USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 100 MET CE :methyl -135:sc= -1.79 (180deg=-3.94!) USER MOD Set 1.2: A 103 THR OG1 : rot -140:sc=-0.00428 USER MOD Set 2.1: A 50 THR OG1 : rot 28:sc= 1.98 USER MOD Set 2.2: A 98 TYR OH : rot -37:sc= 1.22 USER MOD Set 2.3: A 99 GLN : amide:sc= -2.61! C(o=0.59!,f=0.74!) USER MOD Set 3.1: A 85 SER OG : rot 160:sc= -1.14 USER MOD Set 3.2: A 87 ASN : amide:sc= -1.19 K(o=-3.9,f=-5.5) USER MOD Set 3.3: A 89 ASN : amide:sc= -1.53 K(o=-3.9,f=-8!) USER MOD Set 4.1: A 32 GLN : amide:sc= -2.15 K(o=-15,f=-16!) USER MOD Set 4.2: A 41 GLN : amide:sc= -12.6! C(o=-15!,f=-16!) USER MOD Set 5.1: A 38 ASN : amide:sc= -2.85! K(o=-4.3!,f=-0.67) USER MOD Set 5.2: A 61 ASN : amide:sc= -1.45 K(o=-4.3,f=-0.67) USER MOD Single : A 13 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.091) USER MOD Single : A 14 THR OG1 : rot 97:sc= 0.283 USER MOD Single : A 42 TYR OH : rot -6:sc= 0.374 USER MOD Single : A 43 ASN : amide:sc= -8.29! C(o=-8.3!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.57) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.486 USER MOD Single : A 70 THR OG1 : rot 171:sc= -0.197 USER MOD Single : A 72 SER OG : rot 180:sc= -0.457 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -88:sc= -0.0882 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 149:sc= 1.25 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -124:sc= -1.36 (180deg=-5.03!) USER MOD Single : A 108 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.063) USER MOD Single : A 109 MET CE :methyl 165:sc= -6.35! (180deg=-7.83!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -59:sc= 0.69 USER MOD Single : A 118 TYR OH : rot 2:sc= -4.07! USER MOD Single : A 123 LYS NZ :NH3+ -115:sc= -1.95! (180deg=-5.62!) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.138 3.548 1.205 1.00 0.00 N ATOM 132 CA ASP A 10 12.856 4.753 0.364 1.00 0.00 C ATOM 133 C ASP A 10 11.913 4.337 -0.764 1.00 0.00 C ATOM 134 O ASP A 10 12.324 4.151 -1.892 1.00 0.00 O ATOM 135 CB ASP A 10 14.164 5.284 -0.231 1.00 0.00 C ATOM 136 CG ASP A 10 14.922 6.086 0.829 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.197 5.531 1.880 1.00 0.00 O ATOM 138 OD2 ASP A 10 15.216 7.241 0.570 1.00 0.00 O ATOM 0 HA ASP A 10 12.400 5.537 0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.778 4.455 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.953 5.913 -1.096 1.00 0.00 H new ATOM 143 N ILE A 11 10.663 4.145 -0.461 1.00 0.00 N ATOM 144 CA ILE A 11 9.721 3.693 -1.504 1.00 0.00 C ATOM 145 C ILE A 11 9.313 4.852 -2.389 1.00 0.00 C ATOM 146 O ILE A 11 9.496 4.805 -3.572 1.00 0.00 O ATOM 147 CB ILE A 11 8.471 3.104 -0.880 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.788 2.359 0.413 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.845 2.130 -1.864 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.802 1.258 0.124 1.00 0.00 C ATOM 0 H ILE A 11 10.257 4.283 0.465 1.00 0.00 H new ATOM 0 HA ILE A 11 10.228 2.933 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 11 7.788 3.920 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.186 3.050 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.878 1.930 0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.944 1.699 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.586 2.657 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.555 1.334 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.031 0.723 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.386 0.563 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.715 1.700 -0.276 1.00 0.00 H new ATOM 162 N GLU A 12 8.722 5.871 -1.831 1.00 0.00 N ATOM 163 CA GLU A 12 8.249 7.020 -2.664 1.00 0.00 C ATOM 164 C GLU A 12 9.266 7.386 -3.759 1.00 0.00 C ATOM 165 O GLU A 12 8.896 7.824 -4.832 1.00 0.00 O ATOM 166 CB GLU A 12 7.995 8.233 -1.767 1.00 0.00 C ATOM 167 CG GLU A 12 9.231 8.509 -0.911 1.00 0.00 C ATOM 168 CD GLU A 12 9.048 9.833 -0.167 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.506 9.806 0.925 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.453 10.852 -0.702 1.00 0.00 O ATOM 0 H GLU A 12 8.544 5.961 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 12 7.324 6.720 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.761 9.106 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.131 8.050 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.383 7.697 -0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.120 8.552 -1.540 1.00 0.00 H new ATOM 177 N ASN A 13 10.532 7.195 -3.517 1.00 0.00 N ATOM 178 CA ASN A 13 11.541 7.516 -4.570 1.00 0.00 C ATOM 179 C ASN A 13 11.684 6.304 -5.494 1.00 0.00 C ATOM 180 O ASN A 13 11.791 6.431 -6.698 1.00 0.00 O ATOM 181 CB ASN A 13 12.890 7.826 -3.916 1.00 0.00 C ATOM 182 CG ASN A 13 13.480 9.092 -4.539 1.00 0.00 C ATOM 183 OD1 ASN A 13 14.625 9.104 -4.949 1.00 0.00 O ATOM 184 ND2 ASN A 13 12.743 10.164 -4.630 1.00 0.00 N ATOM 0 H ASN A 13 10.912 6.833 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 13 11.218 8.386 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.763 7.962 -2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.574 6.988 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.127 11.013 -5.045 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.783 10.153 -4.286 1.00 0.00 H new ATOM 191 N THR A 14 11.679 5.129 -4.928 1.00 0.00 N ATOM 192 CA THR A 14 11.806 3.884 -5.742 1.00 0.00 C ATOM 193 C THR A 14 10.514 3.643 -6.543 1.00 0.00 C ATOM 194 O THR A 14 10.468 2.795 -7.408 1.00 0.00 O ATOM 195 CB THR A 14 12.051 2.701 -4.785 1.00 0.00 C ATOM 196 OG1 THR A 14 13.387 2.756 -4.305 1.00 0.00 O ATOM 197 CG2 THR A 14 11.825 1.364 -5.503 1.00 0.00 C ATOM 0 H THR A 14 11.591 4.975 -3.923 1.00 0.00 H new ATOM 0 HA THR A 14 12.636 3.982 -6.442 1.00 0.00 H new ATOM 0 HB THR A 14 11.349 2.773 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.401 3.190 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.004 0.543 -4.808 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.798 1.315 -5.866 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.512 1.283 -6.345 1.00 0.00 H new ATOM 205 N LEU A 15 9.471 4.366 -6.259 1.00 0.00 N ATOM 206 CA LEU A 15 8.198 4.154 -6.996 1.00 0.00 C ATOM 207 C LEU A 15 8.086 5.170 -8.140 1.00 0.00 C ATOM 208 O LEU A 15 7.216 5.073 -8.983 1.00 0.00 O ATOM 209 CB LEU A 15 7.023 4.307 -6.020 1.00 0.00 C ATOM 210 CG LEU A 15 7.235 3.398 -4.809 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.395 3.900 -3.633 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.811 1.968 -5.154 1.00 0.00 C ATOM 0 H LEU A 15 9.445 5.096 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 15 8.178 3.152 -7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.939 5.345 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.088 4.052 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 15 8.290 3.411 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.549 3.249 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.696 4.916 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.341 3.892 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.964 1.324 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.757 1.958 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.410 1.602 -5.988 1.00 0.00 H new ATOM 224 N ALA A 16 8.964 6.139 -8.185 1.00 0.00 N ATOM 225 CA ALA A 16 8.910 7.146 -9.279 1.00 0.00 C ATOM 226 C ALA A 16 9.861 6.721 -10.399 1.00 0.00 C ATOM 227 O ALA A 16 9.597 6.932 -11.565 1.00 0.00 O ATOM 228 CB ALA A 16 9.338 8.512 -8.737 1.00 0.00 C ATOM 0 H ALA A 16 9.716 6.274 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 16 7.893 7.213 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.299 9.250 -9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.665 8.812 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.356 8.448 -8.352 1.00 0.00 H new ATOM 340 N ASP A 24 10.101 -5.382 -5.519 1.00 0.00 N ATOM 341 CA ASP A 24 9.618 -6.740 -5.144 1.00 0.00 C ATOM 342 C ASP A 24 10.485 -7.310 -4.013 1.00 0.00 C ATOM 343 O ASP A 24 10.153 -8.316 -3.418 1.00 0.00 O ATOM 344 CB ASP A 24 9.698 -7.664 -6.360 1.00 0.00 C ATOM 345 CG ASP A 24 11.153 -7.778 -6.825 1.00 0.00 C ATOM 346 OD1 ASP A 24 11.921 -6.874 -6.537 1.00 0.00 O ATOM 347 OD2 ASP A 24 11.474 -8.767 -7.461 1.00 0.00 O ATOM 0 HA ASP A 24 8.585 -6.670 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.309 -8.650 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.077 -7.274 -7.167 1.00 0.00 H new ATOM 352 N GLY A 25 11.595 -6.683 -3.714 1.00 0.00 N ATOM 353 CA GLY A 25 12.475 -7.202 -2.629 1.00 0.00 C ATOM 354 C GLY A 25 12.184 -6.460 -1.323 1.00 0.00 C ATOM 355 O GLY A 25 13.038 -6.330 -0.469 1.00 0.00 O ATOM 0 H GLY A 25 11.927 -5.836 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.310 -8.271 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.522 -7.074 -2.905 1.00 0.00 H new ATOM 359 N LEU A 26 10.982 -5.982 -1.155 1.00 0.00 N ATOM 360 CA LEU A 26 10.632 -5.266 0.090 1.00 0.00 C ATOM 361 C LEU A 26 9.909 -6.239 1.016 1.00 0.00 C ATOM 362 O LEU A 26 9.433 -7.276 0.602 1.00 0.00 O ATOM 363 CB LEU A 26 9.696 -4.094 -0.232 1.00 0.00 C ATOM 364 CG LEU A 26 10.458 -2.997 -0.981 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.473 -2.170 -1.816 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.156 -2.081 0.026 1.00 0.00 C ATOM 0 H LEU A 26 10.226 -6.061 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 26 11.536 -4.884 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.859 -4.443 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.276 -3.691 0.690 1.00 0.00 H new ATOM 0 HG LEU A 26 11.200 -3.455 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.015 -1.389 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.971 -2.818 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.732 -1.714 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.698 -1.300 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.412 -1.625 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.856 -2.664 0.625 1.00 0.00 H new ATOM 378 N ALA A 27 9.804 -5.894 2.256 1.00 0.00 N ATOM 379 CA ALA A 27 9.088 -6.772 3.228 1.00 0.00 C ATOM 380 C ALA A 27 7.630 -6.304 3.336 1.00 0.00 C ATOM 381 O ALA A 27 6.930 -6.600 4.292 1.00 0.00 O ATOM 382 CB ALA A 27 9.760 -6.676 4.599 1.00 0.00 C ATOM 0 H ALA A 27 10.184 -5.034 2.652 1.00 0.00 H new ATOM 0 HA ALA A 27 9.121 -7.807 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.236 -7.318 5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.799 -6.997 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.725 -5.645 4.950 1.00 0.00 H new ATOM 388 N PHE A 28 7.176 -5.565 2.358 1.00 0.00 N ATOM 389 CA PHE A 28 5.782 -5.056 2.370 1.00 0.00 C ATOM 390 C PHE A 28 5.335 -4.850 0.928 1.00 0.00 C ATOM 391 O PHE A 28 6.086 -5.068 0.000 1.00 0.00 O ATOM 392 CB PHE A 28 5.725 -3.712 3.104 1.00 0.00 C ATOM 393 CG PHE A 28 6.889 -2.849 2.685 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.173 -3.125 3.170 1.00 0.00 C ATOM 395 CD2 PHE A 28 6.684 -1.775 1.816 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.251 -2.330 2.783 1.00 0.00 C ATOM 397 CE2 PHE A 28 7.764 -0.979 1.427 1.00 0.00 C ATOM 398 CZ PHE A 28 9.049 -1.260 1.910 1.00 0.00 C ATOM 0 H PHE A 28 7.724 -5.291 1.542 1.00 0.00 H new ATOM 0 HA PHE A 28 5.133 -5.770 2.877 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.786 -3.205 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.751 -3.875 4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.329 -3.954 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.692 -1.560 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.241 -2.542 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.609 -0.148 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.885 -0.647 1.606 1.00 0.00 H new ATOM 408 N GLY A 29 4.125 -4.419 0.728 1.00 0.00 N ATOM 409 CA GLY A 29 3.642 -4.190 -0.658 1.00 0.00 C ATOM 410 C GLY A 29 3.544 -2.692 -0.909 1.00 0.00 C ATOM 411 O GLY A 29 2.894 -1.985 -0.174 1.00 0.00 O ATOM 0 H GLY A 29 3.449 -4.215 1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.324 -4.648 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.669 -4.660 -0.800 1.00 0.00 H new ATOM 415 N ALA A 30 4.167 -2.196 -1.940 1.00 0.00 N ATOM 416 CA ALA A 30 4.077 -0.735 -2.205 1.00 0.00 C ATOM 417 C ALA A 30 2.971 -0.497 -3.223 1.00 0.00 C ATOM 418 O ALA A 30 3.165 -0.633 -4.413 1.00 0.00 O ATOM 419 CB ALA A 30 5.417 -0.208 -2.732 1.00 0.00 C ATOM 0 H ALA A 30 4.728 -2.731 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 30 3.847 -0.202 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.338 0.862 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.196 -0.388 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.672 -0.723 -3.658 1.00 0.00 H new ATOM 425 N ILE A 31 1.800 -0.159 -2.756 1.00 0.00 N ATOM 426 CA ILE A 31 0.668 0.074 -3.691 1.00 0.00 C ATOM 427 C ILE A 31 0.452 1.578 -3.855 1.00 0.00 C ATOM 428 O ILE A 31 0.636 2.346 -2.934 1.00 0.00 O ATOM 429 CB ILE A 31 -0.604 -0.605 -3.143 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.202 0.202 -1.984 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.245 -1.995 -2.625 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.111 1.305 -2.534 1.00 0.00 C ATOM 0 H ILE A 31 1.580 -0.035 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 31 0.895 -0.357 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.334 -0.666 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.770 -0.456 -1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.404 0.641 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.140 -2.481 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.167 -2.591 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.495 -1.907 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.533 1.875 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.530 1.970 -3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.917 0.856 -3.114 1.00 0.00 H new ATOM 444 N GLN A 32 0.052 1.999 -5.015 1.00 0.00 N ATOM 445 CA GLN A 32 -0.187 3.447 -5.234 1.00 0.00 C ATOM 446 C GLN A 32 -1.647 3.644 -5.622 1.00 0.00 C ATOM 447 O GLN A 32 -2.369 2.692 -5.848 1.00 0.00 O ATOM 448 CB GLN A 32 0.723 3.956 -6.352 1.00 0.00 C ATOM 449 CG GLN A 32 1.955 4.625 -5.739 1.00 0.00 C ATOM 450 CD GLN A 32 2.760 5.323 -6.837 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.600 4.715 -7.470 1.00 0.00 O ATOM 452 NE2 GLN A 32 2.540 6.584 -7.089 1.00 0.00 N ATOM 0 H GLN A 32 -0.121 1.402 -5.824 1.00 0.00 H new ATOM 0 HA GLN A 32 0.032 4.005 -4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.026 3.129 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.184 4.666 -6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.650 5.348 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.574 3.881 -5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.835 7.095 -6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.073 7.059 -7.817 1.00 0.00 H new ATOM 461 N LEU A 33 -2.096 4.862 -5.700 1.00 0.00 N ATOM 462 CA LEU A 33 -3.514 5.096 -6.068 1.00 0.00 C ATOM 463 C LEU A 33 -3.654 6.459 -6.739 1.00 0.00 C ATOM 464 O LEU A 33 -2.960 7.398 -6.403 1.00 0.00 O ATOM 465 CB LEU A 33 -4.379 5.087 -4.808 1.00 0.00 C ATOM 466 CG LEU A 33 -4.488 3.661 -4.269 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.286 3.669 -2.966 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.203 2.782 -5.298 1.00 0.00 C ATOM 0 H LEU A 33 -1.544 5.702 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.835 4.309 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.944 5.740 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.371 5.478 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.490 3.265 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.364 2.652 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.779 4.297 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.285 4.064 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.282 1.764 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.201 3.178 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.636 2.777 -6.229 1.00 0.00 H new ATOM 480 N ASP A 34 -4.559 6.586 -7.665 1.00 0.00 N ATOM 481 CA ASP A 34 -4.751 7.903 -8.327 1.00 0.00 C ATOM 482 C ASP A 34 -6.175 8.394 -8.074 1.00 0.00 C ATOM 483 O ASP A 34 -7.117 7.631 -8.163 1.00 0.00 O ATOM 484 CB ASP A 34 -4.522 7.781 -9.833 1.00 0.00 C ATOM 485 CG ASP A 34 -3.151 8.355 -10.198 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.669 9.204 -9.466 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.608 7.939 -11.207 1.00 0.00 O ATOM 0 H ASP A 34 -5.172 5.839 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.032 8.612 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.581 6.735 -10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.305 8.313 -10.373 1.00 0.00 H new ATOM 492 N GLY A 35 -6.285 9.671 -7.756 1.00 0.00 N ATOM 493 CA GLY A 35 -7.589 10.373 -7.459 1.00 0.00 C ATOM 494 C GLY A 35 -8.820 9.524 -7.769 1.00 0.00 C ATOM 495 O GLY A 35 -9.551 9.785 -8.702 1.00 0.00 O ATOM 0 H GLY A 35 -5.476 10.288 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.609 10.657 -6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.637 11.295 -8.039 1.00 0.00 H new ATOM 499 N ASP A 36 -9.044 8.519 -6.974 1.00 0.00 N ATOM 500 CA ASP A 36 -10.223 7.618 -7.168 1.00 0.00 C ATOM 501 C ASP A 36 -9.975 6.316 -6.409 1.00 0.00 C ATOM 502 O ASP A 36 -10.893 5.601 -6.059 1.00 0.00 O ATOM 503 CB ASP A 36 -10.413 7.292 -8.656 1.00 0.00 C ATOM 504 CG ASP A 36 -11.576 8.113 -9.217 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.634 8.100 -8.610 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.388 8.740 -10.247 1.00 0.00 O ATOM 0 H ASP A 36 -8.451 8.275 -6.181 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.117 8.119 -6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.499 7.514 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.611 6.228 -8.783 1.00 0.00 H new ATOM 511 N GLY A 37 -8.733 5.992 -6.176 1.00 0.00 N ATOM 512 CA GLY A 37 -8.405 4.731 -5.471 1.00 0.00 C ATOM 513 C GLY A 37 -7.997 3.693 -6.516 1.00 0.00 C ATOM 514 O GLY A 37 -7.975 2.502 -6.254 1.00 0.00 O ATOM 0 H GLY A 37 -7.927 6.555 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.595 4.893 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.265 4.379 -4.901 1.00 0.00 H new ATOM 518 N ASN A 38 -7.663 4.136 -7.707 1.00 0.00 N ATOM 519 CA ASN A 38 -7.251 3.165 -8.761 1.00 0.00 C ATOM 520 C ASN A 38 -5.782 2.830 -8.558 1.00 0.00 C ATOM 521 O ASN A 38 -4.951 3.702 -8.424 1.00 0.00 O ATOM 522 CB ASN A 38 -7.445 3.773 -10.147 1.00 0.00 C ATOM 523 CG ASN A 38 -8.939 3.917 -10.439 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.613 2.943 -10.712 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.489 5.099 -10.393 1.00 0.00 N ATOM 0 H ASN A 38 -7.659 5.116 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.862 2.265 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.958 4.747 -10.199 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.976 3.141 -10.901 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.485 5.206 -10.586 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.923 5.916 -10.164 1.00 0.00 H new ATOM 532 N ILE A 39 -5.458 1.575 -8.508 1.00 0.00 N ATOM 533 CA ILE A 39 -4.042 1.183 -8.273 1.00 0.00 C ATOM 534 C ILE A 39 -3.126 1.675 -9.401 1.00 0.00 C ATOM 535 O ILE A 39 -3.431 1.568 -10.573 1.00 0.00 O ATOM 536 CB ILE A 39 -3.959 -0.363 -8.115 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.177 -0.693 -6.842 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.260 -1.036 -9.308 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.085 -0.536 -5.624 1.00 0.00 C ATOM 0 H ILE A 39 -6.111 0.800 -8.619 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.693 1.657 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.979 -0.743 -8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.794 -1.712 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.315 -0.033 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.227 -2.114 -9.150 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.812 -0.820 -10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.244 -0.652 -9.399 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.524 -0.772 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.446 0.491 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.933 -1.215 -5.713 1.00 0.00 H new ATOM 551 N LEU A 40 -1.979 2.159 -9.031 1.00 0.00 N ATOM 552 CA LEU A 40 -0.979 2.607 -10.035 1.00 0.00 C ATOM 553 C LEU A 40 0.110 1.532 -10.075 1.00 0.00 C ATOM 554 O LEU A 40 0.714 1.267 -11.095 1.00 0.00 O ATOM 555 CB LEU A 40 -0.369 3.952 -9.617 1.00 0.00 C ATOM 556 CG LEU A 40 -1.433 4.828 -8.947 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.813 6.168 -8.562 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.590 5.068 -9.917 1.00 0.00 C ATOM 0 H LEU A 40 -1.686 2.265 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.441 2.742 -11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.461 3.786 -8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.037 4.463 -10.490 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.807 4.324 -8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.567 6.794 -8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.012 6.002 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.440 6.667 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.344 5.691 -9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.218 5.571 -10.809 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.034 4.113 -10.198 1.00 0.00 H new ATOM 570 N GLN A 41 0.334 0.894 -8.953 1.00 0.00 N ATOM 571 CA GLN A 41 1.349 -0.197 -8.871 1.00 0.00 C ATOM 572 C GLN A 41 1.012 -1.080 -7.661 1.00 0.00 C ATOM 573 O GLN A 41 0.007 -0.886 -7.006 1.00 0.00 O ATOM 574 CB GLN A 41 2.790 0.350 -8.741 1.00 0.00 C ATOM 575 CG GLN A 41 2.828 1.832 -8.329 1.00 0.00 C ATOM 576 CD GLN A 41 3.173 1.929 -6.844 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.132 2.576 -6.472 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.427 1.308 -5.976 1.00 0.00 N ATOM 0 H GLN A 41 -0.152 1.088 -8.078 1.00 0.00 H new ATOM 0 HA GLN A 41 1.313 -0.773 -9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.334 -0.242 -8.004 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.308 0.228 -9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.568 2.369 -8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.863 2.301 -8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.623 0.766 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.647 1.364 -4.982 1.00 0.00 H new ATOM 587 N TYR A 42 1.827 -2.055 -7.370 1.00 0.00 N ATOM 588 CA TYR A 42 1.533 -2.960 -6.211 1.00 0.00 C ATOM 589 C TYR A 42 2.817 -3.692 -5.787 1.00 0.00 C ATOM 590 O TYR A 42 3.290 -3.539 -4.673 1.00 0.00 O ATOM 591 CB TYR A 42 0.473 -3.985 -6.648 1.00 0.00 C ATOM 592 CG TYR A 42 -0.489 -4.276 -5.516 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.419 -3.306 -5.116 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.464 -5.523 -4.876 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.319 -3.587 -4.078 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.365 -5.798 -3.840 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.288 -4.835 -3.443 1.00 0.00 C ATOM 598 OH TYR A 42 -3.167 -5.121 -2.421 1.00 0.00 O ATOM 0 H TYR A 42 2.684 -2.269 -7.880 1.00 0.00 H new ATOM 0 HA TYR A 42 1.164 -2.378 -5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.076 -3.603 -7.509 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.960 -4.907 -6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.442 -2.344 -5.606 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.251 -6.272 -5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.036 -2.841 -3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.344 -6.759 -3.348 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.680 -4.317 -2.196 1.00 0.00 H new ATOM 608 N ASN A 43 3.358 -4.484 -6.694 1.00 0.00 N ATOM 609 CA ASN A 43 4.614 -5.287 -6.461 1.00 0.00 C ATOM 610 C ASN A 43 4.239 -6.746 -6.143 1.00 0.00 C ATOM 611 O ASN A 43 3.076 -7.091 -6.067 1.00 0.00 O ATOM 612 CB ASN A 43 5.521 -4.665 -5.369 1.00 0.00 C ATOM 613 CG ASN A 43 5.196 -5.192 -3.965 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.117 -5.690 -3.716 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.099 -5.086 -3.029 1.00 0.00 N ATOM 0 H ASN A 43 2.962 -4.611 -7.625 1.00 0.00 H new ATOM 0 HA ASN A 43 5.207 -5.270 -7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.564 -4.880 -5.602 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.408 -3.581 -5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.899 -5.422 -2.087 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.005 -4.667 -3.240 1.00 0.00 H new ATOM 622 N ALA A 44 5.210 -7.612 -5.999 1.00 0.00 N ATOM 623 CA ALA A 44 4.895 -9.051 -5.736 1.00 0.00 C ATOM 624 C ALA A 44 4.934 -9.383 -4.239 1.00 0.00 C ATOM 625 O ALA A 44 4.451 -10.416 -3.824 1.00 0.00 O ATOM 626 CB ALA A 44 5.914 -9.926 -6.466 1.00 0.00 C ATOM 0 H ALA A 44 6.204 -7.387 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 44 3.885 -9.244 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.691 -10.977 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.862 -9.729 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.916 -9.697 -6.103 1.00 0.00 H new ATOM 632 N ALA A 45 5.511 -8.544 -3.424 1.00 0.00 N ATOM 633 CA ALA A 45 5.571 -8.866 -1.966 1.00 0.00 C ATOM 634 C ALA A 45 4.157 -9.066 -1.420 1.00 0.00 C ATOM 635 O ALA A 45 3.792 -10.148 -0.998 1.00 0.00 O ATOM 636 CB ALA A 45 6.255 -7.723 -1.213 1.00 0.00 C ATOM 0 H ALA A 45 5.939 -7.660 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 45 6.143 -9.784 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.297 -7.961 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.267 -7.590 