USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 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 203 GLN : amide:sc= -1.4! K(o=-0.81!,f=0.49) USER MOD Set 1.2: A 205 TYR OH : rot -129:sc= 0.587 USER MOD Single : A 186 MET CE :methyl 153:sc= -0.321 (180deg=-1.31!) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 192 THR OG1 : rot 180:sc=-0.00967 USER MOD Single : A 195 HIS : no HD1:sc= 0.0414 X(o=0.041,f=-0.31) USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 214 HIS : no HD1:sc=-0.00378 X(o=-0.0038,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 146:sc= 0.00631 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 SER OG : rot 151:sc= 1.94 USER MOD Single : A 231 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.046) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 141:sc= 0.519 USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -2.981 0.024 -4.656 1.00 0.00 N ATOM 37 CA ILE A 182 -2.750 -0.900 -3.559 1.00 0.00 C ATOM 38 C ILE A 182 -1.265 -1.064 -3.252 1.00 0.00 C ATOM 39 O ILE A 182 -0.781 -2.173 -3.032 1.00 0.00 O ATOM 40 CB ILE A 182 -3.410 -2.274 -3.836 1.00 0.00 C ATOM 41 CG1 ILE A 182 -3.244 -2.707 -5.307 1.00 0.00 C ATOM 42 CG2 ILE A 182 -4.886 -2.211 -3.482 1.00 0.00 C ATOM 43 CD1 ILE A 182 -1.856 -3.193 -5.676 1.00 0.00 C ATOM 0 HA ILE A 182 -3.219 -0.468 -2.675 1.00 0.00 H new ATOM 0 HB ILE A 182 -2.908 -3.016 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -3.960 -3.501 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.501 -1.865 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.349 -3.178 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.997 -1.962 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.373 -1.447 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -1.837 -3.475 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -1.133 -2.396 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -1.599 -4.058 -5.064 1.00 0.00 H new ATOM 55 N VAL A 183 -0.549 0.052 -3.210 1.00 0.00 N ATOM 56 CA VAL A 183 0.870 0.014 -2.898 1.00 0.00 C ATOM 57 C VAL A 183 1.069 0.093 -1.386 1.00 0.00 C ATOM 58 O VAL A 183 1.244 1.172 -0.821 1.00 0.00 O ATOM 59 CB VAL A 183 1.664 1.139 -3.613 1.00 0.00 C ATOM 60 CG1 VAL A 183 2.284 0.640 -4.902 1.00 0.00 C ATOM 61 CG2 VAL A 183 0.784 2.333 -3.906 1.00 0.00 C ATOM 0 H VAL A 183 -0.924 0.984 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 183 1.264 -0.932 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 183 2.460 1.447 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.833 1.451 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 183 2.967 -0.181 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 183 1.499 0.290 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 183 1.371 3.103 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 183 -0.040 2.028 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 183 0.387 2.730 -2.972 1.00 0.00 H new ATOM 71 N VAL A 184 1.023 -1.061 -0.738 1.00 0.00 N ATOM 72 CA VAL A 184 1.162 -1.140 0.708 1.00 0.00 C ATOM 73 C VAL A 184 2.628 -0.994 1.124 1.00 0.00 C ATOM 74 O VAL A 184 3.459 -1.842 0.811 1.00 0.00 O ATOM 75 CB VAL A 184 0.622 -2.494 1.220 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.620 -2.555 2.735 1.00 0.00 C ATOM 77 CG2 VAL A 184 -0.777 -2.760 0.674 1.00 0.00 C ATOM 0 H VAL A 184 0.889 -1.963 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 184 0.587 -0.325 1.147 1.00 0.00 H new ATOM 0 HB VAL A 184 1.292 -3.273 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.234 -3.521 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.637 -2.427 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -0.013 -1.760 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.137 -3.719 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.451 -1.967 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -0.744 -2.784 -0.415 1.00 0.00 H new ATOM 87 N ALA A 185 2.933 0.093 1.822 1.00 0.00 N ATOM 88 CA ALA A 185 4.296 0.358 2.274 1.00 0.00 C ATOM 89 C ALA A 185 4.661 -0.503 3.474 1.00 0.00 C ATOM 90 O ALA A 185 4.049 -0.399 4.540 1.00 0.00 O ATOM 91 CB ALA A 185 4.459 1.827 2.621 1.00 0.00 C ATOM 0 H ALA A 185 2.255 0.807 2.088 1.00 0.00 H new ATOM 0 HA ALA A 185 4.972 0.104 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.480 2.011 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.252 2.434 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 185 3.762 2.092 3.416 1.00 0.00 H new ATOM 97 N MET A 186 5.665 -1.351 3.300 1.00 0.00 N ATOM 98 CA MET A 186 6.117 -2.224 4.375 1.00 0.00 C ATOM 99 C MET A 186 7.433 -1.732 4.960 1.00 0.00 C ATOM 100 O MET A 186 7.678 -1.869 6.157 1.00 0.00 O ATOM 101 CB MET A 186 6.285 -3.659 3.874 1.00 0.00 C ATOM 102 CG MET A 186 4.994 -4.307 3.390 1.00 0.00 C ATOM 103 SD MET A 186 5.216 -6.048 2.983 1.00 0.00 S ATOM 104 CE MET A 186 5.883 -6.679 4.527 1.00 0.00 C ATOM 0 H MET A 186 6.181 -1.453 2.426 1.00 0.00 H new ATOM 0 HA MET A 186 5.356 -2.206 5.155 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.009 -3.665 3.059 1.00 0.00 H new ATOM 0 HB3 MET A 186 6.704 -4.266 4.677 1.00 0.00 H new ATOM 0 HG2 MET A 186 4.230 -4.211 4.161 1.00 0.00 H new ATOM 0 HG3 MET A 186 4.629 -3.774 2.512 1.00 0.00 H new ATOM 0 HE1 MET A 186 5.634 -7.736 4.626 1.00 0.00 H new ATOM 0 HE2 MET A 186 6.966 -6.559 4.531 1.00 0.00 H new ATOM 0 HE3 MET A 186 5.453 -6.126 5.362 1.00 0.00 H new ATOM 114 N TYR A 187 8.284 -1.164 4.116 1.00 0.00 N ATOM 115 CA TYR A 187 9.574 -0.660 4.570 1.00 0.00 C ATOM 116 C TYR A 187 9.494 0.840 4.828 1.00 0.00 C ATOM 117 O TYR A 187 8.588 1.513 4.340 1.00 0.00 O ATOM 118 CB TYR A 187 10.680 -0.969 3.552 1.00 0.00 C ATOM 119 CG TYR A 187 10.916 -2.449 3.350 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.025 -3.224 2.618 1.00 0.00 C ATOM 121 CD2 TYR A 187 12.024 -3.076 3.904 1.00 0.00 C ATOM 122 CE1 TYR A 187 10.230 -4.579 2.446 1.00 0.00 C ATOM 123 CE2 TYR A 187 12.238 -4.429 3.735 1.00 0.00 C ATOM 124 CZ TYR A 187 11.339 -5.176 3.004 1.00 0.00 C ATOM 125 OH TYR A 187 11.545 -6.525 2.837 1.00 0.00 O ATOM 0 H TYR A 187 8.106 -1.041 3.119 1.00 0.00 H new ATOM 0 HA TYR A 187 9.825 -1.166 5.502 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.419 -0.517 2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.608 -0.503 3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 187 9.157 -2.759 2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 187 12.731 -2.495 4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 187 9.525 -5.167 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 187 13.105 -4.900 4.173 1.00 0.00 H new ATOM 0 HH TYR A 187 12.372 -6.788 3.292 1.00 0.00 H new ATOM 135 N ASP A 188 10.434 1.352 5.609 1.00 0.00 N ATOM 136 CA ASP A 188 10.463 2.770 5.949 1.00 0.00 C ATOM 137 C ASP A 188 11.475 3.516 5.090 1.00 0.00 C ATOM 138 O ASP A 188 