USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= 0.465 X(o=1.9,f=1.7) USER MOD Set 1.2: A 76 TYR OH : rot 160:sc= 1.47 USER MOD Set 2.1: A 56 SER OG : rot 160:sc= -0.036 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -132:sc= -0.0147 (180deg=-1.77) USER MOD Set 3.1: A 48 GLN : amide:sc= -1.41! C(o=-2.3!,f=-2.7!) USER MOD Set 3.2: A 49 ASN :FLIP amide:sc= -0.843! C(o=-2.7!,f=-2.3!) USER MOD Single : A 7 SER OG : rot 180:sc= -1.48! USER MOD Single : A 8 TYR OH : rot 11:sc= 0.0285 USER MOD Single : A 13 THR OG1 : rot 102:sc= 1.12 USER MOD Single : A 14 MET CE :methyl 140:sc= -1.38 (180deg=-6.39!) USER MOD Single : A 18 GLN : amide:sc= -0.494 K(o=-0.49,f=-2.8!) USER MOD Single : A 19 SER OG : rot -76:sc= 0.457 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= 0.88 (180deg=-0.326) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 41:sc= 0.775 USER MOD Single : A 27 SER OG : rot 165:sc= 0.423 USER MOD Single : A 30 CYS SG : rot 33:sc= 0.713 USER MOD Single : A 34 SER OG : rot 92:sc= 0.567 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -68:sc= 0.83 USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -0.0109 (180deg=-0.247) USER MOD Single : A 50 SER OG : rot -124:sc= 0.558 USER MOD Single : A 53 HIS : no HE2:sc= -2.75! C(o=-2.8!,f=-4.3!) USER MOD Single : A 54 ASN : amide:sc= -0.897 K(o=-0.9,f=-2.7!) USER MOD Single : A 58 ASN : amide:sc= -7.03! C(o=-7!,f=-9!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -5.24! C(o=-5.2!,f=-7.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.3!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.116 USER MOD Single : A 86 MET CE :methyl -138:sc= -2.45 (180deg=-9.88!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 6.147 5.591 8.631 1.00 0.00 N ATOM 89 CA SER A 7 6.736 4.278 8.832 1.00 0.00 C ATOM 90 C SER A 7 5.789 3.400 9.652 1.00 0.00 C ATOM 91 O SER A 7 4.631 3.756 9.861 1.00 0.00 O ATOM 92 CB SER A 7 8.096 4.384 9.525 1.00 0.00 C ATOM 93 OG SER A 7 7.965 4.667 10.916 1.00 0.00 O ATOM 0 HA SER A 7 6.892 3.820 7.855 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.643 3.450 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.685 5.168 9.049 1.00 0.00 H new ATOM 0 HG SER A 7 8.855 4.725 11.323 1.00 0.00 H new ATOM 99 N TYR A 8 6.317 2.268 10.094 1.00 0.00 N ATOM 100 CA TYR A 8 5.534 1.336 10.887 1.00 0.00 C ATOM 101 C TYR A 8 5.504 1.757 12.358 1.00 0.00 C ATOM 102 O TYR A 8 4.605 1.366 13.101 1.00 0.00 O ATOM 103 CB TYR A 8 6.241 -0.016 10.769 1.00 0.00 C ATOM 104 CG TYR A 8 6.556 -0.430 9.331 1.00 0.00 C ATOM 105 CD1 TYR A 8 5.611 -1.104 8.584 1.00 0.00 C ATOM 106 CD2 TYR A 8 7.785 -0.131 8.780 1.00 0.00 C ATOM 107 CE1 TYR A 8 5.907 -1.494 7.230 1.00 0.00 C ATOM 108 CE2 TYR A 8 8.082 -0.521 7.426 1.00 0.00 C ATOM 109 CZ TYR A 8 7.128 -1.183 6.718 1.00 0.00 C ATOM 110 OH TYR A 8 7.408 -1.552 5.439 1.00 0.00 O ATOM 0 H TYR A 8 7.278 1.975 9.918 1.00 0.00 H new ATOM 0 HA TYR A 8 4.504 1.301 10.532 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.170 0.021 11.337 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.617 -0.782 11.228 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.649 -1.339 9.015 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.525 0.396 9.364 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.176 -2.021 6.635 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.040 -0.293 6.983 1.00 0.00 H new ATOM 0 HH TYR A 8 6.587 -1.857 4.999 1.00 0.00 H new ATOM 120 N ILE A 9 6.499 2.547 12.734 1.00 0.00 N ATOM 121 CA ILE A 9 6.598 3.025 14.103 1.00 0.00 C ATOM 122 C ILE A 9 5.212 3.449 14.592 1.00 0.00 C ATOM 123 O ILE A 9 4.862 3.222 15.749 1.00 0.00 O ATOM 124 CB ILE A 9 7.653 4.128 14.209 1.00 0.00 C ATOM 125 CG1 ILE A 9 8.163 4.261 15.646 1.00 0.00 C ATOM 126 CG2 ILE A 9 7.116 5.454 13.667 1.00 0.00 C ATOM 127 CD1 ILE A 9 9.261 3.236 15.935 1.00 0.00 C ATOM 0 H ILE A 9 7.243 2.868 12.115 1.00 0.00 H new ATOM 0 HA ILE A 9 6.938 2.227 14.763 1.00 0.00 H new ATOM 0 HB ILE A 9 8.504 3.848 13.589 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.549 5.268 15.807 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.337 4.121 16.343 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.886 6.221 13.754 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.840 5.334 12.619 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.239 5.753 14.241 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.606 3.352 16.962 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.865 2.230 15.797 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.096 3.395 15.252 1.00 0.00 H new ATOM 139 N ALA A 10 4.461 4.058 13.686 1.00 0.00 N ATOM 140 CA ALA A 10 3.121 4.516 14.011 1.00 0.00 C ATOM 141 C ALA A 10 2.219 3.306 14.259 1.00 0.00 C ATOM 142 O ALA A 10 1.600 3.194 15.317 1.00 0.00 O ATOM 143 CB ALA A 10 2.600 5.411 12.885 1.00 0.00 C ATOM 0 H ALA A 10 4.755 4.245 12.727 1.00 0.00 H new ATOM 0 HA ALA A 10 3.130 5.112 14.923 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.595 5.755 13.129 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.259 6.271 12.769 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.574 4.846 11.953 1.00 0.00 H new ATOM 149 N LEU A 11 2.172 2.429 13.266 1.00 0.00 N ATOM 150 CA LEU A 11 1.356 1.231 13.364 1.00 0.00 C ATOM 151 C LEU A 11 1.730 0.466 14.634 1.00 0.00 C ATOM 152 O LEU A 11 0.870 -0.128 15.282 1.00 0.00 O ATOM 153 CB LEU A 11 1.474 0.398 12.086 1.00 0.00 C ATOM 154 CG LEU A 11 1.258 1.151 10.772 1.00 0.00 C ATOM 155 CD1 LEU A 11 1.388 0.209 9.573 1.00 0.00 C ATOM 156 CD2 LEU A 11 -0.081 1.891 10.777 1.00 0.00 C ATOM 0 H LEU A 11 2.686 2.525 12.390 1.00 0.00 H new ATOM 0 HA LEU A 11 0.302 1.494 13.450 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.464 -0.057 12.063 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.751 -0.416 12.138 1.00 0.00 H new ATOM 0 HG LEU A 11 2.041 1.904 10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.230 0.769 8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.385 -0.232 9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.642 -0.582 9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.209 2.418 9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.892 1.174 10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.097 2.609 11.597 1.00 0.00 H new ATOM 168 N ILE A 12 3.016 0.505 14.953 1.00 0.00 N ATOM 169 CA ILE A 12 3.515 -0.178 16.134 1.00 0.00 C ATOM 170 C ILE A 12 3.072 0.585 17.384 1.00 0.00 C ATOM 171 O ILE A 12 2.710 -0.022 18.391 1.00 0.00 O ATOM 172 CB ILE A 12 5.029 -0.377 16.039 1.00 0.00 C ATOM 173 CG1 ILE A 12 5.366 -1.692 15.334 1.00 0.00 C ATOM 174 CG2 ILE A 12 5.682 -0.282 17.419 1.00 0.00 C ATOM 175 CD1 ILE A 12 5.026 -1.618 13.844 1.00 0.00 C ATOM 0 H ILE A 12 3.727 0.999 14.414 1.00 0.00 H new ATOM 0 HA ILE A 12 3.089 -1.179 16.203 1.00 0.00 H new ATOM 0 HB ILE A 12 5.442 0.428 15.432 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.426 -1.914 15.458 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.813 -2.509 15.797 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.758 -0.427 17.323 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.485 0.701 17.848 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.269 -1.052 18.071 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.275 -2.566 13.366 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.961 -1.420 13.723 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.599 -0.816 13.379 1.00 0.00 H new ATOM 187 N THR A 13 3.116 1.905 17.279 1.00 0.00 N ATOM 188 CA THR A 13 2.724 2.758 18.389 1.00 0.00 C ATOM 189 C THR A 13 1.331 2.373 18.890 1.00 0.00 C ATOM 190 O THR A 13 1.132 2.170 20.087 1.00 0.00 O ATOM 191 CB THR A 13 2.823 4.212 17.925 1.00 0.00 C ATOM 192 OG1 THR A 13 4.222 4.432 17.766 1.00 0.00 O ATOM 193 CG2 THR A 13 2.411 5.204 19.015 1.00 0.00 C ATOM 0 H THR A 13 3.417 2.405 16.443 1.00 0.00 H new ATOM 0 HA THR A 13 3.389 2.628 19.243 1.00 0.00 H new ATOM 0 HB THR A 13 2.194 4.356 17.047 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.453 4.393 16.814 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.500 6.221 18.634 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.378 5.015 19.308 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.061 5.083 19.881 1.00 0.00 H new ATOM 201 N MET A 14 0.402 2.284 17.949 1.00 0.00 N ATOM 202 CA MET A 14 -0.967 1.928 18.281 1.00 0.00 C ATOM 203 C MET A 14 -1.094 0.427 18.548 1.00 0.00 C ATOM 204 O MET A 14 -2.008 -0.009 19.246 1.00 0.00 O ATOM 205 CB MET A 14 -1.891 2.320 17.126 1.00 0.00 C ATOM 206 CG MET A 14 -1.621 1.459 15.891 1.00 0.00 C ATOM 207 SD MET A 14 -2.360 2.210 14.450 1.00 0.00 S ATOM 208 CE MET A 14 -3.674 1.044 14.132 1.00 0.00 C ATOM 0 H MET A 14 0.571 2.452 16.957 1.00 0.00 H new ATOM 0 HA MET A 14 -1.253 2.465 19.186 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.931 2.206 17.433 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.745 3.372 16.880 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.547 1.348 15.743 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.028 0.459 16.039 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.574 1.582 13.836 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.375 0.368 13.331 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.876 0.468 15.035 1.00 0.00 H new ATOM 218 N ALA A 15 -0.162 -0.324 17.979 1.00 0.00 N ATOM 219 CA ALA A 15 -0.157 -1.767 18.147 1.00 0.00 C ATOM 220 C ALA A 15 0.051 -2.103 19.625 1.00 0.00 C ATOM 221 O ALA A 15 -0.565 -3.031 20.147 1.00 0.00 O ATOM 222 CB ALA A 15 0.920 -2.382 17.251 1.00 0.00 C ATOM 0 H ALA A 15 0.595 0.040 17.401 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.114 -2.192 17.844 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.924 -3.465 17.377 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.709 -2.139 16.210 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.895 -1.981 17.527 1.00 0.00 H new ATOM 228 N ILE A 16 0.923 -1.331 20.257 1.00 0.00 N ATOM 229 CA ILE A 16 1.221 -1.536 21.664 1.00 0.00 C ATOM 230 C ILE A 16 0.159 -0.833 22.513 1.00 0.00 C ATOM 231 O ILE A 16 -0.259 -1.353 23.546 1.00 0.00 O ATOM 232 CB ILE A 16 2.651 -1.094 21.979 1.00 0.00 C ATOM 233 CG1 ILE A 16 3.639 -2.244 21.770 1.00 0.00 C ATOM 234 CG2 ILE A 16 2.746 -0.507 23.389 1.00 0.00 C ATOM 235 CD1 ILE A 16 3.720 -2.634 20.292 1.00 0.00 C ATOM 0 H ILE A 16 1.433 -0.563 19.820 1.00 0.00 H new ATOM 0 HA ILE A 16 1.178 -2.597 21.912 1.00 0.00 H new ATOM 0 HB ILE A 16 2.925 -0.303 21.281 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.626 -1.950 22.127 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.330 -3.106 22.361 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.773 -0.201 23.587 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.088 0.358 23.468 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.445 -1.260 24.118 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.429 -3.453 20.170 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.736 -2.950 19.945 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.053 -1.776 19.707 1.00 0.00 H new ATOM 247 N LEU A 17 -0.246 0.339 22.045 1.00 0.00 N ATOM 248 CA LEU A 17 -1.251 1.118 22.748 1.00 0.00 C ATOM 249 C LEU A 17 -2.587 0.374 22.709 1.00 0.00 C ATOM 250 O LEU A 17 -3.233 0.196 23.740 1.00 0.00 O ATOM 251 CB LEU A 17 -1.320 2.538 22.182 1.00 0.00 C ATOM 252 CG LEU A 17 -0.826 3.653 23.106 1.00 0.00 C ATOM 253 CD1 LEU A 17 0.604 3.381 23.578 1.00 0.00 C ATOM 254 CD2 LEU A 17 -0.957 5.021 22.433 1.00 0.00 C ATOM 0 H LEU A 17 0.104 0.768 21.188 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.980 1.231 23.798 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.736 2.570 21.262 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.354 2.750 21.910 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.460 3.668 23.992 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.931 4.189 24.233 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.634 2.437 24.122 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.267 3.323 22.715 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.599 5.796 23.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.363 5.035 21.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.003 5.208 22.189 1.00 0.00 H new ATOM 266 N GLN A 18 -2.962 -0.039 21.507 1.00 0.00 N ATOM 267 CA GLN A 18 -4.210 -0.760 21.320 1.00 0.00 C ATOM 268 C GLN A 18 -4.325 -1.897 22.337 1.00 0.00 C ATOM 269 O GLN A 18 -5.428 -2.292 22.710 1.00 0.00 O ATOM 270 CB GLN A 18 -4.327 -1.290 19.890 1.00 0.00 C ATOM 271 CG GLN A 18 -3.369 -2.461 19.659 1.00 0.00 C ATOM 272 CD GLN A 18 -4.107 -3.799 19.750 1.00 0.00 C ATOM 273 OE1 GLN A 18 -5.293 -3.866 20.027 1.00 0.00 O ATOM 274 NE2 GLN A 18 -3.340 -4.857 19.501 1.00 0.00 N ATOM 0 H GLN A 18 -2.424 0.112 20.654 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.035 -0.067 21.485 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.351 -1.611 19.700 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.107 -0.490 19.183 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.902 -2.365 18.679 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.568 -2.432 20.398 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.353 -4.730 19.275 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.738 -5.795 19.536 1.00 0.00 H new ATOM 283 N SER A 19 -3.169 -2.391 22.758 1.00 0.00 N ATOM 284 CA SER A 19 -3.126 -3.474 23.725 1.00 0.00 C ATOM 285 C SER A 19 -2.433 -3.005 25.006 1.00 0.00 C ATOM 286 O SER A 19 -1.297 -3.390 25.278 1.00 0.00 O ATOM 287 CB SER A 19 -2.409 -4.697 23.151 1.00 0.00 C ATOM 288 OG SER A 19 -1.338 -4.330 22.285 1.00 0.00 O ATOM 0 H SER A 19 -2.256 -2.061 22.447 1.00 0.00 H new ATOM 0 HA SER A 19 -4.150 -3.764 23.959 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.022 -5.307 23.967 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.123 -5.312 22.604 1.00 0.00 H new ATOM 0 HG SER A 19 -1.700 -4.036 21.423 1.00 0.00 H new ATOM 294 N PRO A 20 -3.165 -2.158 25.778 1.00 0.00 N ATOM 295 CA PRO A 20 -2.632 -1.632 27.024 1.00 0.00 C ATOM 296 C PRO A 20 -2.647 -2.699 28.120 1.00 0.00 C ATOM 297 O PRO A 20 -2.232 -2.440 29.249 1.00 0.00 O ATOM 298 CB PRO A 20 -3.508 -0.433 27.351 1.00 0.00 C ATOM 299 CG PRO A 20 -4.776 -0.607 26.532 1.00 0.00 C ATOM 300 CD PRO A 20 -4.513 -1.680 25.487 1.00 0.00 C ATOM 0 HA PRO A 20 -1.586 -1.335 26.942 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.734 -0.393 28.417 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.004 0.500 27.097 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -5.608 -0.895 27.174 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.053 0.332 26.053 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.243 -2.487 25.556 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.580 -1.275 24.477 1.00 0.00 H new ATOM 308 N GLN A 21 -3.129 -3.876 27.749 1.00 0.00 N ATOM 309 CA GLN A 21 -3.202 -4.984 28.687 1.00 0.00 C ATOM 310 C GLN A 21 -1.798 -5.490 29.022 1.00 0.00 C ATOM 311 O GLN A 21 -1.607 -6.186 30.018 1.00 0.00 O ATOM 312 CB GLN A 21 -4.075 -6.113 28.134 1.00 0.00 C ATOM 313 CG GLN A 21 -4.990 -6.680 29.221 1.00 0.00 C ATOM 314 CD GLN A 21 -5.835 -7.835 28.678 1.00 0.00 C ATOM 315 OE1 GLN A 21 -7.046 -7.748 28.557 1.00 0.00 O ATOM 316 NE2 GLN A 21 -5.131 -8.917 28.360 1.00 0.00 N ATOM 0 H GLN A 21 -3.473 -4.087 26.812 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.666 -4.627 29.606 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.677 -5.740 27.305 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.442 -6.906 27.736 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.390 -7.028 30.062 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.643 -5.893 29.599 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.119 -8.922 28.486 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.603 -9.742 27.989 1.00 0.00 H new ATOM 325 N LYS A 22 -0.852 -5.121 28.171 1.00 0.00 N ATOM 326 CA LYS A 22 0.529 -5.529 28.365 1.00 0.00 C ATOM 327 C LYS A 22 0.740 -6.912 27.745 1.00 0.00 C ATOM 328 O LYS A 22 0.925 -7.895 28.461 1.00 0.00 O ATOM 329 CB LYS A 22 0.908 -5.454 29.845 1.00 0.00 C ATOM 330 CG LYS A 22 2.423 -5.338 30.019 1.00 0.00 C ATOM 331 CD LYS A 22 2.840 -5.687 31.449 1.00 0.00 C ATOM 332 CE LYS A 22 4.299 -5.305 31.704 1.00 0.00 C ATOM 333 NZ LYS A 22 5.173 -6.495 31.592 1.00 0.00 N ATOM 0 H LYS A 22 -1.015 -4.544 27.346 1.00 0.00 H new ATOM 0 HA LYS A 22 1.204 -4.843 27.853 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.419 -4.596 30.306 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.546 -6.343 30.362 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.925 -6.004 29.317 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.743 -4.324 29.780 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.195 -5.166 32.157 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.705 -6.755 31.621 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.613 -4.547 30.987 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.398 -4.866 32.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.995 -6.382 32.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.640 -7.344 31.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.498 -6.595 30.609 1.00 0.00 H new ATOM 347 N LYS A 23 0.703 -6.944 26.421 1.00 0.00 N ATOM 348 CA LYS A 23 0.888 -8.190 25.697 1.00 0.00 C ATOM 349 C LYS A 23 0.777 -7.923 24.195 1.00 0.00 C ATOM 350 O LYS A 23 -0.188 -7.312 23.738 1.00 0.00 O ATOM 351 CB LYS A 23 -0.087 -9.254 26.206 1.00 0.00 C ATOM 352 CG LYS A 23 0.649 -10.338 26.997 1.00 0.00 C ATOM 353 CD LYS A 23 -0.328 -11.157 27.844 1.00 0.00 C ATOM 354 CE LYS A 23 0.359 -12.390 28.433 1.00 0.00 C ATOM 355 NZ LYS A 23 -0.407 -13.614 28.108 1.00 0.00 N ATOM 0 H LYS A 23 0.548 -6.127 25.831 1.00 0.00 H new ATOM 0 HA LYS A 23 1.885 -8.591 25.877 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.843 -8.787 26.838 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.611 -9.706 25.363 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.181 -10.996 26.310 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.398 -9.878 27.642 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.725 -10.538 28.649 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.175 -11.466 27.232 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.372 -12.472 28.039 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.445 -12.284 29.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.073 -14.442 28.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.365 -13.539 28.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.467 -13.722 27.075 1.00 0.00 H new ATOM 369 N LEU A 24 1.780 -8.394 23.467 1.00 0.00 N ATOM 370 CA LEU A 24 1.807 -8.213 22.026 1.00 0.00 C ATOM 371 C LEU A 24 2.021 -9.570 21.350 1.00 0.00 C ATOM 372 O LEU A 24 2.314 -10.560 22.018 1.00 0.00 O ATOM 373 CB LEU A 24 2.849 -7.162 21.637 1.00 0.00 C ATOM 374 CG LEU A 24 2.462 -5.705 21.900 1.00 0.00 C ATOM 375 CD1 LEU A 24 1.338 -5.259 20.964 1.00 0.00 C ATOM 376 CD2 LEU A 24 2.102 -5.491 23.372 1.00 0.00 C ATOM 0 H LEU A 24 2.579 -8.900 23.849 1.00 0.00 H new ATOM 0 HA LEU A 24 0.851 -7.827 21.673 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.771 -7.376 22.178 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.069 -7.273 20.575 1.00 0.00 H new ATOM 0 HG LEU A 24 3.327 -5.077 21.686 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.082 -4.220 21.172 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.668 -5.351 19.929 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.462 -5.887 21.123 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.831 -4.448 23.532 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.259 -6.130 23.637 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.959 -5.743 23.997 1.00 0.00 H new ATOM 388 N THR A 25 1.866 -9.571 20.035 1.00 0.00 N ATOM 389 CA THR A 25 2.038 -10.789 19.262 1.00 0.00 C ATOM 390 C THR A 25 2.400 -10.455 17.813 1.00 0.00 C ATOM 391 O THR A 25 1.527 -10.128 17.011 1.00 0.00 O ATOM 392 CB THR A 25 0.758 -11.617 19.393 1.00 0.00 C ATOM 393 OG1 THR A 25 -0.272 -10.734 18.955 1.00 0.00 O ATOM 394 CG2 THR A 25 0.400 -11.915 20.850 1.00 0.00 C ATOM 0 