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.689 -6.803 -1.356 1.00 0.00 H new ATOM 642 N GLU A 46 3.360 -8.039 -1.421 1.00 0.00 N ATOM 643 CA GLU A 46 1.971 -8.180 -0.903 1.00 0.00 C ATOM 644 C GLU A 46 1.203 -9.142 -1.789 1.00 0.00 C ATOM 645 O GLU A 46 0.480 -9.987 -1.322 1.00 0.00 O ATOM 646 CB GLU A 46 1.272 -6.831 -0.934 1.00 0.00 C ATOM 647 CG GLU A 46 1.301 -6.270 -2.353 1.00 0.00 C ATOM 648 CD GLU A 46 0.895 -4.800 -2.325 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.653 -3.990 -2.834 1.00 0.00 O ATOM 650 OE2 GLU A 46 -0.299 -4.480 -1.708 1.00 0.00 O ATOM 0 H GLU A 46 3.608 -7.108 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 46 2.007 -8.554 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.241 -6.937 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.763 -6.140 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.300 -6.375 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.622 -6.834 -2.993 1.00 0.00 H new ATOM 658 N GLY A 47 1.354 -9.014 -3.068 1.00 0.00 N ATOM 659 CA GLY A 47 0.628 -9.926 -3.994 1.00 0.00 C ATOM 660 C GLY A 47 1.044 -11.378 -3.715 1.00 0.00 C ATOM 661 O GLY A 47 0.389 -12.306 -4.138 1.00 0.00 O ATOM 0 H GLY A 47 1.948 -8.318 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.448 -9.813 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.852 -9.665 -5.028 1.00 0.00 H new ATOM 665 N ASP A 48 2.128 -11.590 -3.011 1.00 0.00 N ATOM 666 CA ASP A 48 2.560 -12.989 -2.721 1.00 0.00 C ATOM 667 C ASP A 48 1.871 -13.488 -1.446 1.00 0.00 C ATOM 668 O ASP A 48 1.644 -14.669 -1.272 1.00 0.00 O ATOM 669 CB ASP A 48 4.079 -13.024 -2.528 1.00 0.00 C ATOM 670 CG ASP A 48 4.769 -13.269 -3.874 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.076 -13.326 -4.877 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.984 -13.394 -3.879 1.00 0.00 O ATOM 0 H ASP A 48 2.728 -10.860 -2.628 1.00 0.00 H new ATOM 0 HA ASP A 48 2.284 -13.633 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.422 -12.082 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.347 -13.811 -1.823 1.00 0.00 H new ATOM 677 N ILE A 49 1.545 -12.598 -0.550 1.00 0.00 N ATOM 678 CA ILE A 49 0.880 -13.010 0.719 1.00 0.00 C ATOM 679 C ILE A 49 -0.625 -13.183 0.477 1.00 0.00 C ATOM 680 O ILE A 49 -1.260 -14.075 1.003 1.00 0.00 O ATOM 681 CB ILE A 49 1.161 -11.918 1.766 1.00 0.00 C ATOM 682 CG1 ILE A 49 2.105 -12.473 2.832 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.116 -11.397 2.449 1.00 0.00 C ATOM 684 CD1 ILE A 49 1.434 -13.643 3.554 1.00 0.00 C ATOM 0 H ILE A 49 1.712 -11.596 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 49 1.265 -13.964 1.078 1.00 0.00 H new ATOM 0 HB ILE A 49 1.613 -11.078 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.036 -12.803 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.362 -11.691 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.148 -10.629 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.783 -10.972 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.619 -12.220 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.109 -14.037 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.515 -13.299 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.199 -14.428 2.835 1.00 0.00 H new ATOM 696 N THR A 50 -1.187 -12.309 -0.299 1.00 0.00 N ATOM 697 CA THR A 50 -2.653 -12.372 -0.575 1.00 0.00 C ATOM 698 C THR A 50 -2.912 -12.699 -2.055 1.00 0.00 C ATOM 699 O THR A 50 -4.046 -12.819 -2.474 1.00 0.00 O ATOM 700 CB THR A 50 -3.349 -11.037 -0.196 1.00 0.00 C ATOM 701 OG1 THR A 50 -4.488 -10.851 -1.023 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.412 -9.822 -0.362 1.00 0.00 C ATOM 0 H THR A 50 -0.695 -11.544 -0.761 1.00 0.00 H new ATOM 0 HA THR A 50 -3.074 -13.167 0.040 1.00 0.00 H new ATOM 0 HB THR A 50 -3.634 -11.103 0.854 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.834 -11.724 -1.304 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.944 -8.912 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.541 -9.944 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.088 -9.751 -1.400 1.00 0.00 H new ATOM 710 N GLY A 51 -1.886 -12.866 -2.847 1.00 0.00 N ATOM 711 CA GLY A 51 -2.109 -13.208 -4.280 1.00 0.00 C ATOM 712 C GLY A 51 -2.468 -11.957 -5.093 1.00 0.00 C ATOM 713 O GLY A 51 -2.640 -12.025 -6.292 1.00 0.00 O ATOM 0 H GLY A 51 -0.909 -12.781 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.211 -13.669 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.910 -13.942 -4.362 1.00 0.00 H new ATOM 717 N ARG A 52 -2.596 -10.819 -4.461 1.00 0.00 N ATOM 718 CA ARG A 52 -2.957 -9.590 -5.227 1.00 0.00 C ATOM 719 C ARG A 52 -1.855 -9.242 -6.224 1.00 0.00 C ATOM 720 O ARG A 52 -0.938 -8.507 -5.919 1.00 0.00 O ATOM 721 CB ARG A 52 -3.148 -8.409 -4.276 1.00 0.00 C ATOM 722 CG ARG A 52 -4.639 -8.217 -4.009 1.00 0.00 C ATOM 723 CD ARG A 52 -5.031 -6.747 -4.133 1.00 0.00 C ATOM 724 NE ARG A 52 -5.650 -6.248 -2.854 1.00 0.00 N ATOM 725 CZ ARG A 52 -6.722 -6.802 -2.319 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.191 -7.959 -2.717 1.00 0.00 N ATOM 727 NH2 ARG A 52 -7.347 -6.169 -1.368 1.00 0.00 N ATOM 0 H ARG A 52 -2.468 -10.688 -3.458 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.887 -9.786 -5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.619 -8.591 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.725 -7.504 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.218 -8.812 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.883 -8.579 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.151 -6.150 -4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.735 -6.622 -4.956 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.224 -5.450 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.724 -8.467 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.023 -8.351 -2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.006 -5.262 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.177 -6.580 -0.942 1.00 0.00 H new ATOM 741 N ASP A 53 -1.954 -9.741 -7.419 1.00 0.00 N ATOM 742 CA ASP A 53 -0.927 -9.411 -8.444 1.00 0.00 C ATOM 743 C ASP A 53 -1.142 -7.953 -8.868 1.00 0.00 C ATOM 744 O ASP A 53 -2.217 -7.426 -8.680 1.00 0.00 O ATOM 745 CB ASP A 53 -1.088 -10.331 -9.658 1.00 0.00 C ATOM 746 CG ASP A 53 -0.666 -11.754 -9.285 1.00 0.00 C ATOM 747 OD1 ASP A 53 0.526 -12.020 -9.295 1.00 0.00 O ATOM 748 OD2 ASP A 53 -1.541 -12.555 -8.999 1.00 0.00 O ATOM 0 H ASP A 53 -2.700 -10.362 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 53 0.075 -9.548 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.124 -10.325 -9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.480 -9.966 -10.486 1.00 0.00 H new ATOM 753 N PRO A 54 -0.122 -7.332 -9.414 1.00 0.00 N ATOM 754 CA PRO A 54 -0.210 -5.927 -9.851 1.00 0.00 C ATOM 755 C PRO A 54 -0.949 -5.818 -11.189 1.00 0.00 C ATOM 756 O PRO A 54 -1.760 -4.936 -11.391 1.00 0.00 O ATOM 757 CB PRO A 54 1.253 -5.503 -9.999 1.00 0.00 C ATOM 758 CG PRO A 54 2.067 -6.804 -10.197 1.00 0.00 C ATOM 759 CD PRO A 54 1.200 -7.956 -9.650 1.00 0.00 C ATOM 0 HA PRO A 54 -0.763 -5.299 -9.152 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.379 -4.833 -10.849 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.592 -4.963 -9.115 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.298 -6.960 -11.251 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.018 -6.750 -9.667 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.132 -8.777 -10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.617 -8.367 -8.730 1.00 0.00 H new ATOM 767 N LYS A 55 -0.670 -6.703 -12.105 1.00 0.00 N ATOM 768 CA LYS A 55 -1.351 -6.642 -13.426 1.00 0.00 C ATOM 769 C LYS A 55 -2.840 -6.955 -13.262 1.00 0.00 C ATOM 770 O LYS A 55 -3.663 -6.511 -14.037 1.00 0.00 O ATOM 771 CB LYS A 55 -0.722 -7.662 -14.376 1.00 0.00 C ATOM 772 CG LYS A 55 0.372 -6.981 -15.198 1.00 0.00 C ATOM 773 CD LYS A 55 1.708 -7.681 -14.949 1.00 0.00 C ATOM 774 CE LYS A 55 2.850 -6.685 -15.152 1.00 0.00 C ATOM 775 NZ LYS A 55 2.640 -5.943 -16.427 1.00 0.00 N ATOM 0 H LYS A 55 -0.000 -7.465 -11.995 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.237 -5.639 -13.837 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.302 -8.493 -13.809 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.483 -8.078 -15.036 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.122 -7.019 -16.258 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.445 -5.928 -14.925 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.737 -8.083 -13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.821 -8.525 -15.630 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.892 -5.988 -14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.805 -7.210 -15.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.545 -5.544 -16.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.271 -6.593 -17.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.958 -5.174 -16.273 1.00 0.00 H new ATOM 789 N GLN A 56 -3.197 -7.719 -12.266 1.00 0.00 N ATOM 790 CA GLN A 56 -4.636 -8.054 -12.072 1.00 0.00 C ATOM 791 C GLN A 56 -5.320 -6.940 -11.276 1.00 0.00 C ATOM 792 O GLN A 56 -6.418 -6.526 -11.592 1.00 0.00 O ATOM 793 CB GLN A 56 -4.758 -9.380 -11.318 1.00 0.00 C ATOM 794 CG GLN A 56 -5.165 -10.489 -12.294 1.00 0.00 C ATOM 795 CD GLN A 56 -6.208 -11.393 -11.635 1.00 0.00 C ATOM 796 OE1 GLN A 56 -7.391 -11.122 -11.697 1.00 0.00 O ATOM 797 NE2 GLN A 56 -5.817 -12.467 -11.004 1.00 0.00 N ATOM 0 H GLN A 56 -2.558 -8.124 -11.582 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.120 -8.149 -13.044 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.809 -9.629 -10.844 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.498 -9.291 -10.523 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.571 -10.053 -13.207 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.291 -11.074 -12.581 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.824 -12.695 -10.952 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.504 -13.078 -10.563 1.00 0.00 H new ATOM 806 N VAL A 57 -4.679 -6.440 -10.253 1.00 0.00 N ATOM 807 CA VAL A 57 -5.298 -5.343 -9.454 1.00 0.00 C ATOM 808 C VAL A 57 -5.142 -4.015 -10.193 1.00 0.00 C ATOM 809 O VAL A 57 -5.577 -2.984 -9.721 1.00 0.00 O ATOM 810 CB VAL A 57 -4.614 -5.235 -8.092 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.804 -6.544 -7.329 1.00 0.00 C ATOM 812 CG2 VAL A 57 -3.119 -4.955 -8.283 1.00 0.00 C ATOM 0 H VAL A 57 -3.757 -6.742 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.355 -5.567 -9.314 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.057 -4.416 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.318 -6.472 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.868 -6.733 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.362 -7.363 -7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.636 -4.879 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.666 -5.768 -8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.991 -4.019 -8.826 1.00 0.00 H new ATOM 822 N ILE A 58 -4.528 -4.021 -11.347 1.00 0.00 N ATOM 823 CA ILE A 58 -4.363 -2.750 -12.087 1.00 0.00 C ATOM 824 C ILE A 58 -5.729 -2.306 -12.609 1.00 0.00 C ATOM 825 O ILE A 58 -6.399 -3.016 -13.333 1.00 0.00 O ATOM 826 CB ILE A 58 -3.331 -2.954 -13.218 1.00 0.00 C ATOM 827 CG1 ILE A 58 -2.002 -2.377 -12.743 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.743 -2.244 -14.519 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.872 -2.850 -13.660 1.00 0.00 C ATOM 0 H ILE A 58 -4.139 -4.847 -11.801 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.983 -1.960 -11.440 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.260 -4.020 -13.435 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.048 -1.288 -12.740 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.805 -2.690 -11.718 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.986 -2.417 -15.284 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.700 -2.638 -14.861 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.835 -1.173 -14.336 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.075 -2.434 -13.315 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.819 -3.939 -13.640 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.066 -2.515 -14.679 1.00 0.00 H new ATOM 841 N GLY A 59 -6.141 -1.137 -12.229 1.00 0.00 N ATOM 842 CA GLY A 59 -7.467 -0.632 -12.678 1.00 0.00 C ATOM 843 C GLY A 59 -8.512 -0.950 -11.608 1.00 0.00 C ATOM 844 O GLY A 59 -9.566 -0.347 -11.558 1.00 0.00 O ATOM 0 H GLY A 59 -5.618 -0.504 -11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.421 0.443 -12.851 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.745 -1.095 -13.625 1.00 0.00 H new ATOM 848 N LYS A 60 -8.226 -1.890 -10.745 1.00 0.00 N ATOM 849 CA LYS A 60 -9.202 -2.238 -9.676 1.00 0.00 C ATOM 850 C LYS A 60 -9.089 -1.211 -8.549 1.00 0.00 C ATOM 851 O LYS A 60 -8.002 -0.832 -8.151 1.00 0.00 O ATOM 852 CB LYS A 60 -8.887 -3.632 -9.114 1.00 0.00 C ATOM 853 CG LYS A 60 -8.614 -4.612 -10.258 1.00 0.00 C ATOM 854 CD LYS A 60 -9.870 -4.756 -11.122 1.00 0.00 C ATOM 855 CE LYS A 60 -10.477 -6.146 -10.918 1.00 0.00 C ATOM 856 NZ LYS A 60 -11.916 -6.121 -11.308 1.00 0.00 N ATOM 0 H LYS A 60 -7.360 -2.429 -10.736 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.210 -2.236 -10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.020 -3.580 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.723 -3.987 -8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.782 -4.255 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.323 -5.583 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.597 -3.988 -10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.620 -4.608 -12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.939 -6.881 -11.517 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.377 -6.449 -9.