USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 963 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.109 F(o=-0.81,f=-0.11) USER MOD Single : A 24 THR OG1 : rot 76:sc= 1.3 USER MOD Single : A 25 TYR OH : rot 165:sc= 0 USER MOD Single : A 31 MET CE :methyl -148:sc= -0.385 (180deg=-1.35!) USER MOD Single : A 32 MET CE :methyl 168:sc= 0 (180deg=-0.0702) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -172:sc= -5.88! (180deg=-6.35!) USER MOD Single : A 46 CYS SG : rot 99:sc= 0.411 USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00229 USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -1.71! C(o=-1.7!,f=-5.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 72:sc= 0.587 USER MOD Single : A 65 TYR OH : rot 95:sc= 0.0367 USER MOD Single : A 66 MET CE :methyl 175:sc= -4.16! (180deg=-4.39!) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.0751 F(o=-1,f=-0.075) USER MOD Single : A 81 ASN : amide:sc= -8.5! C(o=-8.5!,f=-9.9!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -3.53! C(o=-3.5!,f=-3.4!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-2.5) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 2.556 4.768 18.321 1.00 0.00 N ATOM 96 CA PRO A 7 3.093 6.115 18.105 1.00 0.00 C ATOM 97 C PRO A 7 3.445 6.375 16.651 1.00 0.00 C ATOM 98 O PRO A 7 3.586 7.520 16.220 1.00 0.00 O ATOM 99 CB PRO A 7 4.353 6.136 18.965 1.00 0.00 C ATOM 100 CG PRO A 7 4.787 4.712 19.041 1.00 0.00 C ATOM 101 CD PRO A 7 3.534 3.881 18.984 1.00 0.00 C ATOM 0 HA PRO A 7 2.367 6.886 18.364 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.126 6.762 18.519 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.148 6.540 19.956 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.454 4.465 18.215 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.337 4.522 19.963 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.688 2.962 18.419 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.200 3.591 19.980 1.00 0.00 H new ATOM 109 N VAL A 8 3.585 5.296 15.912 1.00 0.00 N ATOM 110 CA VAL A 8 3.927 5.366 14.496 1.00 0.00 C ATOM 111 C VAL A 8 2.797 5.989 13.684 1.00 0.00 C ATOM 112 O VAL A 8 1.638 5.589 13.803 1.00 0.00 O ATOM 113 CB VAL A 8 4.240 3.971 13.923 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.590 4.065 12.444 1.00 0.00 C ATOM 115 CG2 VAL A 8 5.364 3.311 14.704 1.00 0.00 C ATOM 0 H VAL A 8 3.467 4.347 16.267 1.00 0.00 H new ATOM 0 HA VAL A 8 4.815 5.993 14.420 1.00 0.00 H new ATOM 0 HB VAL A 8 3.349 3.351 14.022 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.808 3.069 12.058 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.748 4.490 11.897 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.465 4.703 12.317 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.570 2.327 14.284 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.261 3.927 14.642 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.068 3.205 15.748 1.00 0.00 H new ATOM 125 N THR A 9 3.145 6.969 12.857 1.00 0.00 N ATOM 126 CA THR A 9 2.167 7.652 12.019 1.00 0.00 C ATOM 127 C THR A 9 2.778 8.046 10.680 1.00 0.00 C ATOM 128 O THR A 9 3.932 8.473 10.616 1.00 0.00 O ATOM 129 CB THR A 9 1.614 8.916 12.703 1.00 0.00 C ATOM 130 OG1 THR A 9 2.678 9.843 12.953 1.00 0.00 O ATOM 131 CG2 THR A 9 0.920 8.571 14.011 1.00 0.00 C ATOM 0 H THR A 9 4.101 7.309 12.749 1.00 0.00 H new ATOM 0 HA THR A 9 1.348 6.950 11.858 1.00 0.00 H new ATOM 0 HB THR A 9 0.883 9.370 12.034 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.318 10.645 13.387 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.539 9.482 14.472 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.092 7.890 13.815 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.631 8.093 14.685 1.00 0.00 H new ATOM 139 N ALA A 10 2.001 7.900 9.613 1.00 0.00 N ATOM 140 CA ALA A 10 2.469 8.246 8.279 1.00 0.00 C ATOM 141 C ALA A 10 2.358 9.746 8.033 1.00 0.00 C ATOM 142 O ALA A 10 1.873 10.490 8.885 1.00 0.00 O ATOM 143 CB ALA A 10 1.684 7.478 7.226 1.00 0.00 C ATOM 0 H ALA A 10 1.045 7.545 9.647 1.00 0.00 H new ATOM 0 HA ALA A 10 3.520 7.967 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.046 7.748 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.817 6.407 7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.626 7.728 7.307 1.00 0.00 H new ATOM 149 N SER A 11 2.814 10.183 6.864 1.00 0.00 N ATOM 150 CA SER A 11 2.764 11.596 6.506 1.00 0.00 C ATOM 151 C SER A 11 2.918 11.775 5.001 1.00 0.00 C ATOM 152 O SER A 11 3.401 10.882 4.307 1.00 0.00 O ATOM 153 CB SER A 11 3.863 12.369 7.237 1.00 0.00 C ATOM 154 OG SER A 11 3.784 13.756 6.958 1.00 0.00 O ATOM 0 H SER A 11 3.222 9.580 6.149 1.00 0.00 H new ATOM 0 HA SER A 11 1.793 11.989 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.774 12.205 8.311 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.840 11.990 6.937 1.00 0.00 H new ATOM 0 HG SER A 11 4.496 14.227 7.439 1.00 0.00 H new ATOM 160 N LEU A 12 2.504 12.933 4.502 1.00 0.00 N ATOM 161 CA LEU A 12 2.599 13.221 3.078 1.00 0.00 C ATOM 162 C LEU A 12 3.927 13.893 2.747 1.00 0.00 C ATOM 163 O LEU A 12 4.227 14.979 3.243 1.00 0.00 O ATOM 164 CB LEU A 12 1.438 14.112 2.640 1.00 0.00 C ATOM 165 CG LEU A 12 1.289 14.283 1.129 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.110 12.930 0.456 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.117 15.198 0.812 1.00 0.00 C ATOM 0 H LEU A 12 2.101 13.685 5.061 1.00 0.00 H new ATOM 0 HA LEU A 12 2.547 12.277 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.511 13.697 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.565 15.096 3.091 1.00 0.00 H new ATOM 0 HG LEU A 12 2.198 14.742 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.005 13.070 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.980 12.305 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.216 12.444 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.024 15.310 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.800 14.766 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.286 16.175 1.265 1.00 0.00 H new ATOM 179 N VAL A 13 4.719 13.237 1.907 1.00 0.00 N ATOM 180 CA VAL A 13 6.017 13.768 1.507 1.00 0.00 C ATOM 181 C VAL A 13 5.852 14.923 0.524 1.00 0.00 C ATOM 182 O VAL A 13 4.858 14.995 -0.199 1.00 0.00 O ATOM 183 CB VAL A 13 6.896 12.673 0.870 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.277 13.214 0.535 1.00 0.00 C ATOM 185 CG2 VAL A 13 6.998 11.468 1.794 1.00 0.00 C ATOM 0 H VAL A 13 4.485 12.336 1.489 1.00 0.00 H new ATOM 0 HA VAL A 13 6.510 14.133 2.408 1.00 0.00 H new ATOM 0 HB VAL A 13 6.425 12.354 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.879 12.423 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.183 14.041 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.761 13.566 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.622 10.705 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.443 11.773 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.002 11.062 1.974 1.00 0.00 H new ATOM 195 N ALA A 14 6.830 15.826 0.506 1.00 0.00 N ATOM 196 CA ALA A 14 6.793 16.977 -0.389 1.00 0.00 C ATOM 197 C ALA A 14 6.540 16.545 -1.828 1.00 0.00 C ATOM 198 O ALA A 14 6.885 15.432 -2.220 1.00 0.00 O ATOM 199 CB ALA A 14 8.092 17.763 -0.292 1.00 0.00 C ATOM 0 H ALA A 14 7.657 15.782 1.101 1.00 0.00 H new ATOM 0 HA ALA A 14 5.969 17.620 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.050 18.619 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.230 18.112 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.927 17.121 -0.572 1.00 0.00 H new ATOM 205 N GLU A 15 5.932 17.431 -2.605 1.00 0.00 N ATOM 206 CA GLU A 15 5.625 17.143 -4.000 1.00 0.00 C ATOM 207 C GLU A 15 6.898 16.976 -4.827 1.00 0.00 C ATOM 208 O GLU A 15 6.927 16.204 -5.786 1.00 0.00 O ATOM 209 CB GLU A 15 4.761 18.257 -4.596 1.00 0.00 C ATOM 210 CG GLU A 15 5.328 19.653 -4.383 1.00 0.00 C ATOM 211 CD GLU A 15 4.968 20.231 -3.029 1.00 0.00 C ATOM 212 OE1 GLU A 15 3.796 20.622 -2.844 1.00 0.00 O ATOM 213 OE2 GLU A 15 5.857 20.297 -2.154 1.00 0.00 O ATOM 0 H GLU A 15 5.641 18.357 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 15 5.073 16.204 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.645 18.081 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.766 18.208 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.413 19.619 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.957 20.315 -5.166 1.00 0.00 H new ATOM 220 N ALA A 16 7.949 17.699 -4.451 1.00 0.00 N ATOM 221 CA ALA A 16 9.218 17.632 -5.168 1.00 0.00 C ATOM 222 C ALA A 16 10.191 16.665 -4.497 1.00 0.00 C ATOM 223 O ALA A 16 11.295 16.439 -4.993 1.00 0.00 O ATOM 224 CB ALA A 16 9.837 19.017 -5.271 1.00 0.00 C ATOM 0 H ALA A 16 7.947 18.337 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 16 9.015 17.256 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.783 18.954 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.159 19.680 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.013 19.412 -4.271 1.00 0.00 H new ATOM 230 N GLN A 17 9.777 16.095 -3.370 1.00 0.00 N ATOM 231 CA GLN A 17 10.617 15.154 -2.637 1.00 0.00 C ATOM 232 C GLN A 17 10.037 13.746 -2.698 1.00 0.00 C ATOM 233 O GLN A 17 10.727 12.764 -2.423 1.00 0.00 O ATOM 234 CB GLN A 17 10.766 15.594 -1.180 1.00 0.00 C ATOM 235 CG GLN A 17 11.462 16.935 -1.020 1.00 0.00 C ATOM 236 CD GLN A 17 12.875 16.925 -1.566 1.00 0.00 C ATOM 237 OE1 GLN A 17 13.013 17.213 -2.855 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 13.832 16.653 -0.840 1.00 0.00 N flip ATOM 0 H GLN A 17 8.866 16.268 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 17 11.601 15.144 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.778 15.649 -0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.327 14.835 -0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.884 17.704 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.486 17.204 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.680 16.438 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.777 16.643 -1.224 1.00 0.00 H new ATOM 247 N ARG A 18 8.763 13.658 -3.063 1.00 0.00 N ATOM 248 CA ARG A 18 8.083 12.374 -3.164 1.00 0.00 C ATOM 249 C ARG A 18 8.581 11.595 -4.376 1.00 0.00 C ATOM 250 O ARG A 18 8.558 10.364 -4.390 1.00 0.00 O ATOM 251 CB ARG A 18 6.571 12.584 -3.259 1.00 0.00 C ATOM 252 CG ARG A 18 6.143 13.395 -4.472 1.00 0.00 C ATOM 253 CD ARG A 18 4.638 13.608 -4.501 1.00 0.00 C ATOM 254 NE ARG A 18 3.912 12.367 -4.751 1.00 0.00 N ATOM 255 CZ ARG A 18 2.641 12.323 -5.141 1.00 0.00 C ATOM 256 NH1 ARG A 18 1.958 13.447 -5.311 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.053 11.155 -5.358 1.00 0.00 N ATOM 0 H ARG A 18 8.180 14.463 -3.294 1.00 0.00 H new ATOM 0 HA ARG A 18 8.305 11.796 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.079 11.612 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.225 13.087 -2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.647 14.361 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.456 12.883 -5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.314 14.032 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.390 14.335 -5.275 1.00 0.00 H new ATOM 0 HE ARG A 18 4.406 11.485 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.407 14.347 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.983 13.411 -5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.575 10.289 -5.226 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.078 11.122 -5.657 1.00 0.00 H new ATOM 271 N LEU A 19 9.041 12.323 -5.388 1.00 0.00 N ATOM 272 CA LEU A 19 9.547 11.708 -6.609 1.00 0.00 C ATOM 273 C LEU A 19 10.889 11.025 -6.360 1.00 0.00 C ATOM 274 O LEU A 19 11.249 10.070 -7.048 1.00 0.00 O ATOM 275 CB LEU A 19 9.687 12.764 -7.709 1.00 0.00 C ATOM 276 CG LEU A 19 10.528 13.987 -7.328 1.00 0.00 C ATOM 277 CD1 LEU A 19 11.998 13.744 -7.640 1.00 0.00 C ATOM 278 CD2 LEU A 19 10.027 15.223 -8.057 1.00 0.00 C ATOM 0 H LEU A 19 9.074 13.342 -5.386 1.00 0.00 H new ATOM 0 HA LEU A 19 8.834 10.949 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.131 12.296 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.691 13.102 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 19 10.428 14.153 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.579 14.624 -7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.352 12.882 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.117 13.552 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.635 16.083 -7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.099 15.065 -9.133 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.988 15.409 -7.786 1.00 0.00 H new ATOM 290 N ASP A 20 11.622 11.525 -5.370 1.00 0.00 N ATOM 291 CA ASP A 20 12.926 10.971 -5.026 1.00 0.00 C ATOM 292 C ASP A 20 12.827 10.089 -3.790 1.00 0.00 C ATOM 293 O ASP A 20 13.779 9.394 -3.435 1.00 0.00 O ATOM 294 CB ASP A 20 13.935 12.094 -4.782 1.00 0.00 C ATOM 295 CG ASP A 20 15.353 11.578 -4.648 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.037 11.444 -5.684 1.00 0.00 O ATOM 297 OD2 ASP A 20 15.781 11.308 -3.506 1.00 0.00 O ATOM 0 H ASP A 20 11.334 12.314 -4.791 1.00 0.00 H new ATOM 0 HA ASP A 20 13.267 10.362 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.887 12.807 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.661 12.634 -3.876 1.00 0.00 H new ATOM 302 N PHE A 21 11.672 10.123 -3.135 1.00 0.00 N ATOM 303 CA PHE A 21 11.456 9.319 -1.941 1.00 0.00 C ATOM 304 C PHE A 21 11.554 7.840 -2.280 1.00 0.00 C ATOM 305 O PHE A 21 12.087 7.048 -1.504 1.00 0.00 O ATOM 306 CB PHE A 21 10.090 9.614 -1.331 1.00 0.00 C ATOM 307 CG PHE A 21 9.984 9.205 0.109 1.00 0.00 C ATOM 308 CD1 PHE A 21 9.559 7.932 0.452 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.315 10.094 1.119 1.00 0.00 C ATOM 310 CE1 PHE A 21 9.466 7.552 1.776 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.223 9.719 2.446 1.00 0.00 C ATOM 312 CZ PHE A 21 9.799 8.447 2.775 1.00 0.00 C ATOM 0 H PHE A 21 10.875 10.697 -3.410 1.00 0.00 H new ATOM 0 HA PHE A 21 12.227 9.575 -1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.885 10.681 -1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.323 9.096 -1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.297 7.229 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.648 11.090 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.133 6.557 2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.483 10.420 3.225 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.728 8.152 3.811 1.00 0.00 H new ATOM 322 N LEU A 22 11.028 7.472 -3.444 1.00 0.00 N ATOM 323 CA LEU A 22 11.071 6.088 -3.888 1.00 0.00 C ATOM 324 C LEU A 22 12.516 5.608 -3.975 1.00 0.00 C ATOM 325 O LEU A 22 12.884 4.640 -3.313 1.00 0.00 O ATOM 326 CB LEU A 22 10.357 5.925 -5.234 1.00 0.00 C ATOM 327 CG LEU A 22 8.885 5.525 -5.135 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.754 4.137 -4.525 1.00 0.00 C ATOM 329 CD2 LEU A 22 8.111 6.546 -4.316 1.00 0.00 C ATOM 0 H LEU A 22 10.569 8.112 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 22 10.547 5.472 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.428 6.864 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.885 5.173 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 22 8.463 5.501 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.700 3.866 