H THR A 25 1.623 -8.747 19.485 1.00 0.00 H new ATOM 0 HA THR A 25 2.868 -11.385 19.642 1.00 0.00 H new ATOM 0 HB THR A 25 0.874 -12.555 18.850 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.039 -10.230 18.174 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.516 -12.505 20.886 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.211 -12.475 21.317 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.250 -10.978 21.387 1.00 0.00 H new ATOM 402 N LEU A 26 3.689 -10.548 17.523 1.00 0.00 N ATOM 403 CA LEU A 26 4.178 -10.260 16.185 1.00 0.00 C ATOM 404 C LEU A 26 3.199 -10.829 15.156 1.00 0.00 C ATOM 405 O LEU A 26 2.919 -10.191 14.142 1.00 0.00 O ATOM 406 CB LEU A 26 5.611 -10.768 16.017 1.00 0.00 C ATOM 407 CG LEU A 26 5.983 -11.277 14.623 1.00 0.00 C ATOM 408 CD1 LEU A 26 6.883 -10.276 13.896 1.00 0.00 C ATOM 409 CD2 LEU A 26 6.617 -12.668 14.698 1.00 0.00 C ATOM 0 H LEU A 26 4.410 -10.819 18.192 1.00 0.00 H new ATOM 0 HA LEU A 26 4.225 -9.184 16.020 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.295 -9.962 16.282 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.776 -11.574 16.732 1.00 0.00 H new ATOM 0 HG LEU A 26 5.068 -11.371 14.039 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.133 -10.662 12.908 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.360 -9.325 13.793 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.798 -10.127 14.469 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.872 -13.006 13.694 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.520 -12.624 15.306 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.911 -13.366 15.148 1.00 0.00 H new ATOM 421 N SER A 27 2.706 -12.023 15.452 1.00 0.00 N ATOM 422 CA SER A 27 1.765 -12.685 14.565 1.00 0.00 C ATOM 423 C SER A 27 0.451 -11.903 14.519 1.00 0.00 C ATOM 424 O SER A 27 -0.041 -11.571 13.441 1.00 0.00 O ATOM 425 CB SER A 27 1.509 -14.126 15.010 1.00 0.00 C ATOM 426 OG SER A 27 0.346 -14.676 14.396 1.00 0.00 O ATOM 0 H SER A 27 2.941 -12.549 16.294 1.00 0.00 H new ATOM 0 HA SER A 27 2.199 -12.714 13.566 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.374 -14.741 14.763 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.395 -14.156 16.094 1.00 0.00 H new ATOM 0 HG SER A 27 0.347 -15.650 14.506 1.00 0.00 H new ATOM 432 N GLY A 28 -0.081 -11.631 15.702 1.00 0.00 N ATOM 433 CA GLY A 28 -1.329 -10.894 15.810 1.00 0.00 C ATOM 434 C GLY A 28 -1.163 -9.459 15.306 1.00 0.00 C ATOM 435 O GLY A 28 -2.112 -8.861 14.800 1.00 0.00 O ATOM 0 H GLY A 28 0.329 -11.908 16.594 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.105 -11.398 15.234 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.660 -10.883 16.848 1.00 0.00 H new ATOM 439 N ILE A 29 0.049 -8.947 15.462 1.00 0.00 N ATOM 440 CA ILE A 29 0.351 -7.593 15.029 1.00 0.00 C ATOM 441 C ILE A 29 0.368 -7.543 13.500 1.00 0.00 C ATOM 442 O ILE A 29 -0.313 -6.716 12.894 1.00 0.00 O ATOM 443 CB ILE A 29 1.647 -7.101 15.675 1.00 0.00 C ATOM 444 CG1 ILE A 29 1.354 -6.190 16.869 1.00 0.00 C ATOM 445 CG2 ILE A 29 2.550 -6.420 14.644 1.00 0.00 C ATOM 446 CD1 ILE A 29 0.613 -6.952 17.970 1.00 0.00 C ATOM 0 H ILE A 29 0.833 -9.445 15.882 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.425 -6.904 15.362 1.00 0.00 H new ATOM 0 HB ILE A 29 2.188 -7.967 16.056 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.288 -5.790 17.264 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.755 -5.339 16.544 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.465 -6.080 15.130 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.800 -7.129 13.855 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.029 -5.566 14.212 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.417 -6.282 18.807 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.331 -7.330 17.579 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.225 -7.787 18.310 1.00 0.00 H new ATOM 458 N CYS A 30 1.153 -8.438 12.919 1.00 0.00 N ATOM 459 CA CYS A 30 1.268 -8.506 11.472 1.00 0.00 C ATOM 460 C CYS A 30 -0.134 -8.687 10.887 1.00 0.00 C ATOM 461 O CYS A 30 -0.445 -8.139 9.831 1.00 0.00 O ATOM 462 CB CYS A 30 2.219 -9.622 11.032 1.00 0.00 C ATOM 463 SG CYS A 30 2.241 -9.741 9.206 1.00 0.00 S ATOM 0 H CYS A 30 1.716 -9.122 13.424 1.00 0.00 H new ATOM 0 HA CYS A 30 1.701 -7.580 11.095 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.224 -9.422 11.404 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.902 -10.572 11.463 1.00 0.00 H new ATOM 0 HG CYS A 30 2.072 -8.559 8.692 1.00 0.00 H new ATOM 469 N GLU A 31 -0.943 -9.458 11.599 1.00 0.00 N ATOM 470 CA GLU A 31 -2.304 -9.718 11.163 1.00 0.00 C ATOM 471 C GLU A 31 -3.168 -8.468 11.346 1.00 0.00 C ATOM 472 O GLU A 31 -3.967 -8.129 10.475 1.00 0.00 O ATOM 473 CB GLU A 31 -2.901 -10.911 11.912 1.00 0.00 C ATOM 474 CG GLU A 31 -3.482 -11.936 10.936 1.00 0.00 C ATOM 475 CD GLU A 31 -4.732 -12.600 11.518 1.00 0.00 C ATOM 476 OE1 GLU A 31 -4.556 -13.451 12.417 1.00 0.00 O ATOM 477 OE2 GLU A 31 -5.835 -12.242 11.052 1.00 0.00 O ATOM 0 H GLU A 31 -0.682 -9.911 12.475 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.283 -9.970 10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.132 -11.382 12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.682 -10.566 12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.731 -11.447 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.733 -12.696 10.712 1.00 0.00 H new ATOM 484 N PHE A 32 -2.977 -7.818 12.485 1.00 0.00 N ATOM 485 CA PHE A 32 -3.729 -6.613 12.793 1.00 0.00 C ATOM 486 C PHE A 32 -3.408 -5.497 11.797 1.00 0.00 C ATOM 487 O PHE A 32 -4.247 -4.637 11.531 1.00 0.00 O ATOM 488 CB PHE A 32 -3.304 -6.168 14.194 1.00 0.00 C ATOM 489 CG PHE A 32 -3.026 -4.668 14.312 1.00 0.00 C ATOM 490 CD1 PHE A 32 -4.038 -3.774 14.152 1.00 0.00 C ATOM 491 CD2 PHE A 32 -1.767 -4.229 14.578 1.00 0.00 C ATOM 492 CE1 PHE A 32 -3.780 -2.382 14.262 1.00 0.00 C ATOM 493 CE2 PHE A 32 -1.508 -2.837 14.688 1.00 0.00 C ATOM 494 CZ PHE A 32 -2.521 -1.943 14.528 1.00 0.00 C ATOM 0 H PHE A 32 -2.313 -8.103 13.205 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.798 -6.816 12.737 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.086 -6.439 14.903 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.408 -6.717 14.482 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.038 -4.123 13.941 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.963 -4.939 14.706 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.584 -1.672 14.134 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.508 -2.488 14.898 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.325 -0.884 14.612 1.00 0.00 H new ATOM 504 N ILE A 33 -2.192 -5.546 11.273 1.00 0.00 N ATOM 505 CA ILE A 33 -1.750 -4.550 10.312 1.00 0.00 C ATOM 506 C ILE A 33 -2.294 -4.907 8.927 1.00 0.00 C ATOM 507 O ILE A 33 -2.748 -4.033 8.190 1.00 0.00 O ATOM 508 CB ILE A 33 -0.228 -4.401 10.356 1.00 0.00 C ATOM 509 CG1 ILE A 33 0.231 -3.858 11.710 1.00 0.00 C ATOM 510 CG2 ILE A 33 0.273 -3.542 9.193 1.00 0.00 C ATOM 511 CD1 ILE A 33 -0.573 -2.617 12.104 1.00 0.00 C ATOM 0 H ILE A 33 -1.499 -6.260 11.496 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.150 -3.569 10.569 1.00 0.00 H new ATOM 0 HB ILE A 33 0.215 -5.390 10.239 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.115 -4.628 12.473 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.291 -3.610 11.666 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.358 -3.452 9.248 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.005 -4.010 8.249 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.177 -2.551 9.253 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.227 -2.251 13.071 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.436 -1.840 11.351 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.630 -2.874 12.171 1.00 0.00 H new ATOM 523 N SER A 34 -2.230 -6.193 8.615 1.00 0.00 N ATOM 524 CA SER A 34 -2.711 -6.676 7.332 1.00 0.00 C ATOM 525 C SER A 34 -4.189 -6.323 7.160 1.00 0.00 C ATOM 526 O SER A 34 -4.584 -5.772 6.133 1.00 0.00 O ATOM 527 CB SER A 34 -2.507 -8.187 7.201 1.00 0.00 C ATOM 528 OG SER A 34 -1.144 -8.560 7.380 1.00 0.00 O ATOM 0 H SER A 34 -1.852 -6.915 9.228 1.00 0.00 H new ATOM 0 HA SER A 34 -2.135 -6.189 6.545 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.123 -8.701 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.846 -8.515 6.218 1.00 0.00 H new ATOM 0 HG SER A 34 -0.983 -8.768 8.324 1.00 0.00 H new ATOM 534 N ASN A 35 -4.967 -6.653 8.180 1.00 0.00 N ATOM 535 CA ASN A 35 -6.393 -6.378 8.155 1.00 0.00 C ATOM 536 C ASN A 35 -6.614 -4.877 7.958 1.00 0.00 C ATOM 537 O ASN A 35 -7.520 -4.469 7.232 1.00 0.00 O ATOM 538 CB ASN A 35 -7.056 -6.785 9.472 1.00 0.00 C ATOM 539 CG ASN A 35 -8.025 -7.950 9.261 1.00 0.00 C ATOM 540 OD1 ASN A 35 -9.197 -7.772 8.971 1.00 0.00 O ATOM 541 ND2 ASN A 35 -7.472 -9.149 9.421 1.00 0.00 N ATOM 0 H ASN A 35 -4.636 -7.109 9.030 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.833 -6.951 7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.292 -7.069 10.195 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.591 -5.934 9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.036 -9.991 9.301 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.484 -9.227 9.664 1.00 0.00 H new ATOM 548 N ARG A 36 -5.771 -4.095 8.617 1.00 0.00 N ATOM 549 CA ARG A 36 -5.864 -2.648 8.523 1.00 0.00 C ATOM 550 C ARG A 36 -5.392 -2.174 7.147 1.00 0.00 C ATOM 551 O ARG A 36 -6.098 -1.433 6.466 1.00 0.00 O ATOM 552 CB ARG A 36 -5.020 -1.971 9.605 1.00 0.00 C ATOM 553 CG ARG A 36 -5.687 -2.093 10.977 1.00 0.00 C ATOM 554 CD ARG A 36 -6.990 -1.293 11.025 1.00 0.00 C ATOM 555 NE ARG A 36 -7.485 -1.215 12.418 1.00 0.00 N ATOM 556 CZ ARG A 36 -8.758 -0.959 12.750 1.00 0.00 C ATOM 557 NH1 ARG A 36 -9.672 -0.754 11.792 1.00 0.00 N ATOM 558 NH2 ARG A 36 -9.116 -0.908 14.040 1.00 0.00 N ATOM 0 H ARG A 36 -5.021 -4.436 9.218 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.909 -2.373 8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.030 -2.426 9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.880 -0.919 9.357 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.891 -3.141 11.194 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.007 -1.734 11.749 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.825 -0.290 10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.740 -1.765 10.390 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.815 -1.366 13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.399 -0.793 10.810 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.641 -0.559 12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.420 -1.064 14.769 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.085 -0.713 14.293 1.00 0.00 H new ATOM 572 N PHE A 37 -4.200 -2.621 6.780 1.00 0.00 N ATOM 573 CA PHE A 37 -3.625 -2.251 5.497 1.00 0.00 C ATOM 574 C PHE A 37 -3.377 -3.488 4.631 1.00 0.00 C ATOM 575 O PHE A 37 -2.454 -4.257 4.890 1.00 0.00 O ATOM 576 CB PHE A 37 -2.286 -1.570 5.787 1.00 0.00 C ATOM 577 CG PHE A 37 -2.375 -0.431 6.805 1.00 0.00 C ATOM 578 CD1 PHE A 37 -2.747 0.813 6.404 1.00 0.00 C ATOM 579 CD2 PHE A 37 -2.081 -0.665 8.113 1.00 0.00 C ATOM 580 CE1 PHE A 37 -2.830 1.870 7.349 1.00 0.00 C ATOM 581 CE2 PHE A 37 -2.164 0.392 9.058 1.00 0.00 C ATOM 582 CZ PHE A 37 -2.536 1.636 8.656 1.00 0.00 C ATOM 0 H PHE A 37 -3.617 -3.236 7.348 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.308 -1.594 4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.582 -2.317 6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.879 -1.179 4.854 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.980 0.998 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.785 -1.653 8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.126 2.858 7.030 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.931 0.207 10.096 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.598 2.439 9.375 1.00 0.00 H new ATOM 592 N PRO A 38 -4.241 -3.644 3.592 1.00 0.00 N ATOM 593 CA PRO A 38 -4.125 -4.774 2.686 1.00 0.00 C ATOM 594 C PRO A 38 -2.949 -4.588 1.725 1.00 0.00 C ATOM 595 O PRO A 38 -2.246 -5.545 1.406 1.00 0.00 O ATOM 596 CB PRO A 38 -5.467 -4.848 1.975 1.00 0.00 C ATOM 597 CG PRO A 38 -6.116 -3.486 2.167 1.00 0.00 C ATOM 598 CD PRO A 38 -5.347 -2.753 3.254 1.00 0.00 C ATOM 0 HA PRO A 38 -3.912 -5.709 3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.336 -5.073 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.088 -5.639 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.096 -2.919 1.236 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.163 -3.598 2.449 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.984 -1.788 2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.977 -2.558 4.122 1.00 0.00 H new ATOM 606 N TYR A 39 -2.773 -3.349 1.290 1.00 0.00 N ATOM 607 CA TYR A 39 -1.694 -3.025 0.372 1.00 0.00 C ATOM 608 C TYR A 39 -0.358 -3.568 0.881 1.00 0.00 C ATOM 609 O TYR A 39 0.444 -4.084 0.104 1.00 0.00 O ATOM 610 CB TYR A 39 -1.625 -1.497 0.325 1.00 0.00 C ATOM 611 CG TYR A 39 -2.601 -0.860 -0.667 1.00 0.00 C ATOM 612 CD1 TYR A 39 -2.814 -1.446 -1.898 1.00 0.00 C ATOM 613 CD2 TYR A 39 -3.267 0.301 -0.330 1.00 0.00 C ATOM 614 CE1 TYR A 39 -3.733 -0.846 -2.831 1.00 0.00 C ATOM 615 CE2 TYR A 39 -4.186 0.900 -1.263 1.00 0.00 C ATOM 616 CZ TYR A 39 -4.373 0.297 -2.467 1.00 0.00 C ATOM 617 OH TYR A 39 -5.240 0.864 -3.349 1.00 0.00 O ATOM 0 H TYR A 39 -3.359 -2.558 1.556 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.879 -3.466 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.827 -1.104 1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.610 -1.197 0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.292 -2.354 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.099 0.760 0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.910 -1.294 -3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.715 1.808 -1.012 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.625 1.674 -2.954 1.00 0.00 H new ATOM 627 N TYR A 40 -0.160 -3.435 2.185 1.00 0.00 N ATOM 628 CA TYR A 40 1.065 -3.907 2.807 1.00 0.00 C ATOM 629 C TYR A 40 1.160 -5.432 2.746 1.00 0.00 C ATOM 630 O TYR A 40 2.219 -5.981 2.444 1.00 0.00 O ATOM 631 CB TYR A 40 0.988 -3.471 4.272 1.00 0.00 C ATOM 632 CG TYR A 40 1.941 -2.330 4.633 1.00 0.00 C ATOM 633 CD1 TYR A 40 3.204 -2.284 4.078 1.00 0.00 C ATOM 634 CD2 TYR A 40 1.538 -1.346 5.512 1.00 0.00 C ATOM 635 CE1 TYR A 40 4.101 -1.209 4.418 1.00 0.00 C ATOM 636 CE2 TYR A 40 2.434 -0.272 5.852 1.00 0.00 C ATOM 637 CZ TYR A 40 3.672 -0.256 5.288 1.00 0.00 C ATOM 638 OH TYR A 40 4.519 0.759 5.608 1.00 0.00 O ATOM 0 H TYR A 40 -0.827 -3.007 2.827 1.00 0.00 H new ATOM 0 HA TYR A 40 1.937 -3.501 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.033 -3.162 4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.208 -4.329 4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.520 -3.054 3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.549 -1.382 5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.092 -1.161 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.130 0.504 6.539 1.00 0.00 H new ATOM 0 HH TYR A 40 5.265 0.408 6.138 1.00 0.00 H new ATOM 648 N ARG A 41 0.038 -6.075 3.036 1.00 0.00 N ATOM 649 CA ARG A 41 -0.019 -7.527 3.018 1.00 0.00 C ATOM 650 C ARG A 41 -0.185 -8.033 1.583 1.00 0.00 C ATOM 651 O ARG A 41 0.031 -9.212 1.309 1.00 0.00 O ATOM 652 CB ARG A 41 -1.179 -8.043 3.871 1.00 0.00 C ATOM 653 CG ARG A 41 -0.938 -9.490 4.307 1.00 0.00 C ATOM 654 CD ARG A 41 -2.182 -10.348 4.074 1.00 0.00 C ATOM 655 NE ARG A 41 -2.049 -11.100 2.806 1.00 0.00 N ATOM 656 CZ ARG A 41 -3.027 -11.836 2.262 1.00 0.00 C ATOM 657 NH1 ARG A 41 -4.217 -11.924 2.872 1.00 0.00 N ATOM 658 NH2 ARG A 41 -2.816 -12.484 1.108 1.00 0.00 N ATOM 0 H ARG A 41 -0.839 -5.617 3.285 1.00 0.00 H new ATOM 0 HA ARG A 41 0.917 -7.901 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.298 -7.410 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.108 -7.980 3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.097 -9.905 3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.667 -9.515 5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.317 -11.041 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.069 -9.715 4.040 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.156 -11.055 2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.378 -11.431 3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.962 -12.484 2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.910 -12.417 0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.561 -13.044 0.694 1.00 0.00 H new ATOM 672 N GLU A 42 -0.567 -7.116 0.706 1.00 0.00 N ATOM 673 CA GLU A 42 -0.764 -7.455 -0.693 1.00 0.00 C ATOM 674 C GLU A 42 0.586 -7.597 -1.400 1.00 0.00 C ATOM 675 O GLU A 42 0.817 -8.573 -2.112 1.00 0.00 O ATOM 676 CB GLU A 42 -1.641 -6.414 -1.391 1.00 0.00 C ATOM 677 CG GLU A 42 -2.973 -7.025 -1.830 1.00 0.00 C ATOM 678 CD GLU A 42 -2.999 -7.254 -3.343 1.00 0.00 C ATOM 679 OE1 GLU A 42 -2.897 -6.244 -4.072 1.00 0.00 O ATOM 680 OE2 GLU A 42 -3.119 -8.435 -3.736 1.00 0.00 O ATOM 0 H GLU A 42 -0.745 -6.139 0.937 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.282 -8.413 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.825 -5.578 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.116 -6.014 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.131 -7.971 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.792 -6.365 -1.544 1.00 0.00 H new ATOM 687 N LYS A 43 1.441 -6.610 -1.177 1.00 0.00 N ATOM 688 CA LYS A 43 2.761 -6.613 -1.784 1.00 0.00 C ATOM 689 C LYS A 43 3.819 -6.790 -0.693 1.00 0.00 C ATOM 690 O LYS A 43 4.933 -6.284 -0.815 1.00 0.00 O ATOM 691 CB LYS A 43 2.962 -5.359 -2.637 1.00 0.00 C ATOM 692 CG LYS A 43 3.829 -5.661 -3.861 1.00 0.00 C ATOM 693 CD LYS A 43 3.652 -4.587 -4.937 1.00 0.00 C ATOM 694 CE LYS A 43 2.858 -5.129 -6.127 1.00 0.00 C ATOM 695 NZ LYS A 43 3.647 -6.147 -6.856 1.00 0.00 N ATOM 0 H LYS A 43 1.246 -5.803 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 43 2.863 -7.455 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.994 -4.975 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.432 -4.579 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.877 -5.715 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.562 -6.636 -4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.137 -3.725 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.629 -4.241 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.922 -5.566 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.597 -4.312 -6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.300 -6.221 -7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.649 -5.869 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.547 -7.068 -6.383 1.00 0.00 H new ATOM 709 N PHE A 44 3.433 -7.511 0.350 1.00 0.00 N ATOM 710 CA PHE A 44 4.334 -7.761 1.462 1.00 0.00 C ATOM 711 C PHE A 44 5.791 -7.559 1.043 1.00 0.00 C ATOM 712 O PHE A 44 6.486 -8.520 0.718 1.00 0.00 O ATOM 713 CB PHE A 44 4.133 -9.219 1.881 1.00 0.00 C ATOM 714 CG PHE A 44 4.404 -9.483 3.363 1.00 0.00 C ATOM 715 CD1 PHE A 44 5.678 -9.453 3.838 1.00 0.00 C ATOM 716 CD2 PHE A 44 3.370 -9.749 4.206 1.00 0.00 C ATOM 717 CE1 PHE A 44 5.929 -9.698 5.214 1.00 0.00 C ATOM 718 CE2 PHE A 44 3.621 -9.995 5.582 1.00 0.00 C ATOM 719 CZ PHE A 44 4.895 -9.964 6.057 1.00 0.00 C ATOM 0 H PHE A 44 2.508 -7.930 0.448 1.00 0.00 H new ATOM 0 HA PHE A 44 4.120 -7.070 2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.109 -9.515 1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.789 -9.852 1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.499 -9.243 3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.358 -9.773 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.941 -9.673 5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.800 -10.207 6.251 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.086 -10.151 7.104 1.00 0.00 H new ATOM 729 N PRO A 45 6.222 -6.269 1.064 1.00 0.00 N ATOM 730 CA PRO A 45 7.584 -5.929 0.690 1.00 0.00 C ATOM 731 C PRO A 45 8.569 -6.313 1.797 1.00 0.00 C ATOM 732 O PRO A 45 9.509 -5.572 2.080 