USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 185 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 Set 1.1: A 150 TYR OH : rot 61:sc= 1.1 USER MOD Set 1.2: A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -5.18! K(o=-5.2!,f=-1.5) 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 153 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 154 MET CE :methyl -144:sc= -0.25 (180deg=-2.97) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= 0.596 K(o=0.6,f=0) USER MOD Single : A 160 GLN : amide:sc= 1.12 K(o=1.1,f=-0.083) USER MOD Single : A 162 TYR OH : rot 150:sc= -0.806 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ASN A 143 -6.691 0.322 -7.495 1.00 0.00 N ATOM 11 CA ASN A 143 -7.284 0.804 -6.251 1.00 0.00 C ATOM 12 C ASN A 143 -8.109 -0.315 -5.622 1.00 0.00 C ATOM 13 O ASN A 143 -9.174 -0.085 -5.055 1.00 0.00 O ATOM 14 CB ASN A 143 -8.155 2.045 -6.511 1.00 0.00 C ATOM 15 CG ASN A 143 -8.682 2.713 -5.238 1.00 0.00 C ATOM 16 OD1 ASN A 143 -9.776 3.273 -5.235 1.00 0.00 O ATOM 17 ND2 ASN A 143 -7.906 2.674 -4.158 1.00 0.00 N ATOM 0 HA ASN A 143 -6.491 1.095 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -7.573 2.773 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -9.001 1.758 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -8.214 3.118 -3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -7.003 2.200 -4.195 1.00 0.00 H new ATOM 24 N ASP A 144 -7.599 -1.534 -5.729 1.00 0.00 N ATOM 25 CA ASP A 144 -8.261 -2.696 -5.158 1.00 0.00 C ATOM 26 C ASP A 144 -7.944 -2.804 -3.674 1.00 0.00 C ATOM 27 O ASP A 144 -6.804 -2.621 -3.248 1.00 0.00 O ATOM 28 CB ASP A 144 -7.874 -3.982 -5.901 1.00 0.00 C ATOM 29 CG ASP A 144 -6.378 -4.140 -6.086 1.00 0.00 C ATOM 30 OD1 ASP A 144 -5.849 -3.638 -7.106 1.00 0.00 O ATOM 31 OD2 ASP A 144 -5.730 -4.777 -5.234 1.00 0.00 O ATOM 0 H ASP A 144 -6.724 -1.743 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 144 -9.337 -2.567 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -8.258 -4.841 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -8.357 -3.988 -6.878 1.00 0.00 H new ATOM 36 N TYR A 145 -8.973 -3.087 -2.895 1.00 0.00 N ATOM 37 CA TYR A 145 -8.895 -2.959 -1.453 1.00 0.00 C ATOM 38 C TYR A 145 -9.047 -4.263 -0.694 1.00 0.00 C ATOM 39 O TYR A 145 -9.540 -5.267 -1.215 1.00 0.00 O ATOM 40 CB TYR A 145 -9.962 -1.988 -0.976 1.00 0.00 C ATOM 41 CG TYR A 145 -11.125 -1.810 -1.931 1.00 0.00 C ATOM 42 CD1 TYR A 145 -12.243 -2.632 -1.879 1.00 0.00 C ATOM 43 CD2 TYR A 145 -11.099 -0.796 -2.877 1.00 0.00 C ATOM 44 CE1 TYR A 145 -13.303 -2.443 -2.748 1.00 0.00 C ATOM 45 CE2 TYR A 145 -12.147 -0.603 -3.748 1.00 0.00 C ATOM 46 CZ TYR A 145 -13.247 -1.429 -3.682 1.00 0.00 C ATOM 47 OH TYR A 145 -14.304 -1.230 -4.543 1.00 0.00 O ATOM 0 H TYR A 145 -9.877 -3.409 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 145 -7.889 -2.596 -1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -10.346 -2.334 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -9.499 -1.016 -0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -12.286 -3.429 -1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -10.239 -0.145 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -14.169 -3.086 -2.695 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -12.107 0.191 -4.479 1.00 0.00 H new ATOM 0 HH TYR A 145 -14.105 -0.476 -5.136 1.00 0.00 H new ATOM 57 N GLU A 146 -8.622 -4.200 0.562 1.00 0.00 N ATOM 58 CA GLU A 146 -8.817 -5.270 1.523 1.00 0.00 C ATOM 59 C GLU A 146 -9.886 -4.849 2.528 1.00 0.00 C ATOM 60 O GLU A 146 -10.729 -5.650 2.933 1.00 0.00 O ATOM 61 CB GLU A 146 -7.512 -5.552 2.269 1.00 0.00 C ATOM 62 CG GLU A 146 -6.420 -6.168 1.412 1.00 0.00 C ATOM 63 CD GLU A 146 -6.662 -7.636 1.150 1.00 0.00 C ATOM 64 OE1 GLU A 146 -6.435 -8.450 2.070 1.00 0.00 O ATOM 65 OE2 GLU A 146 -7.071 -7.989 0.028 1.00 0.00 O ATOM 0 H GLU A 146 -8.127 -3.394 0.943 1.00 0.00 H new ATOM 0 HA GLU A 146 -9.130 -6.172 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -7.141 -4.619 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -7.722 -6.220 3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -6.362 -5.636 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -5.457 -6.043 1.907 1.00 0.00 H new ATOM 72 N ASP A 147 -9.838 -3.576 2.907 1.00 0.00 N ATOM 73 CA ASP A 147 -10.736 -3.024 3.913 1.00 0.00 C ATOM 74 C ASP A 147 -11.461 -1.784 3.387 1.00 0.00 C ATOM 75 O ASP A 147 -12.681 -1.670 3.523 1.00 0.00 O ATOM 76 CB ASP A 147 -9.948 -2.686 5.184 1.00 0.00 C ATOM 77 CG ASP A 147 -10.811 -2.070 6.269 1.00 0.00 C ATOM 78 OD1 ASP A 147 -11.804 -2.700 6.680 1.00 0.00 O ATOM 79 OD2 ASP A 147 -10.483 -0.959 6.744 1.00 0.00 O ATOM 0 H ASP A 147 -9.176 -2.900 2.526 1.00 0.00 H new ATOM 0 HA ASP A 147 -11.491 -3.774 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -9.483 -3.594 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -9.142 -1.996 4.933 1.00 0.00 H new ATOM 84 N ARG A 148 -10.719 -0.856 2.781 1.00 0.00 N ATOM 85 CA ARG A 148 -11.333 0.352 2.222 1.00 0.00 C ATOM 86 C ARG A 148 -10.881 0.573 0.789 1.00 0.00 C ATOM 87 O ARG A 148 -11.703 0.611 -0.126 1.00 0.00 O ATOM 88 CB ARG A 148 -10.986 1.601 3.028 1.00 0.00 C ATOM 89 CG ARG A 148 -10.547 1.340 4.449 1.00 0.00 C ATOM 90 CD ARG A 148 -10.353 2.646 5.184 1.00 0.00 C ATOM 91 NE ARG A 148 -9.453 3.521 4.445 1.00 0.00 N ATOM 92 CZ ARG A 148 -8.174 3.686 4.745 1.00 0.00 C ATOM 93 NH1 ARG A 148 -7.654 3.101 5.821 1.00 0.00 N ATOM 94 NH2 ARG A 148 -7.413 4.427 3.954 1.00 0.00 N ATOM 0 H ARG A 148 -9.707 -0.914 2.665 1.00 0.00 H new ATOM 0 HA ARG A 148 -12.411 0.193 2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -10.192 2.140 2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -11.856 2.257 3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -11.293 0.733 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -9.617 0.771 4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -11.316 3.138 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -9.948 2.454 6.177 1.00 0.00 H new ATOM 0 HE ARG A 148 -9.830 4.037 