USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.947 K(o=-0.95,f=-0.38) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc=-0.000458 X(o=-0.00046,f=-0.036) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0482) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.478 (180deg=-1.02) USER MOD Single : A 49 GLN : amide:sc= -2.74 K(o=-2.7,f=-3.7!) USER MOD Single : A 60 SER OG : rot -43:sc= 0.395 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 0.217 -8.291 -13.961 1.00 0.00 N ATOM 90 CA ILE A 10 -0.314 -7.281 -13.054 1.00 0.00 C ATOM 91 C ILE A 10 -1.246 -7.906 -12.021 1.00 0.00 C ATOM 92 O ILE A 10 -2.109 -8.717 -12.357 1.00 0.00 O ATOM 93 CB ILE A 10 -1.076 -6.182 -13.818 1.00 0.00 C ATOM 94 CG1 ILE A 10 -0.156 -5.506 -14.836 1.00 0.00 C ATOM 95 CG2 ILE A 10 -1.644 -5.158 -12.847 1.00 0.00 C ATOM 96 CD1 ILE A 10 -0.889 -4.944 -16.033 1.00 0.00 C ATOM 0 HA ILE A 10 0.540 -6.833 -12.546 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.905 -6.642 -14.356 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.389 -4.701 -14.343 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.585 -6.228 -15.180 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.180 -4.388 -13.402 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.329 -5.651 -12.158 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.831 -4.700 -12.284 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.174 -4.480 -16.712 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.412 -5.749 -16.550 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.611 -4.198 -15.700 1.00 0.00 H new ATOM 108 N VAL A 11 -1.067 -7.521 -10.761 1.00 0.00 N ATOM 109 CA VAL A 11 -1.893 -8.040 -9.678 1.00 0.00 C ATOM 110 C VAL A 11 -2.759 -6.942 -9.071 1.00 0.00 C ATOM 111 O VAL A 11 -2.257 -5.889 -8.676 1.00 0.00 O ATOM 112 CB VAL A 11 -1.032 -8.672 -8.568 1.00 0.00 C ATOM 113 CG1 VAL A 11 -1.914 -9.263 -7.479 1.00 0.00 C ATOM 114 CG2 VAL A 11 -0.107 -9.730 -9.149 1.00 0.00 C ATOM 0 H VAL A 11 -0.357 -6.851 -10.466 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.535 -8.807 -10.111 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.417 -7.891 -8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.288 -9.705 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.530 -8.477 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.557 -10.032 -7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.494 -10.166 -8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.701 -10.511 -9.624 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.550 -9.272 -9.889 1.00 0.00 H new ATOM 124 N SER A 12 -4.062 -7.194 -9.000 1.00 0.00 N ATOM 125 CA SER A 12 -4.999 -6.225 -8.445 1.00 0.00 C ATOM 126 C SER A 12 -5.576 -6.723 -7.123 1.00 0.00 C ATOM 127 O SER A 12 -6.150 -7.809 -7.054 1.00 0.00 O ATOM 128 CB SER A 12 -6.131 -5.951 -9.437 1.00 0.00 C ATOM 129 OG SER A 12 -5.666 -5.203 -10.547 1.00 0.00 O ATOM 0 H SER A 12 -4.493 -8.061 -9.320 1.00 0.00 H new ATOM 0 HA SER A 12 -4.456 -5.298 -8.259 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.553 -6.895 -9.782 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.933 -5.407 -8.938 1.00 0.00 H new ATOM 0 HG SER A 12 -6.408 -5.042 -11.167 1.00 0.00 H new ATOM 135 N ALA A 13 -5.418 -5.919 -6.076 1.00 0.00 N ATOM 136 CA ALA A 13 -5.924 -6.276 -4.756 1.00 0.00 C ATOM 137 C ALA A 13 -6.981 -5.282 -4.286 1.00 0.00 C ATOM 138 O ALA A 13 -6.986 -4.125 -4.704 1.00 0.00 O ATOM 139 CB ALA A 13 -4.781 -6.348 -3.754 1.00 0.00 C ATOM 0 H ALA A 13 -4.944 -5.017 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.392 -7.258 -4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.174 -6.615 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.062 -7.102 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.287 -5.378 -3.695 1.00 0.00 H new ATOM 145 N GLU A 14 -7.874 -5.743 -3.416 1.00 0.00 N ATOM 146 CA GLU A 14 -8.936 -4.893 -2.891 1.00 0.00 C ATOM 147 C GLU A 14 -8.907 -4.864 -1.366 1.00 0.00 C ATOM 148 O GLU A 14 -8.960 -5.906 -0.714 1.00 0.00 O ATOM 149 CB GLU A 14 -10.301 -5.386 -3.376 1.00 0.00 C ATOM 150 CG GLU A 14 -11.473 -4.670 -2.727 1.00 0.00 C ATOM 151 CD GLU A 14 -12.753 -4.799 -3.530 1.00 0.00 C ATOM 152 OE1 GLU A 14 -12.867 -4.130 -4.578 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.641 -5.571 -3.109 1.00 0.00 O ATOM 0 H GLU A 14 -7.883 -6.699 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.771 -3.881 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.361 -5.258 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.384 -6.454 -3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.633 -5.075 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.228 -3.615 -2.608 1.00 0.00 H new ATOM 160 N ALA A 15 -8.820 -3.663 -0.804 1.00 0.00 N ATOM 161 CA ALA A 15 -8.784 -3.497 0.644 1.00 0.00 C ATOM 162 C ALA A 15 -9.979 -4.178 1.304 1.00 0.00 C ATOM 163 O ALA A 15 -11.121 -3.750 1.135 1.00 0.00 O ATOM 164 CB ALA A 15 -8.750 -2.020 1.005 1.00 0.00 C ATOM 0 H ALA A 15 -8.773 -2.790 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.877 -3.972 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.723 -1.911 2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.862 -1.560 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.641 -1.529 0.613 1.00 0.00 H new ATOM 170 N VAL A 16 -9.708 -5.240 2.055 1.00 0.00 N ATOM 171 CA VAL A 16 -10.761 -5.980 2.741 1.00 0.00 C ATOM 172 C VAL A 16 -11.353 -5.162 3.883 1.00 0.00 C ATOM 173 O VAL A 16 -12.570 -5.119 4.064 1.00 0.00 O ATOM 174 CB VAL A 16 -10.236 -7.316 3.299 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.393 -8.225 3.684 1.00 0.00 C ATOM 176 CG2 VAL A 16 -9.327 -7.996 2.286 1.00 0.00 C ATOM 0 H VAL A 16 -8.768 -5.608 2.204 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.537 -6.183 2.003 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.652 -7.111 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.003 -9.164 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.000 -7.738 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.006 -8.426 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.965 -8.939 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.884 -8.190 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.479 -7.347 2.065 1.00 0.00 H new ATOM 186 N TRP A 17 -10.484 -4.514 4.651 1.00 0.00 N ATOM 187 CA TRP A 17 -10.921 -3.696 5.777 1.00 0.00 C