12.561 3.008 4.818 1.00 0.00 O ATOM 139 CB ASP A 188 10.814 2.936 7.435 1.00 0.00 C ATOM 140 CG ASP A 188 10.700 4.367 7.926 1.00 0.00 C ATOM 141 OD1 ASP A 188 11.467 5.228 7.457 1.00 0.00 O ATOM 142 OD2 ASP A 188 9.851 4.624 8.800 1.00 0.00 O ATOM 0 H ASP A 188 11.190 0.806 6.021 1.00 0.00 H new ATOM 0 HA ASP A 188 9.477 3.193 5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 188 10.155 2.303 8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 188 11.832 2.583 7.602 1.00 0.00 H new ATOM 147 N PHE A 189 11.124 4.732 4.694 1.00 0.00 N ATOM 148 CA PHE A 189 12.001 5.580 3.897 1.00 0.00 C ATOM 149 C PHE A 189 11.777 7.033 4.294 1.00 0.00 C ATOM 150 O PHE A 189 10.677 7.396 4.713 1.00 0.00 O ATOM 151 CB PHE A 189 11.747 5.378 2.403 1.00 0.00 C ATOM 152 CG PHE A 189 12.690 6.148 1.519 1.00 0.00 C ATOM 153 CD1 PHE A 189 14.061 5.975 1.631 1.00 0.00 C ATOM 154 CD2 PHE A 189 12.209 7.042 0.575 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.931 6.678 0.821 1.00 0.00 C ATOM 156 CE2 PHE A 189 13.077 7.748 -0.236 1.00 0.00 C ATOM 157 CZ PHE A 189 14.438 7.565 -0.112 1.00 0.00 C ATOM 0 H PHE A 189 10.224 5.158 4.916 1.00 0.00 H new ATOM 0 HA PHE A 189 13.039 5.308 4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.830 4.316 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.724 5.676 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.453 5.282 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 189 11.144 7.188 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.997 6.533 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 189 12.690 8.443 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 189 15.117 8.116 -0.745 1.00 0.00 H new ATOM 167 N GLN A 190 12.821 7.849 4.191 1.00 0.00 N ATOM 168 CA GLN A 190 12.735 9.255 4.573 1.00 0.00 C ATOM 169 C GLN A 190 12.906 10.185 3.377 1.00 0.00 C ATOM 170 O GLN A 190 13.914 10.126 2.666 1.00 0.00 O ATOM 171 CB GLN A 190 13.822 9.578 5.600 1.00 0.00 C ATOM 172 CG GLN A 190 13.955 8.545 6.702 1.00 0.00 C ATOM 173 CD GLN A 190 15.209 8.744 7.525 1.00 0.00 C ATOM 174 OE1 GLN A 190 15.355 9.747 8.224 1.00 0.00 O ATOM 175 NE2 GLN A 190 16.135 7.803 7.421 1.00 0.00 N ATOM 0 H GLN A 190 13.737 7.561 3.846 1.00 0.00 H new ATOM 0 HA GLN A 190 11.743 9.415 4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 190 14.778 9.670 5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 190 13.607 10.548 6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 190 13.083 8.597 7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 190 13.965 7.547 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 190 15.970 6.989 6.829 1.00 0.00 H new ATOM 0 HE22 GLN A 190 17.013 7.893 7.932 1.00 0.00 H new ATOM 184 N ALA A 191 11.941 11.074 3.190 1.00 0.00 N ATOM 185 CA ALA A 191 12.008 12.052 2.116 1.00 0.00 C ATOM 186 C ALA A 191 12.520 13.365 2.673 1.00 0.00 C ATOM 187 O ALA A 191 11.887 13.969 3.539 1.00 0.00 O ATOM 188 CB ALA A 191 10.650 12.248 1.456 1.00 0.00 C ATOM 0 H ALA A 191 11.103 11.137 3.768 1.00 0.00 H new ATOM 0 HA ALA A 191 12.691 11.685 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 191 10.736 12.985 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 191 10.308 11.301 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 191 9.932 12.598 2.198 1.00 0.00 H new ATOM 194 N THR A 192 13.667 13.798 2.189 1.00 0.00 N ATOM 195 CA THR A 192 14.262 15.038 2.656 1.00 0.00 C ATOM 196 C THR A 192 14.227 16.115 1.575 1.00 0.00 C ATOM 197 O THR A 192 14.472 17.292 1.854 1.00 0.00 O ATOM 198 CB THR A 192 15.698 14.780 3.144 1.00 0.00 C ATOM 199 OG1 THR A 192 16.439 15.988 3.235 1.00 0.00 O ATOM 200 CG2 THR A 192 16.480 13.817 2.275 1.00 0.00 C ATOM 0 H THR A 192 14.207 13.311 1.473 1.00 0.00 H new ATOM 0 HA THR A 192 13.673 15.410 3.494 1.00 0.00 H new ATOM 0 HB THR A 192 15.574 14.325 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 192 17.346 15.792 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.482 13.688 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 192 15.971 12.854 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 192 16.551 14.216 1.263 1.00 0.00 H new ATOM 208 N GLU A 193 13.915 15.724 0.346 1.00 0.00 N ATOM 209 CA GLU A 193 13.848 16.682 -0.748 1.00 0.00 C ATOM 210 C GLU A 193 12.403 17.091 -1.032 1.00 0.00 C ATOM 211 O GLU A 193 11.868 17.977 -0.361 1.00 0.00 O ATOM 212 CB GLU A 193 14.502 16.119 -2.011 1.00 0.00 C ATOM 213 CG GLU A 193 15.962 15.742 -1.825 1.00 0.00 C ATOM 214 CD GLU A 193 16.634 15.377 -3.128 1.00 0.00 C ATOM 215 OE1 GLU A 193 16.221 14.380 -3.753 1.00 0.00 O ATOM 216 OE2 GLU A 193 17.562 16.097 -3.538 1.00 0.00 O ATOM 0 H GLU A 193 13.706 14.761 0.084 1.00 0.00 H new ATOM 0 HA GLU A 193 14.401 17.571 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 193 13.947 15.239 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 193 14.425 16.857 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 193 16.494 16.576 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 193 16.032 14.901 -1.135 1.00 0.00 H new ATOM 223 N ALA A 194 11.780 16.443 -2.019 1.00 0.00 N ATOM 224 CA ALA A 194 10.395 16.738 -2.398 1.00 0.00 C ATOM 225 C ALA A 194 9.941 15.850 -3.546 1.00 0.00 C ATOM 226 O ALA A 194 8.789 15.418 -3.589 1.00 0.00 O ATOM 227 CB ALA A 194 10.241 18.196 -2.807 1.00 0.00 C ATOM 0 H ALA A 194 12.216 15.706 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 194 9.773 16.541 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 194 9.204 18.389 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 194 10.520 18.839 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 194 10.889 18.405 -3.658 1.00 0.00 H new ATOM 233 N HIS A 195 10.851 15.598 -4.483 1.00 0.00 N ATOM 234 CA HIS A 195 10.549 14.764 -5.644 1.00 0.00 C ATOM 235 C HIS A 195 10.242 13.338 -5.201 1.00 0.00 C ATOM 236 O HIS A 195 9.265 12.732 -5.653 1.00 0.00 O ATOM 237 CB HIS A 195 11.726 14.760 -6.626 1.00 0.00 C ATOM 238 CG HIS A 195 11.483 13.949 -7.865 1.00 0.00 C ATOM 239 ND1 HIS A 195 10.566 14.308 -8.828 1.00 0.00 N ATOM 240 CD2 HIS A 195 12.030 12.783 -8.284 1.00 0.00 C ATOM 241 CE1 HIS A 195 10.554 13.399 -9.786 1.00 0.00 C ATOM 242 NE2 HIS A 195 11.438 12.463 -9.486 1.00 0.00 N ATOM 0 H HIS A 195 11.805 15.959 -4.461 1.00 0.00 H new ATOM 0 HA HIS A 195 9.675 15.179 -6.146 1.00 0.00 H new ATOM 0 HB2 HIS A 195 11.949 15.787 -6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 195 12.609 14.373 -6.118 1.00 0.00 H new ATOM 0 HD2 HIS A 195 12.789 12.211 -7.771 1.00 0.00 H new ATOM 0 HE1 HIS A 195 9.928 13.417 -10.666 1.00 0.00 H new ATOM 0 HE2 HIS A 195 11.647 11.640 -10.051 1.00 0.00 H new ATOM 251 N ASP A 196 11.079 12.817 -4.314 1.00 0.00 N ATOM 252 CA ASP A 196 10.909 11.471 -3.793 1.00 0.00 C ATOM 253 C ASP A 196 10.023 11.521 -2.559 1.00 0.00 C ATOM 254 O ASP A 196 10.166 12.417 -1.728 1.00 0.00 