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -8.241 2.521 6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -6.668 3.232 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -7.814 4.864 3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -6.426 4.561 4.175 1.00 0.00 H new ATOM 108 N TYR A 149 -9.569 0.736 0.603 1.00 0.00 N ATOM 109 CA TYR A 149 -8.997 0.935 -0.726 1.00 0.00 C ATOM 110 C TYR A 149 -7.640 0.256 -0.822 1.00 0.00 C ATOM 111 O TYR A 149 -7.308 -0.600 -0.015 1.00 0.00 O ATOM 112 CB TYR A 149 -8.850 2.412 -1.074 1.00 0.00 C ATOM 113 CG TYR A 149 -10.153 3.171 -1.134 1.00 0.00 C ATOM 114 CD1 TYR A 149 -10.994 3.064 -2.236 1.00 0.00 C ATOM 115 CD2 TYR A 149 -10.539 4.004 -0.095 1.00 0.00 C ATOM 116 CE1 TYR A 149 -12.180 3.768 -2.297 1.00 0.00 C ATOM 117 CE2 TYR A 149 -11.722 4.707 -0.149 1.00 0.00 C ATOM 118 CZ TYR A 149 -12.538 4.587 -1.250 1.00 0.00 C ATOM 119 OH TYR A 149 -13.715 5.296 -1.306 1.00 0.00 O ATOM 0 H TYR A 149 -8.884 0.734 1.359 1.00 0.00 H new ATOM 0 HA TYR A 149 -9.688 0.489 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -8.202 2.884 -0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -8.349 2.497 -2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -10.715 2.420 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -9.901 4.103 0.771 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -12.823 3.677 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -12.008 5.350 0.670 1.00 0.00 H new ATOM 0 HH TYR A 149 -13.818 5.824 -0.487 1.00 0.00 H new ATOM 129 N TYR A 150 -6.851 0.659 -1.802 1.00 0.00 N ATOM 130 CA TYR A 150 -5.570 0.013 -2.075 1.00 0.00 C ATOM 131 C TYR A 150 -4.486 0.398 -1.067 1.00 0.00 C ATOM 132 O TYR A 150 -3.293 0.277 -1.344 1.00 0.00 O ATOM 133 CB TYR A 150 -5.117 0.330 -3.503 1.00 0.00 C ATOM 134 CG TYR A 150 -4.879 1.805 -3.825 1.00 0.00 C ATOM 135 CD1 TYR A 150 -5.144 2.823 -2.907 1.00 0.00 C ATOM 136 CD2 TYR A 150 -4.409 2.175 -5.080 1.00 0.00 C ATOM 137 CE1 TYR A 150 -4.946 4.150 -3.237 1.00 0.00 C ATOM 138 CE2 TYR A 150 -4.214 3.498 -5.416 1.00 0.00 C ATOM 139 CZ TYR A 150 -4.483 4.482 -4.493 1.00 0.00 C ATOM 140 OH TYR A 150 -4.302 5.804 -4.834 1.00 0.00 O ATOM 0 H TYR A 150 -7.072 1.434 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 150 -5.722 -1.061 -1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -4.194 -0.216 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -5.868 -0.054 -4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -5.510 2.569 -1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -4.192 1.408 -5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -5.153 4.925 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -3.852 3.760 -6.399 1.00 0.00 H new ATOM 0 HH TYR A 150 -3.645 6.210 -4.231 1.00 0.00 H new ATOM 150 N ARG A 151 -4.894 0.836 0.110 1.00 0.00 N ATOM 151 CA ARG A 151 -3.943 1.184 1.149 1.00 0.00 C ATOM 152 C ARG A 151 -3.435 -0.066 1.813 1.00 0.00 C ATOM 153 O ARG A 151 -2.258 -0.171 2.150 1.00 0.00 O ATOM 154 CB ARG A 151 -4.571 2.089 2.200 