USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 172 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 135 SER OG : rot 126:sc= 1.13 USER MOD Single : A 140 HIS : no HE2:sc= 0.497 K(o=0.5,f=-5.3!) USER MOD Single : A 143 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 145 TYR OH : rot 3:sc= 1.26 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= 0.86 K(o=0.86,f=-6.7!) USER MOD Single : A 154 MET CE :methyl 178:sc= 0 (180deg=-0.0016) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 0.712 -2.490 2.599 1.00 1.00 N ATOM 2 CA SER A 135 0.985 -1.096 2.288 1.00 1.00 C ATOM 3 C SER A 135 2.369 -0.936 1.656 1.00 1.00 C ATOM 4 O SER A 135 3.295 -1.675 1.986 1.00 1.00 O ATOM 5 CB SER A 135 0.958 -0.353 3.625 1.00 1.00 C ATOM 6 OG SER A 135 0.972 1.061 3.450 1.00 1.00 O ATOM 0 HA SER A 135 0.252 -0.710 1.580 1.00 1.00 H new ATOM 0 HB2 SER A 135 0.066 -0.641 4.182 1.00 1.00 H new ATOM 0 HB3 SER A 135 1.818 -0.653 4.224 1.00 1.00 H new ATOM 0 HG SER A 135 0.217 1.458 3.933 1.00 1.00 H new ATOM 14 N ARG A 136 2.466 0.034 0.759 1.00 1.00 N ATOM 15 CA ARG A 136 3.712 0.280 0.054 1.00 1.00 C ATOM 16 C ARG A 136 3.967 1.784 -0.066 1.00 1.00 C ATOM 17 O ARG A 136 3.094 2.531 -0.505 1.00 1.00 O ATOM 18 CB ARG A 136 3.685 -0.339 -1.345 1.00 1.00 C ATOM 19 CG ARG A 136 5.082 -0.351 -1.967 1.00 1.00 C ATOM 20 CD ARG A 136 5.168 -1.372 -3.104 1.00 1.00 C ATOM 21 NE ARG A 136 5.231 -2.743 -2.549 1.00 1.00 N ATOM 22 CZ ARG A 136 4.662 -3.812 -3.123 1.00 1.00 C ATOM 23 NH1 ARG A 136 4.072 -3.694 -4.320 1.00 1.00 N ATOM 24 NH2 ARG A 136 4.684 -4.998 -2.501 1.00 1.00 N ATOM 0 H ARG A 136 1.701 0.659 0.504 1.00 1.00 H new ATOM 0 HA ARG A 136 4.514 -0.183 0.628 1.00 1.00 H new ATOM 0 HB2 ARG A 136 3.300 -1.357 -1.289 1.00 1.00 H new ATOM 0 HB3 ARG A 136 3.004 0.225 -1.983 1.00 1.00 H new ATOM 0 HG2 ARG A 136 5.324 0.642 -2.346 1.00 1.00 H new ATOM 0 HG3 ARG A 136 5.822 -0.589 -1.203 1.00 1.00 H new ATOM 0 HD2 ARG A 136 4.301 -1.275 -3.758 1.00 1.00 H new ATOM 0 HD3 ARG A 136 6.050 -1.177 -3.714 1.00 1.00 H new ATOM 0 HE ARG A 136 5.739 -2.883 -1.676 1.00 1.00 H new ATOM 0 HH11 ARG A 136 4.056 -2.791 -4.794 1.00 1.00 H new ATOM 0 HH12 ARG A 136 3.639 -4.507 -4.757 1.00 1.00 H new ATOM 0 HH21 ARG A 136 5.134 -5.088 -1.590 1.00 1.00 H new ATOM 0 HH22 ARG A 136 4.251 -5.811 -2.938 1.00 1.00 H new ATOM 38 N PRO A 137 5.198 2.193 0.340 1.00 1.00 N ATOM 39 CA PRO A 137 5.634 3.565 0.144 1.00 1.00 C ATOM 40 C PRO A 137 5.995 3.823 -1.319 1.00 1.00 C ATOM 41 O PRO A 137 6.995 3.307 -1.816 1.00 1.00 O ATOM 42 CB PRO A 137 6.813 3.741 1.087 1.00 1.00 C ATOM 43 CG PRO A 137 7.286 2.338 1.429 1.00 1.00 C ATOM 44 CD PRO A 137 6.205 