O ATOM 255 CB ASP A 196 12.263 10.855 -3.426 1.00 0.00 C ATOM 256 CG ASP A 196 13.254 10.873 -4.569 1.00 0.00 C ATOM 257 OD1 ASP A 196 12.966 10.283 -5.626 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.331 11.481 -4.406 1.00 0.00 O ATOM 0 H ASP A 196 11.888 13.312 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 196 10.445 10.853 -4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.684 11.397 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 196 12.111 9.826 -3.101 1.00 0.00 H new ATOM 263 N LEU A 197 9.121 10.560 -2.435 1.00 0.00 N ATOM 264 CA LEU A 197 8.227 10.508 -1.290 1.00 0.00 C ATOM 265 C LEU A 197 8.751 9.503 -0.272 1.00 0.00 C ATOM 266 O LEU A 197 9.544 8.624 -0.610 1.00 0.00 O ATOM 267 CB LEU A 197 6.807 10.137 -1.732 1.00 0.00 C ATOM 268 CG LEU A 197 5.723 10.333 -0.668 1.00 0.00 C ATOM 269 CD1 LEU A 197 5.691 11.770 -0.183 1.00 0.00 C ATOM 270 CD2 LEU A 197 4.366 9.953 -1.215 1.00 0.00 C ATOM 0 H LEU A 197 8.989 9.808 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 197 8.190 11.494 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.548 10.734 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.802 9.093 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 197 5.964 9.684 0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 197 4.913 11.882 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 197 6.657 12.029 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 197 5.480 12.433 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 197 3.609 10.099 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 197 4.133 10.579 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 197 4.376 8.906 -1.519 1.00 0.00 H new ATOM 282 N ARG A 198 8.329 9.638 0.974 1.00 0.00 N ATOM 283 CA ARG A 198 8.794 8.736 2.009 1.00 0.00 C ATOM 284 C ARG A 198 7.940 7.476 2.075 1.00 0.00 C ATOM 285 O ARG A 198 6.862 7.406 1.483 1.00 0.00 O ATOM 286 CB ARG A 198 8.813 9.420 3.377 1.00 0.00 C ATOM 287 CG ARG A 198 7.436 9.679 3.964 1.00 0.00 C ATOM 288 CD ARG A 198 7.505 9.807 5.476 1.00 0.00 C ATOM 289 NE ARG A 198 8.141 8.640 6.086 1.00 0.00 N ATOM 290 CZ ARG A 198 8.373 8.519 7.393 1.00 0.00 C ATOM 291 NH1 ARG A 198 8.015 9.488 8.226 1.00 0.00 N ATOM 292 NH2 ARG A 198 8.951 7.420 7.866 1.00 0.00 N ATOM 0 H ARG A 198 7.674 10.354 1.289 1.00 0.00 H new ATOM 0 HA ARG A 198 9.813 8.452 1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 198 9.381 8.802 4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 198 9.342 10.369 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 198 7.020 10.591 3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.763 8.865 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 198 8.062 10.706 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 198 6.499 9.926 5.878 1.00 0.00 H new ATOM 0 HE ARG A 198 8.424 7.873 5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 198 7.561 10.328 7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 198 8.194 9.393 9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 198 9.217 6.669 7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 198 9.129 7.327 8.866 1.00 0.00 H new ATOM 306 N LEU A 199 8.431 6.492 2.815 1.00 0.00 N ATOM 307 CA LEU A 199 7.723 5.229 2.991 1.00 0.00 C ATOM 308 C LEU A 199 7.291 5.080 4.441 1.00 0.00 C ATOM 309 O LEU A 199 8.131 5.061 5.345 1.00 0.00 O ATOM 310 CB LEU A 199 8.606 4.036 2.593 1.00 0.00 C ATOM 311 CG LEU A 199 8.643 3.669 1.100 1.00 0.00 C ATOM 312 CD1 LEU A 199 7.283 3.186 0.631 1.00 0.00 C ATOM 313 CD2 LEU A 199 9.112 4.835 0.245 1.00 0.00 C ATOM 0 H LEU A 199 9.323 6.544 3.307 1.00 0.00 H new ATOM 0 HA LEU A 199 6.847 5.239 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.626 4.245 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 199 8.267 3.162 3.149 1.00 0.00 H new ATOM 0 HG LEU A 199 9.363 2.859 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.332 2.932 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 199 6.993 2.304 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 199 6.545 3.974 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 199 9.124 4.536 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 199 8.432 5.677 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 199 10.116 5.129 0.550 1.00 0.00 H new ATOM 325 N GLU A 200 5.987 4.979 4.663 1.00 0.00 N ATOM 326 CA GLU A 200 5.451 4.827 6.008 1.00 0.00 C ATOM 327 C GLU A 200 4.910 3.417 6.184 1.00 0.00 C ATOM 328 O GLU A 200 3.947 3.028 5.524 1.00 0.00 O ATOM 329 CB GLU A 200 4.345 5.860 6.266 1.00 0.00 C ATOM 330 CG GLU A 200 3.784 5.839 7.685 1.00 0.00 C ATOM 331 CD GLU A 200 4.758 6.366 8.718 1.00 0.00 C ATOM 332 OE1 GLU A 200 5.865 6.788 8.333 1.00 0.00 O ATOM 333 OE2 GLU A 200 4.410 6.375 9.913 1.00 0.00 O ATOM 0 H GLU A 200 5.281 5.000 3.927 1.00 0.00 H new ATOM 0 HA GLU A 200 6.250 4.996 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 200 4.738 6.855 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 200 3.530 5.686 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 200 2.872 6.435 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.506 4.817 7.944 1.00 0.00 H new ATOM 340 N ARG A 201 5.546 2.650 7.063 1.00 0.00 N ATOM 341 CA ARG A 201 5.142 1.271 7.315 1.00 0.00 C ATOM 342 C ARG A 201 3.725 1.209 7.871 1.00 0.00 C ATOM 343 O ARG A 201 3.474 1.622 9.007 1.00 0.00 O ATOM 344 CB ARG A 201 6.100 0.600 8.299 1.00 0.00 C ATOM 345 CG ARG A 201 7.564 0.938 8.067 1.00 0.00 C ATOM 346 CD ARG A 201 8.472 0.097 8.952 1.00 0.00 C ATOM 347 NE ARG A 201 7.996 0.048 10.336 1.00 0.00 N ATOM 348 CZ ARG A 201 8.609 -0.627 11.308 1.00 0.00 C ATOM 349 NH1 ARG A 201 9.796 -1.180 11.088 1.00 0.00 N ATOM 350 NH2 ARG A 201 8.067 -0.670 12.516 1.00 0.00 N ATOM 0 H ARG A 201 6.346 2.961 7.615 1.00 0.00 H new ATOM 0 HA ARG A 201 5.172 0.741 6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.827 0.893 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.973 -0.481 8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 201 7.817 0.771 7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 201 7.732 1.996 8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 201 8.531 -0.916 8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 201 9.481 0.508 8.930 1.00 0.00 H new ATOM 0 HE ARG A 201 7.146 0.560 10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 201 10.240 -1.088 10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 201 10.264 -1.696 11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 201 7.186 -0.188 12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 201 8.530 -1.185 13.265 1.00 0.00 H new ATOM 364 N GLY A 202 2.806 0.685 7.073 1.00 0.00 N ATOM 365 CA GLY A 202 1.430 0.573 7.510 1.00 0.00 C ATOM 366 C GLY A 202 0.464 1.303 6.596 1.00 0.00 C ATOM 367 O GLY A 202 -0.681 0.877 6.433 1.00 0.00 O ATOM 0 H GLY A 202 2.988 0.336 