1.00 0.00 C ATOM 155 CG ARG A 151 -4.812 3.497 1.724 1.00 0.00 C ATOM 156 CD ARG A 151 -6.145 3.651 1.010 1.00 0.00 C ATOM 157 NE ARG A 151 -6.269 4.988 0.411 1.00 0.00 N ATOM 158 CZ ARG A 151 -5.931 6.136 1.026 1.00 0.00 C ATOM 159 NH1 ARG A 151 -5.645 6.173 2.320 1.00 0.00 N ATOM 160 NH2 ARG A 151 -5.906 7.265 0.353 1.00 0.00 N ATOM 0 H ARG A 151 -5.873 0.959 0.369 1.00 0.00 H new ATOM 0 HA ARG A 151 -3.119 1.722 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -5.519 1.656 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -3.923 2.117 3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -4.780 4.176 2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -4.007 3.792 1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -6.236 2.891 0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -6.960 3.487 1.715 1.00 0.00 H new ATOM 0 HE ARG A 151 -6.637 5.050 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -5.678 5.317 2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -5.392 7.057 2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -6.143 7.273 -0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -5.649 8.133 0.823 1.00 0.00 H new ATOM 174 N GLU A 152 -4.334 -1.020 1.966 1.00 0.00 N ATOM 175 CA GLU A 152 -4.020 -2.293 2.585 1.00 0.00 C ATOM 176 C GLU A 152 -3.110 -3.120 1.675 1.00 0.00 C ATOM 177 O GLU A 152 -2.786 -4.272 1.977 1.00 0.00 O ATOM 178 CB GLU A 152 -5.309 -3.055 2.909 1.00 0.00 C ATOM 179 CG GLU A 152 -6.305 -2.274 3.771 1.00 0.00 C ATOM 180 CD GLU A 152 -7.118 -1.258 2.981 1.00 0.00 C ATOM 181 OE1 GLU A 152 -8.141 -1.650 2.385 1.00 0.00 O ATOM 182 OE2 GLU A 152 -6.730 -0.071 2.945 1.00 0.00 O ATOM 0 H GLU A 152 -5.304 -0.933 1.664 1.00 0.00 H new ATOM 0 HA GLU A 152 -3.487 -2.109 3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -5.796 -3.334 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -5.050 -3.981 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -6.985 -2.976 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -5.763 -1.758 4.563 1.00 0.00 H new ATOM 189 N ASN A 153 -2.695 -2.517 0.565 1.00 0.00 N ATOM 190 CA ASN A 153 -1.695 -3.107 -0.305 1.00 0.00 C ATOM 191 C ASN A 153 -0.338 -2.503 0.042 1.00 0.00 C ATOM 192 O ASN A 153 0.427 -3.078 0.816 1.00 0.00 O ATOM 193 CB ASN A 153 -2.029 -2.842 -1.781 1.00 0.00 C ATOM 194 CG ASN A 153 -1.094 -3.570 -2.730 1.00 0.00 C ATOM 195 OD1 ASN A 153 -0.012 -3.082 -3.055 1.00 0.00 O ATOM 196 ND2 ASN A 153 -1.520 -4.726 -3.209 1.00 0.00 N ATOM 0 H ASN A 153 -3.043 -1.612 0.249 1.00 0.00 H new ATOM 0 HA ASN A 153 -1.676 -4.187 -0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -3.055 -3.152 -1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -1.976 -1.771 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -0.945 -5.246 -3.872 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -2.423 -5.098 -2.915 1.00 0.00 H new ATOM 203 N MET A 154 -0.072 -1.322 -0.505 1.00 0.00 N ATOM 204 CA MET A 154 1.130 -0.557 -0.182 1.00 0.00 C ATOM 205 C MET A 154 0.995 0.828 -0.783 