ATOM 188 C TRP A 17 -10.144 -2.385 5.831 1.00 0.00 C ATOM 189 O TRP A 17 -8.936 -2.359 5.597 1.00 0.00 O ATOM 190 CB TRP A 17 -10.744 -4.462 7.089 1.00 0.00 C ATOM 191 CG TRP A 17 -11.574 -5.708 7.166 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.198 -6.967 6.794 1.00 0.00 C ATOM 193 CD2 TRP A 17 -12.920 -5.813 7.642 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.229 -7.849 7.010 1.00 0.00 N ATOM 195 CE2 TRP A 17 -13.296 -7.166 7.531 1.00 0.00 C ATOM 196 CE3 TRP A 17 -13.843 -4.897 8.153 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -14.556 -7.622 7.911 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -15.093 -5.351 8.529 1.00 0.00 C ATOM 199 CH2 TRP A 17 -15.440 -6.703 8.408 1.00 0.00 C ATOM 0 H TRP A 17 -9.473 -4.539 4.515 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.977 -3.465 5.638 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.693 -4.726 7.208 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.005 -3.808 7.921 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -10.232 -7.231 6.389 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.204 -8.850 6.814 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -13.584 -3.853 8.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -14.826 -8.664 7.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -15.815 -4.651 8.923 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -16.424 -7.026 8.713 1.00 0.00 H new ATOM 210 N ASP A 18 -10.845 -1.300 6.141 1.00 0.00 N ATOM 211 CA ASP A 18 -10.220 0.015 6.227 1.00 0.00 C ATOM 212 C ASP A 18 -8.912 -0.055 7.008 1.00 0.00 C ATOM 213 O ASP A 18 -8.911 -0.265 8.221 1.00 0.00 O ATOM 214 CB ASP A 18 -11.171 1.013 6.889 1.00 0.00 C ATOM 215 CG ASP A 18 -11.838 0.443 8.126 1.00 0.00 C ATOM 216 OD1 ASP A 18 -11.202 0.452 9.201 1.00 0.00 O ATOM 217 OD2 ASP A 18 -12.996 -0.010 8.020 1.00 0.00 O ATOM 0 H ASP A 18 -11.846 -1.305 6.337 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.000 0.352 5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.618 1.913 7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.936 1.312 6.172 1.00 0.00 H new ATOM 222 N HIS A 19 -7.798 0.121 6.304 1.00 0.00 N ATOM 223 CA HIS A 19 -6.482 0.077 6.931 1.00 0.00 C ATOM 224 C HIS A 19 -6.030 1.475 7.343 1.00 0.00 C ATOM 225 O HIS A 19 -5.610 2.275 6.506 1.00 0.00 O ATOM 226 CB HIS A 19 -5.460 -0.542 5.978 1.00 0.00 C ATOM 227 CG HIS A 19 -4.039 -0.336 6.407 1.00 0.00 C ATOM 228 ND1 HIS A 19 -3.211 0.609 5.839 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.302 -0.959 7.356 1.00 0.00 C ATOM 230 CE1 HIS A 19 -2.025 0.557 6.419 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.054 -0.386 7.343 1.00 0.00 N ATOM 0 H HIS A 19 -7.781 0.295 5.299 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.553 -0.541 7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.654 -1.611 5.895 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.597 -0.115 4.985 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.634 -1.758 8.003 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.176 1.180 6.178 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.276 -0.647 7.949 1.00 0.00 H new ATOM 240 N VAL A 20 -6.119 1.764 8.637 1.00 0.00 N ATOM 241 CA VAL A 20 -5.718 3.065 9.160 1.00 0.00 C ATOM 242 C VAL A 20 -4.271 3.043 9.637 1.00 0.00 C ATOM 243 O VAL A 20 -3.807 2.055 10.208 1.00 0.00 O ATOM 244 CB VAL A 20 -6.625 3.504 10.325 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.021 3.836 9.820 1.00 0.00 C ATOM 246 CG2 VAL A 20 -6.679 2.424 11.395 1.00 0.00 C ATOM 0 H VAL A 20 -6.465 1.115 9.343 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.817 3.780 8.343 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.203 4.404 10.771 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.647 4.144 10.657 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.962 4.647 9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.456 2.956 9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.324 2.751 12.210 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.076 1.505 10.964 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.675 2.241 11.778 1.00 0.00 H new ATOM 256 N THR A 21 -3.559 4.141 9.400 1.00 0.00 N ATOM 257 CA THR A 21 -2.163 4.249 9.805 1.00 0.00 C ATOM 258 C THR A 21 -1.675 5.690 9.716 1.00 0.00 C ATOM 259 O THR A 21 -2.136 6.461 8.875 1.00 0.00 O ATOM 260 CB THR A 21 -1.256 3.357 8.936 1.00 0.00 C ATOM 261 OG1 THR A 21 0.098 3.441 9.395 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.328 3.773 7.475 1.00 0.00 C ATOM 0 H THR A 21 -3.927 4.968 8.930 1.00 0.00 H new ATOM 0 HA THR A 21 -2.107 3.913 10.840 1.00 0.00 H new ATOM 0 HB THR A 21 -1.605 2.328 9.022 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.668 2.870 8.839 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.679 3.129 6.881 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.355 3.680 7.120 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.002 4.808 7.375 1.00 0.00 H new ATOM 270 N MET A 22 -0.737 6.047 10.588 1.00 0.00 N ATOM 271 CA MET A 22 -0.185 7.397 10.606 1.00 0.00 C ATOM 272 C MET A 22 1.338 7.362 10.525 1.00 0.00 C ATOM 273 O MET A 22 2.026 7.989 11.330 1.00 0.00 O ATOM 274 CB MET A 22 -0.624 8.133 11.873 1.00 0.00 C ATOM 275 CG MET A 22 -2.019 8.728 11.778 1.00 0.00 C ATOM 276 SD MET A 22 -3.308 7.552 12.231 1.00 0.00 S ATOM 277 CE MET A 22 -3.459 7.874 13.987 1.00 0.00 C ATOM 0 H MET A 22 -0.344 5.421 11.291 1.00 0.00 H new ATOM 0 HA MET A 22 -0.565 7.931 9.735 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.589 7.442 12.715 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.088 8.930 12.085 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.083 9.600 12.429 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.192 9.077 10.760 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.221 7.221 14.412 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.504 7.683 14.475 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.744 8.914 14.143 1.00 0.00 H new ATOM 287 N ALA A 23 1.857 6.625 9.549 1.00 0.00 N ATOM 288 CA ALA A 23 3.298 6.511 9.362 1.00 0.00 C ATOM 289 C ALA A 23 3.786 7.452 8.266 1.00 0.00 C ATOM 290 O ALA A 23 2.995 7.959 7.472 1.00 0.00 O ATOM 291 CB ALA A 23 3.676 5.074 9.034 1.00 0.00 C ATOM 0 H ALA A 23 1.301 6.098 8.876 1.00 0.00 H new ATOM 0 HA ALA A 23 3.784 6.799 10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.755 