1.362 0.995 1.00 1.00 C ATOM 0 HA PRO A 137 4.851 4.291 0.366 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.609 4.317 0.614 1.00 1.00 H new ATOM 0 HB3 PRO A 137 6.517 4.283 1.985 1.00 1.00 H new ATOM 0 HG2 PRO A 137 8.225 2.118 0.921 1.00 1.00 H new ATOM 0 HG3 PRO A 137 7.473 2.249 2.499 1.00 1.00 H new ATOM 0 HD2 PRO A 137 6.601 0.609 0.314 1.00 1.00 H new ATOM 0 HD3 PRO A 137 5.785 0.830 1.849 1.00 1.00 H new ATOM 52 N LEU A 138 5.159 4.619 -1.970 1.00 1.00 N ATOM 53 CA LEU A 138 5.411 5.002 -3.349 1.00 1.00 C ATOM 54 C LEU A 138 5.438 6.528 -3.453 1.00 1.00 C ATOM 55 O LEU A 138 5.218 7.085 -4.528 1.00 1.00 O ATOM 56 CB LEU A 138 4.396 4.340 -4.283 1.00 1.00 C ATOM 57 CG LEU A 138 4.372 2.810 -4.271 1.00 1.00 C ATOM 58 CD1 LEU A 138 3.118 2.275 -4.965 1.00 1.00 C ATOM 59 CD2 LEU A 138 5.653 2.237 -4.882 1.00 1.00 C ATOM 0 H LEU A 138 4.307 5.009 -1.568 1.00 1.00 H new ATOM 0 HA LEU A 138 6.388 4.643 -3.672 1.00 1.00 H new ATOM 0 HB2 LEU A 138 3.402 4.701 -4.021 1.00 1.00 H new ATOM 0 HB3 LEU A 138 4.598 4.673 -5.301 1.00 1.00 H new ATOM 0 HG LEU A 138 4.332 2.478 -3.234 1.00 1.00 H new ATOM 0 HD11 LEU A 138 3.126 1.185 -4.942 1.00 1.00 H new ATOM 0 HD12 LEU A 138 2.231 2.642 -4.448 1.00 1.00 H new ATOM 0 HD13 LEU A 138 3.101 2.616 -6.000 1.00 1.00 H new ATOM 0 HD21 LEU A 138 5.610 1.148 -4.861 1.00 1.00 H new ATOM 0 HD22 LEU A 138 5.748 2.577 -5.913 1.00 1.00 H new ATOM 0 HD23 LEU A 138 6.514 2.577 -4.307 1.00 1.00 H new ATOM 71 N ILE A 139 5.711 7.162 -2.322 1.00 1.00 N ATOM 72 CA ILE A 139 4.765 8.101 -1.743 1.00 1.00 C ATOM 73 C ILE A 139 3.342 7.574 -1.946 1.00 1.00 C ATOM 74 O ILE A 139 2.955 7.235 -3.062 1.00 1.00 O ATOM 75 CB ILE A 139 4.986 9.504 -2.310 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.476 9.855 -2.337 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.168 10.543 -1.541 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.081 9.784 -0.933 1.00 1.00 C ATOM 0 H ILE A 139 6.574 7.044 -1.791 1.00 1.00 H new ATOM 0 HA ILE A 139 4.925 8.188 -0.668 1.00 1.00 H new ATOM 0 HB ILE A 139 4.632 9.515 -3.341 1.00 1.00 H new ATOM 0 HG12 ILE A 139 7.003 9.168 -2.999 1.00 1.00 H new ATOM 0 HG13 ILE A 139 6.610 10.857 -2.745 1.00 1.00 H new ATOM 0 HG21 ILE A 139 4.344 11.531 -1.965 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.108 10.300 -1.616 1.00 1.00 H new ATOM 0 HG23 ILE A 139 4.468 10.539 -0.493 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.140 10.038 -0.980 1.00 1.00 H new ATOM 0 HD12 ILE A 139 6.568 10.489 -0.279 1.00 1.00 H new ATOM 0 HD13 ILE A 139 6.967 8.774 -0.538 1.00 1.00 H new ATOM 90 N HIS A 140 2.603 7.522 -0.847 1.00 1.00 N ATOM 91 CA HIS A 140 1.231 