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.277 3.414 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.190 4.136 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.065 6.246 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.531 6.601 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.181 7.524 -4.793 1.00 0.00 H new ATOM 341 N PRO A 23 13.367 6.275 -4.783 1.00 0.00 N ATOM 342 CA PRO A 23 14.774 5.895 -4.904 1.00 0.00 C ATOM 343 C PRO A 23 15.524 6.135 -3.601 1.00 0.00 C ATOM 344 O PRO A 23 16.668 5.709 -3.438 1.00 0.00 O ATOM 345 CB PRO A 23 15.310 6.804 -6.014 1.00 0.00 C ATOM 346 CG PRO A 23 14.376 7.966 -6.048 1.00 0.00 C ATOM 347 CD PRO A 23 13.032 7.432 -5.638 1.00 0.00 C ATOM 0 HA PRO A 23 14.899 4.836 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.330 7.124 -5.803 1.00 0.00 H new ATOM 0 HB3 PRO A 23 15.330 6.286 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.707 8.752 -5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.334 8.403 -7.046 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.452 8.178 -5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.438 7.134 -6.502 1.00 0.00 H new ATOM 355 N THR A 24 14.864 6.828 -2.676 1.00 0.00 N ATOM 356 CA THR A 24 15.448 7.125 -1.377 1.00 0.00 C ATOM 357 C THR A 24 15.415 5.886 -0.494 1.00 0.00 C ATOM 358 O THR A 24 16.358 5.608 0.248 1.00 0.00 O ATOM 359 CB THR A 24 14.707 8.280 -0.673 1.00 0.00 C ATOM 360 OG1 THR A 24 15.120 9.537 -1.222 1.00 0.00 O ATOM 361 CG2 THR A 24 14.967 8.266 0.826 1.00 0.00 C ATOM 0 H THR A 24 13.921 7.194 -2.806 1.00 0.00 H new ATOM 0 HA THR A 24 16.481 7.433 -1.541 1.00 0.00 H new ATOM 0 HB THR A 24 13.638 8.144 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.699 9.666 -2.097 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.432 9.091 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.620 7.322 1.247 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.036 8.374 1.011 1.00 0.00 H new ATOM 369 N TYR A 25 14.319 5.143 -0.588 1.00 0.00 N ATOM 370 CA TYR A 25 14.157 3.923 0.189 1.00 0.00 C ATOM 371 C TYR A 25 13.914 2.734 -0.735 1.00 0.00 C ATOM 372 O TYR A 25 14.778 1.871 -0.890 1.00 0.00 O ATOM 373 CB TYR A 25 13.002 4.068 1.181 1.00 0.00 C ATOM 374 CG TYR A 25 13.101 3.133 2.365 1.00 0.00 C ATOM 375 CD1 TYR A 25 13.953 3.415 3.425 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.341 1.972 2.425 1.00 0.00 C ATOM 377 CE1 TYR A 25 14.046 2.566 4.511 1.00 0.00 C ATOM 378 CE2 TYR A 25 12.429 1.117 3.508 1.00 0.00 C ATOM 379 CZ TYR A 25 13.283 1.419 4.548 1.00 0.00 C ATOM 380 OH TYR A 25 13.373 0.571 5.629 1.00 0.00 O ATOM 0 H TYR A 25 13.530 5.365 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 25 15.075 3.748 0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.971 5.096 1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.062 3.884 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.553 4.313 3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.671 1.733 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.714 2.800 5.327 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.832 0.217 3.539 1.00 0.00 H new ATOM 0 HH TYR A 25 12.615 -0.050 5.621 1.00 0.00 H new ATOM 390 N PHE A 26 12.726 2.697 -1.337 1.00 0.00 N ATOM 391 CA PHE A 26 12.355 1.624 -2.258 1.00 0.00 C ATOM 392 C PHE A 26 13.515 1.270 -3.177 1.00 0.00 C ATOM 393 O PHE A 26 13.748 0.101 -3.486 1.00 0.00 O ATOM 394 CB PHE A 26 11.143 2.039 -3.093 1.00 0.00 C ATOM 395 CG PHE A 26 9.896 1.262 -2.780 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.134 1.568 -1.664 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.487 0.224 -3.603 1.00 0.00 C ATOM 398 CE1 PHE A 26 7.986 0.854 -1.374 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.341 -0.493 -3.318 1.00 0.00 C ATOM 400 CZ PHE A 26 7.589 -0.178 -2.202 1.00 0.00 C ATOM 0 H PHE A 26 12.001 3.402 -1.202 1.00 0.00 H new ATOM 0 HA PHE A 26 12.101 0.745 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.949 3.100 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.382 1.915 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.440 2.374 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 26 10.071 -0.027 -4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.400 1.103 -0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.033 -1.299 -3.967 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.693 -0.738 -1.978 1.00 0.00 H new ATOM 410 N GLY A 27 14.240 2.292 -3.605 1.00 0.00 N ATOM 411 CA GLY A 27 15.374 2.087 -4.484 1.00 0.00 C ATOM 412 C GLY A 27 15.156 2.700 -5.852 1.00 0.00 C ATOM 413 O GLY A 27 14.029 2.722 -6.348 1.00 0.00 O ATOM 0 H GLY A 27 14.062 3.266 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.266 2.521 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.559 1.018 -4.592 1.00 0.00 H new ATOM 417 N PRO A 28 16.220 3.214 -6.491 1.00 0.00 N ATOM 418 CA PRO A 28 16.118 3.829 -7.816 1.00 0.00 C ATOM 419 C PRO A 28 15.588 2.854 -8.857 1.00 0.00 C ATOM 420 O PRO A 28 15.227 3.248 -9.966 1.00 0.00 O ATOM 421 CB PRO A 28 17.558 4.239 -8.146 1.00 0.00 C ATOM 422 CG PRO A 28 18.414 3.438 -7.225 1.00 0.00 C ATOM 423 CD PRO A 28 17.600 3.230 -5.981 1.00 0.00 C ATOM 0 HA PRO A 28 15.421 4.667 -7.822 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.798 4.029 -9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.708 5.308 -7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.687 2.484 -7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.343 3.962 -7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.857 2.296 -5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.755 4.031 -5.258 1.00 0.00 H new ATOM 431 N ARG A 29 15.556 1.575 -8.498 1.00 0.00 N ATOM 432 CA ARG A 29 15.062 0.547 -9.400 1.00 0.00 C ATOM 433 C ARG A 29 13.624 0.155 -9.071 1.00 0.00 C ATOM 434 O ARG A 29 12.797 0.008 -9.971 1.00 0.00 O ATOM 435 CB ARG A 29 15.960 -0.692 -9.348 1.00 0.00 C ATOM 436 CG ARG A 29 15.386 -1.891 -10.088 1.00 0.00 C ATOM 437 CD ARG A 29 15.135 -1.575 -11.555 1.00 0.00 C ATOM 438 NE ARG A 29 14.234 -2.542 -12.176 1.00 0.00 N ATOM 439 CZ ARG A 29 14.491 -3.160 -13.326 1.00 0.00 C ATOM 440 NH1 ARG A 29 15.621 -2.913 -13.976 1.00 0.00 N ATOM 441 NH2 ARG A 29 13.619 -4.025 -13.825 1.00 0.00 N ATOM 0 H ARG A 29 15.866 1.228 -7.590 1.00 0.00 H new ATOM 0 HA ARG A 29 15.080 0.963 -10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.932 -0.444 -9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.129 -0.965 -8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.075 -2.732 -10.009 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.453 -2.198 -9.616 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.710 -0.575 -11.643 1.00 0.00 H new ATOM 0 HD3 ARG A 29 16.084 -1.567 -12.092 1.00 0.00 H new ATOM 0 HE ARG A 29 13.357 -2.756 -11.701 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.294 -2.249 -13.594 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.817 -3.388 -14.857 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.750 -4.217 -13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.817 -4.498 -14.707 1.00 0.00 H new ATOM 455 N LEU A 30 13.322 -0.016 -7.785 1.00 0.00 N ATOM 456 CA LEU A 30 11.986 -0.414 -7.354 1.00 0.00 C ATOM 457 C LEU A 30 10.949 0.675 -7.590 1.00 0.00 C ATOM 458 O LEU A 30 9.773 0.377 -7.756 1.00 0.00 O ATOM 459 CB LEU A 30 12.010 -0.778 -5.867 1.00 0.00 C ATOM 460 CG LEU A 30 12.466 -2.204 -5.548 1.00 0.00 C ATOM 461 CD1 LEU A 30 13.935 -2.387 -5.903 1.00 0.00 C ATOM 462 CD2 LEU A 30 12.229 -2.521 -4.080 1.00 0.00 C ATOM 0 H LEU A 30 13.987 0.116 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 30 11.698 -1.278 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.668 -0.080 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.009 -0.635 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 30 11.878 -2.897 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.241 -3.407 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.078 -2.200 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.539 -1.686 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.559 -3.538 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.792 -1.822 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.166 -2.430 -3.855 1.00 0.00 H new ATOM 474 N MET A 31 11.382 1.931 -7.572 1.00 0.00 N ATOM 475 CA MET A 31 10.479 3.067 -7.784 1.00 0.00 C ATOM 476 C MET A 31 9.334 2.740 -8.745 1.00 0.00 C ATOM 477 O MET A 31 8.220 3.234 -8.576 1.00 0.00 O ATOM 478 CB MET A 31 11.267 4.262 -8.314 1.00 0.00 C ATOM 479 CG MET A 31 12.455 3.861 -9.171 1.00 0.00 C ATOM 480 SD MET A 31 12.908 5.128 -10.372 1.00 0.00 S ATOM 481 CE MET A 31 11.412 5.221 -11.352 1.00 0.00 C ATOM 0 H MET A 31 12.355 2.193 -7.413 1.00 0.00 H new ATOM 0 HA MET A 31 10.033 3.306 -6.818 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.602 4.897 -8.900 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.619 4.859 -7.473 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.310 3.655 -8.526 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.222 2.935 -9.697 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.667 5.470 -12.382 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.900 4.259 -11.327 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.757 5.991 -10.944 1.00 0.00 H new ATOM 491 N MET A 32 9.607 1.910 -9.745 1.00 0.00 N ATOM 492 CA MET A 32 8.590 1.532 -10.720 1.00 0.00 C ATOM 493 C MET A 32 8.037 0.144 -10.412 1.00 0.00 C ATOM 494 O MET A 32 6.847 -0.117 -10.594 1.00 0.00 O ATOM 495 CB MET A 32 9.173 1.559 -12.136 1.00 0.00 C ATOM 496 CG MET A 32 10.280 0.543 -12.358 1.00 0.00 C ATOM 497 SD MET A 32 10.910 0.558 -14.047 1.00 0.00 S ATOM 498 CE MET A 32 12.097 -0.781 -13.976 1.00 0.00 C ATOM 0 H MET A 32 10.522 1.487 -9.902 1.00 0.00 H new ATOM 0 HA MET A 32 7.775 2.253 -10.658 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.373 1.374 -12.853 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.561 2.557 -12.341 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.098 0.747 -11.668 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.906 -0.453 -12.123 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.416 -1.039 -14.986 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.962 -0.470 -13.391 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.636 -1.651 -13.508 1.00 0.00 H new ATOM 508 N ARG A 33 8.911 -0.741 -9.942 1.00 0.00 N ATOM 509 CA ARG A 33 8.519 -2.104 -9.607 1.00 0.00 C ATOM 510 C ARG A 33 7.579 -2.131 -8.405 1.00 0.00 C ATOM 511 O ARG A 33 6.840 -3.097 -8.208 1.00 0.00 O ATOM 512 CB ARG A 33 9.757 -2.953 -9.311 1.00 0.00 C ATOM 513 CG ARG A 33 10.657 -3.155 -10.519 1.00 0.00 C ATOM 514 CD ARG A 33 11.902 -3.952 -10.160 1.00 0.00 C ATOM 515 NE ARG A 33 11.577 -5.208 -9.488 1.00 0.00 N ATOM 516 CZ ARG A 33 12.493 -6.064 -9.042 1.00 0.00 C ATOM 517 NH1 ARG A 33 13.783 -5.804 -9.207 1.00 0.00 N ATOM 518 NH2 ARG A 33 12.119 -7.181 -8.433 1.00 0.00 N ATOM 0 H ARG A 33 9.898 -0.537 -9.785 1.00 0.00 H new ATOM 0 HA ARG A 33 7.991 -2.519 -10.466 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.331 -2.479 -8.515 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.439 -3.927 -8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.105 -3.674 -11.303 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.948 -2.186 -10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.470 -4.163 -11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.543 -3.351 -9.514 1.00 0.00 H new ATOM 0 HE ARG A 33 10.593 -5.442 -9.353 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.074 -4.947 -9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.484 -6.461 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.128 -7.385 -8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.823 -7.836 -8.092 1.00 0.00 H new ATOM 532 N GLY A 34 7.606 -1.069 -7.602 1.00 0.00 N ATOM 533 CA GLY A 34 6.757 -1.009 -6.428 1.00 0.00 C ATOM 534 C GLY A 34 5.510 -0.177 -6.645 1.00 0.00 C ATOM 535 O GLY A 34 4.413 -0.591 -6.273 1.00 0.00 O ATOM 0 H GLY A 34 8.200 -0.252 -7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.468 -2.020 -6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.325 -0.593 -5.596 1.00 0.00 H new ATOM 539 N GLU A 35 5.673 0.996 -7.252 1.00 0.00 N ATOM 540 CA GLU A 35 4.542 1.877 -7.510 1.00 0.00 C ATOM 541 C GLU A 35 3.502 1.167 -8.365 1.00 0.00 C ATOM 542 O GLU A 35 2.298 1.358 -8.185 1.00 0.00 O ATOM 543 CB GLU A 35 5.001 3.164 -8.200 1.00 0.00 C ATOM 544 CG GLU A 35 5.453 2.963 -9.639 1.00 0.00 C ATOM 545 CD GLU A 35 5.768 4.271 -10.339 1.00 0.00 C ATOM 546 OE1 GLU A 35 4.816 4.967 -10.751 1.00 0.00 O ATOM 547 OE2 GLU A 35 6.965 4.598 -10.477 1.00 0.00 O ATOM 0 H GLU A 35 6.573 1.355 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 35 4.092 2.141 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.184 3.885 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.821 3.598 -7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.337 2.326 -9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.673 2.438 -10.191 1.00 0.00 H new ATOM 554 N ALA A 36 3.975 0.347 -9.299 1.00 0.00 N ATOM 555 CA ALA A 36 3.084 -0.398 -10.181 1.00 0.00 C ATOM 556 C ALA A 36 2.474 -1.605 -9.470 1.00 0.00 C ATOM 557 O ALA A 36 1.356 -2.018 -9.776 1.00 0.00 O ATOM 558 CB ALA A 36 3.832 -0.841 -11.430 1.00 0.00 C ATOM 0 H ALA A 36 4.968 0.182 -9.464 1.00 0.00 H new ATOM 0 HA ALA A 36 2.268 0.264 -10.470 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.157 -1.396 -12.081 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.207 0.035 -11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.669 -1.479 -11.146 1.00 0.00 H new ATOM 564 N LEU A 37 3.217 -2.171 -8.525 1.00 0.00 N ATOM 565 CA LEU A 37 2.755 -3.336 -7.774 1.00 0.00 C ATOM 566 C LEU A 37 1.609 -2.989 -6.827 1.00 0.00 C ATOM 567 O LEU A 37 0.723 -3.808 -6.594 1.00 0.00 O ATOM 568 CB LEU A 37 3.910 -3.936 -6.974 1.00 0.00 C ATOM 569 CG LEU A 37 4.203 -5.414 -7.249 1.00 0.00 C ATOM 570 CD1 LEU A 37 3.028 -6.280 -6.822 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.528 -5.635 -8.721 1.00 0.00 C ATOM 0 H LEU A 37 4.145 -1.842 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 37 2.385 -4.062 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.812 -3.360 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.694 -3.818 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 37 5.074 -5.705 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.255 -7.327 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.848 -6.148 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.138 -5.987 -7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.733 -6.692 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.680 -5.325 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.404 -5.046 -8.992 1.00 0.00 H new ATOM 583 N VAL A 38 1.625 -1.776 -6.287 1.00 0.00 N ATOM 584 CA VAL A 38 0.587 -1.355 -5.351 1.00 0.00 C ATOM 585 C VAL A 38 -0.709 -1.015 -6.077 1.00 0.00 C ATOM 586 O VAL A 38 -1.799 -1.330 -5.600 1.00 0.00 O ATOM 587 CB VAL A 38 1.034 -0.147 -4.503 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.410 -0.401 -3.911 1.00 0.00 C ATOM 589 CG2 VAL A 38 1.030 1.131 -5.327 1.00 0.00 C ATOM 0 H VAL A 38 2.338 -1.072 -6.478 1.00 0.00 H new ATOM 0 HA VAL A 38 0.410 -2.199 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 