USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 184 HIS : no HD1:sc= -0.0919 X(o=0.29,f=-0.16) USER MOD Set 1.2: A 188 THR OG1 : rot 145:sc= 0.386 USER MOD Set 2.1: A 159 HIS : no HD1:sc= 0.168 K(o=0.43,f=-3) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.263 X(o=0.43,f=0.21) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN :FLIP amide:sc= -0.0399 F(o=-0.78,f=-0.04) USER MOD Single : A 160 LYS NZ :NH3+ 165:sc= -0.0873 (180deg=-0.4) USER MOD Single : A 171 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0206) USER MOD Single : A 177 THR OG1 : rot -47:sc= 1.23 USER MOD Single : A 179 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.2) USER MOD Single : A 183 ASN : amide:sc= -0.0755 X(o=-0.076,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 165:sc= -0.444 (180deg=-0.815) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.658 -10.838 -12.067 1.00 0.00 N ATOM 89 CA TRP A 147 14.601 -10.050 -12.866 1.00 0.00 C ATOM 90 C TRP A 147 14.250 -10.139 -14.357 1.00 0.00 C ATOM 91 O TRP A 147 13.497 -11.018 -14.782 1.00 0.00 O ATOM 92 CB TRP A 147 16.046 -10.513 -12.613 1.00 0.00 C ATOM 93 CG TRP A 147 16.756 -9.784 -11.518 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.615 -10.012 -10.202 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.736 -8.709 -11.621 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.426 -9.177 -9.469 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.148 -8.344 -10.301 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.326 -8.002 -12.693 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.090 -7.342 -10.062 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.274 -6.987 -12.453 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.656 -6.661 -11.144 1.00 0.00 C ATOM 0 HA TRP A 147 14.523 -9.007 -12.561 1.00 0.00 H new ATOM 0 HB2 TRP A 147 16.035 -11.577 -12.375 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.616 -10.399 -13.535 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.953 -10.752 -9.776 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.486 -9.174 -8.451 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.047 -8.242 -13.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.379 -7.095 -9.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.710 -6.455 -13.286 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.387 -5.885 -10.972 1.00 0.00 H new ATOM 112 N THR A 148 14.799 -9.213 -15.152 1.00 0.00 N ATOM 113 CA THR A 148 14.557 -9.177 -16.584 1.00 0.00 C ATOM 114 C THR A 148 15.782 -9.710 -17.317 1.00 0.00 C ATOM 115 O THR A 148 16.901 -9.271 -17.058 1.00 0.00 O ATOM 116 CB THR A 148 14.251 -7.739 -17.008 1.00 0.00 C ATOM 117 OG1 THR A 148 15.139 -6.860 -16.358 1.00 0.00 O ATOM 118 CG2 THR A 148 12.815 -7.381 -16.624 1.00 0.00 C ATOM 0 H THR A 148 15.418 -8.476 -14.816 1.00 0.00 H new ATOM 0 HA THR A 148 13.702 -9.804 -16.837 1.00 0.00 H new ATOM 0 HB THR A 148 14.370 -7.650 -18.088 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.945 -5.939 -16.630 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.602 -6.356 -16.928 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.124 -8.059 -17.125 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.694 -7.472 -15.545 1.00 0.00 H new ATOM 126 N GLU A 149 15.556 -10.657 -18.234 1.00 0.00 N ATOM 127 CA GLU A 149 16.620 -11.271 -19.021 1.00 0.00 C ATOM 128 C GLU A 149 17.515 -10.201 -19.660 1.00 0.00 C ATOM 129 O GLU A 149 18.720 -10.410 -19.804 1.00 0.00 O ATOM 130 CB GLU A 149 16.012 -12.195 -20.096 1.00 0.00 C ATOM 131 CG GLU A 149 14.699 -11.616 -20.657 1.00 0.00 C ATOM 132 CD GLU A 149 13.488 -12.185 -19.918 1.00 0.00 C ATOM 133 OE1 GLU A 149 13.032 -13.270 -20.331 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.042 -11.524 -18.950 1.00 0.00 O ATOM 0 H GLU A 149 14.626 -11.017 -18.448 1.00 0.00 H new ATOM 0 HA GLU A 149 17.244 -11.871 -18.358 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.727 -12.332 -20.907 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.824 -13.179 -19.668 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.708 -10.530 -20.565 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.621 -11.845 -21.720 1.00 0.00 H new ATOM 141 N GLU A 150 16.930 -9.058 -20.040 1.00 0.00 N ATOM 142 CA GLU A 150 17.682 -7.970 -20.644 1.00 0.00 C ATOM 143 C GLU A 150 18.779 -7.501 -19.683 1.00 0.00 C ATOM 144 O GLU A 150 19.939 -7.383 -20.074 1.00 0.00 O ATOM 145 CB GLU A 150 16.724 -6.824 -20.989 1.00 0.00 C ATOM 146 CG GLU A 150 17.458 -5.760 -21.808 1.00 0.00 C ATOM 147 CD GLU A 150 16.498 -4.663 -22.252 1.00 0.00 C ATOM 148 OE1 GLU A 150 15.811 -4.889 -23.271 1.00 0.00 O ATOM 149 OE2 GLU A 150 16.470 -3.620 -21.564 1.00 0.00 O ATOM 0 H GLU A 150 15.933 -8.870 -19.936 1.00 0.00 H new ATOM 0 HA GLU A 150 18.160 -8.313 -21.562 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.873 -7.207 -21.553 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.327 -6.382 -20.075 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.262 -5.327 -21.213 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.920 -6.221 -22.681 1.00 0.00 H new ATOM 156 N GLU A 151 18.408 -7.240 -18.423 1.00 0.00 N ATOM 157 CA GLU A 151 19.357 -6.792 -17.414 1.00 0.00 C ATOM 158 C GLU A 151 20.334 -7.920 -17.081 1.00 0.00 C ATOM 159 O GLU A 151 21.530 -7.678 -16.916 1.00 0.00 O ATOM 160 CB GLU A 151 18.605 -6.352 -16.154 1.00 0.00 C ATOM 161 CG GLU A 151 17.735 -5.126 -16.457 1.00 0.00 C ATOM 162 CD GLU A 151 17.000 -4.644 -15.208 1.00 0.00 C ATOM 163 OE1 GLU A 151 17.445 -5.011 -14.098 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.004 -3.910 -15.381 1.00 0.00 O ATOM 0 H GLU A 151 17.451 -7.334 -18.084 1.00 0.00 H new ATOM 0 HA GLU A 151 19.921 -5.944 -17.802 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.981 -7.169 -15.790 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.315 -6.116 -15.362 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.359 -4.322 -16.847 