5.004 8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.371 4.422 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.173 4.766 8.117 1.00 0.00 H new ATOM 297 N ASN A 24 5.095 7.681 8.229 1.00 0.00 N ATOM 298 CA ASN A 24 5.688 8.563 7.230 1.00 0.00 C ATOM 299 C ASN A 24 5.582 7.954 5.835 1.00 0.00 C ATOM 300 O ASN A 24 6.034 6.833 5.600 1.00 0.00 O ATOM 301 CB ASN A 24 7.155 8.837 7.568 1.00 0.00 C ATOM 302 CG ASN A 24 7.313 9.900 8.638 1.00 0.00 C ATOM 303 OD1 ASN A 24 6.883 11.041 8.463 1.00 0.00 O ATOM 304 ND2 ASN A 24 7.932 9.530 9.753 1.00 0.00 N ATOM 0 H ASN A 24 5.765 7.268 8.879 1.00 0.00 H new ATOM 0 HA ASN A 24 5.137 9.504 7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.626 7.914 7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.680 9.152 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.068 10.202 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.272 8.574 9.854 1.00 0.00 H new ATOM 311 N ARG A 25 4.982 8.700 4.914 1.00 0.00 N ATOM 312 CA ARG A 25 4.816 8.234 3.542 1.00 0.00 C ATOM 313 C ARG A 25 4.036 6.923 3.505 1.00 0.00 C ATOM 314 O ARG A 25 4.428 5.977 2.822 1.00 0.00 O ATOM 315 CB ARG A 25 6.180 8.048 2.875 1.00 0.00 C ATOM 316 CG ARG A 25 6.951 9.345 2.694 1.00 0.00 C ATOM 317 CD ARG A 25 7.783 9.675 3.923 1.00 0.00 C ATOM 318 NE ARG A 25 8.885 10.581 3.611 1.00 0.00 N ATOM 319 CZ ARG A 25 9.963 10.719 4.375 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.083 10.012 5.491 1.00 0.00 N ATOM 321 NH2 ARG A 25 10.923 11.564 4.024 1.00 0.00 N ATOM 0 H ARG A 25 4.603 9.630 5.092 1.00 0.00 H new ATOM 0 HA ARG A 25 4.252 8.989 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.777 7.361 3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.038 7.581 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.602 9.264 1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.254 10.159 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.145 10.128 4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.181 8.754 4.350 1.00 0.00 H new ATOM 0 HE ARG A 25 8.824 11.139 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.347 9.361 5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.912 10.119 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.834 12.109 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.750 11.669 4.612 1.00 0.00 H new ATOM 335 N GLU A 26 2.932 6.875 4.243 1.00 0.00 N ATOM 336 CA GLU A 26 2.099 5.679 4.295 1.00 0.00 C ATOM 337 C GLU A 26 1.019 5.722 3.217 1.00 0.00 C ATOM 338 O GLU A 26 0.980 6.639 2.396 1.00 0.00 O ATOM 339 CB GLU A 26 1.453 5.540 5.675 1.00 0.00 C ATOM 340 CG GLU A 26 0.259 6.456 5.884 1.00 0.00 C ATOM 341 CD GLU A 26 0.517 7.870 5.399 1.00 0.00 C ATOM 342 OE1 GLU A 26 1.039 8.682 6.191 1.00 0.00 O ATOM 343 OE2 GLU A 26 0.197 8.163 4.228 1.00 0.00 O ATOM 0 H GLU A 26 2.593 7.650 4.813 1.00 0.00 H new ATOM 0 HA GLU A 26 2.737 4.814 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.136 4.507 5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.201 5.751 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.604 6.047 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.005 6.480 6.944 1.00 0.00 H new ATOM 350 N LEU A 27 0.143 4.723 3.226 1.00 0.00 N ATOM 351 CA LEU A 27 -0.938 4.645 2.251 1.00 0.00 C ATOM 352 C LEU A 27 -2.264 4.319 2.932 1.00 0.00 C ATOM 353 O LEU A 27 -2.608 3.152 3.117 1.00 0.00 O ATOM 354 CB LEU A 27 -0.622 3.586 1.193 1.00 0.00 C ATOM 355 CG LEU A 27 -1.467 3.635 -0.080 1.00 0.00 C ATOM 356 CD1 LEU A 27 -1.242 4.944 -0.820 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.146 2.450 -0.980 1.00 0.00 C ATOM 0 H LEU A 27 0.161 3.956 3.898 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.028 5.618 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.427 3.683 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.741 2.602 1.646 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.518 3.577 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.852 4.961 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.523 5.778 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.190 5.033 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.757 2.502 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.091 2.477 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.359 1.522 -0.450 1.00 0.00 H new ATOM 369 N ALA A 28 -3.005 5.359 3.300 1.00 0.00 N ATOM 370 CA ALA A 28 -4.295 5.184 3.956 1.00 0.00 C ATOM 371 C ALA A 28 -5.414 5.025 2.933 1.00 0.00 C ATOM 372 O ALA A 28 -5.631 5.900 2.094 1.00 0.00 O ATOM 373 CB ALA A 28 -4.582 6.360 4.877 1.00 0.00 C ATOM 0 H ALA A 28 -2.734 6.332 3.155 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.251 4.272 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.548 6.216 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.803 6.426 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.601 7.282 4.295 1.00 0.00 H new ATOM 379 N PHE A 29 -6.122 3.903 3.007 1.00 0.00 N ATOM 380 CA PHE A 29 -7.219 3.629 2.086 1.00 0.00 C ATOM 381 C PHE A 29 -8.431 3.079 2.832 1.00 0.00 C ATOM 382 O PHE A 29 -8.374 2.833 4.037 1.00 0.00 O ATOM 383 CB PHE A 29 -6.773 2.635 1.011 1.00 0.00 C ATOM 384 CG PHE A 29 -6.023 1.455 1.560 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.703 0.348 2.041 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.638 1.452 1.593 1.00 0.00 C ATOM 387 CE1 PHE A 29 -6.015 -0.739 2.547 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.945 0.368 2.098 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.634 -0.729 2.574 1.00 0.00 C ATOM 0 H PHE A 29 -5.956 3.169 3.695 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.503 4.567 1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.650 2.279 0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.142 3.152 0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.783 0.334 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.093 2.307 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.557 -1.595 2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.865 0.379 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.094 -1.578 2.967 1.00 0.00 H new ATOM 399 N LYS A 30 -9.528 2.889 2.107 1.00 0.00 N ATOM 400 CA LYS A 30 -10.755 2.368 2.697 1.00 0.00 C ATOM 401 C LYS A 30 -11.189 1.081 2.003 1.00 0.00 C ATOM 402 O LYS A 30 -10.850 0.845 0.844 1.00 0.00 O ATOM 403 CB LYS A 30 -11.872 3.410 2.605 