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.153 -0.480 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.340 0.973 8.520 1.00 0.00 H new ATOM 371 N GLN A 203 0.920 2.403 5.997 1.00 0.00 N ATOM 372 CA GLN A 203 0.076 3.188 5.100 1.00 0.00 C ATOM 373 C GLN A 203 -0.053 2.539 3.728 1.00 0.00 C ATOM 374 O GLN A 203 0.946 2.249 3.061 1.00 0.00 O ATOM 375 CB GLN A 203 0.627 4.613 4.946 1.00 0.00 C ATOM 376 CG GLN A 203 0.117 5.585 5.999 1.00 0.00 C ATOM 377 CD GLN A 203 0.728 6.970 5.894 1.00 0.00 C ATOM 378 OE1 GLN A 203 0.457 7.845 6.720 1.00 0.00 O ATOM 379 NE2 GLN A 203 1.545 7.182 4.876 1.00 0.00 N ATOM 0 H GLN A 203 1.865 2.768 6.117 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.916 3.229 5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 203 1.715 4.579 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.362 4.990 3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -0.966 5.667 5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.327 5.179 6.988 1.00 0.00 H new ATOM 0 HE21 GLN A 203 1.742 6.430 4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.978 8.097 4.751 1.00 0.00 H new ATOM 388 N GLU A 204 -1.289 2.349 3.296 1.00 0.00 N ATOM 389 CA GLU A 204 -1.553 1.785 1.988 1.00 0.00 C ATOM 390 C GLU A 204 -1.621 2.917 0.980 1.00 0.00 C ATOM 391 O GLU A 204 -2.580 3.695 0.953 1.00 0.00 O ATOM 392 CB GLU A 204 -2.846 0.970 1.998 1.00 0.00 C ATOM 393 CG GLU A 204 -2.748 -0.282 2.853 1.00 0.00 C ATOM 394 CD GLU A 204 -4.049 -1.038 2.949 1.00 0.00 C ATOM 395 OE1 GLU A 204 -4.599 -1.417 1.898 1.00 0.00 O ATOM 396 OE2 GLU A 204 -4.509 -1.279 4.081 1.00 0.00 O ATOM 0 H GLU A 204 -2.124 2.578 3.835 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.750 1.102 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.660 1.594 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -3.100 0.687 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -1.983 -0.939 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.421 -0.005 3.855 1.00 0.00 H new ATOM 403 N TYR A 205 -0.574 3.033 0.190 1.00 0.00 N ATOM 404 CA TYR A 205 -0.469 4.096 -0.789 1.00 0.00 C ATOM 405 C TYR A 205 -1.272 3.818 -2.045 1.00 0.00 C ATOM 406 O TYR A 205 -1.790 2.719 -2.256 1.00 0.00 O ATOM 407 CB TYR A 205 0.996 4.313 -1.165 1.00 0.00 C ATOM 408 CG TYR A 205 1.843 4.856 -0.042 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.328 5.759 0.881 1.00 0.00 C ATOM 410 CD2 TYR A 205 3.173 4.486 0.075 1.00 0.00 C ATOM 411 CE1 TYR A 205 2.117 6.269 1.886 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.966 4.992 1.084 1.00 0.00 C ATOM 413 CZ TYR A 205 3.432 5.883 1.985 1.00 0.00 C ATOM 414 OH TYR A 205 4.212 6.401 2.986 1.00 0.00 O ATOM 0 H TYR A 205 0.224 2.398 0.207 1.00 0.00 H new ATOM 0 HA TYR A 205 -0.882 4.993 -0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.419 3.366 -1.500 1.00 0.00 H new ATOM 0 HB3 TYR A 205 1.046 5.001 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.295 6.064 0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 205 3.596 3.790 -0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 205 1.704 6.971 2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 205 5.000 4.690 1.166 1.00 0.00 H new ATOM 0 HH TYR A 205 5.045 6.748 2.605 1.00 0.00 H new ATOM 424 N ILE A 206 -1.343 4.839 -2.882 1.00 0.00 N ATOM 425 CA ILE A 206 -2.057 4.768 -4.145 1.00 0.00 C ATOM 426 C ILE A 206 -1.075 4.928 -5.298 1.00 0.00 C ATOM 427 O ILE A 206 -0.504 5.996 -5.478 1.00 0.00 O ATOM 428 CB ILE A 206 -3.120 5.893 -4.255 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.048 5.915 -3.033 1.00 0.00 C ATOM 430 CG2 ILE A 206 -3.929 5.749 -5.531 1.00 0.00 C ATOM 431 CD1 ILE A 206 -3.490 6.690 -1.853 1.00 0.00 C ATOM 0 H ILE A 206 -0.906 5.743 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.554 3.799 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 206 -2.586 6.843 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.004 6.351 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.247 4.890 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -4.668 6.549 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.264 5.810 -6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.437 4.785 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.202 6.660 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -2.549 6.242 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -3.318 7.726 -2.146 1.00 0.00 H new ATOM 443 N ILE A 207 -0.858 3.874 -6.068 1.00 0.00 N ATOM 444 CA ILE A 207 0.073 3.943 -7.173 1.00 0.00 C ATOM 445 C ILE A 207 -0.474 4.826 -8.297 1.00 0.00 C ATOM 446 O ILE A 207 -1.603 4.646 -8.757 1.00 0.00 O ATOM 447 CB ILE A 207 0.426 2.523 -7.674 1.00 0.00 C ATOM 448 CG1 ILE A 207 1.343 2.558 -8.899 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.827 1.716 -7.954 1.00 0.00 C ATOM 450 CD1 ILE A 207 0.629 2.587 -10.241 1.00 0.00 C ATOM 0 H ILE A 207 -1.312 2.969 -5.947 1.00 0.00 H new ATOM 0 HA ILE A 207 0.995 4.407 -6.822 1.00 0.00 H new ATOM 0 HB ILE A 207 0.977 2.028 -6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 207 1.985 3.436 -8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 207 1.994 1.684 -8.871 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -0.549 0.722 -8.305 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -1.414 1.627 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -1.420 2.218 -8.719 1.00 0.00 H new ATOM 0 HD11 ILE A 207 1.365 2.611 -11.044 1.00 0.00 H new ATOM 0 HD12 ILE A 207 0.009 1.696 -10.343 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -0.000 3.475 -10.299 1.00 0.00 H new ATOM 462 N LEU A 208 0.337 5.789 -8.707 1.00 0.00 N ATOM 463 CA LEU A 208 -0.038 6.726 -9.756 1.00 0.00 C ATOM 464 C LEU A 208 0.711 6.406 -11.044 1.00 0.00 C ATOM 465 O LEU A 208 0.104 6.199 -12.098 1.00 0.00 O ATOM 466 CB LEU A 208 0.282 8.161 -9.312 1.00 0.00 C ATOM 467 CG LEU A 208 -0.283 8.558 -7.942 1.00 0.00 C ATOM 468 CD1 LEU A 208 0.309 9.878 -7.481 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.798 8.651 -7.995 1.00 0.00 C ATOM 0 H LEU A 208 1.270 5.943 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.109 6.636 -9.940 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.365 8.286 -9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.104 8.852 -10.061 1.00 0.00 H new ATOM 0 HG LEU A 208 -0.008 7.785 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 208 -0.104 10.142 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 208 1.392 9.783 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.065 10.658 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -2.180 8.934 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -2.091 9.402 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -2.212 7.684 -8.281 1.00 0.00 H new ATOM 481 N GLU A 209 2.035 6.372 -10.947 1.00 0.00 N ATOM 482 CA GLU A 209 2.887 6.086 -12.096 