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.012 -5.374 -17.234 1.00 0.00 H new ATOM 171 N ASP A 152 19.822 -9.153 -16.983 1.00 0.00 N ATOM 172 CA ASP A 152 20.647 -10.313 -16.669 1.00 0.00 C ATOM 173 C ASP A 152 21.779 -10.440 -17.686 1.00 0.00 C ATOM 174 O ASP A 152 22.884 -10.839 -17.331 1.00 0.00 O ATOM 175 CB ASP A 152 19.783 -11.579 -16.659 1.00 0.00 C ATOM 176 CG ASP A 152 18.656 -11.478 -15.634 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.792 -10.640 -14.717 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.678 -12.242 -15.790 1.00 0.00 O ATOM 0 H ASP A 152 18.834 -9.368 -17.119 1.00 0.00 H new ATOM 0 HA ASP A 152 21.086 -10.185 -15.680 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.361 -11.741 -17.651 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.406 -12.444 -16.433 1.00 0.00 H new ATOM 183 N ARG A 153 21.504 -10.094 -18.951 1.00 0.00 N ATOM 184 CA ARG A 153 22.509 -10.152 -20.003 1.00 0.00 C ATOM 185 C ARG A 153 23.678 -9.222 -19.662 1.00 0.00 C ATOM 186 O ARG A 153 24.835 -9.570 -19.895 1.00 0.00 O ATOM 187 CB ARG A 153 21.870 -9.757 -21.338 1.00 0.00 C ATOM 188 CG ARG A 153 22.820 -10.097 -22.489 1.00 0.00 C ATOM 189 CD ARG A 153 22.151 -9.756 -23.823 1.00 0.00 C ATOM 190 NE ARG A 153 23.021 -10.105 -24.956 1.00 0.00 N ATOM 191 CZ ARG A 153 23.154 -11.360 -25.428 1.00 0.00 C ATOM 192 NH1 ARG A 153 22.501 -12.376 -24.846 1.00 0.00 N ATOM 193 NH2 ARG A 153 23.944 -11.593 -26.484 1.00 0.00 N ATOM 0 H ARG A 153 20.589 -9.771 -19.264 1.00 0.00 H new ATOM 0 HA ARG A 153 22.896 -11.168 -20.086 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.924 -10.282 -21.468 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.646 -8.690 -21.343 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.750 -9.539 -22.384 1.00 0.00 H new ATOM 0 HG3 ARG A 153 23.079 -11.155 -22.460 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.206 -10.293 -23.907 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.917 -8.692 -23.854 1.00 0.00 H new ATOM 0 HE ARG A 153 23.551 -9.359 -25.407 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.899 -12.201 -24.041 1.00 0.00 H new ATOM 0 HH12 ARG A 153 22.606 -13.324 -25.208 1.00 0.00 H new ATOM 0 HH21 ARG A 153 24.442 -10.822 -26.928 1.00 0.00 H new ATOM 0 HH22 ARG A 153 24.047 -12.542 -26.844 1.00 0.00 H new ATOM 207 N ILE A 154 23.376 -8.041 -19.106 1.00 0.00 N ATOM 208 CA ILE A 154 24.405 -7.079 -18.736 1.00 0.00 C ATOM 209 C ILE A 154 25.247 -7.655 -17.599 1.00 0.00 C ATOM 210 O ILE A 154 26.475 -7.631 -17.662 1.00 0.00 O ATOM 211 CB ILE A 154 23.760 -5.746 -18.313 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.784 -5.239 -19.397 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.856 -4.701 -18.068 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.456 -5.199 -20.775 1.00 0.00 C ATOM 0 H ILE A 154 22.424 -7.735 -18.905 1.00 0.00 H new ATOM 0 HA ILE A 154 25.049 -6.886 -19.594 1.00 0.00 H new ATOM 0 HB ILE A 154 23.196 -5.908 -17.394 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.909 -5.889 -19.435 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.430 -4.242 -19.133 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.399 -3.758 -17.769 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.521 -5.049 -17.277 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.428 -4.552 -18.984 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.744 -4.838 -21.517 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.315 -4.529 -20.741 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.787 -6.201 -21.048 1.00 0.00 H new ATOM 226 N ILE A 155 24.582 -8.179 -16.559 1.00 0.00 N ATOM 227 CA ILE A 155 25.275 -8.765 -15.418 1.00 0.00 C ATOM 228 C ILE A 155 26.137 -9.936 -15.891 1.00 0.00 C ATOM 229 O ILE A 155 27.241 -10.117 -15.406 1.00 0.00 O ATOM 230 CB ILE A 155 24.252 -9.224 -14.363 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.521 -8.003 -13.786 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.979 -9.961 -13.226 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.191 -8.432 -13.168 1.00 0.00 C ATOM 0 H ILE A 155 23.565 -8.206 -16.491 1.00 0.00 H new ATOM 0 HA ILE A 155 25.924 -8.019 -14.960 1.00 0.00 H new ATOM 0 HB ILE A 155 23.531 -9.894 -14.832 1.00 0.00 H new ATOM 0 HG12 ILE A 155 24.142 -7.520 -13.032 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.346 -7.269 -14.572 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.253 -10.285 -12.480 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.498 -10.831 -13.629 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.702 -9.290 -12.761 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.680 -7.559 -12.762 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.567 -8.894 -13.933 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.376 -9.149 -12.368 1.00 0.00 H new ATOM 245 N TYR A 156 25.624 -10.726 -16.839 1.00 0.00 N ATOM 246 CA TYR A 156 26.342 -11.873 -17.375 1.00 0.00 C ATOM 247 C TYR A 156 27.627 -11.418 -18.064 1.00 0.00 C ATOM 248 O TYR A 156 28.706 -11.937 -17.771 1.00 0.00 O ATOM 249 CB TYR A 156 25.424 -12.616 -18.352 1.00 0.00 C ATOM 250 CG TYR A 156 26.087 -13.785 -19.047 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.279 -14.995 -18.359 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.502 -13.666 -20.387 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.884 -16.084 -19.008 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.106 -14.757 -21.035 1.00 0.00 C ATOM 255 CZ TYR A 156 27.295 -15.966 -20.346 1.00 0.00 C ATOM 256 OH TYR A 156 27.881 -17.027 -20.972 1.00 0.00 O ATOM 0 H TYR A 156 24.702 -10.584 -17.252 1.00 0.00 H new ATOM 0 HA TYR A 156 26.624 -12.548 -16.567 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.549 -12.976 -17.811 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.066 -11.914 -19.105 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.961 -15.088 -17.331 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.356 -12.736 -20.917 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.033 -17.013 -18.478 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.425 -14.666 -22.063 1.00 0.00 H new ATOM 0 HH TYR A 156 28.105 -16.780 -21.894 1.00 0.00 H new ATOM 266 N GLN A 157 27.512 -10.451 -18.977 1.00 0.00 N ATOM 267 CA GLN A 157 28.659 -9.942 -19.713 1.00 0.00 C ATOM 268 C GLN A 157 29.685 -9.339 -18.750 1.00 0.00 C ATOM 269 O GLN A 157 30.885 -9.561 -18.906 1.00 0.00 O ATOM 270 CB GLN A 157 28.179 -8.898 -20.730 1.00 0.00 C ATOM 271 CG GLN A 157 29.327 -8.506 -21.674 1.00 0.00 C ATOM 272 CD GLN A 157 29.853 -7.108 -21.357 1.00 0.00 C ATOM 273 OE1 GLN A 157 30.755 -7.009 -20.381 1.00 0.00 O flip ATOM 274 NE2 GLN A 157 29.451 -6.135 -21.988 1.00 0.00 N flip ATOM 0 H GLN A 157 26.627 -10.006 -19.222 1.00 0.00 H new ATOM 0 HA GLN A 157 29.145 -10.759 -20.246 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.345 -9.299 -21.307 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.810 -8.015 -20.208 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.137 -9.230 -21.586 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.980 -8.541 -22.707 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.759 -6.257 -22.728 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.809 -5.204 -21.773 1.00 0.00 H new ATOM 283 N ALA A 158 29.216 -8.569 -17.763 1.00 0.00 N ATOM 284 CA ALA A 158 30.097 -7.916 -16.804 1.00 0.00 C ATOM 285 C ALA A 158 30.748 -8.943 -15.874 1.00 0.00 C ATOM 286 O ALA A 158 31.936 -8.841 -15.573 1.00 0.00 O ATOM 287 CB ALA A 158 29.289 -6.900 -15.996 1.00 0.00 C ATOM 0 H ALA A 158 28.224 -8.385 -17.611 1.00 0.00 H new ATOM 0 HA ALA A 158 30.895 -7.404 -17.342 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.941 -6.407 -15.276 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.863 -6.156 -16.669 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.486 -7.412 -15.467 1.00 0.00 H new ATOM 293 N HIS A 159 29.970 -9.924 -15.414 1.00 0.00 N ATOM 294 CA HIS A 159 30.458 -10.935 -14.489 1.00 0.00 C ATOM 295 C HIS A 159 31.576 -11.756 -15.124 1.00 0.00 C ATOM 296 O HIS A 159 32.576 -12.032 -14.478 1.00 0.00 O ATOM 297 CB HIS A 159 29.301 -11.843 -14.063 1.00 0.00 C ATOM 298 CG HIS A 159 29.734 -12.898 -13.081 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.289 -14.111 -13.473 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.714 -12.948 -11.711 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.562 -14.796 -12.345 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.234 -14.140 -11.233 1.00 0.00 N ATOM 0 H HIS A 159 28.990 -10.036 -15.673 1.00 0.00 H new ATOM 0 HA HIS A 159 30.866 -10.439 -13.608 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.512 -11.237 -13.618 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.875 -12.323 -14.944 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.339 -12.155 -11.081 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.004 -15.781 -12.343 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.340 -14.442 -10.265 1.00 0.00 H new ATOM 310 N LYS A 160 31.412 -12.156 -16.387 1.00 0.00 N ATOM 311 CA LYS A 160 32.421 -12.965 -17.060 1.00 0.00 C ATOM 312 C LYS A 160 33.689 -12.147 -17.343 1.00 0.00 C ATOM 313 O LYS A 160 34.708 -12.720 -17.722 1.00 0.00 O ATOM 314 CB LYS A 160 31.841 -13.541 -18.354 1.00 0.00 C ATOM 315 CG LYS A 160 30.856 -14.667 -18.008 1.00 0.00 C ATOM 316 CD LYS A 160 30.412 -15.411 -19.278 1.00 0.00 C ATOM 317 CE LYS A 160 31.608 -16.058 -19.997 1.00 0.00 C ATOM 318 NZ LYS A 160 32.504 -16.757 -19.054 1.00 0.00 N ATOM 0 H LYS A 160 30.596 -11.933 -16.957 1.00 0.00 H new ATOM 0 HA LYS A 160 32.704 -13.787 -16.403 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.334 -12.759 -18.919 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.642 -13.924 -18.987 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.325 -15.367 -17.316 1.00 0.00 H new ATOM 0 HG3 LYS A 160 29.985 -14.252 -17.501 1.00 0.00 H new ATOM 0 HD2 LYS A 160 29.684 -16.179 -19.016 1.00 0.00 H new ATOM 0 HD3 LYS A 160 29.913 -14.716 -19.953 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.244 -16.764 -20.744 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.169 -15.291 -20.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 33.144 -17.384 -19.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.064 -16.059 -18.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.937 -17.322 -18.390 1.00 0.00 H new ATOM 332 N ARG A 161 33.632 -10.818 -17.158 1.00 0.00 N ATOM 333 CA ARG A 161 34.783 -9.954 -17.390 1.00 0.00 C ATOM 334 C ARG A 161 35.494 -9.659 -16.068 1.00 0.00 C ATOM 335 O ARG A 161 36.703 -9.852 -15.960 1.00 0.00 O ATOM 336 CB ARG A 161 34.320 -8.650 -18.052 1.00 0.00 C ATOM 337 CG ARG A 161 33.853 -8.921 -19.487 1.00 0.00 C ATOM 338 CD ARG A 161 35.051 -8.895 -20.443 1.00 0.00 C ATOM 339 NE ARG A 161 34.628 -9.169 -21.825 1.00 0.00 N ATOM 340 CZ ARG A 161 33.991 -8.268 -22.598 1.00 0.00 C ATOM 341 NH1 ARG A 161 33.721 -7.041 -22.129 1.00 0.00 N ATOM 342 NH2 ARG A 161 33.625 -8.600 -23.843 1.00 0.00 N ATOM 0 H ARG A 161 32.795 -10.325 -16.847 1.00 0.00 H new ATOM 0 HA ARG A 161 35.485 -10.459 -18.053 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.507 -8.209 -17.475 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.136 -7.927 -18.058 1.00 0.00 H new ATOM 0 HG2 ARG A 161 33.357 -9.890 -19.540 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.121 -8.171 -19.788 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.539 -7.921 -20.394 1.00 0.00 H new ATOM 0 HD3 ARG A 161 35.787 -9.636 -20.130 1.00 0.00 H new ATOM 0 HE ARG A 161 34.827 -10.089 -22.218 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.998 -6.785 -21.181 1.00 0.00 H new ATOM 0 HH12 ARG A 161 33.238 -6.364 -22.720 1.00 0.00 H new ATOM 0 HH21 ARG A 161 33.829 -9.532 -24.203 1.00 0.00 H new ATOM 0 HH22 ARG A 161 33.143 -7.920 -24.431 1.00 0.00 H new ATOM 356 N