1.00 0.00 C ATOM 404 CG LYS A 30 -11.728 4.546 3.604 1.00 0.00 C ATOM 405 CD LYS A 30 -12.140 4.116 5.001 1.00 0.00 C ATOM 406 CE LYS A 30 -13.651 3.988 5.123 1.00 0.00 C ATOM 407 NZ LYS A 30 -14.056 3.423 6.439 1.00 0.00 N ATOM 0 H LYS A 30 -9.592 3.088 1.109 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.558 2.146 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.889 3.824 1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.831 2.917 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.694 4.890 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.340 5.390 3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.673 3.161 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.776 4.841 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.110 4.968 4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.027 3.350 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.090 3.477 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.754 2.429 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.607 3.967 7.203 1.00 0.00 H new ATOM 421 N ALA A 31 -11.942 0.252 2.720 1.00 0.00 N ATOM 422 CA ALA A 31 -12.424 -1.009 2.171 1.00 0.00 C ATOM 423 C ALA A 31 -13.068 -0.803 0.804 1.00 0.00 C ATOM 424 O ALA A 31 -14.148 -0.224 0.697 1.00 0.00 O ATOM 425 CB ALA A 31 -13.412 -1.657 3.130 1.00 0.00 C ATOM 0 H ALA A 31 -12.231 0.432 3.682 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.569 -1.672 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.765 -2.598 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.921 -1.848 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.259 -0.989 3.286 1.00 0.00 H new ATOM 431 N GLY A 32 -12.395 -1.280 -0.239 1.00 0.00 N ATOM 432 CA GLY A 32 -12.917 -1.137 -1.586 1.00 0.00 C ATOM 433 C GLY A 32 -11.894 -0.564 -2.546 1.00 0.00 C ATOM 434 O GLY A 32 -11.782 -1.014 -3.686 1.00 0.00 O ATOM 0 H GLY A 32 -11.499 -1.762 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.247 -2.110 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.794 -0.490 -1.566 1.00 0.00 H new ATOM 438 N ASP A 33 -11.147 0.433 -2.086 1.00 0.00 N ATOM 439 CA ASP A 33 -10.128 1.070 -2.912 1.00 0.00 C ATOM 440 C ASP A 33 -9.220 0.026 -3.555 1.00 0.00 C ATOM 441 O ASP A 33 -8.670 -0.839 -2.873 1.00 0.00 O ATOM 442 CB ASP A 33 -9.295 2.042 -2.075 1.00 0.00 C ATOM 443 CG ASP A 33 -9.978 3.383 -1.895 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.721 3.798 -2.809 1.00 0.00 O ATOM 445 OD2 ASP A 33 -9.770 4.019 -0.840 1.00 0.00 O ATOM 0 H ASP A 33 -11.228 0.818 -1.145 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.632 1.625 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.102 1.602 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.327 2.192 -2.554 1.00 0.00 H new ATOM 450 N VAL A 34 -9.067 0.113 -4.873 1.00 0.00 N ATOM 451 CA VAL A 34 -8.226 -0.824 -5.608 1.00 0.00 C ATOM 452 C VAL A 34 -6.821 -0.265 -5.804 1.00 0.00 C ATOM 453 O VAL A 34 -6.639 0.772 -6.443 1.00 0.00 O ATOM 454 CB VAL A 34 -8.830 -1.158 -6.986 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.916 -2.101 -7.754 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.218 -1.760 -6.827 1.00 0.00 C ATOM 0 H VAL A 34 -9.514 0.823 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.172 -1.735 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.923 -0.234 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.358 -2.326 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.944 -1.628 -7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.790 -3.025 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.630 -1.990 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.153 -2.675 -6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.868 -1.047 -6.319 1.00 0.00 H new ATOM 466 N ILE A 35 -5.832 -0.958 -5.250 1.00 0.00 N ATOM 467 CA ILE A 35 -4.443 -0.531 -5.364 1.00 0.00 C ATOM 468 C ILE A 35 -3.685 -1.392 -6.368 1.00 0.00 C ATOM 469 O ILE A 35 -3.788 -2.619 -6.353 1.00 0.00 O ATOM 470 CB ILE A 35 -3.722 -0.590 -4.005 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.516 0.181 -2.948 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.313 -0.031 -4.128 1.00 0.00 C ATOM 473 CD1 ILE A 35 -5.525 -0.671 -2.210 1.00 0.00 C ATOM 0 H ILE A 35 -5.967 -1.818 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.458 0.502 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.653 -1.632 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.822 0.614 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.035 1.010 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.816 -0.080 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.751 -0.618 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.361 1.006 -4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.051 -0.059 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.242 -1.083 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.010 -1.486 -1.701 1.00 0.00 H new ATOM 485 N LYS A 36 -2.920 -0.742 -7.238 1.00 0.00 N ATOM 486 CA LYS A 36 -2.139 -1.448 -8.248 1.00 0.00 C ATOM 487 C LYS A 36 -0.871 -2.039 -7.640 1.00 0.00 C ATOM 488 O LYS A 36 0.126 -1.341 -7.458 1.00 0.00 O ATOM 489 CB LYS A 36 -1.775 -0.501 -9.394 1.00 0.00 C ATOM 490 CG LYS A 36 -1.206 -1.209 -10.611 1.00 0.00 C ATOM 491 CD LYS A 36 -2.301 -1.607 -11.586 1.00 0.00 C ATOM 492 CE LYS A 36 -2.566 -0.509 -12.605 1.00 0.00 C ATOM 493 NZ LYS A 36 -3.350 0.613 -12.019 1.00 0.00 N ATOM 0 H LYS A 36 -2.824 0.273 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.748 -2.264 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.664 0.055 -9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.048 0.228 -9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.491 -0.556 -11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.659 -2.097 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.014 -2.523 -12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.217 -1.824 -11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.618 -0.130 -12.985 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.107 -0.925 -13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.782 1.171 -12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.097 0.231 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.719 1.222 -11.460 1.00 0.00 H new ATOM 507 N VAL A 37 -0.917 -3.331 -7.330 1.00 0.00 N ATOM 508 CA VAL A 37 0.229 -4.018 -6.746 1.00 0.00 C