1.00 0.00 C ATOM 206 O MET A 154 1.451 1.095 -1.894 1.00 0.00 O ATOM 207 CB MET A 154 2.396 -1.253 -0.702 1.00 0.00 C ATOM 208 CG MET A 154 3.696 -0.845 -0.003 1.00 0.00 C ATOM 209 SD MET A 154 4.264 0.827 -0.403 1.00 0.00 S ATOM 210 CE MET A 154 3.615 1.776 0.975 1.00 0.00 C ATOM 0 H MET A 154 -0.682 -0.867 -1.184 1.00 0.00 H new ATOM 0 HA MET A 154 1.229 -0.485 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 154 2.268 -2.330 -0.597 1.00 0.00 H new ATOM 0 HB3 MET A 154 2.494 -1.046 -1.768 1.00 0.00 H new ATOM 0 HG2 MET A 154 3.554 -0.920 1.075 1.00 0.00 H new ATOM 0 HG3 MET A 154 4.478 -1.556 -0.272 1.00 0.00 H new ATOM 0 HE1 MET A 154 3.303 2.760 0.624 1.00 0.00 H new ATOM 0 HE2 MET A 154 2.759 1.255 1.404 1.00 0.00 H new ATOM 0 HE3 MET A 154 4.388 1.890 1.735 1.00 0.00 H new ATOM 220 N TYR A 155 0.319 1.687 -0.049 1.00 0.00 N ATOM 221 CA TYR A 155 0.064 3.044 -0.486 1.00 0.00 C ATOM 222 C TYR A 155 0.261 3.990 0.689 1.00 0.00 C ATOM 223 O TYR A 155 1.305 4.619 0.825 1.00 0.00 O ATOM 224 CB TYR A 155 -1.357 3.140 -1.043 1.00 0.00 C ATOM 225 CG TYR A 155 -1.756 4.516 -1.517 1.00 0.00 C ATOM 226 CD1 TYR A 155 -1.198 5.071 -2.658 1.00 0.00 C ATOM 227 CD2 TYR A 155 -2.712 5.248 -0.828 1.00 0.00 C ATOM 228 CE1 TYR A 155 -1.584 6.321 -3.105 1.00 0.00 C ATOM 229 CE2 TYR A 155 -3.100 6.499 -1.263 1.00 0.00 C ATOM 230 CZ TYR A 155 -2.535 7.031 -2.402 1.00 0.00 C ATOM 231 OH TYR A 155 -2.934 8.267 -2.852 1.00 0.00 O ATOM 0 H TYR A 155 -0.069 1.464 0.868 1.00 0.00 H new ATOM 0 HA TYR A 155 0.759 3.325 -1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 155 -1.455 2.442 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 155 -2.057 2.819 -0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 155 -0.450 4.518 -3.207 1.00 0.00 H new ATOM 0 HD2 TYR A 155 -3.160 4.832 0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 155 -1.144 6.739 -3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 155 -3.843 7.058 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 155 -3.610 8.634 -2.245 1.00 0.00 H new ATOM 241 N ALA A 156 -0.743 4.063 1.549 1.00 0.00 N ATOM 242 CA ALA A 156 -0.630 4.798 2.799 1.00 0.00 C ATOM 243 C ALA A 156 -0.178 3.849 3.894 1.00 0.00 C ATOM 244 O ALA A 156 0.274 4.259 4.963 1.00 0.00 O ATOM 245 CB ALA A 156 -1.963 5.425 3.162 1.00 0.00 C ATOM 0 H ALA A 156 -1.650 3.620 1.403 1.00 0.00 H new ATOM 0 HA ALA A 156 0.103 5.597 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -1.864 5.972 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.270 6.111 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -2.714 4.643 3.275 1.00 0.00 H new ATOM 251 N TYR A 157 -0.311 2.565 3.594 1.00 0.00 N ATOM 252 CA TYR A 157 0.038 1.505 4.518 1.00 0.00 C ATOM 253 C TYR A 157 1.142 0.631 3.929 1.00 0.00 C ATOM 254 O TYR A 157 0.880 -0.199 3.059 1.00 0.00 O ATOM 255 CB TYR A 157 -1.183 0.626 4.804 1.00 0.00 C ATOM 256 CG TYR A 157 -2.263 1.257 5.654 1.00 0.00 C ATOM 257 CD1 TYR A 157 -3.129 2.225 5.140 1.00 0.00 C ATOM 258 CD2 TYR A 157 -2.443 0.851 