LEU A 162 34.742 -9.179 -15.068 1.00 0.00 N ATOM 357 CA LEU A 162 35.308 -8.817 -13.772 1.00 0.00 C ATOM 358 C LEU A 162 35.288 -10.016 -12.823 1.00 0.00 C ATOM 359 O LEU A 162 36.301 -10.325 -12.194 1.00 0.00 O ATOM 360 CB LEU A 162 34.510 -7.645 -13.170 1.00 0.00 C ATOM 361 CG LEU A 162 34.422 -6.474 -14.164 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.597 -5.347 -13.540 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.824 -5.953 -14.495 1.00 0.00 C ATOM 0 H LEU A 162 33.735 -9.034 -15.138 1.00 0.00 H new ATOM 0 HA LEU A 162 36.345 -8.511 -13.911 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.507 -7.980 -12.907 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.987 -7.310 -12.249 1.00 0.00 H new ATOM 0 HG LEU A 162 33.947 -6.820 -15.082 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.531 -4.514 -14.240 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.595 -5.712 -13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 162 34.076 -5.011 -12.621 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.747 -5.125 -15.199 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.309 -5.609 -13.582 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.414 -6.754 -14.940 1.00 0.00 H new ATOM 375 N GLY A 163 34.129 -10.676 -12.714 1.00 0.00 N ATOM 376 CA GLY A 163 33.939 -11.809 -11.815 1.00 0.00 C ATOM 377 C GLY A 163 32.792 -11.493 -10.865 1.00 0.00 C ATOM 378 O GLY A 163 31.841 -10.815 -11.251 1.00 0.00 O ATOM 0 H GLY A 163 33.296 -10.434 -13.251 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.719 -12.711 -12.386 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.853 -12.002 -11.253 1.00 0.00 H new ATOM 382 N ASN A 164 32.881 -11.964 -9.615 1.00 0.00 N ATOM 383 CA ASN A 164 31.854 -11.691 -8.611 1.00 0.00 C ATOM 384 C ASN A 164 32.081 -10.298 -8.010 1.00 0.00 C ATOM 385 O ASN A 164 31.904 -10.101 -6.809 1.00 0.00 O ATOM 386 CB ASN A 164 31.899 -12.766 -7.517 1.00 0.00 C ATOM 387 CG ASN A 164 31.673 -14.160 -8.097 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.538 -14.612 -8.203 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.758 -14.843 -8.468 1.00 0.00 N ATOM 0 H ASN A 164 33.655 -12.536 -9.278 1.00 0.00 H new ATOM 0 HA ASN A 164 30.870 -11.714 -9.079 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.864 -12.733 -7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 164 31.138 -12.555 -6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.662 -15.781 -8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.683 -14.427 -8.362 1.00 0.00 H new ATOM 396 N ARG A 165 32.477 -9.331 -8.851 1.00 0.00 N ATOM 397 CA ARG A 165 32.738 -7.972 -8.410 1.00 0.00 C ATOM 398 C ARG A 165 31.441 -7.179 -8.489 1.00 0.00 C ATOM 399 O ARG A 165 31.327 -6.234 -9.271 1.00 0.00 O ATOM 400 CB ARG A 165 33.822 -7.335 -9.297 1.00 0.00 C ATOM 401 CG ARG A 165 35.216 -7.850 -8.906 1.00 0.00 C ATOM 402 CD ARG A 165 35.346 -9.343 -9.231 1.00 0.00 C ATOM 403 NE ARG A 165 36.738 -9.702 -9.535 1.00 0.00 N ATOM 404 CZ ARG A 165 37.707 -9.773 -8.606 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.428 -9.535 -7.317 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.958 -10.084 -8.971 1.00 0.00 N ATOM 0 H ARG A 165 32.622 -9.478 -9.850 1.00 0.00 H new ATOM 0 HA ARG A 165 33.099 -7.971 -7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.624 -7.566 -10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.789 -6.250 -9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.981 -7.287 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.385 -7.687 -7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 165 34.992 -9.934 -8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 165 34.710 -9.589 -10.081 1.00 0.00 H new ATOM 0 HE ARG A 165 36.982 -9.909 -10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.476 -9.299 -7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.167 -9.590 -6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.173 -10.266 -9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.696 -10.139 -8.269 1.00 0.00 H new ATOM 420 N TRP A 166 30.457 -7.570 -7.673 1.00 0.00 N ATOM 421 CA TRP A 166 29.163 -6.908 -7.657 1.00 0.00 C ATOM 422 C TRP A 166 29.322 -5.443 -7.290 1.00 0.00 C ATOM 423 O TRP A 166 28.433 -4.667 -7.543 1.00 0.00 O ATOM 424 CB TRP A 166 28.228 -7.589 -6.663 1.00 0.00 C ATOM 425 CG TRP A 166 28.376 -9.063 -6.574 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.927 -9.706 -5.548 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.992 -10.095 -7.526 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.927 -11.063 -5.756 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.357 -11.366 -6.979 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.374 -10.098 -8.796 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.126 -12.564 -7.654 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.138 -11.308 -9.482 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.517 -12.536 -8.912 1.00 0.00 C ATOM 0 H TRP A 166 30.540 -8.345 -7.015 1.00 0.00 H new ATOM 0 HA TRP A 166 28.731 -6.979 -8.655 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.398 -7.161 -5.675 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.199 -7.358 -6.938 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.323 -9.223 -4.667 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.296 -11.752 -5.100 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.078 -9.162 -9.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.415 -13.505 -7.