ATOM 509 C VAL A 37 1.376 -4.122 -7.745 1.00 0.00 C ATOM 510 O VAL A 37 1.211 -4.657 -8.842 1.00 0.00 O ATOM 511 CB VAL A 37 -0.148 -5.431 -6.265 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.004 -6.060 -5.497 1.00 0.00 C ATOM 513 CG2 VAL A 37 -1.406 -5.385 -5.411 1.00 0.00 C ATOM 0 H VAL A 37 -1.735 -3.923 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 37 0.550 -3.425 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.351 -6.050 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.718 -7.058 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.878 -6.129 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.243 -5.444 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.658 -6.392 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.233 -4.750 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.230 -4.980 -5.998 1.00 0.00 H new ATOM 523 N LEU A 38 2.538 -3.607 -7.360 1.00 0.00 N ATOM 524 CA LEU A 38 3.714 -3.643 -8.222 1.00 0.00 C ATOM 525 C LEU A 38 4.733 -4.657 -7.712 1.00 0.00 C ATOM 526 O LEU A 38 5.228 -5.490 -8.472 1.00 0.00 O ATOM 527 CB LEU A 38 4.355 -2.256 -8.301 1.00 0.00 C ATOM 528 CG LEU A 38 3.407 -1.096 -8.607 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.099 0.237 -8.363 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.902 -1.182 -10.040 1.00 0.00 C ATOM 0 H LEU A 38 2.691 -3.159 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 38 3.394 -3.947 -9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.852 -2.053 -7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.129 -2.278 -9.068 1.00 0.00 H new ATOM 0 HG LEU A 38 2.550 -1.166 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.409 1.051 -8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.410 0.300 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.974 0.316 -9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.229 -0.348 -10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.747 -1.138 -10.727 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.368 -2.121 -10.182 1.00 0.00 H new ATOM 542 N ASP A 39 5.040 -4.583 -6.422 1.00 0.00 N ATOM 543 CA ASP A 39 5.997 -5.497 -5.809 1.00 0.00 C ATOM 544 C ASP A 39 5.282 -6.539 -4.955 1.00 0.00 C ATOM 545 O ASP A 39 4.938 -6.281 -3.802 1.00 0.00 O ATOM 546 CB ASP A 39 7.001 -4.720 -4.955 1.00 0.00 C ATOM 547 CG ASP A 39 7.931 -3.863 -5.790 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.524 -4.395 -6.752 1.00 0.00 O ATOM 549 OD2 ASP A 39 8.066 -2.660 -5.483 1.00 0.00 O ATOM 0 H ASP A 39 4.640 -3.899 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 39 6.533 -6.013 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.461 -4.086 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.590 -5.421 -4.364 1.00 0.00 H new ATOM 554 N ALA A 40 5.062 -7.717 -5.529 1.00 0.00 N ATOM 555 CA ALA A 40 4.390 -8.799 -4.821 1.00 0.00 C ATOM 556 C ALA A 40 5.259 -10.051 -4.778 1.00 0.00 C ATOM 557 O ALA A 40 5.058 -10.985 -5.554 1.00 0.00 O ATOM 558 CB ALA A 40 3.051 -9.106 -5.475 1.00 0.00 C ATOM 0 H ALA A 40 5.340 -7.946 -6.483 1.00 0.00 H new ATOM 0 HA ALA A 40 4.215 -8.475 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.560 -9.916 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.420 -8.217 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.212 -9.405 -6.511 1.00 0.00 H new ATOM 611 N ASP A 44 4.332 -10.746 3.245 1.00 0.00 N ATOM 612 CA ASP A 44 4.629 -9.916 4.408 1.00 0.00 C ATOM 613 C ASP A 44 4.488 -8.436 4.069 1.00 0.00 C ATOM 614 O ASP A 44 3.541 -7.778 4.501 1.00 0.00 O ATOM 615 CB ASP A 44 6.042 -10.203 4.918 1.00 0.00 C ATOM 616 CG ASP A 44 6.074 -11.326 5.936 1.00 0.00 C ATOM 617 OD1 ASP A 44 5.278 -12.277 5.794 1.00 0.00 O ATOM 618 OD2 ASP A 44 6.893 -11.252 6.876 1.00 0.00 O ATOM 0 HA ASP A 44 3.912 -10.161 5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.683 -10.462 4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.454 -9.299 5.366 1.00 0.00 H new ATOM 623 N TRP A 45 5.435 -7.918 3.296 1.00 0.00 N ATOM 624 CA TRP A 45 5.417 -6.514 2.900 1.00 0.00 C ATOM 625 C TRP A 45 5.110 -6.371 1.414 1.00 0.00 C ATOM 626 O TRP A 45 5.895 -6.796 0.565 1.00 0.00 O ATOM 627 CB TRP A 45 6.759 -5.855 3.222 1.00 0.00 C ATOM 628 CG TRP A 45 6.858 -5.370 4.637 1.00 0.00 C ATOM 629 CD1 TRP A 45 7.862 -5.633 5.525 1.00 0.00 C ATOM 630 CD2 TRP A 45 5.917 -4.540 5.327 1.00 0.00 C ATOM 631 NE1 TRP A 45 7.602 -5.017 6.725 1.00 0.00 N ATOM 632 CE2 TRP A 45 6.415 -4.339 6.629 1.00 0.00 C ATOM 633 CE3 TRP A 45 4.704 -3.946 4.971 1.00 0.00 C ATOM 634 CZ2 TRP A 45 5.740 -3.571 7.573 1.00 0.00 C ATOM 635 CZ3 TRP A 45 4.034 -3.184 5.909 1.00 0.00 C ATOM 636 CH2 TRP A 45 4.554 -3.001 7.197 1.00 0.00 C ATOM 0 H TRP A 45 6.226 -8.449 2.931 1.00 0.00 H new ATOM 0 HA TRP A 45 4.630 -6.014 3.464 1.00 0.00 H new ATOM 0 HB2 TRP A 45 7.561 -6.569 3.033 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.915 -5.015 2.546 1.00 0.00 H new ATOM 0 HD1 TRP A 45 8.732 -6.237 5.315 1.00 0.00 H new ATOM 0 HE1 TRP A 45 8.196 -5.058 7.553 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.297 -4.080 3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.138 -3.430 8.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.094 -2.722 5.645 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.008 -2.398 7.907 1.00 0.00 H new ATOM 647 N TRP A 46 3.966 -5.771 1.105 1.00 0.00 N ATOM 648 CA TRP A 46 3.557 -5.573 -0.280 1.00 0.00 C ATOM 649 C TRP A 46 3.366 -4.091 -0.585 1.00 0.00 C ATOM 650 O TRP A 46 2.787 -3.354 0.213 1.00 0.00 O ATOM 651 CB TRP A 46 2.262 -6.336 -0.565 1.00 0.00 C ATOM 652 CG TRP A 46 2.492 -7.735 -1.050 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.683 -8.400 -1.101 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.504 -8.640 -1.555 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.496 -9.664 -1.606 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.167 -9.836 -1.892 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.123 -8.557 -1.753 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.496 -10.937 -2.417 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.542 -9.651 -2.274 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.144 -10.828 -2.600 1.00 0.00 C ATOM 0 H TRP A 46 3.306 -5.413 1.795 1.00 0.00 H new ATOM 0 HA TRP A 46 4.347 -5.958 -0.925 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.660 -6.368 0.343 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.684 -5.791 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.633 -7.992 -0.790 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.228 -10.361 -1.745 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.415 -7.654 -1.