6.972 1.00 0.00 C ATOM 259 CE1 TYR A 157 -4.133 2.760 5.919 1.00 0.00 C ATOM 260 CE2 TYR A 157 -3.446 1.390 7.753 1.00 0.00 C ATOM 261 CZ TYR A 157 -4.287 2.343 7.222 1.00 0.00 C ATOM 262 OH TYR A 157 -5.294 2.876 7.995 1.00 0.00 O ATOM 0 H TYR A 157 -0.666 2.232 2.698 1.00 0.00 H new ATOM 0 HA TYR A 157 0.386 1.964 5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -1.623 0.328 3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -0.844 -0.285 5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -3.011 2.559 4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -1.788 0.102 7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -4.798 3.505 5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -3.571 1.066 8.776 1.00 0.00 H new ATOM 0 HH TYR A 157 -5.267 2.475 8.889 1.00 0.00 H new ATOM 272 N PRO A 158 2.398 0.845 4.336 1.00 0.00 N ATOM 273 CA PRO A 158 3.495 -0.061 4.000 1.00 0.00 C ATOM 274 C PRO A 158 3.372 -1.390 4.741 1.00 0.00 C ATOM 275 O PRO A 158 3.939 -1.570 5.824 1.00 0.00 O ATOM 276 CB PRO A 158 4.756 0.695 4.451 1.00 0.00 C ATOM 277 CG PRO A 158 4.309 2.096 4.702 1.00 0.00 C ATOM 278 CD PRO A 158 2.867 2.005 5.099 1.00 0.00 C ATOM 0 HA PRO A 158 3.507 -0.314 2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 158 5.180 0.250 5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 158 5.530 0.661 3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 158 4.902 2.559 5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 158 4.430 2.710 3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 158 2.751 1.858 6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 158 2.317 2.910 4.840 1.00 0.00 H new ATOM 286 N ASN A 159 2.613 -2.316 4.162 1.00 0.00 N ATOM 287 CA ASN A 159 2.376 -3.614 4.784 1.00 0.00 C ATOM 288 C ASN A 159 3.588 -4.520 4.628 1.00 0.00 C ATOM 289 O ASN A 159 3.540 -5.533 3.934 1.00 0.00 O ATOM 290 CB ASN A 159 1.136 -4.292 4.191 1.00 0.00 C ATOM 291 CG ASN A 159 -0.134 -3.509 4.452 1.00 0.00 C ATOM 292 OD1 ASN A 159 -0.765 -3.659 5.495 1.00 0.00 O ATOM 293 ND2 ASN A 159 -0.532 -2.692 3.495 1.00 0.00 N ATOM 0 H ASN A 159 2.151 -2.191 3.261 1.00 0.00 H new ATOM 0 HA ASN A 159 2.202 -3.442 5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 159 1.271 -4.412 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 159 1.036 -5.292 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -1.393 -2.156 3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 159 0.021 -2.596 2.644 1.00 0.00 H new ATOM 300 N GLN A 160 4.680 -4.122 5.258 1.00 0.00 N ATOM 301 CA GLN A 160 5.911 -4.899 5.269 1.00 0.00 C ATOM 302 C GLN A 160 6.541 -4.830 6.648 1.00 0.00 C ATOM 303 O GLN A 160 6.943 -5.846 7.212 1.00 0.00 O ATOM 304 CB GLN A 160 6.893 -4.370 4.221 1.00 0.00 C ATOM 305 CG GLN A 160 6.458 -4.627 2.784 1.00 0.00 C ATOM 306 CD GLN A 160 6.570 -6.088 2.385 1.00 0.00 C ATOM 307 OE1 GLN A 160 7.602 -6.525 1.881 1.00 0.00 O ATOM 308 NE2 GLN A 160 5.517 -6.858 2.613 1.00 0.00 N ATOM 0 H GLN A 160 4.740 -3.247 5.779 1.00 0.00 H new ATOM 0 HA