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.663 -11.291 -10.452 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.338 -13.458 -9.446 1.00 0.00 H new ATOM 444 N ALA A 167 30.454 -5.063 -6.692 1.00 0.00 N ATOM 445 CA ALA A 167 30.693 -3.678 -6.334 1.00 0.00 C ATOM 446 C ALA A 167 30.579 -2.800 -7.582 1.00 0.00 C ATOM 447 O ALA A 167 29.900 -1.779 -7.561 1.00 0.00 O ATOM 448 CB ALA A 167 32.082 -3.549 -5.705 1.00 0.00 C ATOM 0 H ALA A 167 31.213 -5.700 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 167 29.949 -3.348 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.264 -2.509 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 167 32.136 -4.171 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.837 -3.876 -6.420 1.00 0.00 H new ATOM 454 N GLU A 168 31.245 -3.207 -8.668 1.00 0.00 N ATOM 455 CA GLU A 168 31.241 -2.448 -9.909 1.00 0.00 C ATOM 456 C GLU A 168 29.905 -2.610 -10.631 1.00 0.00 C ATOM 457 O GLU A 168 29.324 -1.625 -11.085 1.00 0.00 O ATOM 458 CB GLU A 168 32.406 -2.912 -10.790 1.00 0.00 C ATOM 459 CG GLU A 168 33.724 -2.841 -10.003 1.00 0.00 C ATOM 460 CD GLU A 168 33.878 -1.494 -9.300 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.092 -0.498 -10.022 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.772 -1.487 -8.052 1.00 0.00 O ATOM 0 H GLU A 168 31.795 -4.065 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 168 31.368 -1.388 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.231 -3.933 -11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.471 -2.286 -11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.754 -3.644 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.563 -2.998 -10.680 1.00 0.00 H new ATOM 469 N ILE A 169 29.412 -3.849 -10.738 1.00 0.00 N ATOM 470 CA ILE A 169 28.136 -4.111 -11.402 1.00 0.00 C ATOM 471 C ILE A 169 27.026 -3.312 -10.698 1.00 0.00 C ATOM 472 O ILE A 169 26.134 -2.767 -11.346 1.00 0.00 O ATOM 473 CB ILE A 169 27.826 -5.621 -11.373 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.031 -6.429 -11.894 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.608 -5.908 -12.259 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.751 -7.928 -11.759 1.00 0.00 C ATOM 0 H ILE A 169 29.877 -4.681 -10.374 1.00 0.00 H new ATOM 0 HA ILE A 169 28.192 -3.797 -12.444 1.00 0.00 H new ATOM 0 HB ILE A 169 27.619 -5.916 -10.344 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.224 -6.179 -12.937 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.927 -6.166 -11.332 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.387 -6.975 -12.240 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.748 -5.353 -11.886 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.822 -5.600 -13.283 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.607 -8.493 -12.129 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.580 -8.173 -10.711 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.866 -8.187 -12.341 1.00 0.00 H new ATOM 488 N ALA A 170 27.098 -3.251 -9.365 1.00 0.00 N ATOM 489 CA ALA A 170 26.128 -2.539 -8.547 1.00 0.00 C ATOM 490 C ALA A 170 26.250 -1.033 -8.779 1.00 0.00 C ATOM 491 O ALA A 170 25.239 -0.346 -8.883 1.00 0.00 O ATOM 492 CB ALA A 170 26.356 -2.887 -7.069 1.00 0.00 C ATOM 0 H ALA A 170 27.838 -3.699 -8.825 1.00 0.00 H new ATOM 0 HA ALA A 170 25.119 -2.842 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.630 -2.355 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.235 -3.961 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.364 -2.593 -6.777 1.00 0.00 H new ATOM 498 N LYS A 171 27.486 -0.516 -8.869 1.00 0.00 N ATOM 499 CA LYS A 171 27.706 0.905 -9.128 1.00 0.00 C ATOM 500 C LYS A 171 27.057 1.285 -10.460 1.00 0.00 C ATOM 501 O LYS A 171 26.478 2.362 -10.584 1.00 0.00 O ATOM 502 CB LYS A 171 29.210 1.205 -9.161 1.00 0.00 C ATOM 503 CG LYS A 171 29.758 1.310 -7.734 1.00 0.00 C ATOM 504 CD LYS A 171 31.292 1.267 -7.772 1.00 0.00 C ATOM 505 CE LYS A 171 31.845 0.917 -6.387 1.00 0.00 C ATOM 506 NZ LYS A 171 31.503 1.952 -5.396 1.00 0.00 N ATOM 0 H LYS A 171 28.341 -1.063 -8.766 1.00 0.00 H new ATOM 0 HA LYS A 171 27.254 1.495 -8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.734 0.418 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.391 2.136 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.421 2.237 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.375 0.491 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.625 0.529 -8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.682 2.232 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.444 -0.044 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.928 0.808 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.002 1.758 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.788 2.885 -5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 30.477 1.945 -5.227 1.00 0.00 H new ATOM 520 N LEU A 172 27.157 0.391 -11.455 1.00 0.00 N ATOM 521 CA LEU A 172 26.574 0.623 -12.770 1.00 0.00 C ATOM 522 C LEU A 172 25.045 0.517 -12.706 1.00 0.00 C ATOM 523 O LEU A 172 24.355 1.112 -13.531 1.00 0.00 O ATOM 524 CB LEU A 172 27.144 -0.396 -13.766 1.00 0.00 C ATOM 525 CG LEU A 172 28.630 -0.107 -14.036 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.295 -1.358 -14.615 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.767 1.046 -15.036 1.00 0.00 C ATOM 0 H LEU A 172 27.641 -0.502 -11.365 1.00 0.00 H new ATOM 0 HA LEU A 172 26.828 1.629 -13.103 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.029 -1.405 -13.370 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.583 -0.354 -14.700 1.00 0.00 H new ATOM 0 HG LEU A 172 29.114 0.170 -13.100 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.348 -1.154 -14.807 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.208 -2.179 -13.903 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.803 -1.633 -15.548 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.823 1.244 -15.221 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.279 0.776 -15.972 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.297 1.940 -14.627 1.00 0.00 H new ATOM 539 N LEU A 173 24.519 -0.240 -11.724 1.00 0.00 N ATOM 540 CA LEU A 173 23.077 -0.418 -11.554 1.00 0.00 C ATOM 541 C LEU A 173 22.661 0.018 -10.139 1.00 0.00 C ATOM 542 O LEU A 173 22.366 -0.832 -9.292 1.00 0.00 O ATOM 543 CB LEU A 173 22.719 -1.895 -11.785 1.00 0.00 C ATOM 544 CG LEU A 173 23.083 -2.332 -13.215 