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.023 -11.845 -2.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.609 -9.597 -2.432 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.405 -11.666 -3.004 1.00 0.00 H new ATOM 671 N TRP A 47 3.856 -3.662 -1.742 1.00 0.00 N ATOM 672 CA TRP A 47 3.738 -2.267 -2.151 1.00 0.00 C ATOM 673 C TRP A 47 2.508 -2.058 -3.026 1.00 0.00 C ATOM 674 O TRP A 47 2.040 -2.984 -3.687 1.00 0.00 O ATOM 675 CB TRP A 47 4.995 -1.826 -2.903 1.00 0.00 C ATOM 676 CG TRP A 47 4.969 -0.385 -3.312 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.400 0.138 -4.438 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.538 0.719 -2.598 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.581 1.499 -4.468 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.275 1.881 -3.350 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.241 0.839 -1.397 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.693 3.143 -2.939 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.655 2.093 -0.990 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.380 3.232 -1.759 1.00 0.00 C ATOM 0 H TRP A 47 4.339 -4.259 -2.413 1.00 0.00 H new ATOM 0 HA TRP A 47 3.629 -1.660 -1.253 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.867 -2.001 -2.273 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.114 -2.446 -3.791 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.883 -0.435 -5.194 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.252 2.124 -5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.457 -0.033 -0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.483 4.022 -3.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.200 2.197 -0.063 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.717 4.198 -1.414 1.00 0.00 H new ATOM 695 N GLY A 48 1.987 -0.834 -3.026 1.00 0.00 N ATOM 696 CA GLY A 48 0.815 -0.527 -3.825 1.00 0.00 C ATOM 697 C GLY A 48 0.843 0.885 -4.376 1.00 0.00 C ATOM 698 O GLY A 48 1.209 1.825 -3.672 1.00 0.00 O ATOM 0 H GLY A 48 2.356 -0.050 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.747 -1.235 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.080 -0.659 -3.217 1.00 0.00 H new ATOM 702 N GLN A 49 0.457 1.033 -5.639 1.00 0.00 N ATOM 703 CA GLN A 49 0.442 2.340 -6.285 1.00 0.00 C ATOM 704 C GLN A 49 -0.984 2.764 -6.623 1.00 0.00 C ATOM 705 O GLN A 49 -1.762 1.980 -7.166 1.00 0.00 O ATOM 706 CB GLN A 49 1.294 2.315 -7.555 1.00 0.00 C ATOM 707 CG GLN A 49 0.932 3.403 -8.552 1.00 0.00 C ATOM 708 CD GLN A 49 -0.133 2.961 -9.537 1.00 0.00 C ATOM 709 OE1 GLN A 49 -0.048 1.878 -10.116 1.00 0.00 O ATOM 710 NE2 GLN A 49 -1.144 3.800 -9.732 1.00 0.00 N ATOM 0 H GLN A 49 0.151 0.264 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 49 0.862 3.066 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.344 2.420 -7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.186 1.343 -8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.580 4.282 -8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.826 3.701 -9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.174 4.688 -9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.890 3.557 -10.383 1.00 0.00 H new ATOM 719 N ILE A 50 -1.318 4.009 -6.299 1.00 0.00 N ATOM 720 CA ILE A 50 -2.650 4.536 -6.569 1.00 0.00 C ATOM 721 C ILE A 50 -2.588 5.715 -7.535 1.00 0.00 C ATOM 722 O ILE A 50 -1.569 6.399 -7.632 1.00 0.00 O ATOM 723 CB ILE A 50 -3.352 4.984 -5.274 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.717 3.768 -4.420 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.592 5.802 -5.599 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.407 4.127 -3.122 1.00 0.00 C ATOM 0 H ILE A 50 -0.685 4.671 -5.850 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.224 3.727 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.667 5.612 -4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.366 3.110 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.810 3.205 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.077 6.111 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.306 6.685 -6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.283 5.197 -6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.636 3.217 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.751 4.760 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.331 4.663 -3.337 1.00 0.00 H new ATOM 738 N ASP A 51 -3.686 5.949 -8.245 1.00 0.00 N ATOM 739 CA ASP A 51 -3.759 7.047 -9.201 1.00 0.00 C ATOM 740 C ASP A 51 -2.884 8.215 -8.755 1.00 0.00 C ATOM 741 O ASP A 51 -1.948 8.604 -9.453 1.00 0.00 O ATOM 742 CB ASP A 51 -5.206 7.513 -9.367 1.00 0.00 C ATOM 743 CG ASP A 51 -6.115 6.409 -9.870 1.00 0.00 C ATOM 744 OD1 ASP A 51 -6.322 5.426 -9.129 1.00 0.00 O ATOM 745 OD2 ASP A 51 -6.620 6.528 -11.007 1.00 0.00 O ATOM 0 H ASP A 51 -4.538 5.393 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.390 6.685 -10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.579 7.879 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.237 8.351 -10.063 1.00 0.00 H new ATOM 750 N ASP A 52 -3.196 8.769 -7.589 1.00 0.00 N ATOM 751 CA ASP A 52 -2.438 9.893 -7.050 1.00 0.00 C ATOM 752 C ASP A 52 -1.580 9.452 -5.868 1.00 0.00 C ATOM 753 O ASP A 52 -0.413 9.825 -5.764 1.00 0.00 O ATOM 754 CB ASP A 52 -3.385 11.014 -6.618 1.00 0.00 C ATOM 755 CG ASP A 52 -4.310 11.452 -7.736 1.00 0.00 C ATOM 756 OD1 ASP A 52 -5.385 10.835 -7.894 1.00 0.00 O ATOM 757 OD2 ASP A 52 -3.960 12.413 -8.453 1.00 0.00 O ATOM 0 H ASP A 52 -3.968 8.459 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.780 10.266 -7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.980 10.677 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.800 11.869 -6.278 1.00 0.00 H new ATOM 762 N GLU A 53 -2.168 8.656 -4.980 1.00 0.00 N ATOM 763 CA GLU A 53 -1.457 8.166 -3.805 1.00 0.00 C ATOM 764 C GLU A 53 -0.475 7.062 -4.185 1.00 0.00 C ATOM 765 O GLU A 53 -0.665 6.364 -5.180 1.00 0.00 O ATOM 766 CB GLU A 53 -2.448 7.645 -2.762 1.00 0.00 C ATOM 767 CG GLU A 53 -3.402 8.709 -2.244 1.00 0.00 C ATOM 768 CD GLU A 53 -4.677 8.121 -1.672 1.00 0.00 C ATOM 769 OE1 GLU A 53 -5.344 7.344 -2.387 1.00 0.00 O ATOM 770 OE2 GLU A 53 -5.008 8.437 -0.510 1.00 0.00 O ATOM 0 H GLU A 53 -3.134 8.337 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.896 8.997 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.027 6.831 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.893 7.227 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.901 9.298 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.653 9.392 -3.055 1.00 0.00 H new ATOM 777 N GLU A 54 0.576 6.913 -3.384 1.00 0.00 N ATOM 778 CA GLU A 54 1.590 5.895 -3.637 1.00 0.00 C ATOM 779 C GLU A 54 2.321 5.524 -2.350 1.00 0.00 C ATOM 780 O GLU A 54 2.890 6.383 -1.677 1.00 0.00 O ATOM 781 CB GLU A 54 2.592 6.391 -4.682 1.00 0.00 C ATOM 782 CG GLU A 54 1.957 6.741 -6.017 1.00 0.00 C ATOM 783 CD GLU A 54 2.937 7.383 -6.979 1.00 0.00 C ATOM 784 OE1 GLU A 54 3.710 6.642 -7.621 1.00 0.00 O ATOM 785 OE2 GLU A 54 2.931 8.627 -7.090 1.00 0.00 O ATOM 0 H GLU A 54 0.747 7.483 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 54 1.089 5.005 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.105 7.270 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.349 5.623 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.549 5.837 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.120 7.419 -5.850 1.00 0.00 H new ATOM 792 N GLY A 55 2.301 4.238 -2.015 1.00 0.00 N ATOM 793 CA GLY A 55 2.965 3.775 -0.810 1.00 0.00 C ATOM 794 C GLY A 55 2.914 2.267 -0.663 1.00 0.00 C ATOM 795 O GLY A 55 2.729 1.547 -1.645 1.00 0.00 O ATOM 0 H GLY A 55 1.837 3.508 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.005 4.101 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.498 4.238 0.059 1.00 0.00 H new ATOM 799 N TRP A 56 3.081 1.788 0.564 1.00 0.00 N ATOM 800 CA TRP A 56 3.056 0.355 0.835 1.00 0.00 C ATOM 801 C TRP A 56 1.838 -0.019 1.672 1.00 0.00 C ATOM 802 O TRP A 56 1.503 0.665 2.639 1.00 0.00 O ATOM 803 CB TRP A 56 4.336 -0.071 1.556 1.00 0.00 C ATOM 804 CG TRP A 56 4.460 0.502 2.935 1.00 0.00 C ATOM 805 CD1 TRP A 56 3.955 -0.024 4.090 1.00 0.00 C ATOM 806 CD2 TRP A 56 5.130 1.712 3.303 1.00 0.00 C ATOM 807 NE1 TRP A 56 4.271 0.786 5.154 1.00 0.00 N ATOM 808 CE2 TRP A 56 4.992 1.857 4.698 1.00 0.00 C ATOM 809 CE3 TRP A 56 5.835 2.686 2.591 1.00 0.00 C ATOM 810 CZ2 TRP A 56 5.533 2.938 5.390 1.00 0.00 C ATOM 811 CZ3 TRP A 56 6.370 3.758 3.280 1.00 0.00 C ATOM 812 CH2 TRP A 56 6.218 3.877 4.668 1.00 0.00 C ATOM 0 H TRP A 56 3.235 2.370 1.387 1.00 0.00 H new ATOM 0 HA TRP A 56 2.993 -0.169 -0.119 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.364 -1.159 1.619 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.198 0.237 0.964 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.390 -0.942 4.157 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.011 0.617 6.126 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.960 2.603 1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.416 3.032 6.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.915 4.518 2.739 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.650 4.726 5.177 1.00 0.00 H new ATOM 823 N PHE A 57 1.177 -1.109 1.294 1.00 0.00 N ATOM 824 CA PHE A 57 -0.005 -1.573 2.010 1.00 0.00 C ATOM 825 C PHE A 57 0.152 -3.031 2.431 1.00 0.00 C ATOM 826 O PHE A 57 0.863 -3.813 1.800 1.00 0.00 O ATOM 827 CB PHE A 57 -1.251 -1.413 1.137 1.00 0.00 C ATOM 828 CG PHE A 57 -1.283 -2.348 -0.038 1.00 0.00 C ATOM 829 CD1 PHE A 57 -1.418 -3.714 0.150 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.178 -1.861 -1.331 1.00 0.00 C ATOM 831 CE1 PHE A 57 -1.448 -4.577 -0.930 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.208 -2.719 -2.414 1.00 0.00 C ATOM 833 CZ PHE A 57 -1.342 -4.078 -2.213 1.00 0.00 C ATOM 0 H PHE A 57 1.440 -1.687 0.496 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.118 -0.965 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.138 -1.580 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.302 -0.386 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.501 -4.109 1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.071 -0.799 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.554 -5.640 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.127 -2.326 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.364 -4.750 -3.058 1.00 0.00 H new ATOM 843 N PRO A 58 -0.528 -3.407 3.525 1.00 0.00 N ATOM 844 CA PRO A 58 -0.481 -4.772 4.056 1.00 0.00 C ATOM 845 C PRO A 58 -1.193 -5.771 3.150 1.00 0.00 C ATOM 846 O PRO A 58 -2.293 -5.509 2.666 1.00 0.00 O ATOM 847 CB PRO A 58 -1.206 -4.656 5.399 1.00 0.00 C ATOM 848 CG PRO A 58 -2.112 -3.484 5.240 1.00 0.00 C ATOM 849 CD PRO A 58 -1.395 -2.528 4.327 1.00 0.00 C ATOM 0 HA PRO A 58 0.541 -5.142 4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.767 -5.562 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.502 -4.504 6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.069 -3.786 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.323 -3.020 6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.092 -1.971 3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.815 -1.795 4.888 1.00 0.00 H new ATOM 857 N ALA A 59 -0.558 -6.917 2.926 1.00 0.00 N ATOM 858 CA ALA A 59 -1.133 -7.956 2.081 1.00 0.00 C ATOM 859 C ALA A 59 -2.129 -8.809 2.859 1.00 0.00 C ATOM 860 O ALA A 59 -3.031 -9.412 2.278 1.00 0.00 O ATOM 861 CB ALA A 59 -0.032 -8.829 1.496 1.00 0.00 C ATOM 0 H ALA A 59 0.355 -7.149 3.318 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.670 -7.471 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.475 -9.601 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.640 -8.214 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.529 -9.298 2.305 1.00 0.00 H new ATOM 867 N SER A 60 -1.959 -8.855 4.177 1.00 0.00 N ATOM 868 CA SER A 60 -2.841 -9.638 5.034 1.00 0.00 C ATOM 869 C SER A 60 -4.139 -8.886 5.309 1.00 0.00 C ATOM 870 O SER A 60 -4.937 -9.290 6.155 1.00 0.00 O ATOM 871 CB SER A 60 -2.141 -9.969 6.354 1.00 0.00 C ATOM 872 OG SER A 60 -2.855 -10.958 7.075 1.00 0.00 O ATOM 0 H SER A 60 -1.219 -8.359 4.674 1.00 0.00 H new ATOM 0 HA SER A 60 -3.082 -10.566 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.128 -10.320 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.052 -9.066 6.959 1.00 0.00 H new ATOM 0 HG SER A 60 -3.815 -10.764 7.034 1.00 0.00 H new ATOM 878 N PHE A 61 -4.345 -7.789 4.587 1.00 0.00 N ATOM 879 CA PHE A 