USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 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 3 HIS : no HD1:sc= -4.97! C(o=-4.6!,f=-17!) USER MOD Set 1.2: A 81 THR OG1 : rot -66:sc= 0.318 USER MOD Set 2.1: A 68 SER OG : rot 171:sc= 1.12 USER MOD Set 2.2: A 71 SER OG : rot 90:sc= 1.12 USER MOD Single : A 1 MET CE :methyl 174:sc= -2.62 (180deg=-2.7) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.315 (180deg=-0.351) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 5 SER OG : rot 170:sc= -0.259 USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.14) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -6.67! C(o=-6.7!,f=-9.9!) USER MOD Single : A 80 THR OG1 : rot 170:sc= 0.221 USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -9.83! (180deg=-11.4!) USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.168 13.104 0.805 1.00 0.00 N ATOM 2 CA MET A 1 0.296 12.015 1.815 1.00 0.00 C ATOM 3 C MET A 1 -0.890 12.069 2.776 1.00 0.00 C ATOM 4 O MET A 1 -0.748 11.871 3.966 1.00 0.00 O ATOM 5 CB MET A 1 1.597 12.198 2.598 1.00 0.00 C ATOM 6 CG MET A 1 2.785 12.001 1.657 1.00 0.00 C ATOM 7 SD MET A 1 4.323 12.035 2.611 1.00 0.00 S ATOM 8 CE MET A 1 5.461 11.926 1.210 1.00 0.00 C ATOM 0 H1 MET A 1 0.948 13.036 0.120 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.740 13.010 0.306 1.00 0.00 H new ATOM 0 H3 MET A 1 0.206 14.027 1.283 1.00 0.00 H new ATOM 0 HA MET A 1 0.309 11.049 1.309 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.631 13.193 3.042 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.645 11.482 3.418 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.692 11.051 1.131 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.797 12.785 0.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.486 12.038 1.564 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.349 10.956 0.725 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.235 12.718 0.495 1.00 0.00 H new ATOM 20 N GLN A 2 -2.060 12.336 2.268 1.00 0.00 N ATOM 21 CA GLN A 2 -3.257 12.405 3.152 1.00 0.00 C ATOM 22 C GLN A 2 -3.457 11.056 3.848 1.00 0.00 C ATOM 23 O GLN A 2 -3.834 10.993 5.001 1.00 0.00 O ATOM 24 CB GLN A 2 -4.492 12.730 2.311 1.00 0.00 C ATOM 25 CG GLN A 2 -4.328 14.112 1.674 1.00 0.00 C ATOM 26 CD GLN A 2 -5.613 14.491 0.936 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.604 13.642 0.898 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -5.717 15.570 0.388 1.00 0.00 N flip ATOM 0 H GLN A 2 -2.240 12.509 1.279 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.110 13.183 3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.627 11.975 1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.385 12.709 2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.105 14.853 2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.486 14.107 0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.943 16.234 0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.578 15.812 -0.102 1.00 0.00 H new ATOM 37 N HIS A 3 -3.211 9.978 3.153 1.00 0.00 N ATOM 38 CA HIS A 3 -3.390 8.633 3.771 1.00 0.00 C ATOM 39 C HIS A 3 -2.176 7.759 3.447 1.00 0.00 C ATOM 40 O HIS A 3 -2.197 6.558 3.634 1.00 0.00 O ATOM 41 CB HIS A 3 -4.654 7.981 3.208 1.00 0.00 C ATOM 42 CG HIS A 3 -5.781 8.977 3.234 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.219 9.571 4.410 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.567 9.498 2.236 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.225 10.407 4.092 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.474 10.398 2.782 1.00 0.00 N ATOM 0 H HIS A 3 -2.894 9.971 2.184 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.484 8.736 4.852 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.478 7.641 2.188 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.917 7.102 3.797 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.492 9.247 1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.763 11.010 4.808 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.182 10.939 2.285 1.00 0.00 H new ATOM 55 N ALA A 4 -1.123 8.350 2.954 1.00 0.00 N ATOM 56 CA ALA A 4 0.087 7.553 2.607 1.00 0.00 C ATOM 57 C ALA A 4 0.631 6.855 3.855 1.00 0.00 C ATOM 58 O ALA A 4 1.131 5.749 3.787 1.00 0.00 O ATOM 59 CB ALA A 4 1.162 8.482 2.040 1.00 0.00 C ATOM 0 H ALA A 4 -1.048 9.352 2.776 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.183 6.802 1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.048 7.900 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.782 8.975 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.423 9.234 2.785 1.00 0.00 H new ATOM 65 N SER A 5 0.547 7.487 4.993 1.00 0.00 N ATOM 66 CA SER A 5 1.074 6.845 6.230 1.00 0.00 C ATOM 67 C SER A 5 0.308 5.551 6.502 1.00 0.00 C ATOM 68 O SER A 5 0.870 4.570 6.947 1.00 0.00 O ATOM 69 CB SER A 5 0.904 7.799 7.413 1.00 0.00 C ATOM 70 OG SER A 5 -0.481 7.955 7.695 1.00 0.00 O ATOM 0 H SER A 5 0.139 8.413 5.120 1.00 0.00 H new ATOM 0 HA SER A 5 2.132 6.617 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.423 7.408 8.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.351 8.766 7.183 1.00 0.00 H new ATOM 0 HG SER A 5 -0.590 8.431 8.544 1.00 0.00 H new ATOM 76 N VAL A 6 -0.966 5.533 6.226 1.00 0.00 N ATOM 77 CA VAL A 6 -1.758 4.293 6.459 1.00 0.00 C ATOM 78 C VAL A 6 -1.270 3.206 5.503 1.00 0.00 C ATOM 79 O VAL A 6 -1.205 2.041 5.841 1.00 0.00 O ATOM 80 CB VAL A 6 -3.237 4.573 6.202 1.00 0.00 C ATOM 81 CG1 VAL A 6 -4.026 3.265 6.275 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.765 5.546 7.258 1.00 0.00 C ATOM 0 H VAL A 6 -1.492 6.322 5.850 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.631 3.963 7.490 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.354 5.013 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.081 3.466 6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.652 2.572 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.908 2.823 7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.821 5.745 7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.646 5.107 8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.205 6.480 7.205 1.00 0.00 H new ATOM 92 N ILE A 7 -0.935 3.584 4.303 1.00 0.00 N ATOM 93 CA ILE A 7 -0.454 2.588 3.309 1.00 0.00 C ATOM 94 C ILE A 7 0.893 2.007 3.747 1.00 0.00 C ATOM 95 O ILE A 7 1.140 0.825 3.619 1.00 0.00 O ATOM 96 CB ILE A 7 -0.292 3.277 1.955 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.645 3.839 1.508 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.208 2.267 0.921 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.460 4.661 0.232 1.00 0.00 C ATOM 0 H ILE A 7 -0.974 4.546 3.966 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.179 1.777 3.234 1.00 0.00 H new ATOM 0 HB ILE A 7 0.430 4.089 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.348 3.025 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.070 4.461 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.323 2.761 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.170 1.866 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.512 1.454 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.423 5.061 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.772 5.484 0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.053 4.025 -0.555 1.00 0.00 H new ATOM 111 N ALA