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.330 -7.065 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.424 -5.431 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.000 -5.849 -12.308 1.00 0.00 H new ATOM 870 N ASN A 61 -10.194 -0.762 -8.016 1.00 0.00 N ATOM 871 CA ASN A 61 -10.119 0.221 -6.902 1.00 0.00 C ATOM 872 C ASN A 61 -9.763 -0.542 -5.627 1.00 0.00 C ATOM 873 O ASN A 61 -10.606 -1.138 -4.987 1.00 0.00 O ATOM 874 CB ASN A 61 -11.464 0.934 -6.732 1.00 0.00 C ATOM 875 CG ASN A 61 -11.292 2.427 -7.017 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.574 3.255 -6.175 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.839 2.808 -8.179 1.00 0.00 N ATOM 0 H ASN A 61 -11.135 -1.031 -8.302 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.363 0.976 -7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.202 0.506 -7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.839 0.788 -5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.722 3.801 -8.380 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.602 2.113 -8.887 1.00 0.00 H new ATOM 884 N PHE A 62 -8.510 -0.537 -5.270 1.00 0.00 N ATOM 885 CA PHE A 62 -8.064 -1.275 -4.047 1.00 0.00 C ATOM 886 C PHE A 62 -8.846 -0.795 -2.821 1.00 0.00 C ATOM 887 O PHE A 62 -8.870 -1.452 -1.799 1.00 0.00 O ATOM 888 CB PHE A 62 -6.567 -1.019 -3.837 1.00 0.00 C ATOM 889 CG PHE A 62 -6.138 -1.512 -2.472 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.915 -2.874 -2.266 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.967 -0.603 -1.420 1.00 0.00 C ATOM 892 CE1 PHE A 62 -5.519 -3.334 -1.003 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.570 -1.062 -0.159 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.345 -2.428 0.048 1.00 0.00 C ATOM 0 H PHE A 62 -7.768 -0.051 -5.774 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.248 -2.341 -4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.992 -1.526 -4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.357 0.046 -3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.047 -3.573 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.141 0.450 -1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.348 -4.388 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.437 -0.363 0.654 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.037 -2.783 1.020 1.00 0.00 H new ATOM 904 N PHE A 63 -9.459 0.346 -2.898 1.00 0.00 N ATOM 905 CA PHE A 63 -10.201 0.858 -1.715 1.00 0.00 C ATOM 906 C PHE A 63 -11.684 0.488 -1.812 1.00 0.00 C ATOM 907 O PHE A 63 -12.349 0.296 -0.814 1.00 0.00 O ATOM 908 CB PHE A 63 -10.064 2.379 -1.647 1.00 0.00 C ATOM 909 CG PHE A 63 -8.974 2.742 -0.669 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.264 2.846 0.697 1.00 0.00 C ATOM 911 CD2 PHE A 63 -7.673 2.978 -1.127 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.254 3.185 1.602 1.00 0.00 C ATOM 913 CE2 PHE A 63 -6.661 3.318 -0.220 1.00 0.00 C ATOM 914 CZ PHE A 63 -6.952 3.421 1.144 1.00 0.00 C ATOM 0 H PHE A 63 -9.481 0.946 -3.723 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.782 0.406 -0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -9.830 2.778 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.009 2.827 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.268 2.664 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.449 2.898 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.478 3.265 2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.657 3.500 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.172 3.683 1.844 1.00 0.00 H new ATOM 924 N LYS A 64 -12.213 0.394 -3.001 1.00 0.00 N ATOM 925 CA LYS A 64 -13.656 0.048 -3.142 1.00 0.00 C ATOM 926 C LYS A 64 -13.849 -0.934 -4.301 1.00 0.00 C ATOM 927 O LYS A 64 -14.777 -0.816 -5.076 1.00 0.00 O ATOM 928 CB LYS A 64 -14.458 1.324 -3.416 1.00 0.00 C ATOM 929 CG LYS A 64 -15.537 1.495 -2.343 1.00 0.00 C ATOM 930 CD LYS A 64 -16.122 2.908 -2.429 1.00 0.00 C ATOM 931 CE LYS A 64 -17.363 3.004 -1.539 1.00 0.00 C ATOM 932 NZ LYS A 64 -17.791 4.428 -1.435 1.00 0.00 N ATOM 0 H LYS A 64 -11.712 0.541 -3.877 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.005 -0.417 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.794 2.189 -3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.918 1.271 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.325 0.755 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.112 1.325 -1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.379 3.640 -2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.383 3.142 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.170 2.400 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.145 2.605 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.634 4.494 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.022 4.992 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.015 4.793 -2.383 1.00 0.00 H new ATOM 946 N ASP A 65 -12.988 -1.907 -4.425 1.00 0.00 N ATOM 947 CA ASP A 65 -13.141 -2.890 -5.536 1.00 0.00 C ATOM 948 C ASP A 65 -12.427 -4.196 -5.189 1.00 0.00 C ATOM 949 O ASP A 65 -12.905 -5.268 -5.504 1.00 0.00 O ATOM 950 CB ASP A 65 -12.543 -2.321 -6.820 1.00 0.00 C ATOM 951 CG ASP A 65 -13.557 -2.454 -7.958 1.00 0.00 C ATOM 952 OD1 ASP A 65 -14.393 -1.574 -8.086 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.481 -3.433 -8.682 1.00 0.00 O ATOM 0 H ASP A 65 -12.190 -2.064 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.203 -3.086 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.277 -1.274 -6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.625 -2.852 -7.073 1.00 0.00 H new ATOM 958 N VAL A 66 -11.288 -4.132 -4.545 1.00 0.00 N ATOM 959 CA VAL A 66 -10.582 -5.380 -4.200 1.00 0.00 C ATOM 960 C VAL A 66 -10.757 -5.650 -2.723 1.00 0.00 C ATOM 961 O VAL A 66 -11.197 -6.697 -2.291 1.00 0.00 O ATOM 962 CB VAL A 66 -9.081 -5.217 -4.409 1.00 0.00 C ATOM 963 CG1 VAL A 66 -8.492 -6.579 -4.664 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.737 -4.311 -5.580 1.00 0.00 C ATOM 0 H VAL A 66 -10.828 -3.271 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.984 -6.178 -4.824 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.671 -4.753 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.417 -6.488 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.683 -7.224 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.949 -7.012 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.654 -4.236 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.154 -4.727 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.156 -3.319 -5.408 1.00 0.00 H new ATOM 974 N ALA A 67 -10.327 -4.704 -1.961 1.00 0.00 N ATOM 975 CA ALA A 67 -10.342 -4.826 -0.498 1.00 0.00 C ATOM 976 C ALA A 67 -11.450 -3.947 0.106 1.00 0.00 C ATOM 977 O ALA A 67 -11.273 -2.752 0.239 1.00 0.00 O ATOM 978 CB ALA A 67 -8.978 -4.339 -0.039 1.00 0.00 C ATOM 0 H ALA A 67 -9.953 -3.820 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.539 -5.850 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.916 -4.402 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.201 -4.961 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.837 -3.304 -0.352 1.00 0.00 H new ATOM 984 N PRO A 68 -12.563 -4.557 0.464 1.00 0.00 N ATOM 985 CA PRO A 68 -13.693 -3.825 1.059 1.00 0.00 C ATOM 986 C PRO A 68 -13.398 -3.468 2.521 1.00 0.00 C ATOM 987 O PRO A 68 -14.174 -2.794 3.168 1.00 0.00 O ATOM 988 CB PRO A 68 -14.862 -4.810 0.955 1.00 0.00 C ATOM 989 CG PRO A 68 -14.237 -6.217 0.833 1.00 0.00 C ATOM 990 CD PRO A 68 -12.798 -6.014 0.321 1.00 0.00 C ATOM 0 HA PRO A 68 -13.898 -2.879 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.504 -4.745 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.484 -4.585 0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.238 -6.727 1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.810 -6.838 0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.082 -6.592 0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.695 -6.334 -0.716 1.00 0.00 H new ATOM 998 N CYS A 69 -12.283 -3.906 3.050 1.00 0.00 N ATOM 999 CA CYS A 69 -11.961 -3.573 4.465 1.00 0.00 C ATOM 1000 C CYS A 69 -11.211 -2.235 4.514 1.00 0.00 C ATOM 1001 O CYS A 69 -11.225 -1.541 5.511 1.00 0.00 O ATOM 1002 CB CYS A 69 -11.112 -4.704 5.088 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.371 -4.580 4.580 1.00 0.00 S ATOM 0 H CYS A 69 -11.589 -4.475 2.565 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.881 -3.479 5.042 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.180 -4.656 6.175 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.513 -5.671 4.786 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.690 -5.544 5.125 1.00 0.00 H new ATOM 1008 N THR A 70 -10.554 -1.872 3.443 1.00 0.00 N ATOM 1009 CA THR A 70 -9.804 -0.586 3.432 1.00 0.00 C ATOM 1010 C THR A 70 -10.780 0.585 3.267 1.00 0.00 C ATOM 1011 O THR A 70 -10.388 1.735 3.285 1.00 0.00 O ATOM 1012 CB THR A 70 -8.794 -0.596 2.281 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.372 -1.233 1.151 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.542 -1.360 2.712 1.00 0.00 C ATOM 0 H THR A 70 -10.506 -2.411 2.578 1.00 0.00 H new ATOM 0 HA THR A 70 -9.271 -0.468 4.376 1.00 0.00 H new ATOM 0 HB THR A 70 -8.525 0.428 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.791 -1.108 0.372 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.821 -1.369 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.099 -0.873 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.811 -2.384 2.969 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.051 0.311 3.125 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.033 1.419 2.986 1.00 0.00 C ATOM 1024 C ASP A 71 -13.578 1.751 4.373 1.00 0.00 C ATOM 1025 O ASP A 71 -14.771 1.822 4.592 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.177 0.984 2.065 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.547 2.137 1.128 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -13.791 2.391 0.205 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.582 2.746 1.349 1.00 0.00 O ATOM 0 H ASP A 71 -12.447 -0.629 3.100 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.553 2.297 2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.878 0.111 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.044 0.691 2.658 1.00 0.00 H new ATOM 1034 N SER A 72 -12.696 1.949 5.311 1.00 0.00 N ATOM 1035 CA SER A 72 -13.125 2.271 6.701 1.00 0.00 C ATOM 1036 C SER A 72 -12.683 3.702 7.043 1.00 0.00 C ATOM 1037 O SER A 72 -12.075 4.357 6.220 1.00 0.00 O ATOM 1038 CB SER A 72 -12.474 1.282 7.671 1.00 0.00 C ATOM 1039 OG SER A 72 -13.489 0.587 8.382 1.00 0.00 O ATOM 0 H SER A 72 -11.686 1.901 5.173 1.00 0.00 H new ATOM 0 HA SER A 72 -14.209 2.196 6.784 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.848 0.576 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.824 1.812 8.367 1.00 0.00 H new ATOM 0 HG SER A 72 -13.076 -0.049 9.003 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.004 4.158 8.240 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.645 5.519 8.682 1.00 0.00 C ATOM 1047 C PRO A 73 -11.170 5.598 9.094 1.00 0.00 C ATOM 1048 O PRO A 73 -10.616 6.670 9.236 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.566 5.765 9.880 1.00 0.00 C ATOM 1050 CG PRO A 73 -13.980 4.373 10.409 1.00 0.00 C ATOM 1051 CD PRO A 73 -13.746 3.375 9.258 1.00 0.00 C ATOM 0 HA PRO A 73 -12.767 6.263 7.895 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.052 6.337 10.653 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.441 6.343 9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.390 4.100 11.284 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.026 4.371 10.717 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.172 2.511 9.591 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.688 2.998 8.861 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.523 4.481 9.287 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.089 4.515 9.683 1.00 0.00 C ATOM 1061 C GLU A 74 -8.214 4.246 8.459 1.00 0.00 C ATOM 1062 O GLU A 74 -7.056 4.609 8.417 1.00 