38 0.322 -0.019 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.714 0.459 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.376 -1.288 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.129 -0.557 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.349 1.967 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.714 1.023 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.023 1.320 -5.700 1.00 0.00 H new ATOM 599 N TYR A 39 -0.586 -0.370 -7.232 1.00 0.00 N ATOM 600 CA TYR A 39 -1.754 0.004 -8.020 1.00 0.00 C ATOM 601 C TYR A 39 -2.306 -1.208 -8.766 1.00 0.00 C ATOM 602 O TYR A 39 -3.477 -1.238 -9.144 1.00 0.00 O ATOM 603 CB TYR A 39 -1.396 1.128 -9.000 1.00 0.00 C ATOM 604 CG TYR A 39 -1.382 0.711 -10.454 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.276 0.075 -11.001 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.473 0.956 -11.278 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.256 -0.306 -12.329 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.462 0.577 -12.607 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.351 -0.054 -13.128 1.00 0.00 C ATOM 610 OH TYR A 39 -1.336 -0.432 -14.450 1.00 0.00 O ATOM 0 H TYR A 39 0.307 -0.096 -7.642 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.528 0.369 -7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.110 1.942 -8.875 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.414 1.522 -8.739 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.583 -0.125 -10.378 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.344 1.451 -10.874 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.613 -0.799 -12.739 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.319 0.774 -13.235 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.185 -0.182 -14.871 1.00 0.00 H new ATOM 620 N ALA A 40 -1.451 -2.207 -8.972 1.00 0.00 N ATOM 621 CA ALA A 40 -1.850 -3.424 -9.667 1.00 0.00 C ATOM 622 C ALA A 40 -2.949 -4.149 -8.901 1.00 0.00 C ATOM 623 O ALA A 40 -3.878 -4.694 -9.496 1.00 0.00 O ATOM 624 CB ALA A 40 -0.650 -4.337 -9.867 1.00 0.00 C ATOM 0 H ALA A 40 -0.478 -2.196 -8.667 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.243 -3.146 -10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.964 -5.242 -10.387 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.105 -3.821 -10.460 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.230 -4.604 -8.897 1.00 0.00 H new ATOM 630 N TRP A 41 -2.832 -4.157 -7.576 1.00 0.00 N ATOM 631 CA TRP A 41 -3.823 -4.809 -6.728 1.00 0.00 C ATOM 632 C TRP A 41 -5.002 -3.880 -6.462 1.00 0.00 C ATOM 633 O TRP A 41 -6.135 -4.332 -6.293 1.00 0.00 O ATOM 634 CB TRP A 41 -3.192 -5.236 -5.400 1.00 0.00 C ATOM 635 CG TRP A 41 -2.155 -6.310 -5.542 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.801 -6.141 -5.637 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.388 -7.722 -5.601 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.182 -7.361 -5.749 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.134 -8.347 -5.731 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.536 -8.519 -5.555 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -0.996 -9.730 -5.816 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.398 -9.892 -5.639 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.136 -10.485 -5.768 1.00 0.00 C ATOM 0 H TRP A 41 -2.063 -3.720 -7.068 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.185 -5.694 -7.252 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.738 -4.365 -4.927 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.978 -5.588 -4.731 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.294 -5.188 -5.626 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.824 -7.510 -5.832 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.513 -8.070 -5.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.024 -10.190 -5.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.278 -10.517 -5.605 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.061 -11.561 -5.831 1.00 0.00 H new ATOM 654 N MET A 42 -4.726 -2.580 -6.428 1.00 0.00 N ATOM 655 CA MET A 42 -5.757 -1.578 -6.172 1.00 0.00 C ATOM 656 C MET A 42 -6.866 -1.642 -7.220 1.00 0.00 C ATOM 657 O MET A 42 -8.006 -1.257 -6.956 1.00 0.00 O ATOM 658 CB MET A 42 -5.131 -0.180 -6.158 1.00 0.00 C ATOM 659 CG MET A 42 -6.096 0.929 -5.770 1.00 0.00 C ATOM 660 SD MET A 42 -6.139 1.240 -3.993 1.00 0.00 S ATOM 661 CE MET A 42 -7.031 -0.197 -3.405 1.00 0.00 C ATOM 0 H MET A 42 -3.793 -2.194 -6.575 1.00 0.00 H new ATOM 0 HA MET A 42 -6.201 -1.789 -5.199 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.292 -0.176 -5.462 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.726 0.035 -7.147 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.813 1.846 -6.287 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.097 0.667 -6.111 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.259 -0.076 -2.346 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.959 -0.304 -3.966 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.418 -1.088 -3.545 1.00 0.00 H new ATOM 671 N ARG A 43 -6.526 -2.133 -8.407 1.00 0.00 N ATOM 672 CA ARG A 43 -7.492 -2.247 -9.494 1.00 0.00 C ATOM 673 C ARG A 43 -8.160 -3.620 -9.494 1.00 0.00 C ATOM 674 O ARG A 43 -9.211 -3.808 -10.107 1.00 0.00 O ATOM 675 CB ARG A 43 -6.807 -2.000 -10.838 1.00 0.00 C ATOM 676 CG ARG A 43 -5.683 -2.979 -11.135 1.00 0.00 C ATOM 677 CD ARG A 43 -4.952 -2.619 -12.417 1.00 0.00 C ATOM 678 NE ARG A 43 -3.870 -3.554 -12.712 1.00 0.00 N ATOM 679 CZ ARG A 43 -3.221 -3.590 -13.872 1.00 0.00 C ATOM 680 NH1 ARG A 43 -3.547 -2.749 -14.845 1.00 0.00 N ATOM 681 NH2 ARG A 43 -2.245 -4.466 -14.060 1.00 0.00 N ATOM 0 H ARG A 43 -5.588 -2.459 -8.641 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.263 -1.492 -9.340 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.551 -2.061 -11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.408 -0.986 -10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.978 -2.988 -10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.090 -3.987 -11.218 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.659 -2.609 -13.247 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.547 -1.611 -12.332 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.596 -4.217 -11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.297 -2.072 -14.704 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.047 -2.779 -15.734 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.991 -5.114 -13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.748 -4.493 -14.950 1.00 0.00 H new ATOM 695 N ARG A 44 -7.546 -4.576 -8.802 1.00 0.00 N ATOM 696 CA ARG A 44 -8.086 -5.931 -8.725 1.00 0.00 C ATOM 697 C ARG A 44 -9.170 -6.028 -7.656 1.00 0.00 C ATOM 698 O ARG A 44 -9.830 -7.058 -7.517 1.00 0.00 O ATOM 699 CB ARG A 44 -6.971 -6.934 -8.425 1.00 0.00 C ATOM 700 CG ARG A 44 -6.025 -7.162 -9.594 1.00 0.00 C ATOM 701 CD ARG A 44 -5.026 -8.268 -9.294 1.00 0.00 C ATOM 702 NE ARG A 44 -4.173 -8.560 -10.444 1.00 0.00 N ATOM 703 CZ ARG A 44 -3.463 -9.677 -10.570 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.497 -10.602 -9.620 1.00 0.00 N ATOM 705 NH2 ARG A 44 -2.715 -9.870 -11.649 1.00 0.00 N ATOM 0 H ARG A 44 -6.676 -4.438 -8.287 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.530 -6.169 -9.691 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.397 -6.581 -7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.418 -7.886 -8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.600 -7.421 -10.483 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.491 -6.238 -9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.405 -7.976 -8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.562 -9.171 -9.001 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.119 -7.868 -11.192 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.070 -10.458 -8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.951 -11.457 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.685 -9.161 -12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.170 -10.727 -11.745 1.00 0.00 H new ATOM 719 N LEU A 45 -9.347 -4.948 -6.906 1.00 0.00 N ATOM 720 CA LEU A 45 -10.350 -4.907 -5.850 1.00 0.00 C ATOM 721 C LEU A 45 -11.656 -4.306 -6.356 1.00 0.00 C ATOM 722 O LEU A 45 -12.725 -4.596 -5.826 1.00 0.00 O ATOM 723 CB LEU A 45 -9.846 -4.102 -4.658 1.00 0.00 C ATOM 724 CG LEU A 45 -8.395 -4.374 -4.250 1.00 0.00 C ATOM 725 CD1 LEU A 45 -7.996 -3.490 -3.080 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.203 -5.842 -3.899 1.00 0.00 C ATOM 0 H LEU A 45 -8.808 -4.088 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.536 -5.934 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.949 -3.041 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.491 -4.307 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.751 -4.137 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.962 -3.697 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.093 -2.443 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.647 -3.696 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.166 -6.015 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.858 -6.106 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.447 -6.458 -4.764 1.00 0.00 H new ATOM 738 N CYS A 46 -11.566 -3.468 -7.381 1.00 0.00 N ATOM 739 CA CYS A 46 -12.748 -2.835 -7.957 1.00 0.00 C ATOM 740 C CYS A 46 -12.764 -3.006 -9.473 1.00 0.00 C ATOM 741 O CYS A 46 -11.791 -2.683 -10.154 1.00 0.00 O ATOM 742 CB CYS A 46 -12.789 -1.348 -7.603 1.00 0.00 C ATOM 743 SG CYS A 46 -14.173 -0.452 -8.345 1.00 0.00 S ATOM 0 H CYS A 46 -10.688 -3.210 -7.831 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.629 -3.321 -7.538 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.842 -1.245 -6.519 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.856 -0.883 -7.922 1.00 0.00 H new ATOM 0 HG CYS A 46 -15.124 -0.319 -7.468 1.00 0.00 H new ATOM 749 N GLU A 47 -13.875 -3.518 -9.995 1.00 0.00 N ATOM 750 CA GLU A 47 -14.020 -3.732 -11.431 1.00 0.00 C ATOM 751 C GLU A 47 -14.101 -2.396 -12.160 1.00 0.00 C ATOM 752 O GLU A 47 -13.771 -2.296 -13.342 1.00 0.00 O ATOM 753 CB GLU A 47 -15.270 -4.564 -11.720 1.00 0.00 C ATOM 754 CG GLU A 47 -16.555 -3.920 -11.227 1.00 0.00 C ATOM 755 CD GLU A 47 -17.777 -4.778 -11.491 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.124 -5.601 -10.619 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.387 -4.627 -12.570 1.00 0.00 O ATOM 0 H GLU A 47 -14.688 -3.793 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.146 -4.275 -11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.345 -4.730 -12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.161 -5.543 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.474 -3.729 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.682 -2.953 -11.714 1.00 0.00 H new ATOM 764 N ARG A 48 -14.545 -1.374 -11.438 1.00 0.00 N ATOM 765 CA ARG A 48 -14.670 -0.033 -11.992 1.00 0.00 C ATOM 766 C ARG A 48 -13.592 0.871 -11.409 1.00 0.00 C ATOM 767 O ARG A 48 -13.867 1.992 -10.982 1.00 0.00 O ATOM 768 CB ARG A 48 -16.054 0.536 -11.683 1.00 0.00 C ATOM 769 CG ARG A 48 -17.186 -0.432 -11.975 1.00 0.00 C ATOM 770 CD ARG A 48 -18.506 0.080 -11.427 1.00 0.00 C ATOM 771 NE ARG A 48 -18.439 0.332 -9.989 1.00 0.00 N ATOM 772 CZ ARG A 48 -19.447 0.826 -9.278 1.00 0.00 C ATOM 773 NH1 ARG A 48 -20.597 1.122 -9.870 1.00 0.00 N ATOM 774 NH2 ARG A 48 -19.307 1.024 -7.975 1.00 0.00 N ATOM 0 H ARG A 48 -14.826 -1.451 -10.461 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.544 -0.084 -13.074 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.094 0.823 -10.632 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.203 1.444 -12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.270 -0.582 -13.051 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.959 -1.403 -11.535 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.781 0.999 -11.944 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -19.291 -0.648 -11.632 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.568 0.116 -9.503 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.708 0.970 -10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.370 1.501 -9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.425 0.797 -7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.082 1.403 -7.431 1.00 0.00 H new ATOM 788 N TYR A 49 -12.359 0.374 -11.402 1.00 0.00 N ATOM 789 CA TYR A 49 -11.236 1.121 -10.854 1.00 0.00 C ATOM 790 C TYR A 49 -10.224 1.471 -11.941 1.00 0.00 C ATOM 791 O TYR A 49 -9.363 0.660 -12.283 1.00 0.00 O ATOM 792 CB TYR A 49 -10.555 0.298 -9.763 1.00 0.00 C ATOM 793 CG TYR A 49 -9.929 1.136 -8.680 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.725 1.792 -8.890 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.545 1.270 -7.447 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.153 2.563 -7.897 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.983 2.039 -6.448 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.787 2.685 -6.677 1.00 0.00 C ATOM 799 OH TYR A 49 -8.221 3.451 -5.685 1.00 0.00 O ATOM 0 H TYR A 49 -12.114 -0.545 -11.771 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.618 2.050 -10.431 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.288 -0.373 -9.314 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.786 -0.327 -10.217 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.228 1.699 -9.844 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.481 0.764 -7.264 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.215 3.068 -8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.477 2.134 -5.493 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.794 3.433 -4.890 1.00 0.00 H new ATOM 809 N ASN A 50 -10.336 2.677 -12.486 1.00 0.00 N ATOM 810 CA ASN A 50 -9.421 3.131 -13.528 1.00 0.00 C ATOM 811 C ASN A 50 -8.042 3.432 -12.947 1.00 0.00 C ATOM 812 O ASN A 50 -7.024 2.976 -13.470 1.00 0.00 O ATOM 813 CB ASN A 50 -9.976 4.378 -14.219 1.00 0.00 C ATOM 814 CG ASN A 50 -11.399 4.188 -14.710 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.739 2.961 -15.089 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -12.183 5.136 -14.750 1.00 0.00 N flip ATOM 0 H ASN A 50 -11.050 3.357 -12.225 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.322 2.331 -14.262 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.944 5.218 -13.525 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.336 4.637 -15.062 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.879 6.062 -14.449 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.136 4.996 -15.084 1.00 0.00 H new ATOM 823 N GLY A 51 -8.017 4.202 -11.863 1.00 0.00 N ATOM 824 CA GLY A 51 -6.759 4.552 -11.228 1.00 0.00 C ATOM 825 C GLY A 51 -6.872 5.791 -10.360 1.00 0.00 C ATOM 826 O GLY A 51 -7.970 6.303 -10.140 1.00 0.00 O ATOM 0 H GLY A 51 -8.846 4.590 -11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.418 3.715 -10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.002 4.717 -11.995 1.00 0.00 H new ATOM 830 N ALA A 52 -5.732 6.277 -9.872 1.00 0.00 N ATOM 831 CA ALA A 52 -5.703 7.463 -9.022 1.00 0.00 C ATOM 832 C ALA A 52 -4.271 7.859 -8.677 1.00 0.00 C ATOM 833 O ALA A 52 -3.321 7.178 -9.062 1.00 0.00 O ATOM 834 CB ALA A 52 -6.506 7.225 -7.751 1.00 0.00 C ATOM 