1.00 0.00 C ATOM 483 C GLU A 209 3.755 4.860 -11.821 1.00 0.00 C ATOM 484 O GLU A 209 3.993 4.509 -10.665 1.00 0.00 O ATOM 485 CB GLU A 209 3.758 7.309 -12.398 1.00 0.00 C ATOM 486 CG GLU A 209 2.950 8.595 -12.479 1.00 0.00 C ATOM 487 CD GLU A 209 3.803 9.838 -12.484 1.00 0.00 C ATOM 488 OE1 GLU A 209 5.032 9.719 -12.627 1.00 0.00 O ATOM 489 OE2 GLU A 209 3.240 10.938 -12.345 1.00 0.00 O ATOM 0 H GLU A 209 2.544 6.540 -10.079 1.00 0.00 H new ATOM 0 HA GLU A 209 2.264 5.870 -12.964 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.518 7.410 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 209 4.282 7.153 -13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 209 2.342 8.577 -13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 209 2.263 8.638 -11.634 1.00 0.00 H new ATOM 496 N LYS A 210 4.215 4.202 -12.882 1.00 0.00 N ATOM 497 CA LYS A 210 5.036 3.004 -12.730 1.00 0.00 C ATOM 498 C LYS A 210 6.517 3.296 -12.984 1.00 0.00 C ATOM 499 O LYS A 210 7.193 3.838 -12.112 1.00 0.00 O ATOM 500 CB LYS A 210 4.526 1.897 -13.661 1.00 0.00 C ATOM 501 CG LYS A 210 5.121 0.524 -13.392 1.00 0.00 C ATOM 502 CD LYS A 210 4.493 -0.532 -14.290 1.00 0.00 C ATOM 503 CE LYS A 210 5.079 -1.908 -14.032 1.00 0.00 C ATOM 504 NZ LYS A 210 4.499 -2.938 -14.925 1.00 0.00 N ATOM 0 H LYS A 210 4.035 4.475 -13.848 1.00 0.00 H new ATOM 0 HA LYS A 210 4.950 2.664 -11.698 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.442 1.834 -13.570 1.00 0.00 H new ATOM 0 HB3 LYS A 210 4.743 2.178 -14.692 1.00 0.00 H new ATOM 0 HG2 LYS A 210 6.198 0.552 -13.557 1.00 0.00 H new ATOM 0 HG3 LYS A 210 4.966 0.256 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 210 3.416 -0.558 -14.123 1.00 0.00 H new ATOM 0 HD3 LYS A 210 4.648 -0.260 -15.334 1.00 0.00 H new ATOM 0 HE2 LYS A 210 6.159 -1.874 -14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 210 4.902 -2.188 -12.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 4.928 -3.862 -14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 3.471 -2.990 -14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 4.690 -2.686 -15.916 1.00 0.00 H new ATOM 518 N ASN A 211 7.007 2.916 -14.176 1.00 0.00 N ATOM 519 CA ASN A 211 8.416 3.098 -14.571 1.00 0.00 C ATOM 520 C ASN A 211 9.282 2.013 -13.927 1.00 0.00 C ATOM 521 O ASN A 211 9.828 2.205 -12.836 1.00 0.00 O ATOM 522 CB ASN A 211 8.940 4.498 -14.205 1.00 0.00 C ATOM 523 CG ASN A 211 10.381 4.716 -14.623 1.00 0.00 C ATOM 524 OD1 ASN A 211 10.711 4.665 -15.807 1.00 0.00 O ATOM 525 ND2 ASN A 211 11.247 4.957 -13.649 1.00 0.00 N ATOM 0 H ASN A 211 6.436 2.473 -14.896 1.00 0.00 H new ATOM 0 HA ASN A 211 8.474 3.008 -15.656 1.00 0.00 H new ATOM 0 HB2 ASN A 211 8.311 5.251 -14.680 1.00 0.00 H new ATOM 0 HB3 ASN A 211 8.853 4.643 -13.128 1.00 0.00 H new ATOM 0 HD21 ASN A 211 12.232 5.109 -13.868 1.00 0.00 H new ATOM 0 HD22 ASN A 211 10.929 4.990 -12.680 1.00 0.00 H new ATOM 532 N ASP A 212 9.378 0.860 -14.609 1.00 0.00 N ATOM 533 CA ASP A 212 10.146 -0.295 -14.122 1.00 0.00 C ATOM 534 C ASP A 212 9.543 -0.830 -12.834 1.00 0.00 C ATOM 535 O ASP A 212 8.410 -0.514 -12.514 1.00 0.00 O ATOM 536 CB ASP A 212 11.621 0.054 -13.924 1.00 0.00 C ATOM 537 CG ASP A 212 12.342 0.236 -15.237 1.00 0.00 C ATOM 538 OD1 ASP A 212 12.460 -0.749 -15.990 1.00 0.00 O ATOM 539 OD2 ASP A 212 12.770 1.365 -15.527 1.00 0.00 O ATOM 0 H ASP A 212 8.927 0.704 -15.510 1.00 0.00 H new ATOM 0 HA ASP A 212 10.092 -1.074 -14.882 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.701 0.969 -13.337 1.00 0.00 H new ATOM 0 HB3 ASP A 212 12.106 -0.736 -13.351 1.00 0.00 H new ATOM 544 N LEU A 213 10.282 -1.672 -12.119 1.00 0.00 N ATOM 545 CA LEU A 213 9.791 -2.249 -10.867 1.00 0.00 C ATOM 546 C LEU A 213 10.270 -1.485 -9.636 1.00 0.00 C ATOM 547 O LEU A 213 9.745 -1.677 -8.542 1.00 0.00 O ATOM 548 CB LEU A 213 10.220 -3.709 -10.732 1.00 0.00 C ATOM 549 CG LEU A 213 9.525 -4.678 -11.693 1.00 0.00 C ATOM 550 CD1 LEU A 213 9.915 -6.117 -11.384 1.00 0.00 C ATOM 551 CD2 LEU A 213 8.016 -4.510 -11.625 1.00 0.00 C ATOM 0 H LEU A 213 11.221 -1.971 -12.382 1.00 0.00 H new ATOM 0 HA LEU A 213 8.704 -2.178 -10.913 1.00 0.00 H new ATOM 0 HB2 LEU A 213 11.296 -3.772 -10.891 1.00 0.00 H new ATOM 0 HB3 LEU A 213 10.029 -4.035 -9.710 1.00 0.00 H new ATOM 0 HG LEU A 213 9.852 -4.444 -12.706 1.00 0.00 H new ATOM 0 HD11 LEU A 213 9.410 -6.788 -12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 213 10.994 -6.232 -11.488 1.00 0.00 H new ATOM 0 HD13 LEU A 213 9.621 -6.363 -10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 213 7.541 -5.207 -12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 213 7.673 -4.713 -10.611 1.00 0.00 H new ATOM 0 HD23 LEU A 213 7.751 -3.489 -11.901 1.00 0.00 H new ATOM 563 N HIS A 214 11.312 -0.687 -9.798 1.00 0.00 N ATOM 564 CA HIS A 214 11.901 0.019 -8.665 1.00 0.00 C ATOM 565 C HIS A 214 11.224 1.346 -8.329 1.00 0.00 C ATOM 566 O HIS A 214 10.367 1.407 -7.445 1.00 0.00 O ATOM 567 CB HIS A 214 13.401 0.231 -8.911 1.00 0.00 C ATOM 568 CG HIS A 214 14.198 -1.042 -8.880 1.00 0.00 C ATOM 569 ND1 HIS A 214 15.540 -1.109 -9.195 1.00 0.00 N ATOM 570 CD2 HIS A 214 13.829 -2.308 -8.559 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.959 -2.358 -9.066 1.00 0.00 C ATOM 572 NE2 HIS A 214 14.941 -3.105 -8.680 1.00 0.00 N ATOM 0 H HIS A 214 11.767 -0.510 -10.694 1.00 0.00 H new ATOM 0 HA HIS A 214 11.743 -0.617 -7.794 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.538 0.713 -9.879 1.00 0.00 H new ATOM 0 HB3 HIS A 214 13.792 0.914 -8.157 1.00 0.00 H new ATOM 0 HD2 HIS A 214 12.842 -2.630 -8.263 1.00 0.00 H new ATOM 0 HE1 HIS A 214 16.965 -2.707 -9.246 1.00 0.00 H new ATOM 0 HE2 HIS A 214 14.975 -4.109 -8.501 1.00 0.00 H new ATOM 581 N TRP A 215 11.653 2.415 -8.981 1.00 0.00 N ATOM 582 CA TRP A 215 11.130 3.746 -8.689 1.00 0.00 C ATOM 583 C TRP A 215 9.813 4.070 -9.385 1.00 0.00 C ATOM 584 O TRP A 215 9.793 4.511 -10.534 1.00 0.00 O ATOM 585 CB TRP A 215 12.184 4.797 -9.024 1.00 0.00 C ATOM 586 CG TRP A 215 13.351 4.732 -8.092 1.00 0.00 C ATOM 587 CD1 TRP A 215 14.462 3.945 -8.204 1.00 0.00 C ATOM 588 CD2 TRP A 215 13.496 5.456 -6.871 1.00 0.00 C ATOM 589 NE1 TRP A 215 15.290 4.148 -7.127 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.718 5.076 -6.297 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.706 6.397 -6.214 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.169 5.604 -5.089 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.152 6.920 -5.020 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.373 6.526 -4.469 1.00 0.00 C ATOM 0 H TRP A 215 12.361 2.390 -9.715 1.00 0.00 H new ATOM 0 HA TRP A 215 10.905 3.759 -7.623 1.00 0.00 H new ATOM 0 HB2 TRP A 215 12.529 4.652 -10.048 1.00 0.00 H new ATOM 0 HB3 TRP A 215 11.736 5.789 -8.976 1.00 0.00 H new ATOM 0 HD1 TRP A 215 14.660 3.264 -9.019 1.00 0.00 H new ATOM 0 HE1 TRP A 215 16.185 3.684 -6.971 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.761 6.711 -6.