0.00 O ATOM 1063 CB GLU A 74 -8.814 3.446 10.734 1.00 0.00 C ATOM 1064 CG GLU A 74 -9.924 3.455 11.787 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.508 2.597 12.985 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -8.512 1.899 12.874 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -10.191 2.653 13.993 1.00 0.00 O ATOM 0 H GLU A 74 -10.925 3.549 9.188 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.859 5.498 10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.756 2.465 10.262 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.850 3.629 11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.123 4.477 12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.849 3.072 11.357 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.758 3.610 7.465 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.966 3.317 6.241 1.00 0.00 C ATOM 1076 C PHE A 75 -8.339 4.349 5.170 1.00 0.00 C ATOM 1077 O PHE A 75 -7.590 5.269 4.884 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.301 1.905 5.755 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.043 1.209 5.301 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.514 1.489 4.038 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.411 0.278 6.134 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.356 0.844 3.603 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.247 -0.370 5.700 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.718 -0.086 4.434 1.00 0.00 C ATOM 0 H PHE A 75 -9.722 3.278 7.446 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.897 3.373 6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.773 1.337 6.557 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.017 1.953 4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.003 2.207 3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.820 0.060 7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.951 1.062 2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.758 -1.088 6.341 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.820 -0.583 4.099 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.507 4.230 4.593 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.917 5.224 3.569 1.00 0.00 C ATOM 1096 C TYR A 76 -10.190 6.559 4.258 1.00 0.00 C ATOM 1097 O TYR A 76 -10.195 7.589 3.632 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.180 4.756 2.844 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.346 5.564 1.577 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.266 5.718 0.697 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.578 6.159 1.281 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.418 6.466 -0.476 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.729 6.910 0.108 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.649 7.063 -0.770 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.798 7.802 -1.926 1.00 0.00 O ATOM 0 H TYR A 76 -10.186 3.494 4.787 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.117 5.335 2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.107 3.695 2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.051 4.880 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.315 5.259 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.412 6.039 1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.586 6.582 -1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.679 7.371 -0.119 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.714 8.146 -1.979 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.412 6.549 5.547 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.666 7.825 6.273 1.00 0.00 C ATOM 1117 C GLY A 77 -9.435 8.718 6.178 1.00 0.00 C ATOM 1118 O GLY A 77 -9.490 9.821 5.671 1.00 0.00 O ATOM 0 H GLY A 77 -10.428 5.710 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.531 8.333 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.900 7.621 7.318 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.321 8.249 6.668 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.081 9.074 6.616 1.00 0.00 C ATOM 1124 C LYS A 78 -6.688 9.319 5.164 1.00 0.00 C ATOM 1125 O LYS A 78 -5.893 10.182 4.865 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.956 8.358 7.372 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.504 7.716 8.661 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.587 8.604 9.301 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.452 8.565 10.823 1.00 0.00 C ATOM 1130 NZ LYS A 78 -6.697 9.764 11.289 1.00 0.00 N ATOM 0 H LYS A 78 -8.215 7.332 7.102 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.260 10.038 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.511 7.592 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.165 9.067 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.920 6.734 8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.690 7.561 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.488 9.629 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.577 8.257 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.439 8.542 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.935 7.656 11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.606 9.736 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.750 9.767 10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.207 10.626 11.010 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.247 8.571 4.265 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.938 8.756 2.833 1.00 0.00 C ATOM 1146 C PHE A 79 -7.771 9.902 2.269 1.00 0.00 C ATOM 1147 O PHE A 79 -7.307 10.661 1.459 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.291 7.468 2.112 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.141 7.608 0.610 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.120 8.286 -0.129 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.047 7.028 -0.051 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -8.008 8.380 -1.521 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.937 7.129 -1.438 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.917 7.799 -2.174 1.00 0.00 C ATOM 0 H PHE A 79 -7.916 7.828 4.467 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.883 8.994 2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.648 6.663 2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.317 7.186 2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.962 8.736 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.291 6.504 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.764 8.901 -2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.091 6.688 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.832 7.868 -3.248 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.997 10.031 2.683 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.837 11.125 2.156 1.00 0.00 C ATOM 1166 C LYS A 80 -9.417 12.440 2.801 1.00 0.00 C ATOM 1167 O LYS A 80 -9.799 13.508 2.364 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.306 10.844 2.473 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.930 10.023 1.341 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.040 10.834 0.668 1.00 0.00 C ATOM 1171 CE LYS A 80 -12.420 11.976 -0.140 1.00 0.00 C ATOM 1172 NZ LYS A 80 -13.386 12.435 -1.177 1.00 0.00 N ATOM 0 H LYS A 80 -9.450 9.423 3.365 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.710 11.192 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.388 10.303 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.847 11.782 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.167 9.755 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.335 9.091 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.630 10.191 0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.720 11.234 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.160 12.803 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.496 11.642 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.964 13.211 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.613 11.645 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.256 12.770 -0.717 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.616 12.376 3.828 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.162 13.641 4.475 1.00 0.00 C ATOM 1188 C GLU A 81 -6.789 13.983 3.917 1.00 0.00 C ATOM 1189 O GLU A 81 -6.497 15.114 3.593 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.098 13.482 6.000 1.00 0.00 C ATOM 1191 CG GLU A 81 -7.046 12.443 6.375 1.00 0.00 C ATOM 1192 CD GLU A 81 -7.008 12.285 7.897 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -7.971 11.774 8.443 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -6.017 12.678 8.489 1.00 0.00 O ATOM 0 H GLU A 81 -8.259 11.516 4.244 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.868 14.443 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.857 14.439 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.072 13.179 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.279 11.488 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.068 12.750 6.006 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.958 12.993 3.773 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.606 13.233 3.199 1.00 0.00 C ATOM 1203 C GLY A 82 -4.794 13.771 1.784 1.00 0.00 C ATOM 1204 O GLY A 82 -4.096 14.660 1.338 1.00 0.00 O ATOM 0 H GLY A 82 -6.156 12.025 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.052 13.946 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.027 12.310 3.184 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.749 13.228 1.082 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.024 13.684 -0.311 1.00 0.00 C ATOM 1210 C VAL A 83 -6.474 15.149 -0.304 1.00 0.00 C ATOM 1211 O VAL A 83 -6.089 15.930 -1.151 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.142 12.820 -0.902 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.488 13.303 -2.310 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.681 11.364 -0.965 1.00 0.00 C ATOM 0 H VAL A 83 -6.357 12.480 1.416 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.117 13.591 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.026 12.899 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.284 12.683 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.821 14.340 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.606 13.231 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.476 10.748 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.794 11.290 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.444 11.014 0.040 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.304 15.520 0.631 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.800 16.927 0.677 1.00 0.00 C ATOM 1226 C ALA A 84 -6.955 17.777 1.631 1.00 0.00 C ATOM 1227 O ALA A 84 -7.259 18.928 1.877 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.243 16.920 1.169 1.00 0.00 C ATOM 0 H ALA A 84 -7.661 14.910 1.366 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.732 17.356 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.619 17.942 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.857 16.333 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.286 16.480 2.165 1.00 0.00 H new ATOM 1234 N SER A 85 -5.908 17.231 2.178 1.00 0.00 N ATOM 1235 CA SER A 85 -5.068 18.025 3.121 1.00 0.00 C ATOM 1236 C SER A 85 -3.753 18.424 2.447 1.00 0.00 C ATOM 1237 O SER A 85 -3.147 19.419 2.793 1.00 0.00 O ATOM 1238 CB SER A 85 -4.764 17.186 4.362 1.00 0.00 C ATOM 1239 OG SER A 85 -3.868 16.140 4.013 1.00 0.00 O ATOM 0 H SER A 85 -5.596 16.274 2.016 1.00 0.00 H new ATOM 0 HA SER A 85 -5.611 18.926 3.407 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.326 17.812 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.686 16.770 4.769 1.00 0.00 H new ATOM 0 HG SER A 85 -3.424 15.807 4.821 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.304 17.659 1.491 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.024 18.001 0.807 1.00 0.00 C ATOM 1247 C GLY A 86 -0.856 17.373 1.570 1.00 0.00 C ATOM 1248 O GLY A 86 0.269 17.824 1.487 1.00 0.00 O ATOM 0 H GLY A 86 -3.766 16.814 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.039 17.637 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.902 19.083 0.760 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.116 16.333 2.314 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.025 15.674 3.085 1.00 0.00 C ATOM 1254 C ASN A 87 -0.556 14.373 3.688 1.00 0.00 C ATOM 1255 O ASN A 87 -1.026 14.341 4.807 1.00 0.00 O ATOM 1256 CB ASN A 87 0.445 16.605 4.205 1.00 0.00 C ATOM 1257 CG ASN A 87 -0.770 17.175 4.937 1.00 0.00 C ATOM 1258 OD1 ASN A 87 -1.387 18.114 4.474 1.00 0.00 O ATOM 1259 ND2 ASN A 87 -1.142 16.645 6.070 1.00 0.00 N ATOM 0 H ASN A 87 -2.038 15.911 2.421 1.00 0.00 H new ATOM 0 HA ASN A 87 0.814 15.457 2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.081 16.060 4.903 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.047 17.414 3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.951 17.019 