A 8 1.776 2.829 4.245 1.00 0.00 N ATOM 112 CA ALA A 8 3.111 2.316 4.666 1.00 0.00 C ATOM 113 C ALA A 8 2.961 1.328 5.822 1.00 0.00 C ATOM 114 O ALA A 8 3.488 0.233 5.786 1.00 0.00 O ATOM 115 CB ALA A 8 3.986 3.487 5.114 1.00 0.00 C ATOM 0 H ALA A 8 1.632 3.830 4.378 1.00 0.00 H new ATOM 0 HA ALA A 8 3.575 1.806 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.963 3.114 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.109 4.186 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.511 3.996 5.952 1.00 0.00 H new ATOM 121 N GLN A 9 2.249 1.698 6.848 1.00 0.00 N ATOM 122 CA GLN A 9 2.073 0.766 7.997 1.00 0.00 C ATOM 123 C GLN A 9 1.173 -0.397 7.581 1.00 0.00 C ATOM 124 O GLN A 9 1.451 -1.542 7.868 1.00 0.00 O ATOM 125 CB GLN A 9 1.455 1.505 9.191 1.00 0.00 C ATOM 126 CG GLN A 9 0.292 2.381 8.722 1.00 0.00 C ATOM 127 CD GLN A 9 -0.973 2.004 9.496 1.00 0.00 C ATOM 128 OE1 GLN A 9 -1.489 0.816 9.338 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 -1.495 2.798 10.253 1.00 0.00 N flip ATOM 0 H GLN A 9 1.783 2.600 6.942 1.00 0.00 H new ATOM 0 HA GLN A 9 3.048 0.379 8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.104 0.786 9.931 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.211 2.121 9.678 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.528 3.433 8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.130 2.248 7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.091 3.727 10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.337 2.536 10.766 1.00 0.00 H new ATOM 138 N PHE A 10 0.101 -0.112 6.897 1.00 0.00 N ATOM 139 CA PHE A 10 -0.817 -1.200 6.458 1.00 0.00 C ATOM 140 C PHE A 10 -0.059 -2.173 5.558 1.00 0.00 C ATOM 141 O PHE A 10 -0.117 -3.375 5.731 1.00 0.00 O ATOM 142 CB PHE A 10 -1.978 -0.587 5.675 1.00 0.00 C ATOM 143 CG PHE A 10 -2.977 -1.659 5.309 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.909 -2.278 4.055 1.00 0.00 C ATOM 145 CD2 PHE A 10 -3.975 -2.028 6.219 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.840 -3.267 3.711 1.00 0.00 C ATOM 147 CE2 PHE A 10 -4.904 -3.018 5.876 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.837 -3.636 4.621 1.00 0.00 C ATOM 0 H PHE A 10 -0.180 0.829 6.622 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.198 -1.733 7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.463 0.185 6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.604 -0.104 4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.139 -1.993 3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.028 -1.549 7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.788 -3.744 2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.672 -3.305 6.579 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.555 -4.398 4.355 1.00 0.00 H new ATOM 158 N VAL A 11 0.651 -1.658 4.596 1.00 0.00 N ATOM 159 CA VAL A 11 1.416 -2.540 3.675 1.00 0.00 C ATOM 160 C VAL A 11 2.572 -3.200 4.429 1.00 0.00 C ATOM 161 O VAL A 11 2.791 -4.391 4.335 1.00 0.00 O ATOM 162 CB VAL A 11 1.973 -1.697 2.531 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.839 -2.572 1.628 1.00 0.00 C ATOM 164 CG2 VAL A 11 0.814 -1.113 1.723 1.00 0.00 C ATOM 0 H VAL A 11 0.735 -0.659 4.407 1.00 0.00 H new ATOM 0 HA VAL A 11 0.758 -3.315 3.281 1.00 0.00 H new ATOM 0 HB VAL A 11 2.579 -0.886 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.237 -1.970 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.663 -2.988 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.236 -3.383 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.208 -0.510 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.208 -1.923 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.198 -0.488 2.370 1.00 0.00 H new ATOM 174 N VAL A 12 3.315 -2.429 5.172 1.00 0.00 N ATOM 175 CA VAL A 12 4.464 -2.998 5.931 1.00 0.00 C ATOM 176 C VAL A 12 3.957 -3.988 6.982 1.00 0.00 C ATOM 177 O VAL A 12 4.577 -4.997 7.248 1.00 0.00 O ATOM 178 CB VAL A 12 5.223 -1.862 6.614 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.361 -2.441 7.453 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.798 -0.923 5.552 1.00 0.00 C ATOM 0 H VAL A 12 3.176 -1.425 5.287 1.00 0.00 H new ATOM 0 HA VAL A 12 5.129 -3.523 5.245 1.00 0.00 H new ATOM 0 HB VAL A 12 4.543 -1.307 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.903 -1.630 7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.951 -3.110 8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.042 -2.996 6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.340 -0.112 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.478 -1.478 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.986 -0.509 4.954 1.00 0.00 H new ATOM 190 N GLU A 13 2.834 -3.703 7.583 1.00 0.00 N ATOM 191 CA GLU A 13 2.285 -4.621 8.622 1.00 0.00 C ATOM 192 C GLU A 13 2.102 -6.020 8.035 1.00 0.00 C ATOM 193 O GLU A 13 2.165 -7.010 8.736 1.00 0.00 O ATOM 194 CB GLU A 13 0.936 -4.093 9.107 1.00 0.00 C ATOM 195 CG GLU A 13 0.407 -4.987 10.227 1.00 0.00 C ATOM 196 CD GLU A 13 -0.986 -4.512 10.644 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.470 -3.564 10.050 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.546 -5.106 11.552 1.00 0.00 O ATOM 0 H GLU A 13 2.272 -2.872 7.399 1.00 0.00 H new ATOM 0 HA GLU A 13 2.981 -4.671 9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.043 -3.069 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.225 -4.069 8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.364 -6.023 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.084 -4.957 11.081 1.00 0.00 H new ATOM 205 N GLU A 14 1.871 -6.110 6.756 1.00 0.00 N ATOM 206 CA GLU A 14 1.679 -7.447 6.130 1.00 0.00 C ATOM 207 C GLU A 14 2.976 -8.249 6.244 1.00 0.00 C ATOM 208 O GLU A 14 2.965 -9.462 6.314 1.00 0.00 O ATOM 209 CB GLU A 14 1.315 -7.268 4.656 1.00 0.00 C ATOM 210 CG GLU A 14 0.976 -8.628 4.048 1.00 0.00 C ATOM 211 CD GLU A 14 0.710 -8.467 2.550 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.821 -7.353 2.065 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.401 -9.460 1.913 1.00 0.00 O ATOM 0 H GLU A 14 1.807 -5.317 6.118 1.00 0.00 H new ATOM 0 HA GLU A 14 0.876 -7.980 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.465 -6.592 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.147 -6.814 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.798 -9.325 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.100 -9.050 4.540 1.00 0.00 H new ATOM 220 N PHE A 15 4.094 -7.580 6.264 1.00 0.00 N ATOM 221 CA PHE A 15 5.395 -8.297 6.374 1.00 0.00 C ATOM 222 C PHE A 15 6.443 -7.349 6.966 1.00 0.00 C ATOM 223 O PHE A 15 7.482 -7.108 6.384 1.00 0.00 O ATOM 224 CB PHE A 15 5.832 -8.760 4.982 1.00 0.00 C ATOM 225 CG PHE A 15 5.193 -7.875 3.939 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.510 -8.447 2.862 1.00 0.00 C ATOM 227 CD2 PHE A 15 5.281 -6.481 4.052 1.00 0.00 C ATOM 228 CE1 PHE A 15 3.914 -7.628 1.897 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.687 -5.663 3.086 1.00 0.00 C ATOM 230 CZ PHE A 15 4.002 -6.236 2.009 1.00 0.00 C ATOM 0 H PHE A 15 4.163 -6.564 6.209 1.00 0.00 H new ATOM 0 HA PHE A 15 5.290 -9.166 7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.918 -8.717 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.540 -9.798 4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.442 -9.521 2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.807 -6.039 4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.386 -8.070 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.757 -4.589 3.171 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.541 -5.604 1.264 1.00 0.00 H new ATOM 240 N LEU A 16 6.173 -6.795 8.118 1.00 0.00 N ATOM 241 CA LEU A 16 7.148 -5.859 8.731 1.00 0.00 C ATOM 242 C LEU A 16 8.263 -6.642 9.435 1.00 0.00 C ATOM 243 O LEU A 16 8.005 -7.604 10.131 1.00 0.00 O ATOM 244 CB LEU A 16 6.425 -4.940 9.731 1.00 0.00 C ATOM 245 CG LEU A 16 6.196 -5.641 11.076 1.00 0.00 C ATOM 246 CD1 LEU A 16 5.542 -4.655 12.047 1.00 0.00 C ATOM 247 CD2 LEU A 16 5.265 -6.843 10.886 1.00 0.00 C ATOM 0 H LEU A 16 5.321 -6.952 8.656 1.00 0.00 H new ATOM 0 HA LEU A 16 7.597 -5.247 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.013 -4.036 9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.467 -4.629 9.314 1.00 0.00 H new ATOM 0 HG LEU A 16 7.152 -5.983 11.472 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.375 -5.145 13.006 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.196 -3.795 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.588 -4.322 11.639 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.107 -7.336 11.845 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.308 -6.503 10.491 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.717 -7.546 10.187 1.00 0.00 H new ATOM 259 N PRO A 17 9.496 -6.232 9.276 1.00 0.00 N ATOM 260 CA PRO A 17 10.642 -6.912 9.935 1.00 0.00 C ATOM 261 C PRO A 17 10.654 -6.616 11.437 1.00 0.00 C ATOM 262 O PRO A 17 9.631 -6.328 12.026 1.00 0.00 O ATOM 263 CB PRO A 17 11.870 -6.307 9.244 1.00 0.00 C ATOM 264 CG PRO A 17 11.427 -4.966 8.766 1.00 0.00 C ATOM 265 CD PRO A 17 9.938 -5.084 8.465 1.00 0.00 C ATOM 0 HA PRO A 17 10.603 -7.998 9.844 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.709 -6.222 9.935 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.203 -6.931 8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.610 -4.204 9.524 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.981 -4.669 7.875 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.403 -4.174 8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.758 -5.253 7.403 1.00 0.00 H new ATOM 273 N ASP A 18 11.793 -6.669 12.058 1.00 0.00 N ATOM 274 CA ASP A 18 11.857 -6.373 13.511 1.00 0.00 C ATOM 275 C ASP A 18 11.884 -4.856 13.704 1.00 0.00 C ATOM 276 O ASP A 18 12.202 -4.358 14.765 1.00 0.00 O ATOM 277 CB ASP A 18 13.125 -6.989 14.095 1.00 0.00 C ATOM 278 CG ASP A 18 13.023 -8.516 14.049 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.033 -9.164 14.261 1.00 0.00 O ATOM 280 OD2 ASP A 18 11.933 -9.008 13.806 1.00 0.00 O ATOM 0 H ASP A 18 12.684 -6.905 11.622 1.00 0.00 H new ATOM 0 HA ASP A 18 10.988 -6.792 14.018 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.996 -6.656 13.531 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.264 -6.655 15.123 1.00 0.00 H new ATOM 285 N VAL A 19 11.564 -4.122 12.670 1.00 0.00 N ATOM 286 CA VAL A 19 11.577 -2.635 12.766 1.00 0.00 C ATOM 287 C VAL A 19 10.153 -2.090 12.638 1.00 0.00 C ATOM 288 O VAL A 19 9.387 -2.521 11.799 1.00 0.00 O ATOM 289 CB VAL A 19 12.426 -2.073 11.628 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.565 -0.559 11.790 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.813 -2.720 11.659 1.00 0.00 C ATOM 0 H VAL A 19 11.293 -4.492 11.759 1.00 0.00 H new ATOM 0 HA VAL A 19 11.991 -2.340 13.730 1.00 0.00 H new ATOM 0 HB VAL A 19 11.944 -2.291 10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.171 -0.160 10.977 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.577 -0.098 11.766 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.046 -0.338 12.743 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.420 -2.319 10.847 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.294 -2.503 12.613 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.714 -3.799 11.540 1.00 0.00 H new ATOM 301 N ALA A 20 9.795 -1.137 13.455 1.00 0.00 N ATOM 302 CA ALA A 20 8.425 -0.558 13.367 1.00 0.00 C ATOM 303 C ALA A 20 8.350 0.365 12.137 1.00 0.00 C ATOM 304 O ALA A 20 9.285 1.092 11.861 1.00 0.00 O ATOM 305 CB ALA A 20 8.136 0.256 14.630 1.00 0.00 C ATOM 0 H ALA A 20 10.391 -0.735 14.178 1.00 0.00 H new ATOM 0 HA ALA A 20 7.691 -1.358 13.275 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.134 0.681 14.568 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.202 -0.392 15.504 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.866 1.060 14.719 1.00 0.00 H new ATOM 311 N PRO A 21 7.259 0.357 11.402 1.00 0.00 N ATOM 312 CA PRO A 21 7.112 1.231 10.201 1.00 0.00 C ATOM 313 C PRO A 21 7.492 2.685 10.497 1.00 0.00 C ATOM 314 O PRO A 21 7.956 3.406 9.637 1.00 0.00 O ATOM 315 CB PRO A 21 5.624 1.145 9.855 1.00 0.00 C ATOM 316 CG PRO A 21 5.141 -0.137 10.447 1.00 0.00 C ATOM 317 CD PRO A 21 6.061 -0.477 11.619 1.00 0.00 C ATOM 0 HA PRO A 21 7.768 0.909 9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.078 1.995 10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.472 1.159 8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.110 -0.038 10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.158 -0.933 9.703 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.587 -0.250 12.574 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.313 -1.538 11.632 1.00 0.00 H new ATOM 325 N ALA A 22 7.300 3.117 11.712 1.00 0.00 N ATOM 326 CA ALA A 22 7.647 4.521 12.075 1.00 0.00 C ATOM 327 C ALA A 22 9.166 4.697 12.042 1.00 0.00 C ATOM 328 O ALA A 22 9.674 5.802 12.017 1.00 0.00 O ATOM 329 CB ALA A 22 7.131 4.821 13.482 1.00 0.00 C ATOM 0 H ALA A 22 6.916 2.556 12.473 1.00 0.00 H new ATOM 0 HA ALA A 22 7.187 5.206 11.362 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.383 5.847 13.751 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.049 4.695 13.507 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.593 4.136 14.193 1.00 0.00 H new ATOM 335 N ASP A 23 9.894 3.616 12.044 1.00 0.00 N ATOM 336 CA ASP A 23 11.379 3.711 12.015 1.00 0.00 C ATOM 337 C ASP A 23 11.874 3.419 10.601 1.00 0.00 C ATOM 338 O ASP A 23 13.059 3.344 10.346 1.00 0.00 O ATOM 339 CB ASP A 23 11.977 2.695 12.990 1.00 0.00 C ATOM 340 CG ASP A 23 11.623 3.093 14.424 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.817 2.277 15.310 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.162 4.208 14.612 1.00 0.00 O ATOM 0 H ASP A 23 9.522 2.666 12.065 1.00 0.00 H new ATOM 0 HA ASP A 23 11.687 4.714 12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.594 1.698 12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.060 2.653 12.870 1.00 0.00 H new ATOM 347 N VAL A 24 10.968 3.258 9.677 1.00 0.00 N ATOM 348 CA VAL A 24 11.372 2.977 8.274 1.00 0.00 C ATOM 349 C VAL A 24 11.173 4.243 7.445 1.00 0.00 C ATOM 350 O VAL A 24 10.179 4.930 7.577 1.00 0.00 O ATOM 351 CB VAL A 24 10.508 1.850 7.707 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.987 1.498 6.298 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.624 0.618 8.607 1.00 0.00 C ATOM 0 H VAL A 24 9.962 3.309 9.835 1.00 0.00 H new ATOM 0 HA VAL A 24 12.418 2.673 8.242 1.00 0.00 H new ATOM 0 HB VAL A 24 9.468 2.175 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.371 0.695 