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.111 5.297 -4.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.546 7.648 -4.501 1.00 0.00 H new ATOM 0 HH2 TRP A 215 14.695 6.959 -3.533 1.00 0.00 H new ATOM 605 N TRP A 216 8.723 3.904 -8.640 1.00 0.00 N ATOM 606 CA TRP A 216 7.385 4.232 -9.119 1.00 0.00 C ATOM 607 C TRP A 216 7.008 5.602 -8.587 1.00 0.00 C ATOM 608 O TRP A 216 7.810 6.260 -7.931 1.00 0.00 O ATOM 609 CB TRP A 216 6.339 3.223 -8.618 1.00 0.00 C ATOM 610 CG TRP A 216 6.380 1.886 -9.283 1.00 0.00 C ATOM 611 CD1 TRP A 216 7.384 1.383 -10.046 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.375 0.866 -9.218 1.00 0.00 C ATOM 613 NE1 TRP A 216 7.066 0.117 -10.459 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.842 -0.224 -9.968 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.128 0.768 -8.597 1.00 0.00 C ATOM 616 CZ2 TRP A 216 5.109 -1.399 -10.115 1.00 0.00 C ATOM 617 CZ3 TRP A 216 3.399 -0.395 -8.743 1.00 0.00 C ATOM 618 CH2 TRP A 216 3.893 -1.470 -9.496 1.00 0.00 C ATOM 0 H TRP A 216 8.743 3.538 -7.688 1.00 0.00 H new ATOM 0 HA TRP A 216 7.398 4.208 -10.209 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.476 3.083 -7.546 1.00 0.00 H new ATOM 0 HB3 TRP A 216 5.347 3.651 -8.759 1.00 0.00 H new ATOM 0 HD1 TRP A 216 8.298 1.904 -10.291 1.00 0.00 H new ATOM 0 HE1 TRP A 216 7.654 -0.478 -11.043 1.00 0.00 H new ATOM 0 HE3 TRP A 216 3.740 1.589 -8.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.488 -2.225 -10.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 2.432 -0.478 -8.269 1.00 0.00 H new ATOM 0 HH2 TRP A 216 3.302 -2.369 -9.588 1.00 0.00 H new ATOM 629 N ARG A 217 5.777 6.007 -8.809 1.00 0.00 N ATOM 630 CA ARG A 217 5.299 7.273 -8.287 1.00 0.00 C ATOM 631 C ARG A 217 3.935 7.036 -7.677 1.00 0.00 C ATOM 632 O ARG A 217 2.975 6.749 -8.386 1.00 0.00 O ATOM 633 CB ARG A 217 5.246 8.354 -9.373 1.00 0.00 C ATOM 634 CG ARG A 217 5.055 9.756 -8.817 1.00 0.00 C ATOM 635 CD ARG A 217 5.767 10.800 -9.665 1.00 0.00 C ATOM 636 NE ARG A 217 5.616 12.149 -9.114 1.00 0.00 N ATOM 637 CZ ARG A 217 4.493 12.867 -9.187 1.00 0.00 C ATOM 638 NH1 ARG A 217 3.466 12.434 -9.914 1.00 0.00 N ATOM 639 NH2 ARG A 217 4.423 14.042 -8.573 1.00 0.00 N ATOM 0 H ARG A 217 5.088 5.481 -9.346 1.00 0.00 H new ATOM 0 HA ARG A 217 5.990 7.643 -7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 217 6.169 8.323 -9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 217 4.431 8.129 -10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 217 3.991 9.988 -8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 217 5.433 9.797 -7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 217 6.826 10.552 -9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 217 5.369 10.776 -10.680 1.00 0.00 H new ATOM 0 HE ARG A 217 6.420 12.566 -8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 217 3.535 11.550 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 217 2.610 12.986 -9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 217 5.225 14.392 -8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 217 3.567 14.595 -8.626 1.00 0.00 H new ATOM 653 N ALA A 218 3.851 7.105 -6.360 1.00 0.00 N ATOM 654 CA ALA A 218 2.591 6.850 -5.684 1.00 0.00 C ATOM 655 C ALA A 218 2.159 8.024 -4.829 1.00 0.00 C ATOM 656 O ALA A 218 2.891 8.998 -4.666 1.00 0.00 O ATOM 657 CB ALA A 218 2.686 5.591 -4.836 1.00 0.00 C ATOM 0 H ALA A 218 4.631 7.333 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 218 1.834 6.706 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.733 5.416 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.924 4.740 -5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.470 5.714 -4.088 1.00 0.00 H new ATOM 663 N ARG A 219 0.960 7.912 -4.288 1.00 0.00 N ATOM 664 CA ARG A 219 0.388 8.940 -3.448 1.00 0.00 C ATOM 665 C ARG A 219 0.415 8.493 -1.994 1.00 0.00 C ATOM 666 O ARG A 219 0.165 7.326 -1.692 1.00 0.00 O ATOM 667 CB ARG A 219 -1.047 9.227 -3.897 1.00 0.00 C ATOM 668 CG ARG A 219 -1.397 10.705 -3.942 1.00 0.00 C ATOM 669 CD ARG A 219 -2.208 11.139 -2.729 1.00 0.00 C ATOM 670 NE ARG A 219 -3.429 10.343 -2.545 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.447 10.310 -3.415 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.395 11.015 -4.536 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.519 9.573 -3.158 1.00 0.00 N ATOM 0 H ARG A 219 0.356 7.101 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 219 0.974 9.854 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -1.200 8.798 -4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.736 8.721 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.480 11.293 -3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -1.962 10.916 -4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -1.589 11.057 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.478 12.190 -2.835 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.507 9.778 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -3.576 11.588 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -5.174 10.985 -5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.570 9.030 -2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -6.293 9.550 -3.822 1.00 0.00 H new ATOM 687 N ASP A 220 0.715 9.429 -1.108 1.00 0.00 N ATOM 688 CA ASP A 220 0.784 9.158 0.321 1.00 0.00 C ATOM 689 C ASP A 220 -0.623 9.089 0.898 1.00 0.00 C ATOM 690 O ASP A 220 -1.311 8.075 0.766 1.00 0.00 O ATOM 691 CB ASP A 220 1.592 10.270 1.009 1.00 0.00 C ATOM 692 CG ASP A 220 1.829 10.039 2.488 1.00 0.00 C ATOM 693 OD1 ASP A 220 2.471 9.034 2.844 1.00 0.00 O ATOM 694 OD2 ASP A 220 1.388 10.880 3.294 1.00 0.00 O ATOM 0 H ASP A 220 0.917 10.397 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 220 1.278 8.201 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 220 2.555 10.367 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 220 1.069 11.217 0.880 1.00 0.00 H new ATOM 699 N LYS A 221 -1.056 10.171 1.520 1.00 0.00 N ATOM 700 CA LYS A 221 -2.386 10.225 2.098 1.00 0.00 C ATOM 701 C LYS A 221 -3.405 10.791 1.108 1.00 0.00 C ATOM 702 O LYS A 221 -3.874 10.085 0.218 1.00 0.00 O ATOM 703 CB LYS A 221 -2.378 11.012 3.414 1.00 0.00 C ATOM 704 CG LYS A 221 -1.520 12.277 3.414 1.00 0.00 C ATOM 705 CD LYS A 221 -1.446 12.869 4.816 1.00 0.00 C ATOM 706 CE LYS A 221 -0.539 14.089 4.890 1.00 0.00 C ATOM 707 NZ LYS A 221 -1.152 15.287 4.256 1.00 0.00 N ATOM 0 H LYS A 221 -0.507 11.023 1.638 1.00 0.00 H new ATOM 0 HA LYS A 221 -2.694 9.204 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -3.403 11.289 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -2.027 10.355 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -0.517 12.044 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -1.941 