6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.624 15.857 6.459 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.491 13.301 2.950 1.00 0.00 N ATOM 1267 CA LEU A 88 -0.998 12.004 3.474 1.00 0.00 C ATOM 1268 C LEU A 88 0.085 11.326 4.313 1.00 0.00 C ATOM 1269 O LEU A 88 1.175 11.074 3.845 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.377 11.098 2.303 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.420 10.083 2.768 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.417 9.826 1.643 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.726 8.772 3.145 1.00 0.00 C ATOM 0 H LEU A 88 -0.108 13.267 2.005 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.874 12.184 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.774 11.694 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.494 10.583 1.926 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.947 10.477 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.161 9.102 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.913 10.759 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.891 9.433 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.471 8.048 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.198 8.377 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.015 8.955 3.950 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.209 11.024 5.547 1.00 0.00 N ATOM 1286 CA ASN A 89 0.804 10.357 6.413 1.00 0.00 C ATOM 1287 C ASN A 89 0.097 9.690 7.593 1.00 0.00 C ATOM 1288 O ASN A 89 0.031 10.236 8.678 1.00 0.00 O ATOM 1289 CB ASN A 89 1.806 11.393 6.931 1.00 0.00 C ATOM 1290 CG ASN A 89 1.060 12.643 7.404 1.00 0.00 C ATOM 1291 OD1 ASN A 89 0.450 13.335 6.615 1.00 0.00 O ATOM 1292 ND2 ASN A 89 1.084 12.961 8.669 1.00 0.00 N ATOM 0 H ASN A 89 -1.107 11.210 5.994 1.00 0.00 H new ATOM 0 HA ASN A 89 1.338 9.604 5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.387 10.972 7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.512 11.656 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 89 0.590 13.791 8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.597 12.379 9.331 1.00 0.00 H new ATOM 1299 N THR A 90 -0.441 8.516 7.393 1.00 0.00 N ATOM 1300 CA THR A 90 -1.150 7.829 8.511 1.00 0.00 C ATOM 1301 C THR A 90 -0.509 6.465 8.782 1.00 0.00 C ATOM 1302 O THR A 90 0.083 5.860 7.911 1.00 0.00 O ATOM 1303 CB THR A 90 -2.622 7.634 8.142 1.00 0.00 C ATOM 1304 OG1 THR A 90 -3.291 6.983 9.214 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.731 6.781 6.876 1.00 0.00 C ATOM 0 H THR A 90 -0.420 8.006 6.510 1.00 0.00 H new ATOM 0 HA THR A 90 -1.075 8.444 9.408 1.00 0.00 H new ATOM 0 HB THR A 90 -3.082 8.605 7.958 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.215 6.012 9.105 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.781 6.645 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.217 7.281 6.055 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.272 5.808 7.052 1.00 0.00 H new ATOM 1313 N MET A 91 -0.636 5.975 9.986 1.00 0.00 N ATOM 1314 CA MET A 91 -0.049 4.648 10.325 1.00 0.00 C ATOM 1315 C MET A 91 -0.927 3.968 11.378 1.00 0.00 C ATOM 1316 O MET A 91 -1.405 4.598 12.301 1.00 0.00 O ATOM 1317 CB MET A 91 1.364 4.835 10.883 1.00 0.00 C ATOM 1318 CG MET A 91 2.004 3.463 11.121 1.00 0.00 C ATOM 1319 SD MET A 91 2.352 3.248 12.885 1.00 0.00 S ATOM 1320 CE MET A 91 3.022 1.570 12.779 1.00 0.00 C ATOM 0 H MET A 91 -1.123 6.440 10.752 1.00 0.00 H new ATOM 0 HA MET A 91 -0.001 4.030 9.428 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.969 5.414 10.185 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.327 5.398 11.816 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.336 2.675 10.774 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.926 3.376 10.546 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.308 1.229 13.774 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.265 0.901 12.370 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.897 1.568 12.129 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.144 2.689 11.250 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.991 1.976 12.250 1.00 0.00 C ATOM 1332 C PHE A 92 -1.761 0.470 12.152 1.00 0.00 C ATOM 1333 O PHE A 92 -0.927 0.001 11.407 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.474 2.277 11.993 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.777 2.206 10.511 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.561 3.324 9.698 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.286 1.026 9.951 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -3.853 3.264 8.329 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.579 0.967 8.582 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.362 2.084 7.771 1.00 0.00 C ATOM 0 H PHE A 92 -0.773 2.107 10.499 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.717 2.321 13.247 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.096 1.562 12.533 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.722 3.267 12.375 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.169 4.235 10.126 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.453 0.161 10.576 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.686 4.128 7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.973 0.057 8.153 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.586 2.038 6.716 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.508 -0.290 12.895 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.356 -1.770 12.841 1.00 0.00 C ATOM 1352 C GLU A 93 -3.630 -2.351 12.233 1.00 0.00 C ATOM 1353 O GLU A 93 -4.683 -2.334 12.840 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.144 -2.331 14.252 1.00 0.00 C ATOM 1355 CG GLU A 93 -3.064 -1.614 15.244 1.00 0.00 C ATOM 1356 CD GLU A 93 -3.438 -2.568 16.379 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -2.639 -3.438 16.681 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -4.517 -2.413 16.926 1.00 0.00 O ATOM 0 H GLU A 93 -3.221 0.049 13.541 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.490 -2.038 12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.349 -3.401 14.261 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.103 -2.203 14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.565 -0.732 15.646 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.964 -1.267 14.736 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.550 -2.840 11.029 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.767 -3.392 10.373 1.00 0.00 C ATOM 1367 C TYR A 94 -4.660 -4.911 10.263 1.00 0.00 C ATOM 1368 O TYR A 94 -3.690 -5.511 10.679 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.891 -2.786 8.974 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.324 -2.386 8.710 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.900 -1.325 9.423 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.074 -3.070 7.745 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.226 -0.950 9.170 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.398 -2.696 7.493 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.976 -1.636 8.205 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.281 -1.267 7.955 1.00 0.00 O ATOM 0 H TYR A 94 -2.697 -2.882 10.471 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.646 -3.144 10.968 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.240 -1.916 8.886 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.562 -3.507 8.226 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.322 -0.797 10.167 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.630 -3.887 7.195 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.670 -0.132 9.718 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.976 -3.225 6.749 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.497 -1.444 7.015 1.00 0.00 H new ATOM 1386 N THR A 95 -5.654 -5.533 9.697 1.00 0.00 N ATOM 1387 CA THR A 95 -5.625 -7.011 9.544 1.00 0.00 C ATOM 1388 C THR A 95 -6.404 -7.398 8.288 1.00 0.00 C ATOM 1389 O THR A 95 -7.615 -7.310 8.245 1.00 0.00 O ATOM 1390 CB THR A 95 -6.270 -7.671 10.763 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.700 -7.135 11.950 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.023 -9.178 10.706 1.00 0.00 C ATOM 0 H THR A 95 -6.490 -5.077 9.332 1.00 0.00 H new ATOM 0 HA THR A 95 -4.592 -7.347 9.459 1.00 0.00 H new ATOM 0 HB THR A 95 -7.343 -7.478 10.763 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.115 -7.557 12.731 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.481 -9.655 11.573 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.462 -9.584 9.795 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.950 -9.371 10.710 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.720 -7.825 7.264 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.429 -8.215 6.013 1.00 0.00 C ATOM 1402 C PHE A 96 -6.980 -9.634 6.164 1.00 0.00 C ATOM 1403 O PHE A 96 -6.306 -10.604 5.883 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.456 -8.170 4.827 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.803 -6.802 4.709 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.413 -5.662 5.259 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.583 -6.679 4.033 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.801 -4.409 5.133 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -2.973 -5.425 3.905 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.582 -4.289 4.456 1.00 0.00 C ATOM 0 H PHE A 96 -4.705 -7.921 7.238 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.248 -7.519 5.832 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.688 -8.934 4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.989 -8.403 3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.355 -5.752 5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.111 -7.553 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.270 -3.534 5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.033 -5.333 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.111 -3.322 4.358 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.200 -9.763 6.606 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.787 -11.119 6.772 1.00 0.00 C ATOM 1422 C ASP A 97 -9.795 -11.381 5.658 1.00 0.00 C ATOM 1423 O ASP A 97 -10.685 -12.197 5.790 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.488 -11.213 8.129 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.645 -12.683 8.520 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -8.780 -13.466 8.163 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.627 -13.001 9.171 1.00 0.00 O ATOM 0 H ASP A 97 -8.814 -8.989 6.859 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.992 -11.864 6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.910 -10.684 8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.465 -10.732 8.080 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.652 -10.710 4.551 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.590 -10.940 3.421 1.00 0.00 C ATOM 1434 C TYR A 98 -10.150 -12.231 2.724 1.00 0.00 C ATOM 1435 O TYR A 98 -8.998 -12.583 2.819 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.532 -9.723 2.460 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.565 -9.969 1.314 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.248 -10.376 1.577 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -10.001 -9.821 -0.004 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.369 -10.632 0.520 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -9.123 -10.070 -1.063 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.806 -10.478 -0.802 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.943 -10.730 -1.849 1.00 0.00 O ATOM 0 H TYR A 98 -8.927 -10.013 4.380 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.621 -11.044 3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.527 -9.523 2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.226 -8.835 3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.913 -10.492 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.017 -9.514 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.356 -10.948 0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -9.458 -9.948 -2.082 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.041 -10.431 -1.609 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.057 -12.906 2.032 1.00 0.00 N ATOM 1454 CA GLN A 99 -10.749 -14.199 1.290 1.00 0.00 C ATOM 1455 C GLN A 99 -9.283 -14.624 1.444 1.00 0.00 C ATOM 1456 O GLN A 99 -8.516 -14.614 0.502 1.00 0.00 O ATOM 1457 CB GLN A 99 -11.055 -14.011 -0.199 1.00 0.00 C ATOM 1458 CG GLN A 99 -10.476 -12.679 -0.675 1.00 0.00 C ATOM 1459 CD GLN A 99 -9.604 -12.911 -1.912 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -8.464 -13.316 -1.798 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -10.096 -12.671 -3.097 1.00 0.00 N ATOM 0 H GLN A 99 -12.028 -12.607 1.947 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.372 -14.982 1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.628 -14.832 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.132 -14.031 -0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.282 -11.984 -0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.885 -12.223 0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.053 -12.331 -3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.524 -12.823 -3.927 1.00 0.00 H new ATOM 1470 N MET A 100 -8.887 -14.960 2.639 1.00 0.00 N ATOM 1471 CA MET A 100 -7.471 -15.344 2.880 1.00 0.00 C ATOM 1472 C MET A 100 -7.264 -15.582 4.377 1.00 0.00 C ATOM 1473 O MET A 100 -8.072 -15.188 5.194 1.00 0.00 O ATOM 1474 CB MET A 100 -6.551 -14.200 2.427 1.00 0.00 C ATOM 1475 CG MET A 100 -5.442 -14.760 1.534 1.00 0.00 C ATOM 1476 SD MET A 100 -3.949 -15.031 2.522 1.00 0.00 S ATOM 1477 CE MET A 100 -3.571 -13.291 2.841 1.00 0.00 C ATOM 0 H MET A 100 -9.487 -14.985 3.463 1.00 0.00 H new ATOM 0 HA MET A 100 -7.237 -16.251 2.322 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.126 -13.450 1.884 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.118 -13.702 3.295 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.765 -15.697 1.079 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.231 -14.067 0.720 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.507 -13.115 2.685 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.146 -12.663 2.161 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.832 -13.045 3.870 1.00 0.00 H new ATOM 1487 N THR A 101 -6.183 -16.213 4.743 1.00 0.00 N ATOM 1488 CA THR A 101 -5.925 -16.458 6.194 1.00 0.00 C ATOM 1489 C THR A 101 -5.903 -15.109 6.930 1.00 0.00 C ATOM 1490 O THR A 101 -6.000 -14.074 6.300 1.00 0.00 O ATOM 1491 CB THR A 101 -4.572 -17.165 6.381 1.00 0.00 C ATOM 1492 OG1 THR A 101 -3.914 -17.302 5.129 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.800 -18.549 6.988 1.00 0.00 C ATOM 0 H THR A 101 -5.470 -16.569 4.106 1.00 0.00 H new ATOM 0 HA THR A 101 -6.713 -17.094 6.599 1.00 0.00 H new ATOM 0 HB THR A 101 -3.949 -16.568 7.047 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.053 -17.752 5.259 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.841 -19.051 7.121 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.292 -18.446 7.955 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.429 -19.139 6.322 1.00 0.00 H new ATOM 1501 N PRO A 102 -5.774 -15.145 8.241 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.736 -13.915 9.053 1.00 0.00 C ATOM 1503 C PRO A 102 -4.362 -13.252 8.926 1.00 0.00 C ATOM 1504 O PRO A 102 -3.376 -13.741 9.440 1.00 0.00 O ATOM 1505 CB PRO A 102 -5.990 -14.412 10.479 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.603 -15.910 10.495 1.00 0.00 C ATOM 1507 CD PRO A 102 -5.648 -16.392 9.032 1.00 0.00 C ATOM 0 HA PRO A 102 -6.465 -13.165 8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.395 -13.849 11.198 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.036 -14.278 10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.608 -16.049 10.918 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.295 -16.482 11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.745 -16.942 8.766 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.492 -17.060 8.859 1.00 0.00 H new ATOM 1515 N THR A 103 -4.290 -12.154 8.227 1.00 0.00 N ATOM 1516 CA THR A 103 -2.978 -11.473 8.046 1.00 0.00 C ATOM 1517 C THR A 103 -2.943 -10.164 8.840 1.00 0.00 C ATOM 1518 O THR A 103 -3.729 -9.268 8.620 1.00 0.00 O ATOM 1519 CB THR A 103 -2.767 -11.178 6.547 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.414 -12.383 5.880 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.650 -10.136 6.344 1.00 0.00 C ATOM 0 H THR A 103 -5.082 -11.699 7.774 1.00 0.00 H new ATOM 0 HA THR A 103 -2.183 -12.122 8.412 1.00 0.00 H new ATOM 0 HB THR A 103 -3.693 -10.776 6.136 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.718 -12.197 5.215 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.520 -9.945 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.921 -9.209 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.717 -10.516 6.761 1.00 0.00 H new ATOM 1529 N LYS A 104 -1.994 -10.032 9.719 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.856 -8.764 10.478 1.00 0.00 C ATOM 1531 C LYS A 104 -0.698 -8.007 9.839 1.00 0.00 C ATOM 1532 O LYS A 104 0.244 -8.614 9.369 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.538 -9.058 11.947 1.00 0.00 C ATOM 1534 CG LYS A 104 -2.221 -8.014 12.831 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.234 -8.497 14.283 1.00 0.00 C ATOM 1536 CE LYS A 104 -2.138 -7.291 15.220 1.00 0.00 C ATOM 1537 NZ LYS A 104 -3.504 -6.896 15.665 1.00 0.00 N ATOM 0 H LYS A 104 -1.306 -10.750 9.945 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.779 -8.184 10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.882 -10.057 12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.460 -9.039 12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.695 -7.062 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.240 -7.842 12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.148 -9.056 14.484 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.400 -9.176 14.460 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.520 -7.536 16.083 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.656 -6.458 14.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.438 -6.076 16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.080 -6.645 14.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.948 -7.690 16.168 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.749 -6.705 9.775 1.00 0.00 N ATOM 1552 CA VAL A 105 0.372 -5.981 9.115 1.00 0.00 C ATOM 1553 C VAL A 105 0.549 -4.573 9.678 1.00 0.00 C ATOM 1554 O VAL A 105 -0.409 -3.871 9.954 1.00 0.00 O ATOM 1555 CB VAL A 105 0.063 -5.838 7.615 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.160 -7.221 6.998 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.200 -4.982 7.421 1.00 0.00 C ATOM 0 H VAL A 105 -1.501 -6.122 10.142 1.00 0.00 H new ATOM 0 HA VAL A 105 1.281 -6.555 9.292 1.00 0.00 H new ATOM 0 HB VAL A 105 0.907 -5.353 7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.379 -7.114 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.738 -7.825 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.999 -7.710 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.413 -4.884 6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.044 -5.461 7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.039 -3.993 7.851 1.00 0.00 H new ATOM 1567 N LYS A 106 1.769 -4.123 9.742 1.00 0.00 N ATOM 1568 CA LYS A 106 2.015 -2.727 10.157 1.00 0.00 C ATOM 1569 C LYS A 106 1.672 -1.941 8.914 1.00 0.00 C ATOM 1570 O LYS A 106 2.281 -2.150 7.902 1.00 0.00 O ATOM 1571 CB LYS A 106 3.504 -2.492 10.444 1.00 0.00 C ATOM 1572 CG LYS A 106 3.848 -2.797 11.891 1.00 0.00 C ATOM 1573 CD LYS A 106 4.402 -4.221 11.986 1.00 0.00 C ATOM 1574 CE LYS A 106 5.180 -4.390 13.295 1.00 0.00 C ATOM 1575 NZ LYS A 106 5.736 -5.774 13.373 1.00 0.00 N ATOM 0 H LYS A 106 2.604 -4.667 9.523 1.00 0.00 H new ATOM 0 HA LYS A 106 1.452 -2.462 11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.106 -3.119 9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.760 -1.457 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.583 -2.082 12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.962 -2.696 12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.586 -4.942 11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.054 -4.425 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.987 -3.660 13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.525 -4.202 14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.410 -6.230 14.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 5.411 -6.325 12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.775 -5.731 13.371 1.00 0.00 H new ATOM 1589 N VAL A 107 0.698 -1.097 8.929 1.00 0.00 N ATOM 1590 CA VAL A 107 0.374 -0.386 7.664 1.00 0.00 C ATOM 1591 C VAL A 107 0.928 1.034 7.714 1.00 0.00 C ATOM 1592 O VAL A 107 1.018 1.641 8.763 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.141 -0.300 7.499 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.751 -1.687 7.395 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.713 0.423 8.710 1.00 0.00 C ATOM 0 H VAL A 107 0.119 -0.866 9.737 1.00 0.00 H new ATOM 0 HA VAL A 107 0.816 -0.933 6.831 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.377 0.242 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.831 -1.602 7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.332 -2.205 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.528 -2.252 8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.796 0.496 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.467 -0.132 9.615 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.286 1.424 8.771 1.00 0.00 H new ATOM 1605 N HIS A 108 1.255 1.581 6.583 1.00 0.00 N ATOM 1606 CA HIS A 108 1.756 2.980 6.561 1.00 0.00 C ATOM 1607 C HIS A 108 1.471 3.564 5.189 1.00 0.00 C ATOM 1608 O HIS A 108 2.126 3.248 4.225 1.00 0.00 O ATOM 1609 CB HIS A 108 3.256 3.025 6.851 1.00 0.00 C ATOM 1610 CG HIS A 108 3.569 4.338 7.512 1.00 0.00 C ATOM 1611 ND1 HIS A 108 4.582 4.483 8.446 1.00 0.00 N ATOM 1612 CD2 HIS A 108 2.995 5.577 7.384 1.00 0.00 C ATOM 1613 CE1 HIS A 108 4.588 5.770 8.840 1.00 0.00 C ATOM 1614 NE2 HIS A 108 3.640 6.482 8.222 1.00 0.00 N ATOM 0 H HIS A 108 1.198 1.123 5.674 1.00 0.00 H new ATOM 0 HA HIS A 108 1.252 3.562 7.333 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.543 2.196 7.498 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.825 2.920 5.927 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.168 5.815 6.732 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.275 6.178 9.567 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.434 7.474 8.339 1.00 0.00 H new ATOM 1622 N MET A 109 0.475 4.392 5.090 1.00 0.00 N ATOM 1623 CA MET A 109 0.118 4.973 3.765 1.00 0.00 C ATOM 1624 C MET A 109 0.568 6.436 3.715 1.00 0.00 C ATOM 1625 O MET A 109 0.417 7.158 4.680 1.00 0.00 O ATOM 1626 CB MET A 109 -1.409 4.913 3.570 1.00 0.00 C ATOM 1627 CG MET A 109 -2.011 3.631 4.190 1.00 0.00 C ATOM 1628 SD MET A 109 -3.506 4.063 5.117 1.00 0.00 S ATOM 1629 CE MET A 109 -4.676 3.940 3.743 1.00 0.00 C ATOM 0 H MET A 109 -0.110 4.694 5.869 1.00 0.00 H new ATOM 0 HA MET A 109 0.612 4.405 2.977 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.869 5.789 4.026 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.642 4.948 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.250 2.911 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.285 3.156 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.693 3.906 4.133 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.566 4.808 3.093 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.475 3.032 3.174 1.00 0.00 H new ATOM 1639 N LYS A 110 1.113 6.901 2.609 1.00 0.00 N ATOM 1640 CA LYS A 110 1.537 8.332 2.571 1.00 0.00 C ATOM 1641 C LYS A 110 1.139 8.945 1.232 1.00 0.00 C ATOM 1642 O LYS A 110 0.249 8.467 0.561 1.00 0.00 O ATOM 1643 CB LYS A 110 3.053 8.434 2.753 1.00 0.00 C ATOM 1644 CG LYS A 110 3.389 9.602 3.684 1.00 0.00 C ATOM 1645 CD LYS A 110 4.875 9.561 4.043 1.00 0.00 C ATOM 1646 CE LYS A 110 5.070 8.756 5.328 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.132 9.393 6.157 1.00 0.00 N ATOM 0 H LYS A 110 1.277 6.365 1.757 1.00 0.00 H new ATOM 0 HA LYS A 110 1.045 8.872 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.442 7.504 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.535 8.578 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.148 10.548 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.784 9.544 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.444 9.110 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.256 10.574 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.135 8.711 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.348 7.730 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.265 8.846 7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.024 9.414 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.849 10.365 6.397 1.00 0.00 H new ATOM 1661 N LYS A 111 1.788 10.000 0.842 1.00 0.00 N ATOM 1662 CA LYS A 111 1.446 10.642 -0.456 1.00 0.00 C ATOM 1663 C LYS A 111 2.534 10.309 -1.478 1.00 0.00 C ATOM 1664 O LYS A 111 3.712 10.324 -1.174 1.00 0.00 O ATOM 1665 CB LYS A 111 1.346 12.158 -0.268 1.00 0.00 C ATOM 1666 CG LYS A 111 2.713 12.719 0.142 1.00 0.00 C ATOM 1667 CD LYS A 111 2.521 13.894 1.103 1.00 0.00 C ATOM 1668 CE LYS A 111 3.814 14.709 1.176 1.00 0.00 C ATOM 1669 NZ LYS A 111 3.498 16.109 1.576 1.00 0.00 N ATOM 0 H LYS A 111 2.541 10.448 1.364 1.00 0.00 H new ATOM 0 HA LYS A 111 0.487 10.268 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.012 12.628 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.603 12.391 0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.308 11.940 