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.940 -3.852 -13.327 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.148 -1.662 -14.228 1.00 0.00 C ATOM 0 H LEU A 173 25.082 -0.739 -11.035 1.00 0.00 H new ATOM 0 HA LEU A 173 22.543 0.197 -12.278 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.248 -2.518 -11.064 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.653 -2.046 -11.615 1.00 0.00 H new ATOM 0 HG LEU A 173 24.110 -2.035 -13.428 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.197 -4.168 -14.338 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.610 -4.334 -12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.911 -4.138 -13.108 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.416 -1.979 -15.236 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.118 -1.950 -14.019 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.244 -0.579 -14.151 1.00 0.00 H new ATOM 558 N PRO A 174 22.631 1.342 -9.870 1.00 0.00 N ATOM 559 CA PRO A 174 22.272 1.867 -8.566 1.00 0.00 C ATOM 560 C PRO A 174 20.845 1.472 -8.184 1.00 0.00 C ATOM 561 O PRO A 174 20.554 1.265 -7.010 1.00 0.00 O ATOM 562 CB PRO A 174 22.416 3.388 -8.671 1.00 0.00 C ATOM 563 CG PRO A 174 22.748 3.706 -10.133 1.00 0.00 C ATOM 564 CD PRO A 174 22.954 2.367 -10.841 1.00 0.00 C ATOM 0 HA PRO A 174 22.916 1.461 -7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.494 3.885 -8.368 1.00 0.00 H new ATOM 0 HB3 PRO A 174 23.204 3.747 -8.009 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.940 4.269 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.645 4.321 -10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.312 2.288 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.982 2.264 -11.188 1.00 0.00 H new ATOM 572 N GLY A 175 19.953 1.369 -9.180 1.00 0.00 N ATOM 573 CA GLY A 175 18.559 1.018 -8.940 1.00 0.00 C ATOM 574 C GLY A 175 18.389 -0.485 -8.685 1.00 0.00 C ATOM 575 O GLY A 175 17.262 -0.979 -8.689 1.00 0.00 O ATOM 0 H GLY A 175 20.181 1.526 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.185 1.577 -8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.956 1.312 -9.799 1.00 0.00 H new ATOM 579 N ARG A 176 19.499 -1.212 -8.468 1.00 0.00 N ATOM 580 CA ARG A 176 19.455 -2.648 -8.203 1.00 0.00 C ATOM 581 C ARG A 176 20.311 -2.972 -6.979 1.00 0.00 C ATOM 582 O ARG A 176 19.889 -3.743 -6.127 1.00 0.00 O ATOM 583 CB ARG A 176 19.968 -3.421 -9.427 1.00 0.00 C ATOM 584 CG ARG A 176 19.126 -3.105 -10.676 1.00 0.00 C ATOM 585 CD ARG A 176 17.741 -3.753 -10.569 1.00 0.00 C ATOM 586 NE ARG A 176 16.976 -3.551 -11.810 1.00 0.00 N ATOM 587 CZ ARG A 176 16.135 -2.517 -12.011 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.971 -1.574 -11.070 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.458 -2.427 -13.160 1.00 0.00 N ATOM 0 H ARG A 176 20.440 -0.819 -8.473 1.00 0.00 H new ATOM 0 HA ARG A 176 18.425 -2.946 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.011 -3.163 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 176 19.936 -4.492 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.021 -2.026 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.636 -3.469 -11.567 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.847 -4.820 -10.371 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.197 -3.325 -9.727 1.00 0.00 H new ATOM 0 HE ARG A 176 17.089 -4.232 -12.561 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.486 -1.635 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.332 -0.796 -11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.579 -3.139 -13.880 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.820 -1.646 -13.316 1.00 0.00 H new ATOM 603 N THR A 177 21.514 -2.371 -6.913 1.00 0.00 N ATOM 604 CA THR A 177 22.477 -2.572 -5.818 1.00 0.00 C ATOM 605 C THR A 177 23.014 -4.008 -5.827 1.00 0.00 C ATOM 606 O THR A 177 22.455 -4.894 -6.478 1.00 0.00 O ATOM 607 CB THR A 177 21.877 -2.206 -4.440 1.00 0.00 C ATOM 608 OG1 THR A 177 21.133 -3.287 -3.918 1.00 0.00 O ATOM 609 CG2 THR A 177 20.981 -0.968 -4.554 1.00 0.00 C ATOM 0 H THR A 177 21.847 -1.725 -7.628 1.00 0.00 H new ATOM 0 HA THR A 177 23.312 -1.892 -5.988 1.00 0.00 H new ATOM 0 HB THR A 177 22.701 -1.985 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.537 -3.639 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.568 -0.726 -3.575 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.569 -0.126 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.168 -1.171 -5.251 1.00 0.00 H new ATOM 617 N ASP A 178 24.118 -4.228 -5.101 1.00 0.00 N ATOM 618 CA ASP A 178 24.766 -5.527 -5.039 1.00 0.00 C ATOM 619 C ASP A 178 23.855 -6.556 -4.378 1.00 0.00 C ATOM 620 O ASP A 178 23.956 -7.734 -4.674 1.00 0.00 O ATOM 621 CB ASP A 178 26.088 -5.407 -4.266 1.00 0.00 C ATOM 622 CG ASP A 178 25.877 -5.602 -2.768 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.391 -4.641 -2.135 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.204 -6.714 -2.287 1.00 0.00 O ATOM 0 H ASP A 178 24.579 -3.508 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 178 24.974 -5.865 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.796 -6.150 -4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.530 -4.427 -4.448 1.00 0.00 H new ATOM 629 N ASN A 179 22.974 -6.116 -3.478 1.00 0.00 N ATOM 630 CA ASN A 179 22.087 -7.024 -2.774 1.00 0.00 C ATOM 631 C ASN A 179 21.208 -7.784 -3.763 1.00 0.00 C ATOM 632 O ASN A 179 21.207 -9.015 -3.771 1.00 0.00 O ATOM 633 CB ASN A 179 21.230 -6.232 -1.783 1.00 0.00 C ATOM 634 CG ASN A 179 20.237 -7.147 -1.073 1.00 0.00 C ATOM 635 OD1 ASN A 179 19.060 -7.177 -1.420 1.00 0.00 O ATOM 636 ND2 ASN A 179 20.715 -7.893 -0.077 1.00 0.00 N ATOM 0 H ASN A 179 22.861 -5.135 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 179 22.681 -7.754 -2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.872 -5.745 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 179 20.692 -5.443 -2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 