7.045 -0.891 1.00 1.00 C ATOM 92 C HIS A 140 0.358 7.908 0.023 1.00 1.00 C ATOM 93 O HIS A 140 -0.609 7.421 0.605 1.00 1.00 O ATOM 94 CB HIS A 140 1.162 5.556 -0.542 1.00 1.00 C ATOM 95 CG HIS A 140 1.258 5.267 0.936 1.00 1.00 C ATOM 96 ND1 HIS A 140 0.522 4.270 1.554 1.00 1.00 N ATOM 97 CD2 HIS A 140 2.010 5.851 1.912 1.00 1.00 C ATOM 98 CE1 HIS A 140 0.826 4.265 2.844 1.00 1.00 C ATOM 99 NE2 HIS A 140 1.748 5.245 3.064 1.00 1.00 N ATOM 0 H HIS A 140 2.928 7.802 0.078 1.00 1.00 H new ATOM 0 HA HIS A 140 0.842 7.140 -1.905 1.00 1.00 H new ATOM 0 HB2 HIS A 140 0.225 5.147 -0.922 1.00 1.00 H new ATOM 0 HB3 HIS A 140 1.969 5.035 -1.057 1.00 1.00 H new ATOM 0 HD1 HIS A 140 -0.141 3.646 1.095 1.00 1.00 H new ATOM 0 HD2 HIS A 140 2.702 6.668 1.772 1.00 1.00 H new ATOM 0 HE1 HIS A 140 0.415 3.601 3.590 1.00 1.00 H new ATOM 108 N PHE A 141 0.732 9.176 0.119 1.00 1.00 N ATOM 109 CA PHE A 141 -0.206 10.201 0.547 1.00 1.00 C ATOM 110 C PHE A 141 -1.640 9.826 0.168 1.00 1.00 C ATOM 111 O PHE A 141 -1.922 9.531 -0.992 1.00 1.00 O ATOM 112 CB PHE A 141 0.181 11.491 -0.179 1.00 1.00 C ATOM 113 CG PHE A 141 1.112 12.402 0.623 1.00 1.00 C ATOM 114 CD1 PHE A 141 2.193 11.878 1.261 1.00 1.00 C ATOM 115 CD2 PHE A 141 0.859 13.737 0.698 1.00 1.00 C ATOM 116 CE1 PHE A 141 3.056 12.724 2.006 1.00 1.00 C ATOM 117 CE2 PHE A 141 1.723 14.582 1.443 1.00 1.00 C ATOM 118 CZ PHE A 141 2.803 14.058 2.081 1.00 1.00 C ATOM 0 H PHE A 141 1.670 9.517 -0.092 1.00 1.00 H new ATOM 0 HA PHE A 141 -0.164 10.315 1.630 1.00 1.00 H new ATOM 0 HB2 PHE A 141 0.664 11.234 -1.122 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -0.726 12.043 -0.426 1.00 1.00 H new ATOM 0 HD1 PHE A 141 2.395 10.819 1.201 1.00 1.00 H new ATOM 0 HD2 PHE A 141 0.001 14.154 0.191 1.00 1.00 H new ATOM 0 HE1 PHE A 141 3.914 12.308 2.513 1.00 1.00 H new ATOM 0 HE2 PHE A 141 1.522 15.641 1.503 1.00 1.00 H new ATOM 0 HZ PHE A 141 3.460 14.701 2.647 1.00 1.00 H new ATOM 128 N GLY A 142 -2.507 9.850 1.169 1.00 1.00 N ATOM 129 CA GLY A 142 -2.104 9.493 2.518 1.00 1.00 C ATOM 130 C GLY A 142 -3.212 8.718 3.235 1.00 1.00 C ATOM 131 O GLY A 142 -3.626 9.092 4.331 1.00 1.00 O ATOM 0 H GLY A 142 -3.488 10.111 1.073 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -1.197 8.889 2.483 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -1.864 10.395 3.080 1.00 1.00 H new ATOM 135 N ASN A 143 -3.659 7.653 2.586 1.00 1.00 N ATOM 136 CA ASN A 143 -4.913 7.021 2.960 1.00 1.00 C ATOM 137 C ASN A 143 -4.813 5.514 2.716 1.00 1.00 C ATOM 138 O ASN A 143 -5.780 4.782 2.920 1.00 1.00 O ATOM 139 CB ASN A 143 -6.074 7.560 2.121 1.00 1.00 C ATOM 140 CG ASN A 143 -7.324 7.760 2.979 1.00 1.00 C ATOM 141 