0 H ALA A 52 -4.816 5.866 -10.052 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.156 8.285 -9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.474 8.119 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.540 7.000 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.079 6.385 -7.203 1.00 0.00 H new ATOM 840 N TYR A 53 -4.124 8.962 -7.947 1.00 0.00 N ATOM 841 CA TYR A 53 -2.809 9.445 -7.552 1.00 0.00 C ATOM 842 C TYR A 53 -2.364 8.809 -6.242 1.00 0.00 C ATOM 843 O TYR A 53 -2.727 9.268 -5.160 1.00 0.00 O ATOM 844 CB TYR A 53 -2.820 10.967 -7.418 1.00 0.00 C ATOM 845 CG TYR A 53 -2.772 11.689 -8.745 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.770 11.414 -9.665 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.724 12.644 -9.074 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.718 12.070 -10.881 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.680 13.305 -10.287 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.676 13.015 -11.187 1.00 0.00 C ATOM 851 OH TYR A 53 -2.629 13.672 -12.396 1.00 0.00 O ATOM 0 H TYR A 53 -4.901 9.536 -7.619 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.099 9.162 -8.329 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.719 11.270 -6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.967 11.277 -6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.019 10.676 -9.427 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.511 12.874 -8.371 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.933 11.844 -11.587 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.428 14.045 -10.529 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.376 14.304 -12.454 1.00 0.00 H new ATOM 861 N TRP A 54 -1.586 7.741 -6.354 1.00 0.00 N ATOM 862 CA TRP A 54 -1.083 7.023 -5.187 1.00 0.00 C ATOM 863 C TRP A 54 -0.004 7.830 -4.469 1.00 0.00 C ATOM 864 O TRP A 54 1.188 7.543 -4.588 1.00 0.00 O ATOM 865 CB TRP A 54 -0.535 5.660 -5.614 1.00 0.00 C ATOM 866 CG TRP A 54 -1.195 5.132 -6.851 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.455 4.616 -6.953 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.633 5.085 -8.168 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.710 4.249 -8.253 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.606 4.526 -9.017 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.599 5.460 -8.711 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.386 4.334 -10.379 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.818 5.269 -10.062 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.171 4.711 -10.882 1.00 0.00 C ATOM 0 H TRP A 54 -1.287 7.349 -7.247 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.908 6.875 -4.490 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.538 5.743 -5.787 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.673 4.947 -4.801 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.150 4.511 -6.133 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.579 3.838 -8.594 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.367 5.892 -8.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.146 3.904 -11.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.767 5.554 -10.492 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.030 4.575 -11.934 1.00 0.00 H new ATOM 885 N HIS A 55 -0.441 8.849 -3.735 1.00 0.00 N ATOM 886 CA HIS A 55 0.462 9.713 -2.988 1.00 0.00 C ATOM 887 C HIS A 55 1.436 8.897 -2.150 1.00 0.00 C ATOM 888 O HIS A 55 1.069 7.873 -1.571 1.00 0.00 O ATOM 889 CB HIS A 55 -0.331 10.660 -2.084 1.00 0.00 C ATOM 890 CG HIS A 55 -1.332 11.497 -2.820 1.00 0.00 C ATOM 891 ND1 HIS A 55 -0.991 12.632 -3.526 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.672 11.360 -2.956 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.078 13.156 -4.063 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.111 12.403 -3.732 1.00 0.00 N ATOM 0 H HIS A 55 -1.426 9.097 -3.643 1.00 0.00 H new ATOM 0 HA HIS A 55 1.033 10.299 -3.708 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.849 10.074 -1.324 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.365 11.317 -1.561 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.047 13.008 -3.619 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.282 10.576 -2.533 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.116 14.049 -4.670 1.00 0.00 H new ATOM 903 N TYR A 56 2.676 9.360 -2.091 1.00 0.00 N ATOM 904 CA TYR A 56 3.709 8.679 -1.323 1.00 0.00 C ATOM 905 C TYR A 56 3.667 9.123 0.137 1.00 0.00 C ATOM 906 O TYR A 56 3.669 10.318 0.434 1.00 0.00 O ATOM 907 CB TYR A 56 5.088 8.952 -1.931 1.00 0.00 C ATOM 908 CG TYR A 56 5.197 8.546 -3.386 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.759 7.299 -3.815 1.00 0.00 C ATOM 910 CD2 TYR A 56 5.733 9.412 -4.333 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.853 6.925 -5.143 1.00 0.00 C ATOM 912 CE2 TYR A 56 5.829 9.046 -5.663 1.00 0.00 C ATOM 913 CZ TYR A 56 5.387 7.802 -6.063 1.00 0.00 C ATOM 914 OH TYR A 56 5.483 7.435 -7.385 1.00 0.00 O ATOM 0 H TYR A 56 2.992 10.205 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 56 3.522 7.606 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.312 10.015 -1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.843 8.417 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.338 6.610 -3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.080 10.387 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.510 5.951 -5.458 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.248 9.731 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 56 5.881 8.168 -7.900 1.00 0.00 H new ATOM 924 N TYR A 57 3.628 8.151 1.043 1.00 0.00 N ATOM 925 CA TYR A 57 3.570 8.443 2.472 1.00 0.00 C ATOM 926 C TYR A 57 4.821 7.964 3.201 1.00 0.00 C ATOM 927 O TYR A 57 5.346 6.886 2.921 1.00 0.00 O ATOM 928 CB TYR A 57 2.331 7.802 3.097 1.00 0.00 C ATOM 929 CG TYR A 57 1.064 8.593 2.877 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.684 9.588 3.769 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.248 8.348 1.780 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.472 10.316 3.575 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.911 9.074 1.579 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.267 10.056 2.479 1.00 0.00 C ATOM 935 OH TYR A 57 -2.421 10.780 2.282 1.00 0.00 O ATOM 0 H TYR A 57 3.635 7.157 0.815 1.00 0.00 H new ATOM 0 HA TYR A 57 3.513 9.526 2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.202 6.802 2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.494 7.684 4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.304 9.795 4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.523 7.579 1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.753 11.086 4.278 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.535 8.873 0.721 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.864 10.473 1.464 1.00 0.00 H new ATOM 945 N ALA A 58 5.287 8.781 4.140 1.00 0.00 N ATOM 946 CA ALA A 58 6.470 8.458 4.927 1.00 0.00 C ATOM 947 C ALA A 58 6.092 8.114 6.364 1.00 0.00 C ATOM 948 O ALA A 58 5.756 8.996 7.155 1.00 0.00 O ATOM 949 CB ALA A 58 7.451 9.620 4.906 1.00 0.00 C ATOM 0 H ALA A 58 4.860 9.677 4.375 1.00 0.00 H new ATOM 0 HA ALA A 58 6.946 7.585 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.330 9.365 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.752 9.823 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.975 10.506 5.327 1.00 0.00 H new ATOM 955 N LEU A 59 6.149 6.829 6.696 1.00 0.00 N ATOM 956 CA LEU A 59 5.813 6.372 8.039 1.00 0.00 C ATOM 957 C LEU A 59 6.977 6.603 8.999 1.00 0.00 C ATOM 958 O LEU A 59 8.140 6.595 8.596 1.00 0.00 O ATOM 959 CB LEU A 59 5.423 4.895 8.005 1.00 0.00 C ATOM 960 CG LEU A 59 3.946 4.627 7.712 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.760 3.241 7.117 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.115 4.787 8.976 1.00 0.00 C ATOM 0 H LEU A 59 6.425 6.086 6.054 1.00 0.00 H new ATOM 0 HA LEU A 59 4.963 6.950 8.401 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.026 4.392 7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.676 4.445 8.965 1.00 0.00 H new ATOM 0 HG LEU A 59 3.602 5.359 6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.702 3.070 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.323 3.166 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.121 2.491 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.067 4.593 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.460 4.080 9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.222 5.803 9.355 1.00 0.00 H new ATOM 974 N SER A 60 6.653 6.810 10.273 1.00 0.00 N ATOM 975 CA SER A 60 7.665 7.065 11.294 1.00 0.00 C ATOM 976 C SER A 60 8.392 5.788 11.708 1.00 0.00 C ATOM 977 O SER A 60 9.344 5.836 12.487 1.00 0.00 O ATOM 978 CB SER A 60 7.024 7.715 12.521 1.00 0.00 C ATOM 979 OG SER A 60 6.398 8.940 12.182 1.00 0.00 O ATOM 0 H SER A 60 5.695 6.806 10.623 1.00 0.00 H new ATOM 0 HA SER A 60 8.401 7.743 10.861 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.290 7.036 12.954 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.784 7.890 13.282 1.00 0.00 H new ATOM 0 HG SER A 60 5.586 8.760 11.663 1.00 0.00 H new ATOM 985 N ASP A 61 7.945 4.650 11.190 1.00 0.00 N ATOM 986 CA ASP A 61 8.568 3.373 11.523 1.00 0.00 C ATOM 987 C ASP A 61 9.559 2.954 10.442 1.00 0.00 C ATOM 988 O ASP A 61 10.590 2.348 10.734 1.00 0.00 O ATOM 989 CB ASP A 61 7.504 2.289 11.704 1.00 0.00 C ATOM 990 CG ASP A 61 8.047 1.062 12.410 1.00 0.00 C ATOM 991 OD1 ASP A 61 9.060 0.504 11.939 1.00 0.00 O ATOM 992 OD2 ASP A 61 7.461 0.661 13.438 1.00 0.00 O ATOM 0 H ASP A 61 7.160 4.584 10.543 1.00 0.00 H new ATOM 0 HA ASP A 61 9.110 3.497 12.461 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.669 2.694 12.275 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.113 2.001 10.728 1.00 0.00 H new ATOM 997 N GLY A 62 9.240 3.281 9.194 1.00 0.00 N ATOM 998 CA GLY A 62 10.111 2.929 8.089 1.00 0.00 C ATOM 999 C GLY A 62 9.425 2.035 7.076 1.00 0.00 C ATOM 1000 O GLY A 62 10.074 1.463 6.200 1.00 0.00 O ATOM 0 H GLY A 62 8.393 3.784 8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.452 3.839 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.997 2.424 8.474 1.00 0.00 H new ATOM 1004 N GLY A 63 8.107 1.914 7.199 1.00 0.00 N ATOM 1005 CA GLY A 63 7.349 1.085 6.281 1.00 0.00 C ATOM 1006 C GLY A 63 7.060 1.794 4.974 1.00 0.00 C ATOM 1007 O GLY A 63 7.351 1.272 3.898 1.00 0.00 O ATOM 0 H GLY A 63 7.551 2.376 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.903 0.168 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.409 0.793 6.749 1.00 0.00 H new ATOM 1011 N PHE A 64 6.484 2.990 5.078 1.00 0.00 N ATOM 1012 CA PHE A 64 6.149 3.796 3.909 1.00 0.00 C ATOM 1013 C PHE A 64 5.075 3.112 3.071 1.00 0.00 C ATOM 1014 O PHE A 64 5.235 1.967 2.649 1.00 0.00 O ATOM 1015 CB PHE A 64 7.399 4.057 3.067 1.00 0.00 C ATOM 1016 CG PHE A 64 8.572 4.528 3.878 1.00 0.00 C ATOM 1017 CD1 PHE A 64 8.515 5.726 4.572 1.00 0.00 C ATOM 1018 CD2 PHE A 64 9.728 3.769 3.957 1.00 0.00 C ATOM 1019 CE1 PHE A 64 9.588 6.160 5.326 1.00 0.00 C ATOM 1020 CE2 PHE A 64 10.805 4.197 4.709 1.00 0.00 C ATOM 1021 CZ PHE A 64 10.736 5.394 5.394 1.00 0.00 C ATOM 0 H PHE A 64 6.239 3.424 5.968 1.00 0.00 H new ATOM 0 HA PHE A 64 5.755 4.752 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.673 3.142 2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.168 4.804 2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.620 6.328 4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.788 2.831 3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.530 7.096 5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.701 3.596 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.577 5.731 5.982 1.00 0.00 H new ATOM 1031 N TYR A 65 3.979 3.824 2.830 1.00 0.00 N ATOM 1032 CA TYR A 65 2.877 3.272 2.050 1.00 0.00 C ATOM 1033 C TYR A 65 2.356 4.280 1.023 1.00 0.00 C ATOM 1034 O TYR A 65 2.696 5.462 1.067 1.00 0.00 O ATOM 1035 CB TYR A 65 1.748 2.819 2.983 1.00 0.00 C ATOM 1036 CG TYR A 65 0.710 3.883 3.271 1.00 0.00 C ATOM 1037 CD1 TYR A 65 0.890 4.806 4.296 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.453 3.960 2.516 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -0.060 5.774 4.556 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.406 4.925 2.770 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.206 5.830 3.791 1.00 0.00 C ATOM 1042 OH TYR A 65 -2.154 6.794 4.046 1.00 0.00 O ATOM 0 H TYR A 65 3.830 4.777 3.161 1.00 0.00 H new ATOM 0 HA TYR A 65 3.251 2.408 1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.252 1.955 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.183 2.488 3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.786 4.765 4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.614 3.252 1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.094 6.484 5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.304 4.971 2.172 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.007 7.562 3.456 1.00 0.00 H new ATOM 1052 N MET A 66 1.528 3.793 0.102 1.00 0.00 N ATOM 1053 CA MET A 66 0.948 4.630 -0.950 1.00 0.00 C ATOM 1054 C MET A 66 -0.575 4.570 -0.914 1.00 0.00 C ATOM 1055 O MET A 66 -1.159 3.516 -0.663 1.00 0.00 O ATOM 1056 CB MET A 66 1.450 4.170 -2.320 1.00 0.00 C ATOM 1057 CG MET A 66 2.930 4.432 -2.547 1.00 0.00 C ATOM 1058 SD MET A 66 3.594 3.519 -3.954 1.00 0.00 S ATOM 1059 CE MET A 66 2.521 4.082 -5.274 1.00 0.00 C ATOM 0 H MET A 66 1.241 2.815 0.062 1.00 0.00 H new ATOM 0 HA MET A 66 1.258 5.660 -0.777 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.258 3.102 -2.428 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.877 4.677 -3.096 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.085 5.499 -2.706 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.484 4.160 -1.649 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.866 3.672 -6.223 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.502 3.747 -5.082 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.542 5.171 -5.321 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.211 5.709 -1.166 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.668 5.786 -1.167 1.00 0.00 C ATOM 1071 C ALA A 67 -3.185 6.584 -2.364 1.00 0.00 C ATOM 1072 O ALA A 67 -2.715 7.690 -2.630 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.165 6.403 0.131 1.00 0.00 C ATOM 0 H ALA A 67 -0.741 6.591 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.055 4.770 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.254 6.454 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.842 5.790 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.756 7.408 0.236 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.166 6.029 -3.100 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.750 6.694 -4.271 1.00 0.00 C ATOM 1081 C PRO A 68 -5.484 7.976 -3.895 1.00 0.00 C ATOM 1082 O PRO A 68 -5.829 8.186 -2.731 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.731 5.657 -4.829 1.00 0.00 C ATOM 1084 CG PRO A 68 -6.025 4.747 -3.687 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.778 4.713 -2.851 1.00 0.00 C ATOM 0 HA PRO A 68 -3.987 6.998 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.640 6.133 -5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.294 5.111 