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.263 13.045 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.699 14.525 0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.253 13.527 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.499 14.260 1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.317 14.701 0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.377 16.663 1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.860 16.535 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.037 16.108 2.508 1.00 0.00 H new ATOM 1683 N ALA A 112 2.152 9.999 -2.683 1.00 0.00 N ATOM 1684 CA ALA A 112 3.161 9.652 -3.719 1.00 0.00 C ATOM 1685 C ALA A 112 3.436 10.862 -4.608 1.00 0.00 C ATOM 1686 O ALA A 112 2.880 11.925 -4.419 1.00 0.00 O ATOM 1687 CB ALA A 112 2.628 8.515 -4.576 1.00 0.00 C ATOM 0 H ALA A 112 1.182 9.971 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 112 4.086 9.349 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.364 8.257 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.435 7.645 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.701 8.826 -5.058 1.00 0.00 H new ATOM 1693 N LEU A 113 4.291 10.707 -5.581 1.00 0.00 N ATOM 1694 CA LEU A 113 4.604 11.852 -6.479 1.00 0.00 C ATOM 1695 C LEU A 113 5.153 13.001 -5.633 1.00 0.00 C ATOM 1696 O LEU A 113 5.053 14.156 -5.994 1.00 0.00 O ATOM 1697 CB LEU A 113 3.330 12.305 -7.196 1.00 0.00 C ATOM 1698 CG LEU A 113 3.617 12.488 -8.687 1.00 0.00 C ATOM 1699 CD1 LEU A 113 3.669 11.121 -9.369 1.00 0.00 C ATOM 1700 CD2 LEU A 113 2.505 13.328 -9.319 1.00 0.00 C ATOM 0 H LEU A 113 4.785 9.840 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 113 5.342 11.551 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.540 11.567 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.972 13.241 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 113 4.574 12.994 -8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 113 3.874 11.252 -10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.459 10.520 -8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.712 10.615 -9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.708 13.460 -10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.549 12.820 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.465 14.303 -8.834 1.00 0.00 H new ATOM 1742 N SER A 117 -0.044 11.711 -5.295 1.00 0.00 N ATOM 1743 CA SER A 117 -0.763 10.406 -5.340 1.00 0.00 C ATOM 1744 C SER A 117 -0.995 9.897 -3.914 1.00 0.00 C ATOM 1745 O SER A 117 -0.901 10.639 -2.957 1.00 0.00 O ATOM 1746 CB SER A 117 0.069 9.388 -6.121 1.00 0.00 C ATOM 1747 OG SER A 117 -0.694 8.901 -7.219 1.00 0.00 O ATOM 0 HA SER A 117 -1.725 10.541 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.989 9.851 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.360 8.563 -5.471 1.00 0.00 H new ATOM 0 HG SER A 117 -1.518 8.487 -6.887 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.310 8.637 -3.767 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.566 8.074 -2.403 1.00 0.00 C ATOM 1755 C TYR A 118 -1.119 6.615 -2.383 1.00 0.00 C ATOM 1756 O TYR A 118 -1.575 5.820 -3.182 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.072 8.141 -2.112 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.611 9.453 -2.585 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.338 10.628 -1.881 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.386 9.486 -3.742 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.847 11.842 -2.342 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.893 10.691 -4.205 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.628 11.878 -3.507 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.131 13.079 -3.966 1.00 0.00 O ATOM 0 H TYR A 118 -1.402 7.970 -4.533 1.00 0.00 H new ATOM 0 HA TYR A 118 -1.018 8.643 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.587 7.322 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.253 8.025 -1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.736 10.597 -0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.592 8.572 -4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.640 12.754 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.492 10.715 -5.103 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.824 13.806 -3.385 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.230 6.242 -1.496 1.00 0.00 N ATOM 1775 CA TRP A 119 0.209 4.824 -1.490 1.00 0.00 C ATOM 1776 C TRP A 119 0.081 4.172 -0.121 1.00 0.00 C ATOM 1777 O TRP A 119 0.224 4.788 0.905 1.00 0.00 O ATOM 1778 CB TRP A 119 1.624 4.699 -2.050 1.00 0.00 C ATOM 1779 CG TRP A 119 2.589 5.627 -1.404 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.125 6.707 -1.976 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.185 5.517 -0.109 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.030 7.280 -1.110 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.103 6.569 0.073 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.002 4.605 0.902 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.835 6.693 1.251 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.730 4.709 2.098 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.649 5.753 2.270 1.00 0.00 C ATOM 0 H TRP A 119 0.199 6.845 -0.794 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.467 4.274 -2.144 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.971 3.674 -1.919 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.603 4.894 -3.122 1.00 0.00 H new ATOM 0 HD1 TRP A 119 2.887 7.074 -2.963 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.574 8.118 -1.315 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.292 3.801 0.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.537 7.504 1.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.582 3.985 2.885 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.213 5.832 3.188 1.00 0.00 H new ATOM 1798 N VAL A 120 -0.225 2.903 -0.130 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.405 2.139 1.137 1.00 0.00 C ATOM 1800 C VAL A 120 0.625 1.009 1.207 1.00 0.00 C ATOM 1801 O VAL A 120 0.541 0.038 0.479 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.811 1.524 1.165 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -2.005 0.745 2.468 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.858 2.633 1.067 1.00 0.00 C ATOM 0 H VAL A 120 -0.360 2.354 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.273 2.813 1.983 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.926 0.845 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.004 0.309 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.261 -0.049 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.888 1.420 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.856 2.194 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.745 3.316 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.721 3.181 0.135 1.00 0.00 H new ATOM 1814 N PHE A 121 1.582 1.107 2.088 1.00 0.00 N ATOM 1815 CA PHE A 121 2.587 0.016 2.209 1.00 0.00 C ATOM 1816 C PHE A 121 2.147 -0.919 3.317 1.00 0.00 C ATOM 1817 O PHE A 121 1.752 -0.486 4.378 1.00 0.00 O ATOM 1818 CB PHE A 121 3.983 0.585 2.534 1.00 0.00 C ATOM 1819 CG PHE A 121 4.416 1.573 1.461 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.724 1.656 0.239 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.507 2.419 1.696 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.117 2.580 -0.732 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.897 3.345 0.722 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.200 3.428 -0.488 1.00 0.00 C ATOM 0 H PHE A 121 1.711 1.892 2.726 1.00 0.00 H new ATOM 0 HA PHE A 121 2.654 -0.518 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 121 3.964 1.079 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.707 -0.227 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 121 2.885 1.002 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.047 2.357 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.585 2.639 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.738 3.997 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.500 4.149 -1.235 1.00 0.00 H new ATOM 1834 N VAL A 122 2.184 -2.197 3.083 1.00 0.00 N ATOM 1835 CA VAL A 122 1.758 -3.132 4.142 1.00 0.00 C ATOM 1836 C VAL A 122 2.944 -3.989 4.573 1.00 0.00 C ATOM 1837 O VAL A 122 3.432 -4.827 3.841 1.00 0.00 O ATOM 1838 CB VAL A 122 0.598 -4.001 3.622 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.662 -5.432 4.178 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.704 -3.365 4.075 1.00 0.00 C ATOM 0 H VAL A 122 2.489 -2.628 2.210 1.00 0.00 H new ATOM 0 HA VAL A 122 1.406 -2.578 5.012 1.00 0.00 H new ATOM 0 HB VAL A 122 0.666 -4.058 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.174 -6.012 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.600 -5.898 3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.605 -5.402 5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.544 -3.962 3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.727 -3.319 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.777 -2.357 3.668 1.00 0.00 H new ATOM 1850 N LYS A 123 3.363 -3.802 5.777 1.00 0.00 N ATOM 1851 CA LYS A 123 4.480 -4.610 6.325 1.00 0.00 C ATOM 1852 C LYS A 123 3.864 -5.842 6.976 1.00 0.00 C ATOM 1853 O LYS A 123 2.920 -5.738 7.721 1.00 0.00 O ATOM 1854 CB LYS A 123 5.225 -3.774 7.367 1.00 0.00 C ATOM 1855 CG LYS A 123 6.709 -4.138 7.378 1.00 0.00 C ATOM 1856 CD LYS A 123 7.353 -3.755 6.044 1.00 0.00 C ATOM 1857 CE LYS A 123 8.764 -3.207 6.292 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.648 -4.305 6.776 1.00 0.00 N ATOM 0 H LYS A 123 2.976 -3.113 6.422 1.00 0.00 H new ATOM 0 HA LYS A 123 5.184 -4.907 5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.106 -2.714 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.795 -3.944 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.212 -3.622 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.828 -5.207 7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.400 -4.625 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.745 -3.006 5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.166 -2.781 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.729 -2.403 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.949 -4.104 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.128 -5.205 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.485 -4.373 6.162 1.00 0.00 H new ATOM 1872 N ARG A 124 4.354 -7.012 6.690 1.00 0.00 N ATOM 1873 CA ARG A 124 3.728 -8.219 7.307 1.00 0.00 C ATOM 1874 C ARG A 124 4.241 -8.387 8.738 1.00 0.00 C ATOM 1875 O ARG A 124 5.429 -8.460 8.987 1.00 0.00 O ATOM 1876 CB ARG A 124 4.047 -9.462 6.462 1.00 0.00 C ATOM 1877 CG ARG A 124 3.566 -10.726 7.183 1.00 0.00 C ATOM 1878 CD ARG A 124 2.870 -11.646 6.180 1.00 0.00 C ATOM 1879 NE ARG A 124 3.073 -13.069 6.577 1.00 0.00 N ATOM 1880 CZ ARG A 124 2.611 -13.506 7.717 1.00 0.00 C ATOM 1881 NH1 ARG A 124 1.565 -12.942 8.261 1.00 0.00 N ATOM 1882 NH2 ARG A 124 3.191 -14.511 8.313 1.00 0.00 N ATOM 0 H ARG A 124 5.144 -7.188 6.070 1.00 0.00 H new ATOM 0 HA ARG A 124 2.646 -8.095 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.564 -9.383 5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.120 -9.523 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.411 -11.241 7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.880 -10.461 7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.805 -11.418 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.269 -11.477 5.180 1.00 0.00 H new ATOM 0 HE ARG A 124 3.575 -13.703 5.955 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.108 -12.159 7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 124 1.206 -13.285 9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 124 4.005 -14.955 7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.830 -14.853 9.204 1.00 0.00 H new ATOM 1896 N VAL A 125 3.339 -8.439 9.680 1.00 0.00 N ATOM 1897 CA VAL A 125 3.741 -8.592 11.104 1.00 0.00 C ATOM 1898 C VAL A 125 4.066 -10.059 11.391 1.00 0.00 C ATOM 1899 O VAL A 125 3.170 -10.878 11.268 1.00 0.00 O ATOM 1900 CB VAL A 125 2.588 -8.144 12.003 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.101 -7.956 13.419 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.022 -6.815 11.507 1.00 0.00 C ATOM 1903 OXT VAL A 125 5.202 -10.337 11.736 1.00 0.00 O ATOM 0 H VAL A 125 2.333 -8.381 9.521 1.00 0.00 H new ATOM 0 HA VAL A 125 4.622 -7.981 11.301 1.00 0.00 H new ATOM 0 HB VAL A 125 1.806 -8.903 11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.282 -7.637 14.063 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.506 -8.899 13.787 1.00 0.00 H new ATOM 0 HG13 VAL A 125 3.884 -7.198 13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.201 -6.505 12.154 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.805 -6.057 11.525 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.655 -6.934 10.487 1.00 0.00 H new