -5.691 1.00 0.00 H new ATOM 416 N VAL A 166 -18.056 3.990 -3.135 1.00 0.00 N ATOM 417 CA VAL A 166 -16.679 4.102 -2.686 1.00 0.00 C ATOM 418 C VAL A 166 -16.593 4.876 -1.377 1.00 0.00 C ATOM 419 O VAL A 166 -15.630 4.739 -0.623 1.00 0.00 O ATOM 420 CB VAL A 166 -15.798 4.786 -3.751 1.00 0.00 C ATOM 421 CG1 VAL A 166 -15.621 3.877 -4.958 1.00 0.00 C ATOM 422 CG2 VAL A 166 -16.396 6.120 -4.169 1.00 0.00 C ATOM 0 H VAL A 166 -18.473 4.871 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 166 -16.308 3.090 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 166 -14.817 4.975 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -14.997 4.375 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -15.144 2.948 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -16.596 3.656 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -15.758 6.585 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -17.390 5.958 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -16.469 6.774 -3.300 1.00 0.00 H new ATOM 432 N CYS A 167 -17.614 5.675 -1.110 1.00 0.00 N ATOM 433 CA CYS A 167 -17.665 6.475 0.100 1.00 0.00 C ATOM 434 C CYS A 167 -18.773 5.956 1.007 1.00 0.00 C ATOM 435 O CYS A 167 -19.961 6.226 0.714 1.00 0.00 O ATOM 436 CB CYS A 167 -17.900 7.950 -0.244 1.00 0.00 C ATOM 437 SG CYS A 167 -16.624 8.673 -1.304 1.00 0.00 S ATOM 438 OXT CYS A 167 -18.455 5.258 1.992 1.00 0.00 O ATOM 0 H CYS A 167 -18.423 5.786 -1.721 1.00 0.00 H new ATOM 0 HA CYS A 167 -16.711 6.396 0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -18.866 8.047 -0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -17.957 8.523 0.681 1.00 0.00 H new ATOM 0 HG CYS A 167 -16.911 9.919 -1.541 1.00 0.00 H new TER 444 CYS A 167