179 20.094 -8.522 0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 179 21.701 -7.834 0.176 1.00 0.00 H new ATOM 643 N ALA A 180 20.458 -7.053 -4.593 1.00 0.00 N ATOM 644 CA ALA A 180 19.556 -7.665 -5.554 1.00 0.00 C ATOM 645 C ALA A 180 20.334 -8.501 -6.569 1.00 0.00 C ATOM 646 O ALA A 180 19.935 -9.620 -6.876 1.00 0.00 O ATOM 647 CB ALA A 180 18.755 -6.575 -6.265 1.00 0.00 C ATOM 0 H ALA A 180 20.463 -6.033 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 180 18.872 -8.328 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.078 -7.033 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.178 -6.011 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.437 -5.902 -6.784 1.00 0.00 H new ATOM 653 N ILE A 181 21.438 -7.952 -7.094 1.00 0.00 N ATOM 654 CA ILE A 181 22.235 -8.635 -8.110 1.00 0.00 C ATOM 655 C ILE A 181 22.832 -9.926 -7.545 1.00 0.00 C ATOM 656 O ILE A 181 22.658 -10.998 -8.123 1.00 0.00 O ATOM 657 CB ILE A 181 23.348 -7.695 -8.604 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.729 -6.465 -9.284 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.235 -8.439 -9.610 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.764 -5.342 -9.378 1.00 0.00 C ATOM 0 H ILE A 181 21.796 -7.035 -6.828 1.00 0.00 H new ATOM 0 HA ILE A 181 21.593 -8.901 -8.950 1.00 0.00 H new ATOM 0 HB ILE A 181 23.948 -7.372 -7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.376 -6.730 -10.281 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.862 -6.125 -8.718 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.024 -7.774 -9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.681 -9.309 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.631 -8.764 -10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.316 -4.474 -9.862 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.096 -5.068 -8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.618 -5.683 -9.963 1.00 0.00 H new ATOM 672 N LYS A 182 23.545 -9.814 -6.423 1.00 0.00 N ATOM 673 CA LYS A 182 24.210 -10.946 -5.795 1.00 0.00 C ATOM 674 C LYS A 182 23.195 -12.034 -5.450 1.00 0.00 C ATOM 675 O LYS A 182 23.403 -13.199 -5.784 1.00 0.00 O ATOM 676 CB LYS A 182 24.936 -10.445 -4.541 1.00 0.00 C ATOM 677 CG LYS A 182 25.741 -11.575 -3.891 1.00 0.00 C ATOM 678 CD LYS A 182 26.739 -10.980 -2.885 1.00 0.00 C ATOM 679 CE LYS A 182 26.001 -10.449 -1.645 1.00 0.00 C ATOM 680 NZ LYS A 182 26.560 -9.154 -1.204 1.00 0.00 N ATOM 0 H LYS A 182 23.675 -8.932 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 182 24.935 -11.385 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.602 -9.623 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.211 -10.052 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.070 -12.270 -3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.273 -12.143 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.462 -11.740 -2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.301 -10.173 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 182 24.941 -10.332 -1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.076 -11.175 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.243 -8.951 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.599 -9.199 -1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.232 -8.400 -1.840 1.00 0.00 H new ATOM 694 N ASN A 183 22.100 -11.655 -4.782 1.00 0.00 N ATOM 695 CA ASN A 183 21.066 -12.602 -4.389 1.00 0.00 C ATOM 696 C ASN A 183 20.494 -13.306 -5.620 1.00 0.00 C ATOM 697 O ASN A 183 20.423 -14.534 -5.659 1.00 0.00 O ATOM 698 CB ASN A 183 19.962 -11.856 -3.634 1.00 0.00 C ATOM 699 CG ASN A 183 18.802 -12.789 -3.304 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.835 -13.489 -2.297 1.00 0.00 O ATOM 701 ND2 ASN A 183 17.776 -12.796 -4.156 1.00 0.00 N ATOM 0 H ASN A 183 21.912 -10.692 -4.504 1.00 0.00 H new ATOM 0 HA ASN A 183 21.498 -13.361 -3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.367 -11.433 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.603 -11.022 -4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.974 -13.401 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.794 -12.196 -4.981 1.00 0.00 H new ATOM 708 N HIS A 184 20.080 -12.519 -6.620 1.00 0.00 N ATOM 709 CA HIS A 184 19.490 -13.049 -7.840 1.00 0.00 C ATOM 710 C HIS A 184 20.431 -14.044 -8.513 1.00 0.00 C ATOM 711 O HIS A 184 20.020 -15.156 -8.845 1.00 0.00 O ATOM 712 CB HIS A 184 19.178 -11.887 -8.786 1.00 0.00 C ATOM 713 CG HIS A 184 18.983 -12.327 -10.214 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.973 -13.199 -10.606 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.664 -12.034 -11.369 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.106 -13.371 -11.936 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.123 -12.689 -12.462 1.00 0.00 N ATOM 0 H HIS A 184 20.147 -11.501 -6.600 1.00 0.00 H new ATOM 0 HA HIS A 184 18.570 -13.579 -7.592 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.278 -11.378 -8.442 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.991 -11.162 -8.743 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.517 -11.374 -11.419 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.451 -14.001 -12.520 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.429 -12.657 -13.435 1.00 0.00 H new ATOM 725 N TRP A 185 21.686 -13.641 -8.729 1.00 0.00 N ATOM 726 CA TRP A 185 22.649 -14.479 -9.415 1.00 0.00 C ATOM 727 C TRP A 185 22.909 -15.765 -8.634 1.00 0.00 C ATOM 728 O TRP A 185 22.864 -16.854 -9.205 1.00 0.00 O ATOM 729 CB TRP A 185 23.952 -13.710 -9.622 1.00 0.00 C ATOM 730 CG TRP A 185 24.992 -14.462 -10.398 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.758 -15.457 -9.921 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.396 -14.303 -11.790 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.610 -15.933 -10.886 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.433 -15.251 -12.073 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.999 -13.459 -12.849 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.039 -15.348 -13.327 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.608 -13.555 -14.117 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.627 -14.495 -14.354 1.00 0.00 C ATOM 0 H TRP A 185 22.051 -12.735 -8.434 1.00 0.00 H new ATOM 0 HA TRP A 185 22.238 -14.753 -10.387 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.732 -12.777 -10.140 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.363 -13.444 -8.648 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.710 -15.833 -8.910 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.282 -16.687 -10.745 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.219 -12.730 -12.