5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.906 2.375 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.027 1.173 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.009 -0.186 8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.664 0.294 8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.282 0.868 9.611 1.00 0.00 H new ATOM 363 N ASP A 25 12.109 4.568 6.601 1.00 0.00 N ATOM 364 CA ASP A 25 11.960 5.799 5.782 1.00 0.00 C ATOM 365 C ASP A 25 10.873 5.582 4.732 1.00 0.00 C ATOM 366 O ASP A 25 11.117 5.035 3.674 1.00 0.00 O ATOM 367 CB ASP A 25 13.287 6.113 5.089 1.00 0.00 C ATOM 368 CG ASP A 25 13.184 7.464 4.377 1.00 0.00 C ATOM 369 OD1 ASP A 25 12.192 8.145 4.583 1.00 0.00 O ATOM 370 OD2 ASP A 25 14.097 7.794 3.639 1.00 0.00 O ATOM 0 H ASP A 25 12.966 4.038 6.443 1.00 0.00 H new ATOM 0 HA ASP A 25 11.681 6.634 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.095 6.136 5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.529 5.329 4.371 1.00 0.00 H new ATOM 375 N VAL A 26 9.673 6.008 5.015 1.00 0.00 N ATOM 376 CA VAL A 26 8.567 5.829 4.031 1.00 0.00 C ATOM 377 C VAL A 26 8.905 6.572 2.734 1.00 0.00 C ATOM 378 O VAL A 26 8.102 6.649 1.825 1.00 0.00 O ATOM 379 CB VAL A 26 7.271 6.398 4.612 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.978 5.743 5.964 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.421 7.909 4.803 1.00 0.00 C ATOM 0 H VAL A 26 9.410 6.472 5.884 1.00 0.00 H new ATOM 0 HA VAL A 26 8.442 4.767 3.821 1.00 0.00 H new ATOM 0 HB VAL A 26 6.449 6.193 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.054 6.152 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.871 4.666 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.800 5.944 6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.499 8.317 5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.245 8.109 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.626 8.379 3.841 1.00 0.00 H new ATOM 391 N ASP A 27 10.090 7.113 2.636 1.00 0.00 N ATOM 392 CA ASP A 27 10.478 7.841 1.394 1.00 0.00 C ATOM 393 C ASP A 27 11.256 6.893 0.480 1.00 0.00 C ATOM 394 O ASP A 27 11.789 7.289 -0.538 1.00 0.00 O ATOM 395 CB ASP A 27 11.359 9.039 1.756 1.00 0.00 C ATOM 396 CG ASP A 27 10.539 10.055 2.553 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.325 9.925 2.568 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.137 10.944 3.135 1.00 0.00 O ATOM 0 H ASP A 27 10.806 7.082 3.362 1.00 0.00 H new ATOM 0 HA ASP A 27 9.583 8.194 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.217 8.709 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.751 9.502 0.850 1.00 0.00 H new ATOM 403 N LEU A 28 11.327 5.641 0.843 1.00 0.00 N ATOM 404 CA LEU A 28 12.070 4.656 0.006 1.00 0.00 C ATOM 405 C LEU A 28 11.099 3.931 -0.918 1.00 0.00 C ATOM 406 O LEU A 28 10.033 3.515 -0.510 1.00 0.00 O ATOM 407 CB LEU A 28 12.762 3.640 0.916 1.00 0.00 C ATOM 408 CG LEU A 28 13.625 2.695 0.076 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.924 2.392 0.825 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.869 1.384 -0.166 1.00 0.00 C ATOM 0 H LEU A 28 10.901 5.257 1.686 1.00 0.00 H new ATOM 0 HA LEU A 28 12.815 5.179 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.381 4.157 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.018 3.070 1.472 1.00 0.00 H new ATOM 0 HG LEU A 28 13.851 3.168 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.540 1.719 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.467 3.320 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.692 1.920 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.486 0.713 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.643 0.913 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.940 1.592 -0.697 1.00 0.00 H new ATOM 422 N ASP A 29 11.458 3.768 -2.160 1.00 0.00 N ATOM 423 CA ASP A 29 10.547 3.059 -3.095 1.00 0.00 C ATOM 424 C ASP A 29 10.332 1.640 -2.573 1.00 0.00 C ATOM 425 O ASP A 29 11.268 0.891 -2.380 1.00 0.00 O ATOM 426 CB ASP A 29 11.175 3.008 -4.490 1.00 0.00 C ATOM 427 CG ASP A 29 11.279 4.426 -5.055 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.983 4.601 -6.035 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.652 5.312 -4.497 1.00 0.00 O ATOM 0 H ASP A 29 12.336 4.093 -2.564 1.00 0.00 H new ATOM 0 HA ASP A 29 9.593 3.583 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.164 2.552 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.571 2.386 -5.150 1.00 0.00 H new ATOM 434 N LEU A 30 9.108 1.272 -2.323 1.00 0.00 N ATOM 435 CA LEU A 30 8.844 -0.091 -1.790 1.00 0.00 C ATOM 436 C LEU A 30 9.145 -1.146 -2.858 1.00 0.00 C ATOM 437 O LEU A 30 8.758 -2.291 -2.736 1.00 0.00 O ATOM 438 CB LEU A 30 7.381 -0.193 -1.343 1.00 0.00 C ATOM 439 CG LEU A 30 6.452 -0.151 -2.561 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.754 -1.504 -2.718 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.398 0.939 -2.359 1.00 0.00 C ATOM 0 H LEU A 30 8.282 1.854 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 30 9.494 -0.271 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.226 -1.119 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.142 0.627 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 30 7.037 0.065 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.093 -1.474 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.501 -2.285 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.170 -1.718 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.736 0.970 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.815 0.720 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.891 1.905 -2.244 1.00 0.00 H new ATOM 453 N VAL A 31 9.839 -0.777 -3.903 1.00 0.00 N ATOM 454 CA VAL A 31 10.161 -1.774 -4.963 1.00 0.00 C ATOM 455 C VAL A 31 10.847 -2.967 -4.312 1.00 0.00 C ATOM 456 O VAL A 31 10.575 -4.108 -4.630 1.00 0.00 O ATOM 457 CB VAL A 31 11.107 -1.150 -5.988 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.571 -2.223 -6.976 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.380 -0.042 -6.746 1.00 0.00 C ATOM 0 H VAL A 31 10.194 0.165 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 31 9.246 -2.089 -5.465 1.00 0.00 H new ATOM 0 HB VAL A 31 11.972 -0.731 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.246 -1.777 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.092 -3.014 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.706 -2.643 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.056 0.403 -7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.514 -0.460 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.051 0.724 -6.044 1.00 0.00 H new ATOM 469 N ASP A 32 11.725 -2.710 -3.386 1.00 0.00 N ATOM 470 CA ASP A 32 12.416 -3.830 -2.693 1.00 0.00 C ATOM 471 C ASP A 32 11.346 -4.749 -2.111 1.00 0.00 C ATOM 472 O ASP A 32 11.488 -5.955 -2.081 1.00 0.00 O ATOM 473 CB ASP A 32 13.293 -3.277 -1.566 1.00 0.00 C ATOM 474 CG ASP A 32 14.449 -2.473 -2.165 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.110 -1.775 -1.415 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.652 -2.568 -3.365 1.00 0.00 O ATOM 0 H ASP A 32 11.994 -1.775 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 32 13.051 -4.378 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.699 -2.644 -0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.681 -4.095 -0.959 1.00 0.00 H new ATOM 481 N ASN A 33 10.263 -4.174 -1.668 1.00 0.00 N ATOM 482 CA ASN A 33 9.154 -4.986 -1.107 1.00 0.00 C ATOM 483 C ASN A 33 8.297 -5.496 -2.261 1.00 0.00 C ATOM 484 O ASN A 33 7.187 -5.952 -2.073 1.00 0.00 O ATOM 485 CB ASN A 33 8.304 -4.122 -0.182 1.00 0.00 C ATOM 486 CG ASN A 33 9.184 -3.548 0.924 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.935 -4.264 1.557 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.130 -2.273 1.176 1.00 0.00 N ATOM 0 H ASN A 33 10.100 -3.167 -1.672 1.00 0.00 H new ATOM 0 HA ASN A 33 9.555 -5.825 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.838 -3.315 -0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.498 -4.716 0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.719 -1.872 1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.499 -1.674 0.643 1.00 0.00 H new ATOM 495 N GLY A 34 8.812 -5.407 -3.460 1.00 0.00 N ATOM 496 CA GLY A 34 8.051 -5.877 -4.650 1.00 0.00 C ATOM 497 C GLY A 34 7.380 -7.211 -4.328 1.00 0.00 C ATOM 498 O GLY A 34 6.499 -7.661 -5.029 1.00 0.00 O ATOM 0 H GLY A 34 9.735 -5.025 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.300 -5.138 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.721 -5.991 -5.502 1.00 0.00 H new ATOM 502 N VAL A 35 7.783 -7.843 -3.266 1.00 0.00 N ATOM 503 CA VAL A 35 7.156 -9.142 -2.902 1.00 0.00 C ATOM 504 C VAL A 35 5.638 -8.967 -2.891 1.00 0.00 C ATOM 505 O VAL A 35 4.894 -9.848 -3.273 1.00 0.00 O ATOM 506 CB VAL A 35 7.631 -9.566 -1.510 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.771 -10.725 -1.003 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.093 -10.013 -1.585 1.00 0.00 C ATOM 0 H VAL A 35 8.516 -7.519 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 35 7.438 -9.907 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 35 7.541 -8.722 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.112 -11.024 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.729 -10.408 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.858 -11.569 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.432 -10.315 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.181 -10.855 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.708 -9.187 -1.943 1.00 0.00 H new ATOM 518 N ILE A 36 5.176 -7.830 -2.451 1.00 0.00 N ATOM 519 CA ILE A 36 3.708 -7.580 -2.405 1.00 0.00 C ATOM 520 C ILE A 36 3.154 -7.420 -3.822 1.00 0.00 C ATOM 521 O ILE A 36 1.983 -7.611 -4.066 1.00 0.00 O ATOM 522 CB ILE A 36 3.449 -6.281 -1.647 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.022 -6.287 -1.103 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.617 -5.099 -2.604 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.715 -4.942 -0.442 1.00 0.00 C ATOM 0 H ILE A 36 5.755 -7.059 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 36 3.223 -8.423 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 36 4.155 -6.192 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.315 -6.475 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.902 -7.094 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.433 -4.168 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.632 -5.094 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.906 -5.192 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.696 -4.951 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.413 -4.772 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.817 -4.144 -1.177 1.00 0.00 H new ATOM 537 N ASP A 37 3.980 -7.033 -4.745 1.00 0.00 N ATOM 538 CA ASP A 37 3.501 -6.815 -6.140 1.00 0.00 C ATOM 539 C ASP A 37 2.887 -8.090 -6.728 1.00 0.00 C ATOM 540 O ASP A 37 1.965 -8.026 -7.517 1.00 0.00 O ATOM 541 CB ASP A 37 4.672 -6.371 -7.019 1.00 0.00 C ATOM 542 CG ASP A 37 5.185 -5.012 -6.540 1.00 0.00 C ATOM 543 OD1 ASP A 37 6.275 -4.639 -6.940 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.479 -4.368 -5.782 1.00 0.00 O ATOM 0 H ASP A 37 4.974 -6.856 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 37 2.732 -6.043 -6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.473 -7.109 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.355 -6.305 -8.060 1.00 0.00 H new ATOM 549 N SER A 38 3.404 -9.242 -6.391 1.00 0.00 N ATOM 550 CA SER A 38 2.849 -10.497 -6.979 1.00 0.00 C ATOM 551 C SER A 38 2.018 -11.281 -5.958 1.00 0.00 C ATOM 552 O SER A 38 0.831 -11.476 -6.132 1.00 0.00 O ATOM 553 CB SER A 38 4.008 -11.369 -7.466 1.00 0.00 C ATOM 554 OG SER A 38 4.820 -10.627 -8.395 1.00 0.00 O ATOM 0 H SER A 38 4.179 -9.368 -5.740 1.00 0.00 H new ATOM 0 HA SER A 38 2.194 -10.228 -7.807 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.612 -11.693 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.622 -12.269 -7.945 1.00 0.00 H new ATOM 559 N LEU A 39 2.634 -11.769 -4.918 1.00 0.00 N ATOM 560 CA LEU A 39 1.878 -12.579 -3.920 1.00 0.00 C ATOM 561 C LEU A 39 0.935 -11.700 -3.102 1.00 0.00 C ATOM 562 O LEU A 39 -0.244 -11.975 -2.990 1.00 0.00 O ATOM 563 CB LEU A 39 2.868 -13.277 -2.985 1.00 0.00 C ATOM 564 CG LEU A 39 2.135 -14.283 -2.094 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.006 -15.525 -1.906 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.859 -13.652 -0.725 1.00 0.00 C ATOM 0 H LEU A 39 3.626 -11.643 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 39 1.280 -13.318 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.633 -13.788 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.379 -12.538 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 39 1.192 -14.561 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.485 -16.242 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.208 -15.978 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.947 -15.241 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.337 -14.370 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.803 -13.373 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.241 -12.763 -0.852 1.00 0.00 H new ATOM 578 N GLY A 40 1.439 -10.652 -2.523 1.00 0.00 N ATOM 579 CA GLY A 40 0.566 -9.765 -1.707 1.00 0.00 C ATOM 580 C GLY A 40 -0.449 -9.070 -2.609 1.00 0.00 C ATOM 581 O GLY A 40 -1.584 -8.851 -2.234 1.00 0.00 O ATOM 0 H GLY A 40 2.417 -10.369 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.050 -10.348 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.171 -9.023 -1.185 1.00 0.00 H new ATOM 585 N LEU A 41 -0.047 -8.716 -3.796 1.00 0.00 N ATOM 586 CA LEU A 41 -0.984 -8.028 -4.723 1.00 0.00 C ATOM 587 C LEU A 41 -2.200 -8.920 -4.948 1.00 0.00 C ATOM 588 O LEU A 41 -3.324 -8.463 -4.945 1.00 0.00 O ATOM 589 CB LEU A 41 -0.279 -7.774 -6.056 1.00 0.00 C ATOM 590 CG LEU A 41 -1.186 -6.966 -6.986 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.989 -5.476 -6.719 1.00 0.00 C ATOM 592 CD2 LEU A 41 -0.827 -7.276 -8.441 1.00 0.00 C ATOM 0 H LEU A 41 0.891 -8.874 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.301 -7.077 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.653 -7.235 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.018 -8.723 -6.525 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.227 -7.233 -6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.635 -4.899 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.243 -5.256 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.051 -5.208 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.472 -6.701 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.213 -7.008 -8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.966 -8.340 -8.631 1.00 0.00 H new ATOM 604 N LEU A 42 -1.989 -10.190 -5.132 1.00 0.00 N ATOM 605 CA LEU A 42 -3.147 -11.098 -5.345 1.00 0.00 C ATOM 606 C LEU A 42 -4.046 -11.028 -4.112 1.00 0.00 C ATOM 607 O LEU A 42 -5.253 -10.933 -4.211 1.00 0.00 O ATOM 608 CB LEU A 42 -2.647 -12.532 -5.541 1.00 0.00 C ATOM 609 CG LEU A 42 -3.818 -13.445 -5.904 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.100 -13.334 -7.400 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.462 -14.892 -5.560 1.00 0.00 C ATOM 0 H LEU A 42 -1.072 -10.637 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.704 -10.796 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.895 -12.560 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.167 -12.887 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.702 -13.145 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.935 -13.984 -7.662 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.352 -12.303 -7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.215 -13.636 -7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.297 -15.543 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.579 -15.193 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.256 -14.972 -4.493 1.00 0.00 H new ATOM 623 N LYS A 43 -3.459 -11.059 -2.948 1.00 0.00 N ATOM 624 CA LYS A 43 -4.265 -10.977 -1.701 1.00 0.00 C ATOM 625 C LYS A 43 -4.876 -9.579 -1.578 1.00 0.00 C ATOM 626 O LYS A 43 -5.970 -9.409 -1.077 1.00 0.00 O ATOM 627 CB LYS A 43 -3.361 -11.247 -0.501 1.00 0.00 C ATOM 628 CG LYS A 43 -2.842 -12.685 -0.564 1.00 0.00 C ATOM 629 CD LYS A 43 -2.029 -12.990 0.696 1.00 0.00 C ATOM 630 CE LYS A 43 -1.414 -14.387 0.581 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.443 -15.412 0.915 1.00 0.00 N ATOM 0 H LYS A 43 -2.452 -11.138 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.064 -11.718 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.525 -10.548 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.913 -11.089 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.677 -13.381 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.223 -12.821 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.244 -12.245 0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.669 -12.934 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.039 -14.549 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.563 -14.478 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.025 -16.361 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.781 -15.261 1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.242 -15.330 0.254 1.00 0.00 H new ATOM 645 N VAL A 44 -4.166 -8.576 -2.021 1.00 0.00 N ATOM 646 CA VAL A 44 -4.687 -7.182 -1.921 1.00 0.00 C ATOM 647 C VAL A 44 -5.981 -7.040 -2.722 1.00 0.00 C ATOM 648 O VAL A 44 -6.947 -6.472 -2.257 1.00 0.00 O ATOM 649 CB VAL A 44 -3.641 -6.217 -2.478 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.229 -4.808 -2.545 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.415 -6.216 -1.561 1.00 0.00 C ATOM 0 H VAL A 44 -3.244 -8.663 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.892 -6.952 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.349 -6.534 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.482 -4.121 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.104 -4.809 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.521 -4.488 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.666 -5.529 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.709 -5.898 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.995 -7.221 -1.513 1.00 0.00 H new ATOM 661 N ILE A 45 -6.014 -7.544 -3.922 1.00 0.00 N ATOM 662 CA ILE A 45 -7.249 -7.428 -4.739 1.00 0.00 C ATOM 663 C ILE A 45 -8.393 -8.174 -4.048 1.00 0.00 C ATOM 664 O ILE A 45 -9.516 -7.712 -4.014 1.00 0.00 O ATOM 665 CB ILE A 45 -7.000 -8.037 -6.120 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.829 -7.323 -6.809 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.254 -7.886 -6.967 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.065 -5.811 -6.817 1.00 0.00 C ATOM 0 H ILE A 45 -5.239 -8.031 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.518 -6.377 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.754 -9.093 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.898 -7.551 -6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.721 -7.687 -7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.082 -8.319 -7.953 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.084 -8.402 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.497 -6.829 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.228 -5.315 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.986 -5.589 -7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.150 -5.451 -5.792 1.00 0.00 H new ATOM 680 N ALA A 46 -8.118 -9.326 -3.502 1.00 0.00 N ATOM 681 CA ALA A 46 -9.192 -10.101 -2.819 1.00 0.00 C ATOM 682 C ALA A 46 -9.656 -9.354 -1.566 1.00 0.00 C ATOM 683 O ALA A 46 -10.836 -9.238 -1.300 1.00 0.00 O ATOM 684 CB ALA A 46 -8.644 -11.470 -2.417 1.00 0.00 C ATOM 0 H ALA A 46 -7.197 -9.764 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.037 -10.223 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.425 -12.042 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.315 -12.006 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.800 -11.339 -1.740 1.00 0.00 H new ATOM 690 N TRP A 47 -8.736 -8.847 -0.792 1.00 0.00 N ATOM 691 CA TRP A 47 -9.121 -8.109 0.443 1.00 0.00 C ATOM 692 C TRP A 47 -9.627 -6.717 0.074 1.00 0.00 C ATOM 693 O TRP A 47 -10.631 -6.253 0.578 1.00 0.00 O ATOM 694 CB TRP A 47 -7.902 -7.986 1.358 1.00 0.00 C ATOM 695 CG TRP A 47 -7.988 -6.717 2.139 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.578 -6.585 3.349 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.478 -5.398 1.787 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.462 -5.269 3.762 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.791 -4.499 2.833 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.782 -4.901 0.672 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.424 -3.155 2.776 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.411 -3.548 0.611 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.731 -2.678 1.660 1.00 0.00 C ATOM 0 H TRP A 47 -7.732 -8.912 -0.962 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.912 -8.652 0.960 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.855 -8.839 2.035 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.987 -7.999 0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.061 -7.377 3.902 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.828 -4.912 4.645 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.531 -5.564 -0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.673 -2.488 3.