13.009 2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -2.448 13.146 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -1.084 12.109 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -0.313 14.308 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 221 0.408 13.865 4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -0.860 16.141 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -0.837 15.356 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -2.188 15.203 4.284 1.00 0.00 H new ATOM 721 N TYR A 222 -3.755 12.060 1.269 1.00 0.00 N ATOM 722 CA TYR A 222 -4.728 12.701 0.393 1.00 0.00 C ATOM 723 C TYR A 222 -4.170 13.963 -0.258 1.00 0.00 C ATOM 724 O TYR A 222 -4.718 15.053 -0.089 1.00 0.00 O ATOM 725 CB TYR A 222 -6.010 13.028 1.174 1.00 0.00 C ATOM 726 CG TYR A 222 -5.776 13.378 2.628 1.00 0.00 C ATOM 727 CD1 TYR A 222 -5.076 14.521 2.999 1.00 0.00 C ATOM 728 CD2 TYR A 222 -6.256 12.551 3.633 1.00 0.00 C ATOM 729 CE1 TYR A 222 -4.862 14.824 4.331 1.00 0.00 C ATOM 730 CE2 TYR A 222 -6.048 12.848 4.963 1.00 0.00 C ATOM 731 CZ TYR A 222 -5.350 13.984 5.309 1.00 0.00 C ATOM 732 OH TYR A 222 -5.136 14.278 6.634 1.00 0.00 O ATOM 0 H TYR A 222 -3.380 12.667 1.998 1.00 0.00 H new ATOM 0 HA TYR A 222 -4.961 11.998 -0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -6.516 13.862 0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -6.683 12.172 1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -4.694 15.182 2.235 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -6.803 11.658 3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -4.315 15.714 4.604 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -6.431 12.192 5.731 1.00 0.00 H new ATOM 0 HH TYR A 222 -5.546 13.585 7.193 1.00 0.00 H new ATOM 742 N GLY A 223 -3.090 13.815 -1.013 1.00 0.00 N ATOM 743 CA GLY A 223 -2.505 14.964 -1.678 1.00 0.00 C ATOM 744 C GLY A 223 -1.023 14.814 -1.943 1.00 0.00 C ATOM 745 O GLY A 223 -0.552 15.125 -3.038 1.00 0.00 O ATOM 0 H GLY A 223 -2.612 12.929 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -3.021 15.129 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.669 15.851 -1.066 1.00 0.00 H new ATOM 749 N SER A 224 -0.289 14.350 -0.940 1.00 0.00 N ATOM 750 CA SER A 224 1.154 14.169 -1.070 1.00 0.00 C ATOM 751 C SER A 224 1.467 13.004 -2.006 1.00 0.00 C ATOM 752 O SER A 224 0.869 11.941 -1.891 1.00 0.00 O ATOM 753 CB SER A 224 1.776 13.904 0.308 1.00 0.00 C ATOM 754 OG SER A 224 1.315 14.834 1.281 1.00 0.00 O ATOM 0 H SER A 224 -0.667 14.092 -0.028 1.00 0.00 H new ATOM 0 HA SER A 224 1.579 15.081 -1.490 1.00 0.00 H new ATOM 0 HB2 SER A 224 1.532 12.891 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.862 13.962 0.234 1.00 0.00 H new ATOM 0 HG SER A 224 1.730 14.635 2.146 1.00 0.00 H new ATOM 760 N GLU A 225 2.406 13.209 -2.920 1.00 0.00 N ATOM 761 CA GLU A 225 2.804 12.171 -3.863 1.00 0.00 C ATOM 762 C GLU A 225 4.286 12.290 -4.190 1.00 0.00 C ATOM 763 O GLU A 225 4.973 13.156 -3.651 1.00 0.00 O ATOM 764 CB GLU A 225 1.962 12.232 -5.148 1.00 0.00 C ATOM 765 CG GLU A 225 1.331 13.588 -5.452 1.00 0.00 C ATOM 766 CD GLU A 225 2.311 14.616 -5.982 1.00 0.00 C ATOM 767 OE1 GLU A 225 3.246 14.992 -5.248 1.00 0.00 O ATOM 768 OE2 GLU A 225 2.142 15.057 -7.133 1.00 0.00 O ATOM 0 H GLU A 225 2.909 14.090 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 225 2.626 11.204 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.593 11.947 -5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 225 1.168 11.488 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 225 0.533 13.451 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 225 0.869 13.975 -4.544 1.00 0.00 H new ATOM 775 N GLY A 226 4.777 11.425 -5.064 1.00 0.00 N ATOM 776 CA GLY A 226 6.178 11.476 -5.423 1.00 0.00 C ATOM 777 C GLY A 226 6.767 10.119 -5.736 1.00 0.00 C ATOM 778 O GLY A 226 6.062 9.102 -5.727 1.00 0.00 O ATOM 0 H GLY A 226 4.236 10.695 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.300 12.126 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.739 11.928 -4.605 1.00 0.00 H new ATOM 782 N TYR A 227 8.071 10.112 -6.006 1.00 0.00 N ATOM 783 CA TYR A 227 8.794 8.884 -6.320 1.00 0.00 C ATOM 784 C TYR A 227 8.817 7.949 -5.122 1.00 0.00 C ATOM 785 O TYR A 227 9.319 8.301 -4.055 1.00 0.00 O ATOM 786 CB TYR A 227 10.232 9.203 -6.737 1.00 0.00 C ATOM 787 CG TYR A 227 10.515 9.007 -8.212 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.512 8.623 -9.098 1.00 0.00 C ATOM 789 CD2 TYR A 227 11.793 9.205 -8.718 1.00 0.00 C ATOM 790 CE1 TYR A 227 9.782 8.444 -10.440 1.00 0.00 C ATOM 791 CE2 TYR A 227 12.066 9.027 -10.059 1.00 0.00 C ATOM 792 CZ TYR A 227 11.057 8.650 -10.912 1.00 0.00 C ATOM 793 OH TYR A 227 11.321 8.482 -12.249 1.00 0.00 O ATOM 0 H TYR A 227 8.651 10.951 -6.013 1.00 0.00 H new ATOM 0 HA TYR A 227 8.276 8.394 -7.144 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.453 10.237 -6.471 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.912 8.574 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 227 8.509 8.463 -8.730 1.00 0.00 H new ATOM 0 HD2 TYR A 227 12.587 9.504 -8.050 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.995 8.143 -11.116 1.00 0.00 H new ATOM 0 HE2 TYR A 227 13.066 9.183 -10.435 1.00 0.00 H new ATOM 0 HH TYR A 227 12.268 8.667 -12.421 1.00 0.00 H new ATOM 803 N ILE A 228 8.281 6.759 -5.303 1.00 0.00 N ATOM 804 CA ILE A 228 8.249 5.778 -4.240 1.00 0.00 C ATOM 805 C ILE A 228 8.780 4.447 -4.727 1.00 0.00 C ATOM 806 O ILE A 228 8.199 3.845 -5.629 1.00 0.00 O ATOM 807 CB ILE A 228 6.816 5.550 -3.718 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.194 6.864 -3.242 1.00 0.00 C ATOM 809 CG2 ILE A 228 6.809 4.525 -2.593 1.00 0.00 C ATOM 810 CD1 ILE A 228 4.907 6.683 -2.473 1.00 0.00 C ATOM 0 H ILE A 228 7.861 6.448 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 228 8.872 6.169 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 228 6.216 5.164 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 228 6.912 7.389 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.004 7.500 -4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 228 5.788 4.380 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.204 3.578 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 228 7.430 4.882 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.525 7.657 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.171 6.187 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.094 6.074 -1.589 1.00 0.00 H new ATOM 822 N PRO A 229 9.877 3.957 -4.133 1.00 0.00 N ATOM 823 CA PRO A 229 10.443 2.672 -4.513 1.00 0.00 C ATOM 824 C PRO A 229 9.500 1.537 -4.158 1.00 0.00 C ATOM 825 O PRO A 229 9.455 1.095 -3.006 1.00 0.00 O ATOM 826 CB PRO A 229 11.722 2.551 -3.689 1.00 0.00 C ATOM 827 CG PRO A 229 11.564 3.523 -2.565 1.00 0.00 C ATOM 828 