GLN A 160 5.674 -5.935 5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 160 7.021 -3.297 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 160 7.867 -4.832 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 160 5.426 -4.299 2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 160 7.068 -4.024 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.676 -6.461 3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 160 5.546 -7.848 2.369 1.00 0.00 H new ATOM 317 N VAL A 161 6.599 -3.619 7.192 1.00 0.00 N ATOM 318 CA VAL A 161 7.184 -3.399 8.508 1.00 0.00 C ATOM 319 C VAL A 161 6.291 -3.991 9.594 1.00 0.00 C ATOM 320 O VAL A 161 6.776 -4.531 10.582 1.00 0.00 O ATOM 321 CB VAL A 161 7.399 -1.898 8.788 1.00 0.00 C ATOM 322 CG1 VAL A 161 8.328 -1.707 9.975 1.00 0.00 C ATOM 323 CG2 VAL A 161 7.945 -1.189 7.557 1.00 0.00 C ATOM 0 H VAL A 161 6.247 -2.775 6.741 1.00 0.00 H new ATOM 0 HA VAL A 161 8.154 -3.896 8.519 1.00 0.00 H new ATOM 0 HB VAL A 161 6.434 -1.454 9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 161 8.469 -0.642 10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 161 7.891 -2.173 10.858 1.00 0.00 H new ATOM 0 HG13 VAL A 161 9.292 -2.169 9.761 1.00 0.00 H new ATOM 0 HG21 VAL A 161 8.088 -0.132 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 161 8.900 -1.633 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 161 7.239 -1.294 6.733 1.00 0.00 H new ATOM 333 N TYR A 162 4.980 -3.888 9.399 1.00 0.00 N ATOM 334 CA TYR A 162 4.027 -4.494 10.321 1.00 0.00 C ATOM 335 C TYR A 162 3.217 -5.586 9.633 1.00 0.00 C ATOM 336 O TYR A 162 2.054 -5.819 9.961 1.00 0.00 O ATOM 337 CB TYR A 162 3.098 -3.442 10.951 1.00 0.00 C ATOM 338 CG TYR A 162 2.637 -2.329 10.026 1.00 0.00 C ATOM 339 CD1 TYR A 162 1.637 -2.532 9.078 1.00 0.00 C ATOM 340 CD2 TYR A 162 3.185 -1.058 10.132 1.00 0.00 C ATOM 341 CE1 TYR A 162 1.210 -1.502 8.260 1.00 0.00 C ATOM 342 CE2 TYR A 162 2.759 -0.025 9.324 1.00 0.00 C ATOM 343 CZ TYR A 162 1.772 -0.248 8.392 1.00 0.00 C ATOM 344 OH TYR A 162 1.344 0.786 7.590 1.00 0.00 O ATOM 0 H TYR A 162 4.555 -3.393 8.615 1.00 0.00 H new ATOM 0 HA TYR A 162 4.602 -4.951 11.126 1.00 0.00 H new ATOM 0 HB2 TYR A 162 2.218 -3.951 11.344 1.00 0.00 H new ATOM 0 HB3 TYR A 162 3.612 -2.993 11.801 1.00 0.00 H new ATOM 0 HD1 TYR A 162 1.188 -3.509 8.980 1.00 0.00 H new ATOM 0 HD2 TYR A 162 3.960 -0.875 10.861 1.00 0.00 H new ATOM 0 HE1 TYR A 162 0.441 -1.678 7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 162 3.199 0.956 9.423 1.00 0.00 H new ATOM 0 HH TYR A 162 1.440 1.634 8.071 1.00 0.00 H new ATOM 354 N TYR A 163 3.845 -6.261 8.678 1.00 0.00 N ATOM 355 CA TYR A 163 3.226 -7.399 8.024 1.00 0.00 C ATOM 356 C TYR A 163 3.563 -8.671 8.795 1.00 0.00 C ATOM 357 O TYR A 163 2.687 -9.319 9.364 1.00 0.00 O ATOM 358 CB TYR A 163 3.703 -7.519 6.572 1.00 0.00 C ATOM 359 CG TYR A 163 2.850 -8.437 5.723 1.00 0.00 C ATOM 360 CD1 TYR A 163 1.738 -7.947 5.052 1.00 0.00 C ATOM 361 CD2 TYR A 163 3.151 -9.788 5.593 1.00 0.00 C ATOM 362 CE1 TYR A 