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.873 5.111 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.285 3.749 -4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.006 4.569 -1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.117 3.899 -3.148 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.720 8.834 -4.884 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.406 10.101 -4.648 1.00 0.00 C ATOM 1095 C ASP A 69 -7.856 10.058 -5.124 1.00 0.00 C ATOM 1096 O ASP A 69 -8.166 10.471 -6.241 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.664 11.239 -5.350 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.297 12.592 -5.088 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.973 13.209 -4.051 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.118 13.035 -5.918 1.00 0.00 O ATOM 0 H ASP A 69 -5.447 8.676 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.412 10.276 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.627 11.255 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.648 11.051 -6.423 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.742 9.547 -4.271 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.163 9.468 -4.599 1.00 0.00 C ATOM 1107 C LEU A 70 -11.013 9.876 -3.400 1.00 0.00 C ATOM 1108 O LEU A 70 -11.081 9.158 -2.403 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.537 8.055 -5.054 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.744 7.526 -6.252 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.051 6.054 -6.485 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -10.052 8.339 -7.500 1.00 0.00 C ATOM 0 H LEU A 70 -8.501 9.182 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.360 10.159 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.398 7.372 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.598 8.040 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.681 7.627 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.479 5.694 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.778 5.481 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.116 5.931 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.479 7.947 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.117 8.272 -7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.782 9.381 -7.331 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.655 11.035 -3.504 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.494 11.545 -2.425 1.00 0.00 C ATOM 1126 C ALA A 71 -13.938 11.081 -2.573 1.00 0.00 C ATOM 1127 O ALA A 71 -14.643 11.497 -3.494 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.429 13.065 -2.381 1.00 0.00 C ATOM 0 H ALA A 71 -11.610 11.639 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.111 11.145 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.059 13.433 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.400 13.380 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.781 13.472 -3.329 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.372 10.217 -1.661 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.732 9.713 -1.702 1.00 0.00 C ATOM 1136 C GLY A 72 -15.816 8.234 -1.380 1.00 0.00 C ATOM 1137 O GLY A 72 -14.822 7.614 -1.006 1.00 0.00 O ATOM 0 H GLY A 72 -13.805 9.857 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.344 10.271 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.151 9.890 -2.692 1.00 0.00 H new ATOM 1141 N ARG A 73 -17.010 7.669 -1.529 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.230 6.260 -1.254 1.00 0.00 C ATOM 1143 C ARG A 73 -17.160 5.450 -2.540 1.00 0.00 C ATOM 1144 O ARG A 73 -17.972 5.623 -3.449 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.581 6.051 -0.567 1.00 0.00 C ATOM 1146 CG ARG A 73 -19.748 6.697 -1.295 1.00 0.00 C ATOM 1147 CD ARG A 73 -21.066 6.406 -0.597 1.00 0.00 C ATOM 1148 NE ARG A 73 -21.073 6.885 0.782 1.00 0.00 N ATOM 1149 CZ ARG A 73 -21.902 6.432 1.716 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -22.791 5.493 1.419 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -21.843 6.917 2.949 1.00 0.00 N ATOM 0 H ARG A 73 -17.841 8.171 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.444 5.915 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.770 4.981 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.529 6.453 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.593 7.775 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.788 6.329 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -21.880 6.877 -1.148 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.253 5.332 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.403 7.609 1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.839 5.117 0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.426 5.147 2.138 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -21.161 7.639 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -22.480 6.568 3.665 1.00 0.00 H new ATOM 1165 N LEU A 74 -16.177 4.568 -2.602 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.975 3.720 -3.770 1.00 0.00 C ATOM 1167 C LEU A 74 -16.101 2.246 -3.400 1.00 0.00 C ATOM 1168 O LEU A 74 -15.445 1.770 -2.474 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.602 3.986 -4.390 1.00 0.00 C ATOM 1170 CG LEU A 74 -14.284 5.459 -4.646 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -13.506 6.049 -3.479 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.509 5.621 -5.945 1.00 0.00 C ATOM 0 H LEU A 74 -15.501 4.418 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.748 3.961 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.837 3.574 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.536 3.446 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 74 -15.224 6.002 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -13.289 7.098 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.100 5.969 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.571 5.503 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.292 6.676 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.574 5.064 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.105 5.239 -6.774 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.947 1.527 -4.131 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.160 0.107 -3.880 1.00 0.00 C ATOM 1186 C GLU A 75 -15.915 -0.702 -4.230 1.00 0.00 C ATOM 1187 O GLU A 75 -15.591 -0.883 -5.403 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.353 -0.405 -4.691 1.00 0.00 C ATOM 1189 CG GLU A 75 -19.667 0.281 -4.352 1.00 0.00 C ATOM 1190 CD GLU A 75 -20.150 -0.036 -2.951 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.165 -1.229 -2.583 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -20.512 0.910 -2.220 1.00 0.00 O ATOM 0 H GLU A 75 -17.496 1.905 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.369 -0.018 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.145 -0.267 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -18.460 -1.477 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.546 1.359 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.427 -0.024 -5.071 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.219 -1.186 -3.205 1.00 0.00 N ATOM 1200 CA ILE A 76 -14.014 -1.980 -3.406 1.00 0.00 C ATOM 1201 C ILE A 76 -14.213 -3.412 -2.914 1.00 0.00 C ATOM 1202 O ILE A 76 -14.260 -3.669 -1.710 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.793 -1.348 -2.697 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.168 -0.265 -3.585 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.762 -2.412 -2.336 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.232 -0.803 -4.647 1.00 0.00 C ATOM 0 H ILE A 76 -15.470 -1.041 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.818 -1.998 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.133 -0.885 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.966 0.298 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.621 0.436 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.913 -1.942 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.214 -3.145 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.421 -2.910 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.832 0.025 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.412 -1.341 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.778 -1.481 -5.303 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.351 -4.334 -3.859 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.538 -5.743 -3.533 1.00 0.00 C ATOM 1220 C GLU A 77 -13.202 -6.477 -3.536 1.00 0.00 C ATOM 1221 O GLU A 77 -12.709 -6.898 -4.583 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.515 -6.403 -4.515 1.00 0.00 C ATOM 1223 CG GLU A 77 -15.158 -6.193 -5.978 1.00 0.00 C ATOM 1224 CD GLU A 77 -16.057 -6.975 -6.916 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -15.741 -8.150 -7.198 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -17.077 -6.413 -7.367 1.00 0.00 O ATOM 0 H GLU A 77 -14.337 -4.131 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.964 -5.806 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.552 -7.473 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.516 -6.009 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.226 -5.132 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.122 -6.490 -6.142 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.620 -6.623 -2.352 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.334 -7.294 -2.210 1.00 0.00 C ATOM 1235 C VAL A 78 -11.457 -8.792 -2.423 1.00 0.00 C ATOM 1236 O VAL A 78 -11.948 -9.509 -1.552 1.00 0.00 O ATOM 1237 CB VAL A 78 -10.710 -7.057 -0.822 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -9.916 -5.763 -0.801 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.769 -7.060 0.261 1.00 0.00 C ATOM 0 H VAL A 78 -13.018 -6.286 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.689 -6.864 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.024 -7.879 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.485 -5.617 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.117 -5.814 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.575 -4.928 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.299 -6.890 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.492 -6.268 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.279 -8.023 0.269 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.014 -9.265 -3.581 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.057 -10.689 -3.875 1.00 0.00 C ATOM 1251 C ASN A 79 -10.184 -11.441 -2.879 1.00 0.00 C ATOM 1252 O ASN A 79 -10.470 -12.585 -2.521 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.567 -10.946 -5.300 1.00 0.00 C ATOM 1254 CG ASN A 79 -9.134 -10.495 -5.502 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -8.950 -9.201 -5.735 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -8.203 -11.297 -5.437 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.624 -8.688 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.085 -11.042 -3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.646 -12.010 -5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.214 -10.423 -6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.391 -12.283 -5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.243 -10.976 -5.564 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.112 -10.779 -2.446 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.193 -11.366 -1.488 1.00 0.00 C ATOM 1265 C GLY A 80 -8.899 -12.084 -0.353 1.00 0.00 C ATOM 1266 O GLY A 80 -8.421 -13.111 0.129 1.00 0.00 O ATOM 0 H GLY A 80 -8.864 -9.837 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.539 -12.069 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.557 -10.583 -1.075 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.038 -11.547 0.075 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.804 -12.157 1.152 1.00 0.00 C ATOM 1272 C ASN A 81 -12.299 -12.063 0.871 1.00 0.00 C ATOM 1273 O ASN A 81 -13.125 -12.305 1.752 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.472 -11.497 2.490 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.343 -10.291 2.781 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.410 -10.414 3.381 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.885 -9.118 2.366 1.00 0.00 N ATOM 0 H ASN A 81 -10.448 -10.695 -0.307 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.530 -13.210 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.591 -12.228 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.425 -11.192 2.490 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.423 -8.269 2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.994 -9.064 1.872 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.639 -11.727 -0.369 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.030 -11.612 -0.760 1.00 0.00 C ATOM 1286 C GLY A 82 -14.822 -10.625 0.074 1.00 0.00 C ATOM 1287 O GLY A 82 -16.031 -10.791 0.241 1.00 0.00 O ATOM 0 H GLY A 82 -11.970 -11.531 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.080 -11.311 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.500 -12.593 -0.688 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.164 -9.595 0.603 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.869 -8.601 1.410 1.00 0.00 C ATOM 1293 C PHE A 83 -15.394 -7.466 0.544 1.00 0.00 C ATOM 1294 O PHE A 83 -14.649 -6.567 0.154 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.970 -8.049 2.517 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.593 -6.915 3.284 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.653 -7.145 4.147 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -14.121 -5.621 3.138 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -16.230 -6.105 4.851 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -14.693 -4.576 3.840 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.749 -4.819 4.698 1.00 0.00 C ATOM 0 H PHE A 83 -13.164 -9.428 0.491 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.718 -9.101 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.723 -8.854 3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.033 -7.708 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -16.032 -8.149 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.297 -5.426 2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -17.056 -6.297 5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.315 -3.572 3.718 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.197 -4.005 5.248 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.686 -7.517 0.244 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.321 -6.493 -0.569 1.00 0.00 C ATOM 1313 C ARG A 84 -17.756 -5.322 0.301 1.00 0.00 C ATOM 1314 O ARG A 84 -18.625 -5.463 1.162 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.524 -7.074 -1.311 1.00 0.00 C ATOM 1316 CG ARG A 84 -19.259 -6.057 -2.169 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.487 -6.667 -2.823 1.00 0.00 C ATOM 1318 NE ARG A 84 -21.367 -7.303 -1.847 1.00 0.00 N ATOM 1319 CZ ARG A 84 -22.625 -7.652 -2.102 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -23.155 -7.413 -3.294 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -23.354 -8.238 -1.162 1.00 0.00 N ATOM 0 H ARG A 84 -17.314 -8.259 0.553 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.598 -6.135 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.188 -7.896 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.220 -7.495 -0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.557 -5.207 -1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.588 -5.675 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -21.037 -5.891 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -20.175 -7.403 -3.564 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.996 -7.491 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.598 -6.960 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -24.120 -7.682 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -22.950 -8.421 -0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -24.319 -8.506 -1.358 1.00 0.00 H new ATOM 1335 N GLY A 85 -17.145 -4.168 0.071 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.478 -2.988 0.845 1.00 0.00 C ATOM 1337 C GLY A 85 -16.848 -1.728 0.290 1.00 0.00 C ATOM 1338 O GLY A 85 -15.737 -1.759 -0.238 1.00 0.00 O ATOM 0 H GLY A 85 -16.425 -4.027 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.561 -2.868 0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.151 -3.130 1.875 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.565 -0.615 0.409 1.00 0.00 N ATOM 1343 CA GLU A 86 -17.074 0.667 -0.076 1.00 0.00 C ATOM 1344 C GLU A 86 -16.078 1.266 0.909 1.00 0.00 C ATOM 1345 O GLU A 86 -16.368 1.392 2.099 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.238 1.633 -0.296 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.161 1.754 0.905 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.293 2.736 0.677 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.317 2.335 0.086 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -20.155 3.907 1.089 1.00 0.00 O ATOM 0 H GLU A 86 -18.490 -0.577 0.838 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.568 0.502 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.841 2.618 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.817 1.301 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.577 0.774 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.582 2.069 1.773 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.903 1.632 0.409 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.865 2.211 1.250 1.00 0.00 C ATOM 1359 C LEU A 87 -13.178 3.375 0.543 1.00 0.00 C ATOM 1360 O LEU A 87 -13.096 3.406 -0.685 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.838 1.141 1.625 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.932 1.493 2.807 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.755 1.683 4.073 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.883 0.410 3.010 1.00 0.00 C ATOM 0 H LEU A 87 -14.647 1.538 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.332 2.592 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.368 0.217 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.212 0.940 0.755 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.423 2.431 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.094 1.933 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.471 2.491 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.291 0.761 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.246 0.674 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.376 -0.541 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.274 0.320 2.110 1.00 0.00 H new ATOM 1376 N SER A 88 -12.686 4.329 1.326 1.00 0.00 N ATOM 1377 CA SER A 88 -12.006 5.496 0.776 1.00 0.00 C ATOM 1378 C SER A 88 -10.644 5.112 0.208 1.00 0.00 C ATOM 1379 O SER A 88 -10.072 4.090 0.582 1.00 0.00 O ATOM 1380 CB SER A 88 -11.838 6.569 1.854 1.00 0.00 C ATOM 1381 OG SER A 88 -11.202 7.721 1.332 1.00 0.00 O ATOM 0 H SER A 88 -12.745 4.317 2.344 1.00 0.00 H new ATOM 0 HA SER A 88 -12.618 5.896 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.814 6.840 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.251 6.169 2.681 1.00 0.00 H new ATOM 0 HG SER A 88 -11.108 8.392 2.040 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.129 5.942 -0.695 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.833 5.690 -1.314 1.00 0.00 C ATOM 1389 C ALA A 89 -7.722 5.664 -0.274 1.00 0.00 C ATOM 1390 O ALA A 89 -6.635 5.145 -0.525 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.539 6.742 -2.371 1.00 0.00 C ATOM 0 H ALA A 89 -10.590 6.794 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.873 4.710 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.568 6.541 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.312 6.712 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.526 7.729 -1.908 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.000 6.224 0.896 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.025 6.263 1.976 1.00 0.00 C ATOM 1399 C ASP A 90 -6.963 4.917 2.687 1.00 0.00 C ATOM 1400 O ASP A 90 -5.910 4.288 2.748 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.380 7.370 2.970 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.411 7.435 4.135 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -5.367 8.106 4.001 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.698 6.815 5.181 1.00 0.00 O ATOM 0 H ASP A 90 -8.895 6.658 1.121 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.045 6.475 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.387 8.330 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.389 7.204 3.349 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.103 4.478 3.214 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.178 3.206 3.922 1.00 0.00 C ATOM 1411 C ALA A 91 -8.022 2.028 2.966 1.00 0.00 C ATOM 1412 O ALA A 91 -7.779 0.900 3.395 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.492 3.102 4.681 1.00 0.00 C ATOM 0 H ALA A 91 -8.987 4.985 3.163 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.354 3.169 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.535 2.147 5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.561 3.916 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.324 3.168 3.980 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.161 2.293 1.670 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.029 1.254 0.658 1.00 0.00 C ATOM 1421 C ALA A 92 -6.598 1.191 0.154 1.00 0.00 C ATOM 1422 O ALA A 92 -6.085 0.116 -0.159 1.00 0.00 O ATOM 1423 CB ALA A 92 -8.990 1.504 -0.495 1.00 0.00 C ATOM 0 H ALA A 92 -8.365 3.220 1.297 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.282 0.295 1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.876 0.717 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.014 1.505 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.769 2.470 -0.950 1.00 0.00 H new ATOM 1429 N GLY A 93 -5.959 2.353 0.077 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.582 2.408 -0.369 1.00 0.00 C ATOM 1431 C GLY A 93 -3.682 1.596 0.535 1.00 0.00 C ATOM 1432 O GLY A 93 -2.559 1.254 0.167 1.00 0.00 O ATOM 0 H GLY A 93 -6.370 3.256 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.512 2.032 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.244 3.444 -0.388 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.188 1.290 1.727 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.442 0.503 2.700 1.00 0.00 C ATOM 1438 C ILE A 94 -3.392 -0.957 2.271 1.00 0.00 C ATOM 1439 O ILE A 94 -2.404 -1.652 2.498 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.078 0.578 4.104 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.726 1.947 4.343 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.037 0.285 5.174 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.767 3.111 4.229 1.00 0.00 C ATOM 0 H ILE A 94 -5.115 1.577 2.041 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.436 0.921 2.745 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.860 -0.179 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.535 2.085 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.176 1.956 5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.501 0.342 6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.630 -0.715 5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.233 1.018 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.302 4.043 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.971 3.000 4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.336 3.130 3.228 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.473 -1.406 1.645 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.585 -2.781 1.180 1.00 0.00 C ATOM 1457 C VAL A 95 -3.901 -2.971 -0.171 1.00 0.00 C ATOM 1458 O VAL A 95 -3.455 -4.071 -0.499 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.066 -3.195 1.064 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.195 -4.624 0.561 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.768 -3.026 2.403 1.00 0.00 C ATOM 0 H VAL A 95 -5.291 -0.831 1.447 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.086 -3.413 1.915 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.548 -2.542 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.249 -4.890 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.731 -4.707 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.697 -5.301 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.813 -3.322 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.281 -3.652 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.714 -1.982 2.713 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.809 -1.897 -0.948 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.183 -1.960 -2.264 1.00 0.00 C ATOM 1473 C ALA A 96 -1.671 -2.131 -2.160 1.00 0.00 C ATOM 1474 O ALA A 96 -1.089 -2.994 -2.817 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.517 -0.709 -3.061 1.00 0.00 C ATOM 0 H ALA A 96 -4.159 -0.974 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.580 -2.834 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.045 -0.766 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.598 -0.632 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.148 0.169 -2.531 1.00 0.00 H new ATOM 1481 N THR A 97 -1.040 -1.307 -1.330 1.00 0.00 N ATOM 1482 CA THR A 97 0.406 -1.366 -1.148 1.00 0.00 C ATOM 1483 C THR A 97 0.815 -2.611 -0.367 1.00 0.00 C ATOM 1484 O THR A 97 1.800 -3.269 -0.706 1.00 0.00 O ATOM 1485 CB THR A 97 0.938 -0.113 -0.426 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.332 -0.269 -0.135 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.172 0.141 0.864 1.00 0.00 C ATOM 0 H THR A 97 -1.507 -0.591 -0.773 1.00 0.00 H new ATOM 0 HA THR A 97 0.846 -1.410 -2.144 1.00 0.00 H new ATOM 0 HB THR A 97 0.797 0.743 -1.086 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.662 0.532 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.568 1.031 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.883 0.291 0.637 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.282 -0.717 1.527 1.00 0.00 H new ATOM 1495 N LEU A 98 0.056 -2.929 0.679 1.00 0.00 N ATOM 1496 CA LEU A 98 0.343 -4.105 1.499 1.00 0.00 C ATOM 1497 C LEU A 98 0.372 -5.372 0.649 1.00 0.00 C ATOM 1498 O LEU A 98 1.297 -6.179 0.754 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.695 -4.252 2.615 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.436 -3.401 3.861 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.588 -3.533 4.845 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.876 -3.800 4.519 1.00 0.00 C ATOM 0 H LEU A 98 -0.758 -2.393 0.978 1.00 0.00 H new ATOM 0 HA LEU A 98 1.327 -3.965 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.675 -3.993 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.739 -5.300 2.913 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.362 -2.358 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.387 -2.922 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.511 -3.197 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.693 -4.576 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.042 -3.184 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.832 -4.849 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.695 -3.653 3.815 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.644 -5.542 -0.193 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.730 -6.713 -1.061 1.00 0.00 C ATOM 1516 C PHE A 99 0.483 -6.802 -1.983 1.00 0.00 C ATOM 1517 O PHE A 99 0.918 -7.896 -2.347 1.00 0.00 O ATOM 1518 CB PHE A 99 -2.015 -6.672 -1.890 1.00 0.00 C ATOM 1519 CG PHE A 99 -3.128 -7.503 -1.317 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.917 -7.019 -0.285 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.384 -8.772 -1.812 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.940 -7.785 0.241 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.406 -9.542 -1.289 1.00 0.00 C ATOM 1524 CZ PHE A 99 -5.184 -9.048 -0.261 1.00 0.00 C ATOM 0 H PHE A 99 -1.418 -4.885 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.746 -7.599 -0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.351 -5.638 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.797 -7.019 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.730 -6.032 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.778 -9.164 -2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.548 -7.396 1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.596 -10.529 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.982 -9.648 0.150 1.00 0.00 H new ATOM 1534 N ALA A 100 1.023 -5.648 -2.359 1.00 0.00 N ATOM 1535 CA ALA A 100 2.186 -5.599 -3.236 1.00 0.00 C ATOM 1536 C ALA A 100 3.423 -6.153 -2.535 1.00 0.00 C ATOM 1537 O ALA A 100 4.217 -6.876 -3.135 1.00 0.00 O ATOM 1538 CB ALA A 100 2.435 -4.173 -3.705 1.00 0.00 C ATOM 0 H ALA A 100 0.674 -4.734 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 100 1.982 -6.223 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.307 -4.152 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.563 -3.812 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.614 -3.532 -2.842 1.00 0.00 H new ATOM 1544 N LEU A 101 3.579 -5.804 -1.261 1.00 0.00 N ATOM 1545 CA LEU A 101 4.716 -6.263 -0.471 1.00 0.00 C ATOM 1546 C LEU A 101 4.776 -7.787 -0.427 1.00 0.00 C ATOM 1547 O LEU A 101 5.849 -8.380 -0.539 1.00 0.00 O ATOM 1548 CB LEU A 101 4.625 -5.712 0.954 1.00 0.00 C ATOM 1549 CG LEU A 101 4.661 -4.185 1.069 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.316 -3.750 2.487 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.024 -3.649 0.659 1.00 0.00 C ATOM 0 H LEU A 101 2.930 -5.203 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 101 5.625 -5.895 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.701 -6.072 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.448 -6.123 1.538 1.00 0.00 H new ATOM 0 HG LEU A 101 3.915 -3.770 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.346 -2.662 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.316 -4.101 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.038 -4.175 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.029 -2.563 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.791 -4.070 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.230 -3.930 -0.374 1.00 0.00 H new ATOM 1563 N GLY A 102 3.616 -8.414 -0.263 1.00 0.00 N ATOM 1564 CA GLY A 102 3.551 -9.863 -0.194 1.00 0.00 C ATOM 1565 C GLY A 102 3.978 -10.547 -1.480 1.00 0.00 C ATOM 1566 O GLY A 102 4.567 -11.628 -1.444 1.00 0.00 O ATOM 0 H GLY A 102 2.716 -7.942 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.186 -10.209 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.531 -10.163 0.047 1.00 0.00 H new ATOM 1570 N GLN A 103 3.684 -9.925 -2.618 1.00 0.00 N ATOM 1571 CA GLN A 103 4.039 -10.504 -3.912 1.00 0.00 C ATOM 1572 C GLN A 103 5.523 -10.318 -4.214 1.00 0.00 C ATOM 1573 O GLN A 103 6.206 -11.264 -4.604 1.00 0.00 O ATOM 1574 CB GLN A 103 3.200 -9.879 -5.029 1.00 0.00 C ATOM 1575 CG GLN A 103 3.334 -10.603 -6.360 1.00 0.00 C ATOM 1576 CD GLN A 103 2.555 -9.934 -7.475 1.00 0.00 C ATOM 1577 OE1 GLN A 103 1.377 -10.224 -7.688 1.00 0.00 O ATOM 1578 NE2 GLN A 103 3.213 -9.040 -8.203 1.00 0.00 N ATOM 0 H GLN A 103 3.204 -9.026 -2.672 1.00 0.00 H new ATOM 0 HA GLN A 103 3.830 -11.573 -3.863 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.152 -9.876 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.497 -8.838 -5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.387 -10.651 -6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.987 -11.630 -6.246 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.189 -8.829 -7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.743 -8.564 -8.973 1.00 0.00 H new ATOM 1587 N LEU A 104 6.016 -9.096 -4.033 1.00 0.00 N ATOM 1588 CA LEU A 104 7.419 -8.791 -4.288 1.00 0.00 C ATOM 1589 C LEU A 104 8.335 -9.681 -3.455 1.00 0.00 C ATOM 1590 O LEU A 104 9.428 -10.044 -3.891 1.00 0.00 O ATOM 1591 CB LEU A 104 7.708 -7.320 -3.985 1.00 0.00 C ATOM 1592 CG LEU A 104 7.065 -6.320 -4.950 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.265 -4.896 -4.453 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.643 -6.482 -6.349 1.00 0.00 C ATOM 0 H LEU A 104 5.464 -8.301 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 104 7.617 -8.985 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.364 -7.099 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.787 -7.168 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 104 5.995 -6.523 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.802 -4.199 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.805 -4.786 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.331 -4.682 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.175 -5.763 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.718 -6.305 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.451 -7.493 -6.707 1.00 0.00 H new ATOM 1606 N ALA A 105 7.882 -10.030 -2.257 1.00 0.00 N ATOM 1607 CA ALA A 105 8.661 -10.878 -1.362 1.00 0.00 C ATOM 1608 C ALA A 105 8.636 -12.333 -1.821 1.00 0.00 C ATOM 1609 O ALA A 105 9.590 -13.080 -1.601 1.00 0.00 O ATOM 1610 CB ALA A 105 8.128 -10.765 0.059 1.00 0.00 C ATOM 0 H ALA A 105 6.979 -9.739 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 105 9.696 -10.536 -1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.716 -11.402 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.200 -9.730 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.085 -11.082 0.083 1.00 0.00 H new ATOM 1616 N ALA A 106 7.538 -12.728 -2.460 1.00 0.00 N ATOM 1617 CA ALA A 106 7.385 -14.096 -2.947 1.00 0.00 C ATOM 1618 C ALA A 106 7.904 -14.245 -4.374 1.00 0.00 C ATOM 1619 O ALA A 106 8.095 -15.361 -4.860 1.00 0.00 O ATOM 1620 CB ALA A 106 5.925 -14.517 -2.872 1.00 0.00 C ATOM 0 H ALA A 106 6.742 -12.121 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 106 7.981 -14.747 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.822 -15.539 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.584 -14.465 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.322 -13.849 -3.487 1.00 0.00 H new ATOM 1626 N GLU A 107 8.133 -13.118 -5.042 1.00 0.00 N ATOM 1627 CA GLU A 107 8.627 -13.134 -6.415 1.00 0.00 C ATOM 1628 C GLU A 107 10.067 -13.631 -6.469 1.00 0.00 C ATOM 1629 O GLU A 107 10.430 -14.419 -7.344 1.00 0.00 O ATOM 1630 CB GLU A 107 8.531 -11.735 -7.031 1.00 0.00 C ATOM 1631 CG GLU A 107 8.994 -11.676 -8.478 1.00 0.00 C ATOM 1632 CD GLU A 107 8.853 -10.292 -9.080 1.00 0.00 C ATOM 1633 OE1 GLU A 107 7.778 -9.997 -9.645 1.00 0.00 O ATOM 1634 OE2 GLU A 107 9.815 -9.502 -8.986 1.00 0.00 O ATOM 0 H GLU A 107 7.985 -12.185 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 107 8.005 -13.819 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.498 -11.392 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.130 -11.044 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.037 -11.988 -8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.416 -12.386 -9.070 1.00 0.00 H new ATOM 1750 N LEU A 117 12.467 -6.941 2.783 1.00 0.00 N ATOM 1751 CA LEU A 117 11.373 -6.081 2.352 1.00 0.00 C ATOM 1752 C LEU A 117 10.128 -6.366 3.180 1.00 0.00 C ATOM 1753 O LEU A 117 9.194 -5.564 3.219 1.00 0.00 O ATOM 1754 CB LEU A 117 11.094 -6.262 0.846 1.00 0.00 C ATOM 1755 CG LEU A 117 10.254 -7.483 0.431 1.00 0.00 C ATOM 1756 CD1 LEU A 117 10.726 -8.746 1.135 1.00 0.00 C ATOM 1757 CD2 LEU A 117 8.773 -7.238 0.688 1.00 0.00 C ATOM 0 HA LEU A 117 11.661 -5.042 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.589 -5.366 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.052 -6.319 0.329 1.00 0.00 H new ATOM 0 HG LEU A 117 10.392 -7.630 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.112 -9.589 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.767 -8.939 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.638 -8.616 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.201 -8.116 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.614 -7.049 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.442 -6.374 0.112 1.00 0.00 H new ATOM 1769 N ILE A 118 10.128 -7.518 3.843 1.00 0.00 N ATOM 1770 CA ILE A 118 9.008 -7.920 4.679 1.00 0.00 C ATOM 1771 C ILE A 118 8.868 -6.976 5.867 1.00 0.00 C ATOM 1772 O ILE A 118 7.765 -6.742 6.365 1.00 0.00 O ATOM 1773 CB ILE A 118 9.184 -9.370 5.184 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.870 -10.367 4.062 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.302 -9.632 6.398 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.446 -10.287 3.552 1.00 0.00 C ATOM 0 H ILE A 118 10.895 -8.190 3.816 1.00 0.00 H new ATOM 0 HA ILE A 118 8.104 -7.872 4.072 1.00 0.00 H new ATOM 0 HB ILE A 118 10.223 -9.504 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.554 -10.192 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.060 -11.378 4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.443 -10.659 6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.574 -8.946 7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.257 -9.479 6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.301 -11.022 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.755 -10.493 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.256 -9.288 3.159 1.00 0.00 H new ATOM 1788 N ASP A 119 9.996 -6.434 6.310 1.00 0.00 N ATOM 1789 CA ASP A 119 10.016 -5.507 7.433 1.00 0.00 C ATOM 1790 C ASP A 119 9.038 -4.361 7.207 1.00 0.00 C ATOM 1791 O ASP A 119 8.335 -3.943 8.126 1.00 0.00 O ATOM 1792 CB ASP A 119 11.426 -4.952 7.630 1.00 0.00 C ATOM 1793 CG ASP A 119 12.084 -5.474 8.892 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.515 -6.646 8.895 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.167 -4.713 9.878 1.00 0.00 O ATOM 0 H ASP A 119 10.913 -6.622 5.905 1.00 0.00 H new ATOM 0 HA ASP A 119 9.713 -6.050 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 119 12.040 -5.215 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.382 -3.864 7.670 1.00 0.00 H new ATOM 1800 N ARG A 120 8.998 -3.861 5.976 1.00 0.00 N ATOM 1801 CA ARG A 120 8.110 -2.759 5.625 1.00 0.00 C ATOM 1802 C ARG A 120 6.649 -3.143 5.836 1.00 0.00 C ATOM 1803 O ARG A 120 5.842 -2.326 6.281 1.00 0.00 O ATOM 1804 CB ARG A 120 8.330 -2.337 4.169 1.00 0.00 C ATOM 1805 CG ARG A 120 9.670 -1.661 3.915 1.00 0.00 C ATOM 1806 CD ARG A 120 10.829 -2.641 4.017 1.00 0.00 C ATOM 1807 NE ARG A 120 12.107 -2.012 3.694 1.00 0.00 N ATOM 1808 CZ ARG A 120 13.269 -2.388 4.219 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.320 -3.397 5.077 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.384 -1.755 3.882 1.00 0.00 N ATOM 0 H ARG A 120 9.571 -4.202 5.204 1.00 0.00 H new ATOM 0 HA ARG A 120 8.345 -1.920 6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.252 -3.217 3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.530 -1.658 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.665 -1.207 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.812 -0.855 4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.871 -3.049 5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.656 -3.479 3.341 1.00 0.00 H new ATOM 0 HE ARG A 120 12.108 -1.240 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.465 -3.889 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.214 -3.682 5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 120 14.350 -0.980 3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 120 15.276 -2.043 4.285 1.00 0.00 H new ATOM 1824 N TYR A 121 6.313 -4.388 5.515 1.00 0.00 N ATOM 1825 CA TYR A 121 4.945 -4.873 5.670 1.00 0.00 C ATOM 1826 C TYR A 121 4.526 -4.849 7.136 1.00 0.00 C ATOM 1827 O TYR A 121 3.450 -4.355 7.474 1.00 0.00 O ATOM 1828 CB TYR A 121 4.812 -6.291 5.107 1.00 0.00 C ATOM 1829 CG TYR A 121 3.392 -6.814 5.104 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.807 -7.307 6.264 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.636 -6.816 3.937 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.511 -7.787 6.262 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.340 -7.293 3.928 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.781 -7.778 5.091 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.509 -8.254 5.085 1.00 0.00 O ATOM 0 H TYR A 121 6.967 -5.079 5.147 1.00 0.00 H new ATOM 0 HA TYR A 121 4.285 -4.210 5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.197 -6.305 4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.437 -6.965 5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.375 -7.315 7.183 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.069 -6.438 3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.072 -8.167 7.172 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.766 -7.286 3.013 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.882 -8.176 4.182 1.00 0.00 H new ATOM 1845 N HIS A 122 5.377 -5.389 8.003 1.00 0.00 N ATOM 1846 CA HIS A 122 5.091 -5.425 9.433 1.00 0.00 C ATOM 1847 C HIS A 122 4.952 -4.015 9.996 1.00 0.00 C ATOM 1848 O HIS A 122 4.240 -3.794 10.977 1.00 0.00 O ATOM 1849 CB HIS A 122 6.196 -6.174 10.181 1.00 0.00 C ATOM 1850 CG HIS A 122 6.114 -7.662 10.039 1.00 0.00 C ATOM 1851 ND1 HIS A 122 5.790 -8.501 11.085 1.00 0.00 N ATOM 1852 CD2 HIS A 122 6.320 -8.464 8.967 1.00 0.00 C ATOM 1853 CE1 HIS A 122 5.802 -9.753 10.663 1.00 0.00 C ATOM 1854 NE2 HIS A 122 6.120 -9.757 9.382 1.00 0.00 N ATOM 0 H HIS A 122 6.269 -5.807 7.741 1.00 0.00 H new ATOM 0 HA HIS A 122 4.146 -5.951 9.573 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.165 -5.835 9.815 1.00 0.00 H new ATOM 0 HB3 HIS A 122 6.147 -5.915 11.239 1.00 0.00 H new ATOM 0 HD2 HIS A 122 6.591 -8.145 7.971 1.00 0.00 H new ATOM 0 HE1 HIS A 122 5.588 -10.625 11.264 1.00 0.00 H new ATOM 0 HE2 HIS A 122 6.204 -10.587 8.795 1.00 0.00 H new ATOM 1863 N PHE A 123 5.636 -3.064 9.369 1.00 0.00 N ATOM 1864 CA PHE A 123 5.593 -1.673 9.811 1.00 0.00 C ATOM 1865 C PHE A 123 4.254 -1.020 9.470 1.00 0.00 C ATOM 1866 O PHE A 123 3.589 -0.461 10.342 1.00 0.00 O ATOM 1867 CB PHE A 123 6.737 -0.876 9.176 1.00 0.00 C ATOM 1868 CG PHE A 123 8.111 -1.311 9.612 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.287 -2.120 10.726 1.00 0.00 C ATOM 1870 CD2 PHE A 123 9.231 -0.906 8.901 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.551 -2.514 11.121 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.498 -1.297 9.294 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.658 -2.102 10.404 1.00 0.00 C ATOM 0 H PHE A 123 6.226 -3.230 8.554 1.00 0.00 H new ATOM 0 HA PHE A 123 5.708 -1.667 10.895 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.668 -0.964 8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.608 0.179 9.419 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.426 -2.445 11.291 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.112 -0.278 8.030 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.674 -3.144 11.990 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.362 -0.973 8.733 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.647 -2.409 10.711 1.00 0.00 H new ATOM 1883 N LEU A 124 3.865 -1.093 8.201 1.00 0.00 N ATOM 1884 CA LEU A 124 2.608 -0.503 7.749 1.00 0.00 C ATOM 1885 C LEU A 124 1.415 -1.183 8.410 1.00 0.00 C ATOM 1886 O LEU A 124 0.480 -0.518 8.855 1.00 0.00 O ATOM 1887 CB LEU A 124 2.490 -0.603 6.227 1.00 0.00 C ATOM 1888 CG LEU A 124 1.141 -0.163 5.647 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.840 1.280 6.018 1.00 0.00 C ATOM 1890 CD2 LEU A 124 1.131 -0.340 4.137 1.00 0.00 C ATOM 0 H LEU A 124 4.402 -1.555 7.467 1.00 0.00 H new ATOM 0 HA LEU A 124 2.607 0.548 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.276 0.003 5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.675 -1.636 5.931 1.00 0.00 H new ATOM 0 HG LEU A 124 0.361 -0.793 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.122 1.571 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.804 1.377 7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.621 1.928 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.167 -0.023 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.922 0.265 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.297 -1.389 3.893 1.00 0.00 H new ATOM 1902 N ARG A 125 1.451 -2.511 8.459 1.00 0.00 N ATOM 1903 CA ARG A 125 0.378 -3.287 9.070 1.00 0.00 C ATOM 1904 C ARG A 125 -0.013 -2.714 10.432 1.00 0.00 C ATOM 1905 O ARG A 125 -1.190 -2.691 10.790 1.00 0.00 O ATOM 1906 CB ARG A 125 0.802 -4.750 9.223 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.250 -5.622 9.890 1.00 0.00 C ATOM 1908 CD ARG A 125 0.201 -7.071 9.987 1.00 0.00 C ATOM 1909 NE ARG A 125 -0.776 -7.900 10.688 1.00 0.00 N ATOM 1910 CZ ARG A 125 -0.661 -9.216 10.833 1.00 0.00 C ATOM 1911 NH1 ARG A 125 0.389 -9.855 10.337 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -1.599 -9.896 11.479 1.00 0.00 N ATOM 0 H ARG A 125 2.214 -3.073 8.082 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.490 -3.231 8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.029 -5.159 8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.722 -4.794 9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.461 -5.239 10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.180 -5.567 9.324 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.362 -7.469 8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 125 1.158 -7.119 10.507 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.594 -7.442 11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.114 -9.337 9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.472 -10.865 10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.408 -9.409 11.864 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.511 -10.906 11.591 1.00 0.00 H new ATOM 1926 N GLY A 126 0.981 -2.251 11.186 1.00 0.00 N ATOM 1927 CA GLY A 126 0.718 -1.690 12.498 1.00 0.00 C ATOM 