CD PRO A 229 10.631 4.606 -3.049 1.00 0.00 C ATOM 0 HA PRO A 229 10.622 2.614 -5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 229 11.854 1.536 -3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 229 12.600 2.785 -4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 229 11.158 3.030 -1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 229 12.528 3.943 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 229 9.971 4.951 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.180 5.477 -3.408 1.00 0.00 H new ATOM 836 N SER A 230 8.740 1.074 -5.139 1.00 0.00 N ATOM 837 CA SER A 230 7.792 -0.011 -4.923 1.00 0.00 C ATOM 838 C SER A 230 8.477 -1.292 -4.464 1.00 0.00 C ATOM 839 O SER A 230 7.814 -2.248 -4.059 1.00 0.00 O ATOM 840 CB SER A 230 6.966 -0.255 -6.172 1.00 0.00 C ATOM 841 OG SER A 230 6.044 0.804 -6.342 1.00 0.00 O ATOM 0 H SER A 230 8.761 1.432 -6.094 1.00 0.00 H new ATOM 0 HA SER A 230 7.125 0.298 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 230 7.617 -0.328 -7.043 1.00 0.00 H new ATOM 0 HB3 SER A 230 6.435 -1.204 -6.090 1.00 0.00 H new ATOM 0 HG SER A 230 5.851 0.920 -7.296 1.00 0.00 H new ATOM 847 N ASN A 231 9.804 -1.287 -4.463 1.00 0.00 N ATOM 848 CA ASN A 231 10.560 -2.426 -3.976 1.00 0.00 C ATOM 849 C ASN A 231 10.451 -2.468 -2.448 1.00 0.00 C ATOM 850 O ASN A 231 10.689 -3.491 -1.811 1.00 0.00 O ATOM 851 CB ASN A 231 12.018 -2.359 -4.448 1.00 0.00 C ATOM 852 CG ASN A 231 12.888 -3.424 -3.810 1.00 0.00 C ATOM 853 OD1 ASN A 231 12.651 -4.620 -3.983 1.00 0.00 O ATOM 854 ND2 ASN A 231 13.897 -2.993 -3.068 1.00 0.00 N ATOM 0 H ASN A 231 10.374 -0.508 -4.793 1.00 0.00 H new ATOM 0 HA ASN A 231 10.147 -3.349 -4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 231 12.050 -2.470 -5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 231 12.426 -1.375 -4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 231 14.517 -3.662 -2.611 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.054 -1.992 -2.953 1.00 0.00 H new ATOM 861 N TYR A 232 10.023 -1.340 -1.882 1.00 0.00 N ATOM 862 CA TYR A 232 9.803 -1.209 -0.448 1.00 0.00 C ATOM 863 C TYR A 232 8.328 -1.437 -0.119 1.00 0.00 C ATOM 864 O TYR A 232 7.961 -1.608 1.043 1.00 0.00 O ATOM 865 CB TYR A 232 10.215 0.184 0.042 1.00 0.00 C ATOM 866 CG TYR A 232 11.702 0.387 0.236 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.605 -0.664 0.106 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.203 1.641 0.567 1.00 0.00 C ATOM 869 CE1 TYR A 232 13.959 -0.469 0.301 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.552 1.843 0.764 1.00 0.00 C ATOM 871 CZ TYR A 232 14.426 0.788 0.630 1.00 0.00 C ATOM 872 OH TYR A 232 15.773 0.992 0.830 1.00 0.00 O ATOM 0 H TYR A 232 9.819 -0.491 -2.409 1.00 0.00 H new ATOM 0 HA TYR A 232 10.414 -1.959 0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 232 9.854 0.924 -0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 232 9.711 0.382 0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.242 -1.648 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.522 2.473 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.648 -1.294 0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 232 13.922 2.824 1.022 1.00 0.00 H new ATOM 0 HH TYR A 232 15.932 1.933 1.053 1.00 0.00 H new ATOM 882 N VAL A 233 7.479 -1.433 -1.149 1.00 0.00 N ATOM 883 CA VAL A 233 6.047 -1.643 -0.952 1.00 0.00 C ATOM 884 C VAL A 233 5.650 -3.045 -1.408 1.00 0.00 C ATOM 885 O VAL A 233 6.483 -3.805 -1.905 1.00 0.00 O ATOM 886 CB VAL A 233 5.175 -0.594 -1.694 1.00 0.00 C ATOM 887 CG1 VAL A 233 5.677 0.814 -1.425 1.00 0.00 C ATOM 888 CG2 VAL A 233 5.132 -0.858 -3.188 1.00 0.00 C ATOM 0 H VAL A 233 7.757 -1.288 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 233 5.861 -1.527 0.116 1.00 0.00 H new ATOM 0 HB VAL A 233 4.160 -0.685 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.050 1.531 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 233 5.635 1.017 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 233 6.706 0.906 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 233 4.512 -0.104 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 233 6.142 -0.814 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 233 4.710 -1.846 -3.371 1.00 0.00 H new ATOM 898 N THR A 234 4.383 -3.375 -1.230 1.00 0.00 N ATOM 899 CA THR A 234 3.848 -4.670 -1.609 1.00 0.00 C ATOM 900 C THR A 234 2.350 -4.537 -1.861 1.00 0.00 C ATOM 901 O THR A 234 1.669 -3.810 -1.152 1.00 0.00 O ATOM 902 CB THR A 234 4.110 -5.693 -0.492 1.00 0.00 C ATOM 903 OG1 THR A 234 5.500 -5.927 -0.342 1.00 0.00 O ATOM 904 CG2 THR A 234 3.440 -7.030 -0.719 1.00 0.00 C ATOM 0 H THR A 234 3.693 -2.748 -0.816 1.00 0.00 H new ATOM 0 HA THR A 234 4.338 -5.017 -2.519 1.00 0.00 H new ATOM 0 HB THR A 234 3.682 -5.246 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 234 5.717 -6.008 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.671 -7.698 0.111 1.00 0.00 H new ATOM 0 HG22 THR A 234 2.361 -6.890 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 234 3.805 -7.466 -1.649 1.00 0.00 H new ATOM 912 N GLY A 235 1.835 -5.235 -2.862 1.00 0.00 N ATOM 913 CA GLY A 235 0.412 -5.155 -3.143 1.00 0.00 C ATOM 914 C GLY A 235 -0.375 -6.086 -2.247 1.00 0.00 C ATOM 915 O GLY A 235 -0.213 -6.076 -1.027 1.00 0.00 O ATOM 0 H GLY A 235 2.367 -5.849 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.067 -4.131 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.230 -5.410 -4.187 1.00 0.00 H new ATOM 919 N LYS A 236 -1.206 -6.916 -2.848 1.00 0.00 N ATOM 920 CA LYS A 236 -1.998 -7.883 -2.097 1.00 0.00 C ATOM 921 C LYS A 236 -1.168 -9.135 -1.799 1.00 0.00 C ATOM 922 O LYS A 236 -1.696 -10.245 -1.817 1.00 0.00 O ATOM 923 CB LYS A 236 -3.259 -8.269 -2.875 1.00 0.00 C ATOM 924 CG LYS A 236 -2.981 -8.809 -4.273 1.00 0.00 C ATOM 925 CD LYS A 236 -4.183 -9.561 -4.821 1.00 0.00 C ATOM 926 CE LYS A 236 -3.879 -10.204 -6.164 1.00 0.00 C ATOM 927 NZ LYS A 236 -5.016 -11.022 -6.651 1.00 0.00 N ATOM 0 H LYS A 236 -1.353 -6.943 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.295 -7.421 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.808 -9.021 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.906 -7.396 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -2.729 -7.985 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.116 -9.472 -4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -4.487 -10.329 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -5.024 -8.875 -4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -3.649 -9.429 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -2.992 -10.831 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -4.771 -11.444 -7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -5.219 -11.777 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -5.856 -10.419 -6.760 1.00 0.00 H new