OD1 ASN A 143 -7.822 8.861 3.149 1.00 1.00 O ATOM 142 ND2 ASN A 143 -7.801 6.639 3.510 1.00 1.00 N ATOM 0 H ASN A 143 -3.175 7.212 1.804 1.00 1.00 H new ATOM 0 HA ASN A 143 -5.098 7.237 4.012 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -5.788 8.507 1.663 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -6.293 6.867 1.309 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -8.633 6.668 4.100 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -7.336 5.750 3.327 1.00 1.00 H new ATOM 149 N ASP A 144 -3.633 5.095 2.281 1.00 1.00 N ATOM 150 CA ASP A 144 -3.230 3.707 2.434 1.00 1.00 C ATOM 151 C ASP A 144 -4.171 2.814 1.622 1.00 1.00 C ATOM 152 O ASP A 144 -4.854 1.957 2.181 1.00 1.00 O ATOM 153 CB ASP A 144 -3.308 3.269 3.897 1.00 1.00 C ATOM 154 CG ASP A 144 -2.538 1.989 4.231 1.00 1.00 C ATOM 155 OD1 ASP A 144 -1.310 1.988 3.995 1.00 1.00 O ATOM 156 OD2 ASP A 144 -3.194 1.042 4.715 1.00 1.00 O ATOM 0 H ASP A 144 -2.944 5.692 1.823 1.00 1.00 H new ATOM 0 HA ASP A 144 -2.202 3.614 2.084 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -2.929 4.077 4.523 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -4.355 3.125 4.162 1.00 1.00 H new ATOM 161 N TYR A 145 -4.177 3.047 0.318 1.00 1.00 N ATOM 162 CA TYR A 145 -5.147 2.404 -0.552 1.00 1.00 C ATOM 163 C TYR A 145 -4.506 1.255 -1.332 1.00 1.00 C ATOM 164 O TYR A 145 -5.182 0.291 -1.692 1.00 1.00 O ATOM 165 CB TYR A 145 -5.608 3.480 -1.538 1.00 1.00 C ATOM 166 CG TYR A 145 -4.549 4.544 -1.838 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.445 5.659 -1.033 1.00 1.00 C ATOM 168 CD2 TYR A 145 -3.699 4.386 -2.913 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.449 6.660 -1.316 1.00 1.00 C ATOM 170 CE2 TYR A 145 -2.702 5.387 -3.196 1.00 1.00 C ATOM 171 CZ TYR A 145 -2.627 6.474 -2.384 1.00 1.00 C ATOM 172 OH TYR A 145 -1.686 7.419 -2.650 1.00 1.00 O ATOM 0 H TYR A 145 -3.526 3.672 -0.157 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.970 1.991 0.030 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -5.902 3.001 -2.472 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.496 3.969 -1.138 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -5.110 5.781 -0.191 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -3.781 3.512 -3.542 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -3.357 7.538 -0.694 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -2.030 5.276 -4.034 1.00 1.00 H new ATOM 0 HH TYR A 145 -1.716 8.114 -1.960 1.00 1.00 H new ATOM 182 N GLU A 146 -3.211 1.395 -1.573 1.00 1.00 N ATOM 183 CA GLU A 146 -2.486 0.414 -2.363 1.00 1.00 C ATOM 184 C GLU A 146 -2.305 -0.880 -1.569 1.00 1.00 C ATOM 185 O GLU A 146 -1.960 -1.916 -2.133 1.00 1.00 O ATOM 186 CB GLU A 146 -1.137 0.970 -2.822 1.00 1.00 C ATOM 187 CG GLU A 146 -0.848 2.320 -2.164 1.00 1.00 C ATOM 188 CD GLU A 146 -0.639 2.163 -0.656 1.00 1.00 C ATOM 189 OE1 GLU A 146 0.153 1.271 -0.283 1.00 1.00 O ATOM 190 OE2 GLU A 146 -1.276 2.938 0.089 1.00 1.00 O ATOM 0 H GLU A 146 -2.645 2.173 -1.235 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.072 0.189 -3.254 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.345 0.263 -2.574 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.136 1.082 -3.906 1.00 1.00 H new ATOM 0 HG2 GLU A 146 0.040 2.765 -2.613 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -1.676 3.004 -2.351 1.00 1.00 H new ATOM 197 N ASP A 147 -2.546 -0.778 -0.269 1.00 1.00 N ATOM 198 CA ASP A 147 -2.372 -1.917 0.616 1.00 1.00 C ATOM 199 C ASP A 147 -3.350 -3.024 0.215 1.00 1.00 C ATOM 200 O ASP A 147 -3.042 -4.206 0.346 1.00 1.00 O ATOM 201 CB ASP A 147 -2.662 -1.534 2.069 1.00 1.00 C ATOM 202 CG ASP A 147 -2.783 -2.714 3.036 1.00 1.00 C ATOM 203 OD1 ASP A 147 -1.725 -3.299 3.353 1.00 1.00 O ATOM 204 OD2 ASP A 147 -3.931 -3.004 3.435 1.00 1.00 O ATOM 0 H ASP A 147 -2.860 0.076 0.192 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.339 -2.256 0.531 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -1.868 -0.875 2.421 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -3.589 -0.961 2.100 1.00 1.00 H new ATOM 209 N ARG A 148 -4.509 -2.598 -0.267 1.00 1.00 N ATOM 210 CA ARG A 148 -5.599 -3.525 -0.521 1.00 1.00 C ATOM 211 C ARG A 148 -5.223 -4.493 -1.645 1.00 1.00 C ATOM 212 O ARG A 148 -5.865 -5.528 -1.818 1.00 1.00 O ATOM 213 CB ARG A 148 -6.878 -2.779 -0.905 1.00 1.00 C ATOM 214 CG ARG A 148 -7.206 -1.690 0.117 1.00 1.00 C ATOM 215 CD ARG A 148 -7.541 -2.298 1.480 1.00 1.00 C ATOM 216 NE ARG A 148 -6.455 -2.009 2.444 1.00 1.00 N ATOM 217 CZ ARG A 148 -6.230 -0.804 2.983 1.00 1.00 C ATOM 218 NH1 ARG A 148 -6.995 0.239 2.634 1.00 1.00 N ATOM 219 NH2 ARG A 148 -5.242 -0.642 3.873 1.00 1.00 N ATOM 0 H ARG A 148 -4.717 -1.624 -0.488 1.00 1.00 H new ATOM 0 HA ARG A 148 -5.780 -4.083 0.397 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.760 -2.332 -1.892 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -7.708 -3.483 -0.971 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -6.358 -1.012 0.216 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -8.049 -1.096 -0.237 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -8.483 -1.891 1.848 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -7.676 -3.375 1.384 1.00 1.00 H new ATOM 0 HE ARG A 148 -5.839 -2.776 2.715 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -7.749 0.115 1.958 