61 -5.545 -6.978 4.753 1.00 0.00 C ATOM 880 C PHE A 61 -6.198 -6.690 3.404 1.00 0.00 C ATOM 881 O PHE A 61 -7.188 -5.964 3.323 1.00 0.00 O ATOM 882 CB PHE A 61 -5.206 -5.664 5.459 1.00 0.00 C ATOM 883 CG PHE A 61 -5.310 -5.742 6.955 1.00 0.00 C ATOM 884 CD1 PHE A 61 -4.608 -6.705 7.662 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.111 -4.854 7.654 1.00 0.00 C ATOM 886 CE1 PHE A 61 -4.703 -6.780 9.039 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.209 -4.924 9.031 1.00 0.00 C ATOM 888 CZ PHE A 61 -5.503 -5.887 9.724 1.00 0.00 C ATOM 0 H PHE A 61 -3.696 -7.442 3.881 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.250 -7.540 5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.193 -5.367 5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.875 -4.883 5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.980 -7.405 7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.665 -4.098 7.117 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.152 -7.536 9.578 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.837 -4.226 9.564 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.576 -5.942 10.800 1.00 0.00 H new ATOM 898 N VAL A 62 -5.634 -7.265 2.346 1.00 0.00 N ATOM 899 CA VAL A 62 -6.159 -7.072 1.000 1.00 0.00 C ATOM 900 C VAL A 62 -6.444 -8.408 0.324 1.00 0.00 C ATOM 901 O VAL A 62 -5.685 -9.366 0.476 1.00 0.00 O ATOM 902 CB VAL A 62 -5.181 -6.265 0.126 1.00 0.00 C ATOM 903 CG1 VAL A 62 -4.898 -4.909 0.754 1.00 0.00 C ATOM 904 CG2 VAL A 62 -3.891 -7.042 -0.087 1.00 0.00 C ATOM 0 H VAL A 62 -4.813 -7.868 2.396 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.090 -6.514 1.101 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.643 -6.099 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.205 -4.353 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.829 -4.351 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.456 -5.050 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.212 -6.457 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.423 -7.241 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.113 -7.986 -0.584 1.00 0.00 H new ATOM 914 N ARG A 63 -7.541 -8.465 -0.424 1.00 0.00 N ATOM 915 CA ARG A 63 -7.926 -9.685 -1.124 1.00 0.00 C ATOM 916 C ARG A 63 -7.504 -9.628 -2.589 1.00 0.00 C ATOM 917 O ARG A 63 -7.799 -8.662 -3.294 1.00 0.00 O ATOM 918 CB ARG A 63 -9.438 -9.899 -1.026 1.00 0.00 C ATOM 919 CG ARG A 63 -9.860 -10.713 0.186 1.00 0.00 C ATOM 920 CD ARG A 63 -11.199 -11.397 -0.042 1.00 0.00 C ATOM 921 NE ARG A 63 -11.645 -12.135 1.137 1.00 0.00 N ATOM 922 CZ ARG A 63 -12.711 -12.927 1.149 1.00 0.00 C ATOM 923 NH1 ARG A 63 -13.438 -13.082 0.051 1.00 0.00 N ATOM 924 NH2 ARG A 63 -13.053 -13.565 2.261 1.00 0.00 N ATOM 0 H ARG A 63 -8.179 -7.681 -0.561 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.415 -10.523 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.932 -8.928 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.785 -10.401 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.100 -11.463 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.926 -10.062 1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.947 -10.650 -0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.118 -12.080 -0.888 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.108 -12.037 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.179 -12.592 -0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.256 -13.691 0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.497 -13.447 3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.872 -14.173 2.269 1.00 0.00 H new ATOM 938 N LEU A 64 -6.812 -10.668 -3.040 1.00 0.00 N ATOM 939 CA LEU A 64 -6.348 -10.737 -4.422 1.00 0.00 C ATOM 940 C LEU A 64 -7.502 -11.048 -5.369 1.00 0.00 C ATOM 941 O LEU A 64 -8.465 -11.714 -4.990 1.00 0.00 O ATOM 942 CB LEU A 64 -5.257 -11.800 -4.562 1.00 0.00 C ATOM 943 CG LEU A 64 -3.891 -11.441 -3.974 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.014 -12.679 -3.869 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.211 -10.374 -4.819 1.00 0.00 C ATOM 0 H LEU A 64 -6.560 -11.475 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.935 -9.764 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.606 -12.716 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.127 -12.022 -5.621 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.042 -11.041 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.046 -12.405 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.496 -13.412 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.870 -13.108 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.241 -10.131 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.072 -10.747 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.832 -9.479 -4.843 1.00 0.00 H new ATOM 957 N TRP A 65 -7.396 -10.565 -6.601 1.00 0.00 N ATOM 958 CA TRP A 65 -8.430 -10.794 -7.604 1.00 0.00 C ATOM 959 C TRP A 65 -8.402 -12.237 -8.094 1.00 0.00 C ATOM 960 O TRP A 65 -9.446 -12.874 -8.237 1.00 0.00 O ATOM 961 CB TRP A 65 -8.247 -9.837 -8.783 1.00 0.00 C ATOM 962 CG TRP A 65 -8.746 -8.451 -8.507 1.00 0.00 C ATOM 963 CD1 TRP A 65 -8.714 -7.791 -7.312 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.354 -7.557 -9.445 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.265 -6.540 -7.450 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.665 -6.372 -8.749 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.665 -7.640 -10.805 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -10.271 -5.282 -9.369 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -10.267 -6.559 -11.418 1.00 0.00 C ATOM 970 CH2 TRP A 65 -10.564 -5.392 -10.701 1.00 0.00 C ATOM 0 H TRP A 65 -6.605 -10.012 -6.930 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.399 -10.606 -7.141 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.189 -9.790 -9.042 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.770 -10.238 -9.651 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.314 -8.193 -6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.361 -5.849 -6.706 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -9.438 -8.534 -11.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.501 -4.382 -8.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -10.513 -6.614 -12.468 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.033 -4.563 -11.210 1.00 0.00 H new