1.00 0.00 O ATOM 733 CB PRO A 45 7.555 -4.435 0.414 1.00 0.00 C ATOM 734 CG PRO A 45 6.297 -3.911 1.088 1.00 0.00 C ATOM 735 CD PRO A 45 5.427 -5.105 1.444 1.00 0.00 C ATOM 0 HA PRO A 45 7.928 -6.476 -0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.444 -3.947 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.536 -4.236 -0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.552 -3.344 1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.762 -3.233 0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.189 -5.118 2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.480 -5.079 0.905 1.00 0.00 H new ATOM 743 N ALA A 46 8.318 -7.469 2.393 1.00 0.00 N ATOM 744 CA ALA A 46 9.171 -7.960 3.462 1.00 0.00 C ATOM 745 C ALA A 46 9.195 -6.938 4.600 1.00 0.00 C ATOM 746 O ALA A 46 10.255 -6.428 4.959 1.00 0.00 O ATOM 747 CB ALA A 46 10.568 -8.250 2.910 1.00 0.00 C ATOM 0 H ALA A 46 7.536 -8.080 2.156 1.00 0.00 H new ATOM 0 HA ALA A 46 8.780 -8.894 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.207 -8.618 3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.500 -9.004 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.994 -7.335 2.498 1.00 0.00 H new ATOM 753 N TRP A 47 8.013 -6.668 5.136 1.00 0.00 N ATOM 754 CA TRP A 47 7.885 -5.716 6.225 1.00 0.00 C ATOM 755 C TRP A 47 7.887 -6.498 7.540 1.00 0.00 C ATOM 756 O TRP A 47 7.253 -6.088 8.511 1.00 0.00 O ATOM 757 CB TRP A 47 6.639 -4.846 6.049 1.00 0.00 C ATOM 758 CG TRP A 47 5.365 -5.637 5.748 1.00 0.00 C ATOM 759 CD1 TRP A 47 5.065 -6.327 4.638 1.00 0.00 C ATOM 760 CD2 TRP A 47 4.223 -5.793 6.617 1.00 0.00 C ATOM 761 NE1 TRP A 47 3.819 -6.914 4.729 1.00 0.00 N ATOM 762 CE2 TRP A 47 3.291 -6.579 5.970 1.00 0.00 C ATOM 763 CE3 TRP A 47 3.986 -5.287 7.907 1.00 0.00 C ATOM 764 CZ2 TRP A 47 2.059 -6.929 6.536 1.00 0.00 C ATOM 765 CZ3 TRP A 47 2.750 -5.646 8.458 1.00 0.00 C ATOM 766 CH2 TRP A 47 1.801 -6.436 7.820 1.00 0.00 C ATOM 0 H TRP A 47 7.136 -7.093 4.836 1.00 0.00 H new ATOM 0 HA TRP A 47 8.726 -5.022 6.231 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.486 -4.261 6.956 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.814 -4.138 5.239 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.716 -6.413 3.781 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.369 -7.488 4.016 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.701 -4.670 8.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.346 -7.546 6.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.518 -5.284 9.448 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.869 -6.668 8.313 1.00 0.00 H new ATOM 777 N GLN A 48 8.606 -7.611 7.528 1.00 0.00 N ATOM 778 CA GLN A 48 8.699 -8.454 8.708 1.00 0.00 C ATOM 779 C GLN A 48 9.615 -7.810 9.751 1.00 0.00 C ATOM 780 O GLN A 48 9.167 -7.455 10.840 1.00 0.00 O ATOM 781 CB GLN A 48 9.187 -9.857 8.341 1.00 0.00 C ATOM 782 CG GLN A 48 9.837 -10.543 9.544 1.00 0.00 C ATOM 783 CD GLN A 48 10.760 -11.678 9.096 1.00 0.00 C ATOM 784 OE1 GLN A 48 11.801 -11.467 8.496 1.00 0.00 O ATOM 785 NE2 GLN A 48 10.321 -12.892 9.419 1.00 0.00 N ATOM 0 H GLN A 48 9.129 -7.948 6.720 1.00 0.00 H new ATOM 0 HA GLN A 48 7.703 -8.552 9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.349 -10.456 7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.904 -9.794 7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.406 -9.813 10.120 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.064 -10.937 10.204 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.440 -12.999 9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.865 -13.716 9.163 1.00 0.00 H new ATOM 794 N ASN A 49 10.880 -7.679 9.380 1.00 0.00 N ATOM 795 CA ASN A 49 11.863 -7.084 10.269 1.00 0.00 C ATOM 796 C ASN A 49 11.596 -5.582 10.385 1.00 0.00 C ATOM 797 O ASN A 49 12.009 -4.947 11.354 1.00 0.00 O ATOM 798 CB ASN A 49 13.281 -7.273 9.728 1.00 0.00 C ATOM 799 CG ASN A 49 13.385 -8.553 8.897 1.00 0.00 C ATOM 800 OD1 ASN A 49 13.792 -8.354 7.646 1.00 0.00 O flip ATOM 801 ND2 ASN A 49 13.114 -9.648 9.360 1.00 0.00 N flip ATOM 0 H ASN A 49 11.247 -7.975 8.475 1.00 0.00 H new ATOM 0 HA ASN A 49 11.780 -7.573 11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 49 13.558 -6.415 9.116 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.988 -7.315 10.557 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.807 -9.730 10.329 1.00 0.00 H new ATOM 0 HD22 ASN A 49 13.194 -10.482 8.778 1.00 0.00 H new ATOM 808 N SER A 50 10.908 -5.057 9.382 1.00 0.00 N ATOM 809 CA SER A 50 10.582 -3.641 9.359 1.00 0.00 C ATOM 810 C SER A 50 9.769 -3.271 10.601 1.00 0.00 C ATOM 811 O SER A 50 10.181 -2.418 11.385 1.00 0.00 O ATOM 812 CB SER A 50 9.809 -3.275 8.090 1.00 0.00 C ATOM 813 OG SER A 50 10.539 -2.375 7.261 1.00 0.00 O ATOM 0 H SER A 50 10.567 -5.586 8.579 1.00 0.00 H new ATOM 0 HA SER A 50 11.514 -3.075 9.361 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.583 -4.182 7.529 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.856 -2.823 8.364 1.00 0.00 H new ATOM 0 HG SER A 50 10.003 -1.570 7.100 1.00 0.00 H new ATOM 819 N ILE A 51 8.628 -3.930 10.741 1.00 0.00 N ATOM 820 CA ILE A 51 7.754 -3.681 11.874 1.00 0.00 C ATOM 821 C ILE A 51 8.430 -4.178 13.153 1.00 0.00 C ATOM 822 O ILE A 51 8.459 -3.471 14.159 1.00 0.00 O ATOM 823 CB ILE A 51 6.373 -4.294 11.630 1.00 0.00 C ATOM 824 CG1 ILE A 51 6.454 -5.820 11.565 1.00 0.00 C ATOM 825 CG2 ILE A 51 5.723 -3.700 10.379 1.00 0.00 C ATOM 826 CD1 ILE A 51 5.058 -6.440 11.470 1.00 0.00 C ATOM 0 H ILE A 51 8.289 -4.636 10.088 1.00 0.00 H new ATOM 0 HA ILE A 51 7.585 -2.611 11.997 1.00 0.00 H new ATOM 0 HB ILE A 51 5.733 -4.042 12.476 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.048 -6.120 10.702 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.964 -6.199 12.451 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.743 -4.153 10.228 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.610 -2.623 10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.352 -3.900 9.512 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.144 -7.526 11.425 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.474 -6.158 12.346 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.560 -6.078 10.571 1.00 0.00 H new ATOM 838 N ARG A 52 8.957 -5.391 13.073 1.00 0.00 N ATOM 839 CA ARG A 52 9.631 -5.991 14.212 1.00 0.00 C ATOM 840 C ARG A 52 10.744 -5.070 14.716 1.00 0.00 C ATOM 841 O ARG A 52 11.019 -5.020 15.914 1.00 0.00 O ATOM 842 CB ARG A 52 10.231 -7.350 13.844 1.00 0.00 C ATOM 843 CG ARG A 52 11.736 -7.377 14.117 1.00 0.00 C ATOM 844 CD ARG A 52 12.020 -7.429 15.619 1.00 0.00 C ATOM 845 NE ARG A 52 13.199 -6.594 15.941 1.00 0.00 N ATOM 846 CZ ARG A 52 14.016 -6.816 16.980 1.00 0.00 C ATOM 847 NH1 ARG A 52 13.787 -7.847 17.804 1.00 0.00 N ATOM 848 NH2 ARG A 52 15.062 -6.006 17.195 1.00 0.00 N ATOM 0 H ARG A 52 8.931 -5.975 12.237 1.00 0.00 H new ATOM 0 HA ARG A 52 8.889 -6.134 14.998 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.740 -8.136 14.418 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.045 -7.560 12.791 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.182 -8.243 13.629 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.203 -6.492 13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.151 -7.075 16.174 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.198 -8.459 15.928 1.00 0.00 H new ATOM 0 HE ARG A 52 13.402 -5.800 15.334 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.991 -8.463 17.641 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.409 -8.016 18.595 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.236 -5.221 16.568 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.684 -6.175 17.986 1.00 0.00 H new ATOM 862 N HIS A 53 11.354 -4.363 13.776 1.00 0.00 N ATOM 863 CA HIS A 53 12.431 -3.446 14.109 1.00 0.00 C ATOM 864 C HIS A 53 11.869 -2.257 14.892 1.00 0.00 C ATOM 865 O HIS A 53 12.342 -1.949 15.984 1.00 0.00 O ATOM 866 CB HIS A 53 13.192 -3.021 12.852 1.00 0.00 C ATOM 867 CG HIS A 53 14.066 -1.805 13.045 1.00 0.00 C ATOM 868 ND1 HIS A 53 13.600 -0.513 12.876 1.00 0.00 N ATOM 869 CD2 HIS A 53 15.380 -1.697 13.394 1.00 0.00 C ATOM 870 CE1 HIS A 53 14.597 0.326 13.115 1.00 0.00 C ATOM 871 NE2 HIS A 53 15.700 -0.410 13.435 1.00 0.00 N ATOM 0 H HIS A 53 11.123 -4.407 12.784 1.00 0.00 H new ATOM 0 HA HIS A 53 13.156 -3.949 14.749 1.00 0.00 H new ATOM 0 HB2 HIS A 53 13.812 -3.852 12.517 1.00 0.00 H new ATOM 0 HB3 HIS A 53 12.475 -2.818 12.057 1.00 0.00 H new ATOM 0 HD1 HIS A 53 12.650 -0.251 12.612 1.00 0.00 H new ATOM 0 HD2 HIS A 53 16.047 -2.520 13.602 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.546 1.404 13.065 1.00 0.00 H new ATOM 879 N ASN A 54 10.866 -1.623 14.302 1.00 0.00 N ATOM 880 CA ASN A 54 10.235 -0.475 14.931 1.00 0.00 C ATOM 881 C ASN A 54 9.470 -0.936 16.173 1.00 0.00 C ATOM 882 O ASN A 54 9.045 -0.115 16.984 1.00 0.00 O ATOM 883 CB ASN A 54 9.237 0.193 13.982 1.00 0.00 C ATOM 884 CG ASN A 54 9.948 1.150 13.024 1.00 0.00 C ATOM 885 OD1 ASN A 54 10.659 2.057 13.425 1.00 0.00 O ATOM 886 ND2 ASN A 54 9.717 0.900 11.738 1.00 0.00 N ATOM 0 H ASN A 54 10.475 -1.882 13.396 1.00 0.00 H new ATOM 0 HA ASN A 54 11.017 0.238 15.193 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.705 -0.569 13.412 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.490 0.738 14.559 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.146 1.484 11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.111 0.124 11.470 1.00 0.00 H new ATOM 893 N LEU A 55 9.318 -2.247 16.283 1.00 0.00 N ATOM 894 CA LEU A 55 8.612 -2.827 17.413 1.00 0.00 C ATOM 895 C LEU A 55 9.574 -2.960 18.595 1.00 0.00 C ATOM 896 O LEU A 55 9.313 -2.430 19.674 1.00 0.00 O ATOM 897 CB LEU A 55 7.947 -4.144 17.010 1.00 0.00 C ATOM 898 CG LEU A 55 6.764 -4.590 17.873 1.00 0.00 C ATOM 899 CD1 LEU A 55 5.808 -3.425 18.136 1.00 0.00 C ATOM 900 CD2 LEU A 55 6.048 -5.788 17.245 1.00 0.00 C ATOM 0 H LEU A 55 9.672 -2.925 15.608 1.00 0.00 H new ATOM 0 HA LEU A 55 7.801 -2.172 17.733 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.606 -4.055 15.979 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.702 -4.930 17.029 1.00 0.00 H new ATOM 0 HG LEU A 55 7.149 -4.915 18.839 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.976 -3.769 18.751 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.340 -2.628 18.657 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.426 -3.047 17.188 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.212 -6.085 17.878 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.676 -5.513 16.258 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.745 -6.620 17.151 1.00 0.00 H new ATOM 912 N SER A 56 10.665 -3.671 18.353 1.00 0.00 N ATOM 913 CA SER A 56 11.666 -3.880 19.384 1.00 0.00 C ATOM 914 C SER A 56 12.595 -2.667 19.466 1.00 0.00 C ATOM 915 O SER A 56 12.827 -2.130 20.548 1.00 0.00 O ATOM 916 CB SER A 56 12.475 -5.151 19.117 1.00 0.00 C ATOM 917 OG SER A 56 13.805 -5.053 19.619 1.00 0.00 O ATOM 0 H SER A 56 10.878 -4.110 17.457 1.00 0.00 H new ATOM 0 HA SER A 56 11.153 -4.002 20.338 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.975 -6.002 19.579 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.506 -5.343 18.044 1.00 0.00 H new ATOM 0 HG SER A 56 14.182 -5.952 19.725 1.00 0.00 H new ATOM 923 N LEU A 57 13.102 -2.271 18.308 1.00 0.00 N ATOM 924 CA LEU A 57 14.000 -1.131 18.235 1.00 0.00 C ATOM 925 C LEU A 57 13.198 0.158 18.424 1.00 0.00 C ATOM 926 O LEU A 57 12.948 0.884 17.464 1.00 0.00 O ATOM 927 CB LEU A 57 14.808 -1.168 16.936 1.00 0.00 C ATOM 928 CG LEU A 57 16.325 -1.285 17.092 1.00 0.00 C ATOM 929 CD1 LEU A 57 16.822 -2.650 16.612 1.00 0.00 C ATOM 930 CD2 LEU A 57 17.040 -0.133 16.383 1.00 0.00 C ATOM 0 H LEU A 57 12.908 -2.719 17.413 1.00 0.00 H new ATOM 0 HA LEU A 57 14.733 -1.171 19.041 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.458 -2.010 16.338 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.590 -0.262 16.370 1.00 0.00 H new ATOM 0 HG LEU A 57 16.566 -1.209 18.152 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.904 -2.707 16.734 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.349 -3.437 17.200 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.568 -2.780 15.560 1.00 0.00 H new ATOM 0 HD21 LEU A 57 18.117 -0.240 16.510 1.00 0.00 H new ATOM 0 HD22 LEU A 57 16.796 -0.152 15.321 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.717 0.815 16.813 1.00 0.00 H new ATOM 942 N ASN A 58 12.817 0.402 19.670 1.00 0.00 N ATOM 943 CA ASN A 58 12.049 1.591 19.997 1.00 0.00 C ATOM 944 C ASN A 58 11.311 1.368 21.319 1.00 0.00 C ATOM 945 O ASN A 58 11.348 2.220 22.206 1.00 0.00 O ATOM 946 CB ASN A 58 11.005 1.887 18.918 1.00 0.00 C ATOM 947 CG ASN A 58 11.302 3.215 18.218 1.00 0.00 C ATOM 948 OD1 ASN A 58 10.460 4.091 18.111 1.00 0.00 O ATOM 949 ND2 ASN A 58 12.542 3.313 17.749 1.00 0.00 N ATOM 0 H ASN A 58 13.026 -0.203 20.464 1.00 0.00 H new ATOM 0 HA ASN A 58 12.741 2.430 20.069 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.995 1.080 18.185 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.012 1.922 19.367 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.839 4.160 17.265 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.197 2.541 17.873 1.00 0.00 H new ATOM 956 N ASP A 59 10.659 0.218 21.410 1.00 0.00 N ATOM 957 CA ASP A 59 9.915 -0.128 22.609 1.00 0.00 C ATOM 958 C ASP A 59 10.881 -0.663 23.667 1.00 0.00 C ATOM 959 O ASP A 59 10.797 -0.288 24.836 1.00 0.00 O ATOM 960 CB ASP A 59 8.880 -1.217 22.319 1.00 0.00 C ATOM 961 CG ASP A 59 7.866 -0.871 21.227 1.00 0.00 C ATOM 962 OD1 ASP A 59 8.310 -0.333 20.190 1.00 0.00 O ATOM 963 OD2 ASP A 59 6.669 -1.153 21.454 1.00 0.00 O ATOM 0 H ASP A 59 10.631 -0.486 20.673 1.00 0.00 H new ATOM 0 HA ASP A 59 9.406 0.769 22.961 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.404 -2.128 22.031 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.339 -1.438 23.239 1.00 0.00 H new ATOM 968 N CYS A 60 11.776 -1.531 23.220 1.00 0.00 N ATOM 969 CA CYS A 60 12.757 -2.122 24.114 1.00 0.00 C ATOM 970 C CYS A 60 12.019 -3.011 25.117 1.00 0.00 C ATOM 971 O CYS A 60 12.076 -2.772 26.323 1.00 0.00 O ATOM 972 CB CYS A 60 13.603 -1.054 24.812 1.00 0.00 C ATOM 973 SG CYS A 60 14.904 -0.447 23.678 1.00 0.00 S ATOM 0 H CYS A 60 11.843 -1.839 22.250 1.00 0.00 H new ATOM 0 HA CYS A 60 13.457 -2.728 23.539 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.969 -0.226 25.128 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.058 -1.469 25.712 1.00 0.00 H new ATOM 0 HG CYS A 60 15.615 0.460 24.279 1.00 0.00 H new ATOM 979 N PHE A 61 11.344 -4.018 24.583 1.00 0.00 N ATOM 980 CA PHE A 61 10.596 -4.943 25.416 1.00 0.00 C ATOM 981 C PHE A 61 11.134 -6.368 25.272 1.00 0.00 C ATOM 982 O PHE A 61 12.274 -6.566 24.854 1.00 0.00 O ATOM 983 CB PHE A 61 9.145 -4.907 24.933 1.00 0.00 C ATOM 984 CG PHE A 61 8.996 -4.880 23.410 1.00 0.00 C ATOM 985 CD1 PHE A 61 9.804 -5.651 22.635 1.00 0.00 C ATOM 986 CD2 PHE A 61 8.056 -4.085 22.833 1.00 0.00 C ATOM 987 CE1 PHE A 61 9.666 -5.626 21.222 1.00 0.00 C ATOM 988 CE2 PHE A 61 7.918 -4.060 21.420 1.00 0.00 C ATOM 989 CZ PHE A 61 8.726 -4.831 20.644 1.00 0.00 C ATOM 0 H PHE A 61 11.300 -4.213 23.583 1.00 0.00 H new ATOM 0 HA PHE A 61 10.683 -4.654 26.463 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.621 -5.779 25.324 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.655 -4.028 25.351 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.551 -6.282 23.094 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.414 -3.473 23.449 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.308 -6.239 20.606 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.171 -3.429 20.961 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.621 -4.812 19.569 1.00 0.00 H new ATOM 999 N VAL A 62 10.287 -7.325 25.625 1.00 0.00 N ATOM 1000 CA VAL A 62 10.663 -8.726 25.540 1.00 0.00 C ATOM 1001 C VAL A 62 9.707 -9.449 24.590 1.00 0.00 C ATOM 1002 O VAL A 62 8.541 -9.075 24.473 1.00 0.00 O ATOM 1003 CB VAL A 62 10.697 -9.344 26.940 1.00 0.00 C ATOM 1004 CG1 VAL A 62 11.398 -10.704 26.921 1.00 0.00 C ATOM 1005 CG2 VAL A 62 11.362 -8.398 27.941 1.00 0.00 C ATOM 0 H VAL A 62 9.342 -7.157 25.970 1.00 0.00 H new ATOM 0 HA VAL A 62 11.668 -8.828 25.130 1.00 0.00 H new ATOM 0 HB VAL A 62 9.668 -9.502 27.262 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.409 -11.122 27.928 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.863 -11.380 26.253 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.422 -10.581 26.568 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.373 -8.861 28.928 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.385 -8.194 27.624 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.803 -7.464 27.985 1.00 0.00 H new ATOM 1015 N LYS A 63 10.236 -10.472 23.935 1.00 0.00 N ATOM 1016 CA LYS A 63 9.444 -11.252 22.999 1.00 0.00 C ATOM 1017 C LYS A 63 9.739 -12.739 23.202 1.00 0.00 C ATOM 1018 O LYS A 63 10.672 -13.098 23.919 1.00 0.00 O ATOM 1019 CB LYS A 63 9.679 -10.768 21.567 1.00 0.00 C ATOM 1020 CG LYS A 63 10.073 -9.290 21.545 1.00 0.00 C ATOM 1021 CD LYS A 63 10.910 -8.964 20.306 1.00 0.00 C ATOM 1022 CE LYS A 63 12.392 -8.837 20.663 1.00 0.00 C ATOM 1023 NZ LYS A 63 12.605 -7.712 21.601 1.00 0.00 N ATOM 0 H LYS A 63 11.204 -10.779 24.034 1.00 0.00 H new ATOM 0 HA LYS A 63 8.380 -11.110 23.189 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.464 -11.364 21.102 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.775 -10.916 20.976 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.176 -8.671 21.556 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.639 -9.047 22.445 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.778 -9.746 19.558 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.559 -8.034 19.860 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.744 -9.765 21.113 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.978 -8.679 19.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.395 -7.125 21.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.742 -7.134 21.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.828 -8.085 22.546 1.00 0.00 H new ATOM 1037 N ILE A 64 8.926 -13.564 22.559 1.00 0.00 N ATOM 1038 CA ILE A 64 9.089 -15.005 22.660 1.00 0.00 C ATOM 1039 C ILE A 64 9.391 -15.578 21.274 1.00 0.00 C ATOM 1040 O ILE A 64 8.683 -15.288 20.311 1.00 0.00 O ATOM 1041 CB ILE A 64 7.869 -15.635 23.334 1.00 0.00 C ATOM 1042 CG1 ILE A 64 8.236 -16.961 24.003 1.00 0.00 C ATOM 1043 CG2 ILE A 64 6.715 -15.794 22.342 1.00 0.00 C ATOM 1044 CD1 ILE A 64 6.993 -17.660 24.556 1.00 0.00 C ATOM 0 H ILE A 64 8.153 -13.263 21.966 1.00 0.00 H new ATOM 0 HA ILE A 64 9.939 -15.249 23.298 1.00 0.00 H new ATOM 0 HB ILE A 64 7.527 -14.961 24.120 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.732 -17.611 23.282 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.945 -16.781 24.811 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.860 -16.244 22.847 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.432 -14.816 21.953 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.029 -16.435 21.518 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.283 -18.600 25.026 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.513 -17.018 25.294 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.296 -17.861 23.742 1.00 0.00 H new ATOM 1056 N PRO A 65 10.471 -16.402 21.216 1.00 0.00 N ATOM 1057 CA PRO A 65 10.875 -17.019 19.964 1.00 0.00 C ATOM 1058 C PRO A 65 9.935 -18.167 19.589 1.00 0.00 C ATOM 1059 O PRO A 65 8.903 -18.363 20.229 1.00 0.00 O ATOM 1060 CB PRO A 65 12.307 -17.474 20.193 1.00 0.00 C ATOM 1061 CG PRO A 65 12.494 -17.516 21.701 1.00 0.00 C ATOM 1062 CD PRO A 65 11.333 -16.768 22.336 1.00 0.00 C ATOM 0 HA PRO A 65 10.820 -16.332 19.120 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.481 -18.455 19.750 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.014 -16.786 19.731 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.522 -18.547 22.054 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.442 -17.057 21.981 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.804 -17.394 23.055 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.678 -15.886 22.875 1.00 0.00 H new ATOM 1070 N ARG A 66 10.326 -18.896 18.554 1.00 0.00 N ATOM 1071 CA ARG A 66 9.531 -20.019 18.087 1.00 0.00 C ATOM 1072 C ARG A 66 9.069 -20.871 19.271 1.00 0.00 C ATOM 1073 O ARG A 66 9.888 -21.474 19.963 1.00 0.00 O ATOM 1074 CB ARG A 66 10.330 -20.894 17.119 1.00 0.00 C ATOM 1075 CG ARG A 66 11.701 -21.246 17.701 1.00 0.00 C ATOM 1076 CD ARG A 66 12.780 -20.300 17.172 1.00 0.00 C ATOM 1077 NE ARG A 66 13.631 -19.828 18.288 1.00 0.00 N ATOM 1078 CZ ARG A 66 14.361 -18.705 18.253 1.00 0.00 C ATOM 1079 NH1 ARG A 66 14.349 -17.931 17.159 1.00 0.00 N ATOM 1080 NH2 ARG A 66 15.103 -18.355 19.313 1.00 0.00 N ATOM 0 H ARG A 66 11.183 -18.731 18.026 1.00 0.00 H new ATOM 0 HA ARG A 66 8.663 -19.617 17.564 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.775 -21.808 16.907 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.457 -20.371 16.171 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.664 -21.189 18.789 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.956 -22.274 17.444 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.391 -20.812 16.429 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.316 -19.449 16.672 1.00 0.00 H new ATOM 0 HE ARG A 66 13.664 -20.393 19.137 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.784 -18.197 16.352 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.905 -17.076 17.133 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.112 -18.944 20.146 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.659 -17.500 19.287 1.00 0.00 H new ATOM 1094 N GLU A 67 7.759 -20.894 19.467 1.00 0.00 N ATOM 1095 CA GLU A 67 7.178 -21.662 20.555 1.00 0.00 C ATOM 1096 C GLU A 67 6.858 -23.084 20.089 1.00 0.00 C ATOM 1097 O GLU A 67 6.398 -23.284 18.966 1.00 0.00 O ATOM 1098 CB GLU A 67 5.930 -20.972 21.108 1.00 0.00 C ATOM 1099 CG GLU A 67 6.003 -20.846 22.631 1.00 0.00 C ATOM 1100 CD GLU A 67 4.788 -21.500 23.294 1.00 0.00 C ATOM 1101 OE1 GLU A 67 3.737 -21.558 22.620 1.00 0.00 O ATOM 1102 OE2 GLU A 67 4.939 -21.927 24.459 1.00 0.00 O ATOM 0 H GLU A 67 7.083 -20.393 18.890 1.00 0.00 H new ATOM 0 HA GLU A 67 7.908 -21.721 21.363 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.829 -19.983 20.662 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.042 -21.539 20.829 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.917 -21.315 22.995 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.052 -19.794 22.911 1.00 0.00 H new ATOM 1109 N PRO A 68 7.119 -24.060 20.999 1.00 0.00 N ATOM 1110 CA PRO A 68 6.864 -25.457 20.693 1.00 0.00 C ATOM 1111 C PRO A 68 5.366 -25.764 20.743 1.00 0.00 C ATOM 1112 O PRO A 68 4.915 -26.768 20.193 1.00 0.00 O ATOM 1113 CB PRO A 68 7.665 -26.238 21.722 1.00 0.00 C ATOM 1114 CG PRO A 68 7.964 -25.261 22.846 1.00 0.00 C ATOM 1115 CD PRO A 68 7.664 -23.860 22.339 1.00 0.00 C ATOM 0 HA PRO A 68 7.168 -25.729 19.682 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.099 -27.094 22.089 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.586 -26.627 21.287 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.355 -25.488 23.721 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.007 -25.340 23.153 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.950 -23.350 22.985 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.565 -23.247 22.313 1.00 0.00 H new ATOM 1123 N GLY A 69 4.635 -24.880 21.407 1.00 0.00 N ATOM 1124 CA GLY A 69 3.197 -25.044 21.536 1.00 0.00 C ATOM 1125 C GLY A 69 2.517 -25.022 20.165 1.00 0.00 C ATOM 1126 O GLY A 69 1.839 -25.977 19.789 1.00 0.00 O ATOM 0 H GLY A 69 5.012 -24.048 21.861 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.979 -25.986 22.039 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.791 -24.248 22.160 1.00 0.00 H new ATOM 1130 N ASN A 70 2.723 -23.921 19.457 1.00 0.00 N ATOM 1131 CA ASN A 70 2.138 -23.762 18.136 1.00 0.00 C ATOM 1132 C ASN A 70 3.155 -23.091 17.211 1.00 0.00 C ATOM 1133 O ASN A 70 3.524 -21.936 17.421 1.00 0.00 O ATOM 1134 CB ASN A 70 0.891 -22.877 18.189 1.00 0.00 C ATOM 1135 CG ASN A 70 0.551 -22.494 19.630 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -0.367 -23.019 20.239 1.00 0.00 O ATOM 1137 ND2 ASN A 70 1.339 -21.552 20.140 1.00 0.00 N ATOM 0 H ASN A 70 3.286 -23.131 19.773 1.00 0.00 H new ATOM 0 HA ASN A 70 1.863 -24.750 17.767 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.055 -21.976 17.599 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.048 -23.403 17.740 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.193 -21.227 21.096 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.090 -21.154 19.575 1.00 0.00 H new ATOM 1144 N PRO A 71 3.591 -23.863 16.179 1.00 0.00 N ATOM 1145 CA PRO A 71 4.558 -23.355 15.221 1.00 0.00 C ATOM 1146 C PRO A 71 3.904 -22.369 14.252 1.00 0.00 C ATOM 1147 O PRO A 71 3.823 -21.175 14.536 1.00 0.00 O ATOM 1148 CB PRO A 71 5.112 -24.590 14.529 1.00 0.00 C ATOM 1149 CG PRO A 71 4.108 -25.700 14.792 1.00 0.00 C ATOM 1150 CD PRO A 71 3.177 -25.234 15.899 1.00 0.00 C ATOM 0 HA PRO A 71 5.359 -22.786 15.693 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.232 -24.418 13.459 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.095 -24.851 14.922 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.543 -25.926 13.888 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.620 -26.617 15.085 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.135 -25.276 15.584 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.268 -25.864 16.784 1.00 0.00 H new ATOM 1158 N GLY A 72 3.453 -22.905 13.127 1.00 0.00 N ATOM 1159 CA GLY A 72 2.808 -22.087 12.114 1.00 0.00 C ATOM 1160 C GLY A 72 3.116 -20.604 12.329 1.00 0.00 C ATOM 1161 O GLY A 72 4.110 -20.092 11.818 1.00 0.00 O ATOM 0 H GLY A 72 3.522 -23.896 12.895 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.147 -22.393 11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.730 -22.246 12.145 1.00 0.00 H new ATOM 1165 N LYS A 73 2.244 -19.955 13.088 1.00 0.00 N ATOM 1166 CA LYS A 73 2.410 -18.541 13.377 1.00 0.00 C ATOM 1167 C LYS A 73 2.038 -18.277 14.837 1.00 0.00 C ATOM 1168 O LYS A 73 1.443 -17.247 15.153 1.00 0.00 O ATOM 1169 CB LYS A 73 1.620 -17.694 12.378 1.00 0.00 C ATOM 1170 CG LYS A 73 2.546 -17.087 11.322 1.00 0.00 C ATOM 1171 CD LYS A 73 1.758 -16.232 10.327 1.00 0.00 C ATOM 1172 CE LYS A 73 1.126 -17.101 9.238 1.00 0.00 C ATOM 1173 NZ LYS A 73 -0.348 -16.959 9.252 1.00 0.00 N ATOM 0 H LYS A 73 1.421 -20.383 13.511 1.00 0.00 H new ATOM 0 HA LYS A 73 3.452 -18.246 13.255 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.863 -18.310 11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.094 -16.899 12.906 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.307 -16.477 11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.067 -17.883 10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.980 -15.679 10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.420 -15.495 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.516 -16.812 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.398 -18.145 9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.761 -17.555 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.717 -17.257 10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.603 -15.965 9.081 1.00 0.00 H new ATOM 1187 N GLY A 74 2.402 -19.224 15.689 1.00 0.00 N ATOM 1188 CA GLY A 74 2.114 -19.106 17.108 1.00 0.00 C ATOM 1189 C GLY A 74 3.280 -18.453 17.852 1.00 0.00 C ATOM 1190 O GLY A 74 4.310 -19.086 18.077 1.00 0.00 O ATOM 0 H GLY A 74 2.894 -20.077 15.423 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.210 -18.514 17.251 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.918 -20.093 17.526 1.00 0.00 H new ATOM 1194 N ASN A 75 3.079 -17.195 18.214 1.00 0.00 N ATOM 1195 CA ASN A 75 4.101 -16.449 18.928 1.00 0.00 C ATOM 1196 C ASN A 75 3.446 -15.293 19.687 1.00 0.00 C ATOM 1197 O ASN A 75 2.309 -14.922 19.399 1.00 0.00 O ATOM 1198 CB ASN A 75 5.128 -15.857 17.961 1.00 0.00 C ATOM 1199 CG ASN A 75 4.587 -14.590 17.294 1.00 0.00 C ATOM 1200 OD1 ASN A 75 4.035 -14.617 16.207 1.00 0.00 O ATOM 1201 ND2 ASN A 75 4.777 -13.482 18.005 1.00 0.00 N ATOM 0 H ASN A 75 2.223 -16.673 18.026 1.00 0.00 H new ATOM 0 HA ASN A 75 4.602 -17.134 19.612 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.047 -15.625 18.499 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.382 -16.594 17.199 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.453 -12.584 17.646 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.247 -13.530 18.909 1.00 0.00 H new ATOM 1208 N TYR A 76 4.191 -14.756 20.642 1.00 0.00 N ATOM 1209 CA TYR A 76 3.697 -13.651 21.445 1.00 0.00 C ATOM 1210 C TYR A 76 4.850 -12.776 21.943 1.00 0.00 C ATOM 1211 O TYR A 76 5.951 -13.271 22.181 1.00 0.00 O ATOM 1212 CB TYR A 76 2.996 -14.283 22.649 1.00 0.00 C ATOM 1213 CG TYR A 76 2.662 -15.765 22.466 1.00 0.00 C ATOM 1214 CD1 TYR A 76 1.619 -16.141 21.644 1.00 0.00 C ATOM 1215 CD2 TYR A 76 3.404 -16.726 23.123 1.00 0.00 C ATOM 1216 CE1 TYR A 76 1.305 -17.536 21.472 1.00 0.00 C ATOM 1217 CE2 TYR A 76 3.089 -18.121 22.951 1.00 0.00 C ATOM 1218 CZ TYR A 76 2.055 -18.457 22.134 1.00 0.00 C ATOM 1219 OH TYR A 76 1.758 -19.774 21.972 1.00 0.00 O ATOM 0 H TYR A 76 5.134 -15.066 20.878 1.00 0.00 H new ATOM 0 HA TYR A 76 3.031 -13.019 20.858 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.632 -14.170 23.527 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.075 -13.735 22.849 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.038 -15.389 21.130 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.221 -16.432 23.766 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.492 -17.844 20.831 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.661 -18.883 23.459 1.00 0.00 H new ATOM 0 HH TYR A 76 2.534 -20.318 22.224 1.00 0.00 H new ATOM 1229 N TRP A 77 4.558 -11.492 22.085 1.00 0.00 N ATOM 1230 CA TRP A 77 5.556 -10.544 22.551 1.00 0.00 C ATOM 1231 C TRP A 77 5.062 -9.945 23.868 1.00 0.00 C ATOM 1232 O TRP A 77 3.857 -9.830 24.089 1.00 0.00 O ATOM 1233 CB TRP A 77 5.847 -9.486 21.484 1.00 0.00 C ATOM 1234 CG TRP A 77 6.495 -10.043 20.215 1.00 0.00 C ATOM 1235 CD1 TRP A 77 6.438 -11.295 19.741 1.00 0.00 C ATOM 1236 CD2 TRP A 77 7.305 -9.311 19.271 1.00 0.00 C ATOM 1237 NE1 TRP A 77 7.149 -11.424 18.565 1.00 0.00 N ATOM 1238 CE2 TRP A 77 7.693 -10.179 18.270 1.00 0.00 C ATOM 1239 CE3 TRP A 77 7.696 -7.961 19.263 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 8.492 -9.792 17.188 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 8.495 -7.590 18.174 1.00 0.00 C ATOM 1242 CH2 TRP A 77 8.894 -8.451 17.159 1.00 0.00 C ATOM 0 H TRP A 77 3.644 -11.085 21.886 1.00 0.00 H new ATOM 0 HA TRP A 77 6.507 -11.044 22.732 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.914 -8.990 21.215 1.00 0.00 H new ATOM 0 HB3 TRP A 77 6.502 -8.726 21.910 1.00 0.00 H new ATOM 0 HD1 TRP A 77 5.903 -12.102 20.219 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.256 -12.276 18.014 1.00 0.00 H new ATOM 0 HE3 TRP A 77 7.404 -7.265 20.