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.818 -16.075 -13.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.289 -12.900 -14.914 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.090 -14.557 -15.328 1.00 0.00 H new ATOM 749 N ASN A 186 23.194 -15.646 -7.331 1.00 0.00 N ATOM 750 CA ASN A 186 23.513 -16.806 -6.508 1.00 0.00 C ATOM 751 C ASN A 186 22.238 -17.540 -6.088 1.00 0.00 C ATOM 752 O ASN A 186 22.059 -17.860 -4.914 1.00 0.00 O ATOM 753 CB ASN A 186 24.327 -16.363 -5.288 1.00 0.00 C ATOM 754 CG ASN A 186 25.721 -15.909 -5.708 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.652 -16.708 -5.733 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.863 -14.627 -6.039 1.00 0.00 N ATOM 0 H ASN A 186 23.209 -14.757 -6.830 1.00 0.00 H new ATOM 0 HA ASN A 186 24.114 -17.504 -7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.812 -15.549 -4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.405 -17.186 -4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.775 -14.273 -6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.060 -13.999 -6.003 1.00 0.00 H new ATOM 763 N SER A 187 21.363 -17.821 -7.057 1.00 0.00 N ATOM 764 CA SER A 187 20.121 -18.532 -6.812 1.00 0.00 C ATOM 765 C SER A 187 19.474 -18.871 -8.152 1.00 0.00 C ATOM 766 O SER A 187 19.265 -20.044 -8.470 1.00 0.00 O ATOM 767 CB SER A 187 19.183 -17.663 -5.961 1.00 0.00 C ATOM 768 OG SER A 187 17.959 -18.338 -5.766 1.00 0.00 O ATOM 0 H SER A 187 21.503 -17.558 -8.033 1.00 0.00 H new ATOM 0 HA SER A 187 20.319 -19.455 -6.267 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.647 -17.444 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 187 19.008 -16.707 -6.455 1.00 0.00 H new ATOM 0 HG SER A 187 17.362 -17.783 -5.221 1.00 0.00 H new ATOM 774 N THR A 188 19.165 -17.833 -8.935 1.00 0.00 N ATOM 775 CA THR A 188 18.524 -17.993 -10.227 1.00 0.00 C ATOM 776 C THR A 188 19.556 -18.389 -11.279 1.00 0.00 C ATOM 777 O THR A 188 19.369 -19.376 -11.989 1.00 0.00 O ATOM 778 CB THR A 188 17.837 -16.675 -10.621 1.00 0.00 C ATOM 779 OG1 THR A 188 17.308 -16.045 -9.472 1.00 0.00 O ATOM 780 CG2 THR A 188 16.705 -16.959 -11.610 1.00 0.00 C ATOM 0 H THR A 188 19.355 -16.863 -8.684 1.00 0.00 H new ATOM 0 HA THR A 188 17.775 -18.783 -10.165 1.00 0.00 H new ATOM 0 HB THR A 188 18.572 -16.018 -11.086 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.394 -15.073 -9.563 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.220 -16.023 -11.887 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.112 -17.435 -12.502 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.975 -17.622 -11.146 1.00 0.00 H new ATOM 788 N MET A 189 20.645 -17.613 -11.383 1.00 0.00 N ATOM 789 CA MET A 189 21.674 -17.866 -12.378 1.00 0.00 C ATOM 790 C MET A 189 22.515 -19.070 -11.961 1.00 0.00 C ATOM 791 O MET A 189 22.107 -20.209 -12.188 1.00 0.00 O ATOM 792 CB MET A 189 22.543 -16.613 -12.562 1.00 0.00 C ATOM 793 CG MET A 189 21.707 -15.478 -13.171 1.00 0.00 C ATOM 794 SD MET A 189 21.416 -15.652 -14.950 1.00 0.00 S ATOM 795 CE MET A 189 23.046 -15.151 -15.553 1.00 0.00 C ATOM 0 H MET A 189 20.827 -16.807 -10.786 1.00 0.00 H new ATOM 0 HA MET A 189 21.207 -18.096 -13.336 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.951 -16.300 -11.601 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.390 -16.840 -13.210 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.746 -15.433 -12.659 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.211 -14.529 -12.987 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.153 -15.443 -16.598 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.149 -14.069 -15.466 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.819 -15.638 -14.959 1.00 0.00 H new ATOM 805 N ARG A 190 23.694 -18.822 -11.360 1.00 0.00 N ATOM 806 CA ARG A 190 24.605 -19.890 -10.960 1.00 0.00 C ATOM 807 C ARG A 190 24.898 -20.780 -12.177 1.00 0.00 C ATOM 808 O ARG A 190 24.587 -20.405 -13.305 1.00 0.00 O ATOM 809 CB ARG A 190 23.976 -20.699 -9.810 1.00 0.00 C ATOM 810 CG ARG A 190 25.063 -21.144 -8.818 1.00 0.00 C ATOM 811 CD ARG A 190 25.312 -20.040 -7.788 1.00 0.00 C ATOM 812 NE ARG A 190 24.243 -20.006 -6.776 1.00 0.00 N ATOM 813 CZ ARG A 190 24.344 -20.594 -5.568 1.00 0.00 C ATOM 814 NH1 ARG A 190 25.314 -21.487 -5.329 1.00 0.00 N ATOM 815 NH2 ARG A 190 23.468 -20.287 -4.601 1.00 0.00 N ATOM 0 H ARG A 190 24.031 -17.884 -11.144 1.00 0.00 H new ATOM 0 HA ARG A 190 25.546 -19.473 -10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.230 -20.094 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.459 -21.571 -10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 190 24.755 -22.060 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.986 -21.369 -9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 190 26.273 -20.204 -7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 190 25.370 -19.075 -8.292 1.00 0.00 H new ATOM 0 HE ARG A 190 23.380 -19.511 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 190 25.981 -21.725 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 190 25.386 -21.929 -4.413 1.00 0.00 H new ATOM 0 HH21 ARG A 190 22.727 -19.610 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 190 23.542 -20.731 -3.686 1.00 0.00 H new