1928 C GLY A 126 -0.022 -0.368 12.439 1.00 0.00 C ATOM 1929 O GLY A 126 -0.815 -0.055 13.328 1.00 0.00 O ATOM 0 H GLY A 126 1.963 -2.255 10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.133 -2.402 13.081 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.663 -1.548 13.023 1.00 0.00 H new ATOM 1933 N PHE A 127 0.235 0.412 11.395 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.415 1.707 11.230 1.00 0.00 C ATOM 1935 C PHE A 127 -1.873 1.529 10.817 1.00 0.00 C ATOM 1936 O PHE A 127 -2.717 2.381 11.094 1.00 0.00 O ATOM 1937 CB PHE A 127 0.330 2.545 10.188 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.239 3.924 9.998 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.169 4.863 11.014 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.839 4.280 8.801 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.688 6.132 10.839 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.359 5.548 8.622 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.284 6.474 9.642 1.00 0.00 C ATOM 0 H PHE A 127 0.889 0.170 10.650 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.389 2.229 12.187 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.375 2.631 10.485 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.312 2.020 9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.296 4.601 11.953 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.901 3.559 7.999 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.627 6.856 11.638 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.824 5.814 7.684 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.691 7.465 9.504 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.160 0.413 10.153 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.513 0.117 9.703 1.00 0.00 C ATOM 1955 C ALA A 128 -4.460 -0.037 10.889 1.00 0.00 C ATOM 1956 O ALA A 128 -5.661 0.206 10.770 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.521 -1.145 8.853 1.00 0.00 C ATOM 0 H ALA A 128 -1.471 -0.301 9.915 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.861 0.953 9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.538 -1.355 8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.880 -1.002 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.151 -1.983 9.443 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.910 -0.440 12.029 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.706 -0.624 13.238 1.00 0.00 C ATOM 1965 C ALA A 129 -5.148 0.718 13.812 1.00 0.00 C ATOM 1966 O ALA A 129 -6.134 0.795 14.546 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.918 -1.410 14.274 1.00 0.00 C ATOM 0 H ALA A 129 -2.917 -0.645 12.142 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.600 -1.189 12.973 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.524 -1.540 15.171 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.657 -2.387 13.868 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.007 -0.867 14.527 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.412 1.772 13.474 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.743 3.097 13.963 1.00 0.00 C ATOM 1975 C GLY A 130 -5.715 3.823 13.054 1.00 0.00 C ATOM 1976 O GLY A 130 -6.248 4.873 13.414 1.00 0.00 O ATOM 0 H GLY A 130 -3.591 1.732 12.869 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.174 3.016 14.961 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.830 3.685 14.058 1.00 0.00 H new ATOM 1980 N HIS A 131 -5.947 3.260 11.873 1.00 0.00 N ATOM 1981 CA HIS A 131 -6.861 3.855 10.903 1.00 0.00 C ATOM 1982 C HIS A 131 -8.307 3.785 11.395 1.00 0.00 C ATOM 1983 O HIS A 131 -8.668 2.884 12.152 1.00 0.00 O ATOM 1984 CB HIS A 131 -6.739 3.142 9.555 1.00 0.00 C ATOM 1985 CG HIS A 131 -5.719 3.747 8.643 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.014 4.752 7.746 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.401 3.479 8.484 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -4.923 5.075 7.075 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -3.931 4.318 7.504 1.00 0.00 N ATOM 0 H HIS A 131 -5.514 2.390 11.563 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.588 4.903 10.783 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.483 2.097 9.729 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.709 3.154 9.059 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -3.827 2.743 9.027 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -4.855 5.830 6.306 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -2.970 4.351 7.163 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.152 4.740 10.965 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.565 4.776 11.357 1.00 0.00 C ATOM 2000 C PRO A 132 -11.337 3.591 10.791 1.00 0.00 C ATOM 2001 O PRO A 132 -12.472 3.323 11.188 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.077 6.087 10.752 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.139 6.384 9.634 1.00 0.00 C ATOM 2004 CD PRO A 132 -8.800 5.853 10.066 1.00 0.00 C ATOM 0 HA PRO A 132 -10.693 4.720 12.438 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.101 5.983 10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.079 6.889 11.490 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.469 5.907 8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.090 7.455 9.440 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.209 5.512 9.216 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.212 6.614 10.579 1.00 0.00 H new ATOM 2012 N GLU A 133 -10.707 2.886 9.859 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.313 1.722 9.230 1.00 0.00 C ATOM 2014 C GLU A 133 -10.444 0.492 9.435 1.00 0.00 C ATOM 2015 O GLU A 133 -10.489 -0.447 8.642 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.519 1.971 7.736 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.694 2.881 7.434 1.00 0.00 C ATOM 2018 CD GLU A 133 -14.030 2.228 7.725 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -14.577 1.566 6.819 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -14.528 2.376 8.861 1.00 0.00 O ATOM 0 H GLU A 133 -9.770 3.104 9.521 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.283 1.548 9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.612 2.410 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.670 1.016 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -12.603 3.792 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -12.659 3.176 6.385 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.648 0.514 10.500 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.763 -0.598 10.824 1.00 0.00 C ATOM 2029 C ALA A 134 -9.465 -1.930 10.602 1.00 0.00 C ATOM 2030 O ALA A 134 -8.896 -2.852 10.018 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.279 -0.485 12.261 1.00 0.00 C ATOM 0 H ALA A 134 -9.599 1.294 11.155 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.900 -0.554 10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.619 -1.322 12.490 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.736 0.451 12.389 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.135 -0.503 12.936 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.703 -2.028 11.076 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.485 -3.244 10.919 1.00 0.00 C ATOM 2039 C ALA A 135 -11.619 -3.634 9.449 1.00 0.00 C ATOM 2040 O ALA A 135 -11.468 -4.801 9.095 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.859 -3.072 11.548 1.00 0.00 C ATOM 0 H ALA A 135 -11.184 -1.278 11.572 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.959 -4.049 11.431 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.434 -3.990 11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.748 -2.855 12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.381 -2.248 11.062 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.907 -2.655 8.598 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.066 -2.913 7.171 1.00 0.00 C ATOM 2049 C ALA A 136 -10.733 -3.249 6.505 1.00 0.00 C ATOM 2050 O ALA A 136 -10.669 -4.103 5.622 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.707 -1.712 6.491 1.00 0.00 C ATOM 0 H ALA A 136 -12.035 -1.680 8.869 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.717 -3.780 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.821 -1.915 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.686 -1.524 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.073 -0.836 6.627 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.674 -2.570 6.931 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.343 -2.774 6.365 1.00 0.00 C ATOM 2059 C ILE A 137 -7.765 -4.158 6.671 1.00 0.00 C ATOM 2060 O ILE A 137 -7.350 -4.872 5.757 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.364 -1.702 6.877 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -7.827 -0.313 6.431 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -5.954 -1.986 6.378 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.060 0.817 7.076 1.00 0.00 C ATOM 0 H ILE A 137 -9.711 -1.869 7.671 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.463 -2.694 5.285 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.350 -1.730 7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.728 -0.237 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -8.886 -0.201 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.275 -1.218 6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.630 -2.962 6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.946 -1.981 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.443 1.771 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.180 0.767 8.158 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.003 0.730 6.823 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.736 -4.539 7.946 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.168 -5.827 8.335 1.00 0.00 C ATOM 2078 C TYR A 138 -7.956 -6.986 7.733 1.00 0.00 C ATOM 2079 O TYR A 138 -7.382 -8.017 7.381 1.00 0.00 O ATOM 2080 CB TYR A 138 -7.095 -5.951 9.863 1.00 0.00 C ATOM 2081 CG TYR A 138 -8.281 -6.644 10.497 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.433 -5.940 10.810 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -8.243 -8.002 10.785 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.518 -6.568 11.395 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -9.322 -8.640 11.368 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.457 -7.918 11.672 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.534 -8.546 12.252 1.00 0.00 O ATOM 0 H TYR A 138 -8.095 -3.981 8.720 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.154 -5.876 7.939 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.189 -6.496 10.127 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.003 -4.953 10.291 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.485 -4.883 10.594 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.355 -8.570 10.549 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.408 -6.004 11.634 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.276 -9.697 11.584 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.329 -9.496 12.379 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.269 -6.818 7.615 1.00 0.00 N ATOM 2098 CA ARG A 139 -10.112 -7.859 7.041 1.00 0.00 C ATOM 2099 C ARG A 139 -9.955 -7.882 5.526 1.00 0.00 C ATOM 2100 O ARG A 139 -10.051 -8.935 4.898 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.580 -7.650 7.421 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.218 -6.431 6.773 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.668 -6.271 7.200 1.00 0.00 C ATOM 2104 NE ARG A 139 -13.803 -6.158 8.650 1.00 0.00 N ATOM 2105 CZ ARG A 139 -14.972 -6.062 9.277 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -16.104 -6.075 8.586 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -15.009 -5.954 10.598 1.00 0.00 N ATOM 0 H ARG A 139 -9.769 -5.978 7.907 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.793 -8.819 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -12.147 -8.537 7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.654 -7.554 8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.656 -5.537 7.044 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.165 -6.524 5.688 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -14.089 -5.384 6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -14.246 -7.125 6.848 1.00 0.00 H new ATOM 0 HE ARG A 139 -12.953 -6.152 9.213 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -16.080 -6.159 7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.998 -6.001 9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -14.141 -5.945 11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -15.906 -5.880 11.079 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.707 -6.710 4.948 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.525 -6.591 3.508 1.00 0.00 C ATOM 2123 C ALA A 140 -8.282 -7.348 3.059 1.00 0.00 C ATOM 2124 O ALA A 140 -8.254 -7.934 1.977 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.429 -5.127 3.103 1.00 0.00 C ATOM 0 H ALA A 140 -9.628 -5.830 5.457 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.392 -7.032 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.293 -5.056 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.345 -4.610 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.580 -4.665 3.607 1.00 0.00 H new ATOM 2131 N ILE A 141 -7.255 -7.329 3.902 1.00 0.00 N ATOM 2132 CA ILE A 141 -6.006 -8.016 3.602 1.00 0.00 C ATOM 2133 C ILE A 141 -5.992 -9.414 4.210 1.00 0.00 C ATOM 2134 O ILE A 141 -5.126 -10.231 3.896 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.793 -7.232 4.135 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.892 -7.079 5.655 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.703 -5.871 3.460 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.671 -6.447 6.285 1.00 0.00 C ATOM 0 H ILE A 141 -7.264 -6.844 4.799 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.937 -8.089 2.517 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.884 -7.787 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.767 -6.474 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -5.052 -8.061 6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.840 -5.329 3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.594 -6.005 2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.610 -5.303 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.815 -6.372 7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.795 -7.062 6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.521 -5.451 5.869 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.956 -9.676 5.087 1.00 0.00 N ATOM 2151 CA ASP A 142 -7.063 -10.972 5.752 1.00 0.00 C ATOM 2152 C ASP A 142 -7.078 -12.111 4.735 1.00 0.00 C ATOM 2153 O ASP A 142 -8.171 -12.435 4.225 1.00 0.00 O ATOM 2154 CB ASP A 142 -8.328 -11.025 6.610 1.00 0.00 C ATOM 2155 CG ASP A 142 -8.470 -12.340 7.352 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -9.082 -13.274 6.792 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -7.969 -12.436 8.492 1.00 0.00 O ATOM 2158 OXT ASP A 142 -5.996 -12.672 4.460 1.00 0.00 O ATOM 0 H ASP A 142 -7.677 -9.006 5.355 1.00 0.00 H new ATOM 0 HA ASP A 142 -6.190 -11.094 6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -8.311 -10.206 7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -9.201 -10.873 5.975 1.00 0.00 H new