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -6.824 1.157 3.044 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -4.661 -1.437 4.140 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -5.071 0.276 4.283 1.00 1.00 H new ATOM 233 N TYR A 149 -4.184 -4.122 -2.378 1.00 1.00 N ATOM 234 CA TYR A 149 -3.745 -4.919 -3.511 1.00 1.00 C ATOM 235 C TYR A 149 -2.315 -5.421 -3.306 1.00 1.00 C ATOM 236 O TYR A 149 -2.055 -6.620 -3.392 1.00 1.00 O ATOM 237 CB TYR A 149 -3.777 -3.985 -4.721 1.00 1.00 C ATOM 238 CG TYR A 149 -4.994 -3.059 -4.762 1.00 1.00 C ATOM 239 CD1 TYR A 149 -6.262 -3.590 -4.881 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.825 -1.691 -4.677 1.00 1.00 C ATOM 241 CE1 TYR A 149 -7.408 -2.718 -4.918 1.00 1.00 C ATOM 242 CE2 TYR A 149 -5.970 -0.819 -4.714 1.00 1.00 C ATOM 243 CZ TYR A 149 -7.205 -1.375 -4.833 1.00 1.00 C ATOM 244 OH TYR A 149 -8.287 -0.552 -4.868 1.00 1.00 O ATOM 0 H TYR A 149 -3.633 -3.280 -2.210 1.00 1.00 H new ATOM 0 HA TYR A 149 -4.387 -5.791 -3.639 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.872 -3.378 -4.722 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -3.760 -4.585 -5.631 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -6.395 -4.660 -4.946 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -3.833 -1.275 -4.583 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -8.406 -3.121 -5.011 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -5.851 0.252 -4.649 1.00 1.00 H new ATOM 0 HH TYR A 149 -7.992 0.380 -4.797 1.00 1.00 H new ATOM 254 N TYR A 150 -1.423 -4.478 -3.039 1.00 1.00 N ATOM 255 CA TYR A 150 -0.004 -4.705 -3.256 1.00 1.00 C ATOM 256 C TYR A 150 0.748 -4.784 -1.926 1.00 1.00 C ATOM 257 O TYR A 150 1.771 -4.127 -1.747 1.00 1.00 O ATOM 258 CB TYR A 150 0.502 -3.495 -4.043 1.00 1.00 C ATOM 259 CG TYR A 150 -0.292 -3.205 -5.318 1.00 1.00 C ATOM 260 CD1 TYR A 150 -0.710 -4.246 -6.122 1.00 1.00 C ATOM 261 CD2 TYR A 150 -0.591 -1.903 -5.665 1.00 1.00 C ATOM 262 CE1 TYR A 150 -1.457 -3.974 -7.323 1.00 1.00 C ATOM 263 CE2 TYR A 150 -1.338 -1.631 -6.865 1.00 1.00 C ATOM 264 CZ TYR A 150 -1.734 -2.679 -7.635 1.00 1.00 C ATOM 265 OH TYR A 150 -2.440 -2.423 -8.769 1.00 1.00 O ATOM 0 H TYR A 150 -1.656 -3.554 -2.674 1.00 1.00 H new ATOM 0 HA TYR A 150 0.158 -5.644 -3.785 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.469 -2.616 -3.399 1.00 1.00 H new ATOM 0 HB3 TYR A 150 1.547 -3.658 -4.307 1.00 1.00 H new ATOM 0 HD1 TYR A 150 -0.477 -5.265 -5.850 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.264 -1.088 -5.036 1.00 1.00 H new ATOM 0 HE1 TYR A 150 -1.790 -4.779 -7.961 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -1.579 -0.617 -7.147 