163 0.951 -8.773 4.275 1.00 0.00 C ATOM 363 CE2 TYR A 163 2.369 -10.622 4.817 1.00 0.00 C ATOM 364 CZ TYR A 163 1.268 -10.109 4.161 1.00 0.00 C ATOM 365 OH TYR A 163 0.479 -10.934 3.393 1.00 0.00 O ATOM 0 H TYR A 163 4.782 -6.038 8.342 1.00 0.00 H new ATOM 0 HA TYR A 163 2.146 -7.255 8.014 1.00 0.00 H new ATOM 0 HB2 TYR A 163 3.714 -6.527 6.120 1.00 0.00 H new ATOM 0 HB3 TYR A 163 4.730 -7.884 6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 163 1.484 -6.901 5.139 1.00 0.00 H new ATOM 0 HD2 TYR A 163 4.010 -10.192 6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.091 -8.374 3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 163 2.618 -11.669 4.724 1.00 0.00 H new ATOM 0 HH TYR A 163 0.839 -11.845 3.416 1.00 0.00 H new ATOM 375 N ARG A 164 4.844 -9.018 8.817 1.00 0.00 N ATOM 376 CA ARG A 164 5.310 -10.170 9.575 1.00 0.00 C ATOM 377 C ARG A 164 6.008 -9.720 10.858 1.00 0.00 C ATOM 378 O ARG A 164 5.633 -10.168 11.940 1.00 0.00 O ATOM 379 CB ARG A 164 6.213 -11.062 8.718 1.00 0.00 C ATOM 380 CG ARG A 164 5.459 -11.736 7.589 1.00 0.00 C ATOM 381 CD ARG A 164 6.377 -12.526 6.678 1.00 0.00 C ATOM 382 NE ARG A 164 5.623 -13.150 5.592 1.00 0.00 N ATOM 383 CZ ARG A 164 5.551 -12.657 4.355 1.00 0.00 C ATOM 384 NH1 ARG A 164 6.256 -11.584 4.016 1.00 0.00 N ATOM 385 NH2 ARG A 164 4.775 -13.240 3.450 1.00 0.00 N ATOM 0 H ARG A 164 5.579 -8.517 8.318 1.00 0.00 H new ATOM 0 HA ARG A 164 4.446 -10.769 9.862 1.00 0.00 H new ATOM 0 HB2 ARG A 164 7.023 -10.462 8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 164 6.672 -11.823 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 164 4.703 -12.402 8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 164 4.932 -10.981 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 164 7.140 -11.867 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.895 -13.293 7.254 1.00 0.00 H new ATOM 0 HE ARG A 164 5.121 -14.015 5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 164 6.858 -11.131 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 164 6.196 -11.213 3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 164 4.232 -14.067 3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 164 4.721 -12.861 2.504 1.00 0.00 H new ATOM 399 N PRO A 165 7.018 -8.826 10.783 1.00 0.00 N ATOM 400 CA PRO A 165 7.586 -8.220 11.986 1.00 0.00 C ATOM 401 C PRO A 165 6.596 -7.255 12.621 1.00 0.00 C ATOM 402 O PRO A 165 5.656 -6.801 11.968 1.00 0.00 O ATOM 403 CB PRO A 165 8.825 -7.476 11.478 1.00 0.00 C ATOM 404 CG PRO A 165 8.549 -7.210 10.041 1.00 0.00 C ATOM 405 CD PRO A 165 7.697 -8.353 9.559 1.00 0.00 C ATOM 0 HA PRO A 165 7.826 -8.955 12.754 1.00 0.00 H new ATOM 0 HB2 PRO A 165 8.982 -6.548 12.028 1.00 0.00 H new ATOM 0 HB3 PRO A 165 9.726 -8.077 11.603 1.00 0.00 H new ATOM 0 HG2 PRO A 165 8.033 -6.259 9.913 1.00 0.00 H new ATOM 0 HG3 PRO A 165 9.476 -7.148 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 165 6.981 -8.028 8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 165 8.301 -9.140 9.107 1.00 0.00 H new