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.783 -10.490 16.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.824 -6.563 18.119 1.00 0.00 H new ATOM 0 HH2 TRP A 77 9.512 -8.087 16.351 1.00 0.00 H new ATOM 1253 N THR A 78 6.017 -9.578 24.710 1.00 0.00 N ATOM 1254 CA THR A 78 5.693 -8.994 26.000 1.00 0.00 C ATOM 1255 C THR A 78 6.310 -7.599 26.124 1.00 0.00 C ATOM 1256 O THR A 78 7.450 -7.382 25.717 1.00 0.00 O ATOM 1257 CB THR A 78 6.159 -9.962 27.089 1.00 0.00 C ATOM 1258 OG1 THR A 78 5.592 -11.213 26.707 1.00 0.00 O ATOM 1259 CG2 THR A 78 5.525 -9.665 28.449 1.00 0.00 C ATOM 0 H THR A 78 7.015 -9.674 24.524 1.00 0.00 H new ATOM 0 HA THR A 78 4.618 -8.852 26.110 1.00 0.00 H new ATOM 0 HB THR A 78 7.244 -9.913 27.177 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.846 -11.900 27.359 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.890 -10.381 29.185 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.792 -8.655 28.762 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.441 -9.746 28.371 1.00 0.00 H new ATOM 1267 N LEU A 79 5.528 -6.689 26.686 1.00 0.00 N ATOM 1268 CA LEU A 79 5.983 -5.321 26.868 1.00 0.00 C ATOM 1269 C LEU A 79 6.034 -4.999 28.363 1.00 0.00 C ATOM 1270 O LEU A 79 5.236 -5.519 29.141 1.00 0.00 O ATOM 1271 CB LEU A 79 5.113 -4.355 26.061 1.00 0.00 C ATOM 1272 CG LEU A 79 5.759 -3.018 25.692 1.00 0.00 C ATOM 1273 CD1 LEU A 79 5.226 -2.502 24.354 1.00 0.00 C ATOM 1274 CD2 LEU A 79 5.579 -1.994 26.815 1.00 0.00 C ATOM 0 H LEU A 79 4.582 -6.872 27.021 1.00 0.00 H new ATOM 0 HA LEU A 79 6.995 -5.202 26.481 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.808 -4.854 25.141 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.206 -4.153 26.630 1.00 0.00 H new ATOM 0 HG LEU A 79 6.830 -3.178 25.571 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.701 -1.551 24.116 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.449 -3.226 23.570 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.147 -2.362 24.422 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.047 -1.053 26.527 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.516 -1.831 26.992 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.046 -2.368 27.726 1.00 0.00 H new ATOM 1286 N ASP A 80 6.981 -4.144 28.719 1.00 0.00 N ATOM 1287 CA ASP A 80 7.147 -3.747 30.107 1.00 0.00 C ATOM 1288 C ASP A 80 6.310 -2.495 30.379 1.00 0.00 C ATOM 1289 O ASP A 80 5.818 -1.859 29.448 1.00 0.00 O ATOM 1290 CB ASP A 80 8.608 -3.415 30.414 1.00 0.00 C ATOM 1291 CG ASP A 80 9.242 -4.254 31.525 1.00 0.00 C ATOM 1292 OD1 ASP A 80 9.002 -5.481 31.518 1.00 0.00 O ATOM 1293 OD2 ASP A 80 9.953 -3.650 32.357 1.00 0.00 O ATOM 0 H ASP A 80 7.641 -3.715 28.071 1.00 0.00 H new ATOM 0 HA ASP A 80 6.826 -4.578 30.736 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.193 -3.543 29.503 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.675 -2.363 30.690 1.00 0.00 H new ATOM 1298 N PRO A 81 6.172 -2.170 31.692 1.00 0.00 N ATOM 1299 CA PRO A 81 5.403 -1.005 32.097 1.00 0.00 C ATOM 1300 C PRO A 81 6.179 0.285 31.824 1.00 0.00 C ATOM 1301 O PRO A 81 6.956 0.736 32.664 1.00 0.00 O ATOM 1302 CB PRO A 81 5.111 -1.221 33.573 1.00 0.00 C ATOM 1303 CG PRO A 81 6.114 -2.260 34.049 1.00 0.00 C ATOM 1304 CD PRO A 81 6.740 -2.900 32.821 1.00 0.00 C ATOM 0 HA PRO A 81 4.477 -0.895 31.533 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.217 -0.291 34.132 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.089 -1.568 33.722 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.880 -1.795 34.670 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.621 -3.014 34.663 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.827 -2.815 32.841 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.504 -3.963 32.765 1.00 0.00 H new ATOM 1312 N GLN A 82 5.940 0.843 30.646 1.00 0.00 N ATOM 1313 CA GLN A 82 6.606 2.073 30.252 1.00 0.00 C ATOM 1314 C GLN A 82 6.455 2.299 28.746 1.00 0.00 C ATOM 1315 O GLN A 82 7.404 2.707 28.078 1.00 0.00 O ATOM 1316 CB GLN A 82 8.081 2.052 30.658 1.00 0.00 C ATOM 1317 CG GLN A 82 8.351 3.041 31.793 1.00 0.00 C ATOM 1318 CD GLN A 82 9.768 3.610 31.700 1.00 0.00 C ATOM 1319 OE1 GLN A 82 10.312 3.819 30.628 1.00 0.00 O ATOM 1320 NE2 GLN A 82 10.335 3.846 32.880 1.00 0.00 N ATOM 0 H GLN A 82 5.295 0.466 29.952 1.00 0.00 H new ATOM 0 HA GLN A 82 6.131 2.904 30.774 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.361 1.047 30.973 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.702 2.302 29.798 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.626 3.854 31.752 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.218 2.543 32.753 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.824 3.648 33.740 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.281 4.225 32.925 1.00 0.00 H new ATOM 1329 N SER A 83 5.255 2.023 28.256 1.00 0.00 N ATOM 1330 CA SER A 83 4.968 2.191 26.841 1.00 0.00 C ATOM 1331 C SER A 83 4.672 3.662 26.539 1.00 0.00 C ATOM 1332 O SER A 83 5.323 4.267 25.688 1.00 0.00 O ATOM 1333 CB SER A 83 3.792 1.313 26.410 1.00 0.00 C ATOM 1334 OG SER A 83 2.772 2.068 25.761 1.00 0.00 O ATOM 0 H SER A 83 4.471 1.684 28.813 1.00 0.00 H new ATOM 0 HA SER A 83 5.845 1.880 26.274 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.149 0.533 25.738 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.373 0.814 27.284 1.00 0.00 H new ATOM 0 HG SER A 83 2.040 1.472 25.500 1.00 0.00 H new ATOM 1340 N GLU A 84 3.690 4.193 27.251 1.00 0.00 N ATOM 1341 CA GLU A 84 3.300 5.581 27.069 1.00 0.00 C ATOM 1342 C GLU A 84 4.500 6.503 27.289 1.00 0.00 C ATOM 1343 O GLU A 84 4.772 7.380 26.470 1.00 0.00 O ATOM 1344 CB GLU A 84 2.145 5.953 28.002 1.00 0.00 C ATOM 1345 CG GLU A 84 0.847 6.152 27.216 1.00 0.00 C ATOM 1346 CD GLU A 84 -0.323 5.444 27.902 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -0.288 4.195 27.940 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -1.227 6.168 28.373 1.00 0.00 O ATOM 0 H GLU A 84 3.152 3.688 27.955 1.00 0.00 H new ATOM 0 HA GLU A 84 2.952 5.708 26.044 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.007 5.169 28.746 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.390 6.867 28.544 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.631 7.217 27.127 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.968 5.766 26.204 1.00 0.00 H new ATOM 1355 N ASP A 85 5.187 6.274 28.399 1.00 0.00 N ATOM 1356 CA ASP A 85 6.353 7.073 28.737 1.00 0.00 C ATOM 1357 C ASP A 85 7.393 6.945 27.623 1.00 0.00 C ATOM 1358 O ASP A 85 8.039 7.926 27.256 1.00 0.00 O ATOM 1359 CB ASP A 85 6.993 6.590 30.040 1.00 0.00 C ATOM 1360 CG ASP A 85 8.106 7.487 30.584 1.00 0.00 C ATOM 1361 OD1 ASP A 85 8.744 8.168 29.752 1.00 0.00 O ATOM 1362 OD2 ASP A 85 8.295 7.471 31.819 1.00 0.00 O ATOM 0 H ASP A 85 4.958 5.546 29.076 1.00 0.00 H new ATOM 0 HA ASP A 85 6.030 8.107 28.856 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.215 6.501 30.798 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.398 5.591 29.880 1.00 0.00 H new ATOM 1367 N MET A 86 7.524 5.728 27.115 1.00 0.00 N ATOM 1368 CA MET A 86 8.476 5.459 26.051 1.00 0.00 C ATOM 1369 C MET A 86 8.095 6.210 24.773 1.00 0.00 C ATOM 1370 O MET A 86 8.924 6.903 24.185 1.00 0.00 O ATOM 1371 CB MET A 86 8.514 3.956 25.768 1.00 0.00 C ATOM 1372 CG MET A 86 9.335 3.656 24.512 1.00 0.00 C ATOM 1373 SD MET A 86 8.272 3.630 23.079 1.00 0.00 S ATOM 1374 CE MET A 86 7.118 2.361 23.572 1.00 0.00 C ATOM 0 H MET A 86 6.986 4.917 27.421 1.00 0.00 H new ATOM 0 HA MET A 86 9.459 5.802 26.373 1.00 0.00 H new ATOM 0 HB2 MET A 86 8.944 3.432 26.622 1.00 0.00 H new ATOM 0 HB3 MET A 86 7.499 3.580 25.642 1.00 0.00 H new ATOM 0 HG2 MET A 86 10.111 4.411 24.386 1.00 0.00 H new ATOM 0 HG3 MET A 86 9.839 2.696 24.618 1.00 0.00 H new ATOM 0 HE1 MET A 86 6.909 1.709 22.724 1.00 0.00 H new ATOM 0 HE2 MET A 86 7.548 1.774 24.384 1.00 0.00 H new ATOM 0 HE3 MET A 86 6.191 2.824 23.910 1.00 0.00 H new ATOM 1384 N PHE A 87 6.840 6.047 24.380 1.00 0.00 N ATOM 1385 CA PHE A 87 6.340 6.700 23.183 1.00 0.00 C ATOM 1386 C PHE A 87 6.261 8.216 23.378 1.00 0.00 C ATOM 1387 O PHE A 87 6.464 8.978 22.434 1.00 0.00 O ATOM 1388 CB PHE A 87 4.932 6.156 22.931 1.00 0.00 C ATOM 1389 CG PHE A 87 4.908 4.775 22.273 1.00 0.00 C ATOM 1390 CD1 PHE A 87 5.724 4.510 21.218 1.00 0.00 C ATOM 1391 CD2 PHE A 87 4.069 3.813 22.742 1.00 0.00 C ATOM 1392 CE1 PHE A 87 5.701 3.228 20.607 1.00 0.00 C ATOM 1393 CE2 PHE A 87 4.046 2.531 22.131 1.00 0.00 C ATOM 1394 CZ PHE A 87 4.863 2.266 21.077 1.00 0.00 C ATOM 0 H PHE A 87 6.155 5.472 24.870 1.00 0.00 H new ATOM 0 HA PHE A 87 7.008 6.503 22.345 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.398 6.105 23.880 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.390 6.858 22.298 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.390 5.274 20.845 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.420 4.024 23.579 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.349 3.017 19.769 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.380 1.767 22.504 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.846 1.291 20.613 1.00 0.00 H new