1.00 1.00 H new ATOM 0 HH TYR A 150 -2.565 -1.456 -8.865 1.00 1.00 H new ATOM 275 N ARG A 151 0.211 -5.596 -1.026 1.00 1.00 N ATOM 276 CA ARG A 151 0.818 -5.769 0.282 1.00 1.00 C ATOM 277 C ARG A 151 1.809 -6.934 0.257 1.00 1.00 C ATOM 278 O ARG A 151 1.840 -7.747 1.180 1.00 1.00 O ATOM 279 CB ARG A 151 -0.244 -6.035 1.351 1.00 1.00 C ATOM 280 CG ARG A 151 -1.219 -7.122 0.897 1.00 1.00 C ATOM 281 CD ARG A 151 -2.057 -7.632 2.071 1.00 1.00 C ATOM 282 NE ARG A 151 -2.700 -6.495 2.766 1.00 1.00 N ATOM 283 CZ ARG A 151 -3.204 -6.559 4.005 1.00 1.00 C ATOM 284 NH1 ARG A 151 -3.192 -7.720 4.674 1.00 1.00 N ATOM 285 NH2 ARG A 151 -3.720 -5.462 4.577 1.00 1.00 N ATOM 0 H ARG A 151 -0.638 -6.141 -1.178 1.00 1.00 H new ATOM 0 HA ARG A 151 1.343 -4.846 0.529 1.00 1.00 H new ATOM 0 HB2 ARG A 151 0.238 -6.339 2.280 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -0.791 -5.116 1.562 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -1.875 -6.726 0.122 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -0.666 -7.950 0.454 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -2.817 -8.326 1.712 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -1.425 -8.184 2.767 1.00 1.00 H new ATOM 0 HE ARG A 151 -2.763 -5.606 2.270 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -2.799 -8.555 4.239 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -3.576 -7.769 5.618 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -3.729 -4.578 4.068 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -4.104 -5.511 5.521 1.00 1.00 H new ATOM 299 N GLU A 152 2.595 -6.979 -0.809 1.00 1.00 N ATOM 300 CA GLU A 152 3.565 -8.046 -0.979 1.00 1.00 C ATOM 301 C GLU A 152 4.867 -7.699 -0.254 1.00 1.00 C ATOM 302 O GLU A 152 5.955 -7.935 -0.777 1.00 1.00 O ATOM 303 CB GLU A 152 3.821 -8.323 -2.462 1.00 1.00 C ATOM 304 CG GLU A 152 2.505 -8.485 -3.224 1.00 1.00 C ATOM 305 CD GLU A 152 2.265 -7.299 -4.161 1.00 1.00 C ATOM 306 OE1 GLU A 152 2.656 -6.179 -3.770 1.00 1.00 O ATOM 307 OE2 GLU A 152 1.694 -7.540 -5.248 1.00 1.00 O ATOM 0 H GLU A 152 2.579 -6.293 -1.564 1.00 1.00 H new ATOM 0 HA GLU A 152 3.157 -8.956 -0.538 1.00 1.00 H new ATOM 0 HB2 GLU A 152 4.397 -7.505 -2.894 1.00 1.00 H new ATOM 0 HB3 GLU A 152 4.421 -9.227 -2.569 1.00 1.00 H new ATOM 0 HG2 GLU A 152 2.526 -9.410 -3.800 1.00 1.00 H new ATOM 0 HG3 GLU A 152 1.679 -8.568 -2.517 1.00 1.00 H new ATOM 314 N ASN A 153 4.712 -7.146 0.941 1.00 1.00 N ATOM 315 CA ASN A 153 5.853 -6.913 1.810 1.00 1.00 C ATOM 316 C ASN A 153 5.356 -6.597 3.222 1.00 1.00 C ATOM 317 O ASN A 153 6.053 -5.944 3.999 1.00 1.00 O ATOM 318 CB ASN A 153 6.682 -5.722 1.324 1.00 1.00 C ATOM 319 CG ASN A 153 5.799 -4.491 1.110 1.00 1.00 C ATOM 320 OD1 ASN A 153 5.447 -4.132 -0.002 1.00 1.00 O ATOM 321 ND2 ASN A 153 5.463 -3.865 2.235 1.00 1.00 N ATOM 0 H ASN A 153 3.814 -6.853 1.327 1.00 1.00 H new ATOM 0 HA ASN A 153 6.472 -7.810 1.802 1.00 1.00 H new ATOM 0 HB2 ASN A 153 7.460 -5.494 2.053 1.00 1.00 H new ATOM 0 HB3 ASN A 153 7.185 -5.980 0.392 1.00 1.00 H new ATOM 0 HD21 ASN A 153 4.876 -3.031 2.199 1.00 1.00 H new ATOM 0 HD22 ASN A 153 5.792 -4.219 3.133 1.00 1.00 H new ATOM 328 N MET A 154 4.155 -7.074 3.513 1.00 1.00 N ATOM 329 CA MET A 154 3.469 -6.684 4.734 1.00 1.00 C ATOM 330 C MET A 154 2.443 -7.740 5.147 1.00 1.00 C ATOM 331 O MET A 154 1.502 -7.443 5.882 1.00 1.00 O ATOM 332 CB MET A 154 2.765 -5.344 4.518 1.00 1.00 C ATOM 333 CG MET A 154 2.657 -4.564 5.829 1.00 1.00 C ATOM 334 SD MET A 154 1.562 -3.169 5.622 1.00 1.00 S ATOM 335 CE MET A 154 -0.009 -3.965 5.910 1.00 1.00 C ATOM 0 H MET A 154 3.639 -7.727 2.924 1.00 1.00 H new ATOM 0 HA MET A 154 4.208 -6.592 5.530 1.00 1.00 H new ATOM 0 HB2 MET A 154 3.315 -4.755 3.784 1.00 1.00 H new ATOM 0 HB3 MET A 154 1.769 -5.514 4.109 1.00 1.00 H new ATOM 0 HG2 MET A 154 2.284 -5.215 6.619 1.00 1.00 H new ATOM 0 HG3 MET A 154 3.644 -4.219 6.139 1.00 1.00 H new ATOM 0 HE1 MET A 154 -0.807 -3.225 5.854 1.00 1.00 H new ATOM 0 HE2 MET A 154 -0.172 -4.733 5.154 1.00 1.00 H new ATOM 0 HE3 MET A 154 -0.009 -4.424 6.899 1.00 1.00 H new ATOM 345 N TYR A 155 2.657 -8.952 4.657 1.00 1.00 N ATOM 346 CA TYR A 155 1.674 -10.010 4.819 1.00 1.00 C ATOM 347 C TYR A 155 2.246 -11.361 4.383 1.00 1.00 C ATOM 348 O TYR A 155 1.683 -12.386 4.827 1.00 1.00 O ATOM 349 CB TYR A 155 0.505 -9.645 3.903 1.00 1.00 C ATOM 350 CG TYR A 155 -0.825 -10.286 4.306 1.00 1.00 C ATOM 351 CD1 TYR A 155 -1.358 -10.040 5.554 1.00 1.00 C ATOM 352 CD2 TYR A 155 -1.491 -11.109 3.421 1.00 1.00 C ATOM 353 CE1 TYR A 155 -2.610 -10.643 5.934 1.00 1.00 C ATOM 354 CE2 TYR A 155 -2.742 -11.711 3.799 1.00 1.00 C ATOM 355 CZ TYR A 155 -3.241 -11.449 5.038 1.00 1.00 C ATOM 356 OH TYR A 155 -4.422 -12.018 5.396 1.00 1.00 O ATOM 357 OXT TYR A 155 3.233 -11.339 3.616 1.00 1.00 O ATOM 0 H TYR A 155 3.497 -9.225 4.147 1.00 1.00 H new ATOM 0 HA TYR A 155 1.374 -10.098 5.863 1.00 1.00 H new ATOM 0 HB2 TYR A 155 0.387 -8.561 3.896 1.00 1.00 H new ATOM 0 HB3 TYR A 155 0.748 -9.946 2.884 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -0.837 -9.395 6.246 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -1.073 -11.301 2.444 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -3.038 -10.459 6.908 1.00 1.00 H new ATOM 0 HE2 TYR A 155 -3.273 -12.356 3.115 1.00 1.00 H new ATOM 0 HH TYR A 155 -4.758 -12.567 4.657 1.00 1.00 H new