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.876 -3.176 -0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.442 -1.639 1.607 1.00 0.00 H new ATOM 714 N LEU A 48 -8.933 -6.043 -0.798 1.00 0.00 N ATOM 715 CA LEU A 48 -9.359 -4.679 -1.202 1.00 0.00 C ATOM 716 C LEU A 48 -10.785 -4.731 -1.751 1.00 0.00 C ATOM 717 O LEU A 48 -11.597 -3.872 -1.470 1.00 0.00 O ATOM 718 CB LEU A 48 -8.407 -4.167 -2.285 1.00 0.00 C ATOM 719 CG LEU A 48 -8.717 -2.711 -2.607 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.924 -1.819 -1.660 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.308 -2.418 -4.051 1.00 0.00 C ATOM 0 H LEU A 48 -8.084 -6.382 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.333 -4.010 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.375 -4.261 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.505 -4.775 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.783 -2.519 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.138 -0.773 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.208 -2.038 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.858 -2.007 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.528 -1.377 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.240 -2.600 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.864 -3.068 -4.726 1.00 0.00 H new ATOM 733 N GLU A 49 -11.102 -5.732 -2.524 1.00 0.00 N ATOM 734 CA GLU A 49 -12.481 -5.829 -3.072 1.00 0.00 C ATOM 735 C GLU A 49 -13.466 -5.934 -1.908 1.00 0.00 C ATOM 736 O GLU A 49 -14.500 -5.299 -1.899 1.00 0.00 O ATOM 737 CB GLU A 49 -12.586 -7.073 -3.965 1.00 0.00 C ATOM 738 CG GLU A 49 -14.056 -7.461 -4.164 1.00 0.00 C ATOM 739 CD GLU A 49 -14.426 -8.587 -3.198 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.506 -8.525 -2.632 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.627 -9.496 -3.041 1.00 0.00 O ATOM 0 H GLU A 49 -10.469 -6.483 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.714 -4.946 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.121 -6.876 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.042 -7.902 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.697 -6.596 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.222 -7.782 -5.192 1.00 0.00 H new ATOM 748 N ASP A 50 -13.149 -6.724 -0.923 1.00 0.00 N ATOM 749 CA ASP A 50 -14.062 -6.863 0.244 1.00 0.00 C ATOM 750 C ASP A 50 -14.085 -5.562 1.050 1.00 0.00 C ATOM 751 O ASP A 50 -15.122 -5.109 1.493 1.00 0.00 O ATOM 752 CB ASP A 50 -13.562 -7.996 1.135 1.00 0.00 C ATOM 753 CG ASP A 50 -14.613 -8.312 2.201 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.329 -9.131 3.060 1.00 0.00 O ATOM 755 OD2 ASP A 50 -15.683 -7.729 2.141 1.00 0.00 O ATOM 0 H ASP A 50 -12.296 -7.281 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.069 -7.081 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.361 -8.883 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.622 -7.712 1.609 1.00 0.00 H new ATOM 760 N ARG A 51 -12.941 -4.975 1.263 1.00 0.00 N ATOM 761 CA ARG A 51 -12.874 -3.718 2.065 1.00 0.00 C ATOM 762 C ARG A 51 -13.622 -2.576 1.364 1.00 0.00 C ATOM 763 O ARG A 51 -14.346 -1.830 1.994 1.00 0.00 O ATOM 764 CB ARG A 51 -11.403 -3.324 2.250 1.00 0.00 C ATOM 765 CG ARG A 51 -11.284 -2.135 3.214 1.00 0.00 C ATOM 766 CD ARG A 51 -11.326 -2.627 4.664 1.00 0.00 C ATOM 767 NE ARG A 51 -11.246 -1.459 5.587 1.00 0.00 N ATOM 768 CZ ARG A 51 -10.137 -0.780 5.686 1.00 0.00 C ATOM 769 NH1 ARG A 51 -10.068 0.242 6.493 1.00 0.00 N ATOM 770 NH2 ARG A 51 -9.097 -1.122 4.976 1.00 0.00 N ATOM 0 H ARG A 51 -12.044 -5.312 0.915 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.346 -3.894 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.839 -4.172 2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.966 -3.064 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.352 -1.600 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.097 -1.431 3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.245 -3.184 4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.498 -3.310 4.852 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.059 -1.191 6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.881 0.510 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.201 0.773 6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.151 -1.920 4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.230 -0.591 5.053 1.00 0.00 H new ATOM 784 N PHE A 52 -13.435 -2.410 0.080 1.00 0.00 N ATOM 785 CA PHE A 52 -14.118 -1.291 -0.631 1.00 0.00 C ATOM 786 C PHE A 52 -15.268 -1.812 -1.497 1.00 0.00 C ATOM 787 O PHE A 52 -16.008 -1.044 -2.078 1.00 0.00 O ATOM 788 CB PHE A 52 -13.098 -0.583 -1.517 1.00 0.00 C ATOM 789 CG PHE A 52 -12.077 0.115 -0.651 1.00 0.00 C ATOM 790 CD1 PHE A 52 -10.892 -0.541 -0.297 1.00 0.00 C ATOM 791 CD2 PHE A 52 -12.315 1.419 -0.202 1.00 0.00 C ATOM 792 CE1 PHE A 52 -9.946 0.107 0.506 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.370 2.067 0.602 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.185 1.412 0.955 1.00 0.00 C ATOM 0 H PHE A 52 -12.841 -2.999 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.531 -0.602 0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.605 -1.304 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.599 0.140 -2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.708 -1.547 -0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.229 1.926 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.032 -0.399 0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.556 3.072 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.455 1.913 1.574 1.00 0.00 H new ATOM 804 N GLY A 53 -15.433 -3.101 -1.594 1.00 0.00 N ATOM 805 CA GLY A 53 -16.544 -3.635 -2.432 1.00 0.00 C ATOM 806 C GLY A 53 -16.211 -3.426 -3.912 1.00 0.00 C ATOM 807 O GLY A 53 -17.087 -3.255 -4.736 1.00 0.00 O ATOM 0 H GLY A 53 -14.853 -3.803 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.691 -4.695 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.477 -3.130 -2.183 1.00 0.00 H new ATOM 811 N ILE A 54 -14.952 -3.437 -4.256 1.00 0.00 N ATOM 812 CA ILE A 54 -14.565 -3.236 -5.682 1.00 0.00 C ATOM 813 C ILE A 54 -14.345 -4.599 -6.336 1.00 0.00 C ATOM 814 O ILE A 54 -13.780 -5.493 -5.746 1.00 0.00 O ATOM 815 CB ILE A 54 -13.271 -2.425 -5.745 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.469 -1.098 -5.009 1.00 0.00 C ATOM 817 CG2 ILE A 54 -12.910 -2.149 -7.205 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.119 -0.397 -4.852 1.00 0.00 C ATOM 0 H ILE A 54 -14.174 -3.577 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.355 -2.700 -6.208 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.465 -2.988 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.159 -0.462 -5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.915 -1.275 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.987 -1.571 -7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.771 -3.094 -7.730 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.714 -1.585 -7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.259 0.548 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.443 -1.033 -4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.691 -0.206 -5.836 1.00 0.00 H new ATOM 830 N ALA A 55 -14.794 -4.773 -7.549 1.00 0.00 N ATOM 831 CA ALA A 55 -14.618 -6.092 -8.220 1.00 0.00 C ATOM 832 C ALA A 55 -13.127 -6.404 -8.367 1.00 0.00 C ATOM 833 O ALA A 55 -12.337 -5.560 -8.741 1.00 0.00 O ATOM 834 CB ALA A 55 -15.267 -6.049 -9.604 1.00 0.00 C ATOM 0 H ALA A 55 -15.273 -4.062 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.090 -6.868 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.139 -7.013 -10.096 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.330 -5.833 -9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.795 -5.270 -10.203 1.00 0.00 H new ATOM 840 N ALA A 56 -12.743 -7.618 -8.077 1.00 0.00 N ATOM 841 CA ALA A 56 -11.309 -8.001 -8.198 1.00 0.00 C ATOM 842 C ALA A 56 -10.900 -7.983 -9.674 1.00 0.00 C ATOM 843 O ALA A 56 -9.743 -7.826 -10.009 1.00 0.00 O ATOM 844 CB ALA A 56 -11.113 -9.410 -7.634 1.00 0.00 C ATOM 0 H ALA A 56 -13.364 -8.363 -7.760 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.694 -7.295 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.064 -9.694 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.408 -9.426 -6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.727 -10.115 -8.194 1.00 0.00 H new ATOM 850 N ASP A 57 -11.847 -8.153 -10.555 1.00 0.00 N ATOM 851 CA ASP A 57 -11.533 -8.160 -12.013 1.00 0.00 C ATOM 852 C ASP A 57 -10.799 -6.875 -12.402 1.00 0.00 C ATOM 853 O ASP A 57 -9.986 -6.865 -13.305 1.00 0.00 O ATOM 854 CB ASP A 57 -12.831 -8.264 -12.810 1.00 0.00 C ATOM 855 CG ASP A 57 -13.456 -9.643 -12.595 1.00 0.00 C ATOM 856 OD1 ASP A 57 -12.781 -10.498 -12.046 1.00 0.00 O ATOM 857 OD2 ASP A 57 -14.599 -9.821 -12.982 1.00 0.00 O ATOM 0 H ASP A 57 -12.832 -8.288 -10.326 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.894 -9.014 -12.235 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.526 -7.486 -12.495 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.633 -8.105 -13.870 1.00 0.00 H new ATOM 862 N ASP A 58 -11.084 -5.787 -11.741 1.00 0.00 N ATOM 863 CA ASP A 58 -10.406 -4.508 -12.094 1.00 0.00 C ATOM 864 C ASP A 58 -8.897 -4.641 -11.871 1.00 0.00 C ATOM 865 O ASP A 58 -8.441 -4.912 -10.777 1.00 0.00 O ATOM 866 CB ASP A 58 -10.952 -3.385 -11.215 1.00 0.00 C ATOM 867 CG ASP A 58 -10.359 -2.048 -11.665 1.00 0.00 C ATOM 868 OD1 ASP A 58 -9.377 -1.630 -11.074 1.00 0.00 O ATOM 869 OD2 ASP A 58 -10.898 -1.465 -12.592 1.00 0.00 O ATOM 0 H ASP A 58 -11.754 -5.728 -10.975 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.595 -4.278 -13.143 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.039 -3.353 -11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.702 -3.572 -10.171 1.00 0.00 H new ATOM 874 N VAL A 59 -8.123 -4.451 -12.907 1.00 0.00 N ATOM 875 CA VAL A 59 -6.641 -4.559 -12.779 1.00 0.00 C ATOM 876 C VAL A 59 -6.009 -3.193 -13.051 1.00 0.00 C ATOM 877 O VAL A 59 -4.882 -3.094 -13.495 1.00 0.00 O ATOM 878 CB VAL A 59 -6.115 -5.575 -13.793 1.00 0.00 C ATOM 879 CG1 VAL A 59 -6.844 -6.908 -13.610 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.360 -5.053 -15.211 1.00 0.00 C ATOM 0 H VAL A 59 -8.457 -4.224 -13.843 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.384 -4.886 -11.771 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.046 -5.722 -13.637 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.468 -7.631 -14.334 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.671 -7.282 -12.601 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.913 -6.762 -13.765 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.985 -5.777 -15.935 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.429 -4.906 -15.365 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.840 -4.104 -15.344 1.00 0.00 H new ATOM 890 N GLU A 60 -6.733 -2.139 -12.795 1.00 0.00 N ATOM 891 CA GLU A 60 -6.188 -0.773 -13.043 1.00 0.00 C ATOM 892 C GLU A 60 -4.816 -0.631 -12.381 1.00 0.00 C ATOM 893 O GLU A 60 -3.998 0.165 -12.798 1.00 0.00 O ATOM 894 CB GLU A 60 -7.145 0.268 -12.460 1.00 0.00 C ATOM 895 CG GLU A 60 -6.664 1.667 -12.830 1.00 0.00 C ATOM 896 CD GLU A 60 -7.559 2.712 -12.161 1.00 0.00 C ATOM 897 OE1 GLU A 60 -8.465 2.315 -11.446 1.00 0.00 O ATOM 898 OE2 GLU A 60 -7.323 3.889 -12.374 1.00 0.00 O ATOM 0 H GLU A 60 -7.682 -2.164 -12.423 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.085 -0.617 -14.117 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.153 0.106 -12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.195 0.164 -11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.630 1.803 -12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.685 1.795 -13.912 1.00 0.00 H new ATOM 905 N LEU A 61 -4.557 -1.384 -11.347 1.00 0.00 N ATOM 906 CA LEU A 61 -3.238 -1.273 -10.661 1.00 0.00 C ATOM 907 C LEU A 61 -2.142 -1.876 -11.544 1.00 0.00 C ATOM 908 O LEU A 61 -2.323 -2.905 -12.165 1.00 0.00 O ATOM 909 CB LEU A 61 -3.291 -2.028 -9.332 1.00 0.00 C ATOM 910 CG LEU A 61 -4.465 -1.518 -8.498 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.452 -2.197 -7.127 1.00 0.00 C ATOM 912 CD2 LEU A 61 -4.343 -0.003 -8.317 1.00 0.00 C ATOM 0 H LEU A 61 -5.199 -2.069 -10.948 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.016 -0.222 -10.478 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.399 -3.097 -9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.357 -1.890 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.400 -1.749 -9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.290 -1.833 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.540 -3.276 -7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.517 -1.967 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.181 0.361 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.408 0.228 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.353 0.482 -9.293 1.00 0.00 H new ATOM 924 N SER A 62 -1.005 -1.236 -11.602 1.00 0.00 N ATOM 925 CA SER A 62 0.114 -1.748 -12.437 1.00 0.00 C ATOM 926 C SER A 62 1.387 -1.816 -11.590 1.00 0.00 C ATOM 927 O SER A 62 1.477 -1.199 -10.549 1.00 0.00 O ATOM 928 CB SER A 62 0.332 -0.794 -13.609 1.00 0.00 C ATOM 929 OG SER A 62 -0.343 0.429 -13.349 1.00 0.00 O ATOM 0 H SER A 62 -0.804 -0.371 -11.100 1.00 0.00 H new ATOM 0 HA SER A 62 -0.125 -2.744 -12.811 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.397 -0.612 -13.752 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.041 -1.240 -14.531 1.00 0.00 H new ATOM 0 HG SER A 62 -0.204 1.045 -14.098 1.00 0.00 H new ATOM 935 N PRO A 63 2.366 -2.556 -12.034 1.00 0.00 N ATOM 936 CA PRO A 63 3.657 -2.695 -11.300 1.00 0.00 C ATOM 937 C PRO A 63 4.311 -1.335 -11.060 1.00 0.00 C ATOM 938 O PRO A 63 4.910 -1.091 -10.031 1.00 0.00 O ATOM 939 CB PRO A 63 4.532 -3.556 -12.221 1.00 0.00 C ATOM 940 CG PRO A 63 3.834 -3.599 -13.544 1.00 0.00 C ATOM 941 CD PRO A 63 2.355 -3.338 -13.274 1.00 0.00 C ATOM 0 HA PRO A 63 3.517 -3.140 -10.315 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.529 -3.128 -12.321 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.655 -4.559 -11.814 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.242 -2.847 -14.220 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.974 -4.568 -14.023 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.889 -2.788 -14.091 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.798 -4.268 -13.157 1.00 0.00 H new ATOM 949 N GLU A 64 4.184 -0.443 -12.001 1.00 0.00 N ATOM 950 CA GLU A 64 4.778 0.913 -11.836 1.00 0.00 C ATOM 951 C GLU A 64 4.028 1.659 -10.733 1.00 0.00 C ATOM 952 O GLU A 64 4.554 2.554 -10.102 1.00 0.00 O ATOM 953 CB GLU A 64 4.659 1.685 -13.148 1.00 0.00 C ATOM 954 CG GLU A 64 5.398 3.012 -13.029 1.00 0.00 C ATOM 955 CD GLU A 64 5.191 3.833 -14.304 1.00 0.00 C ATOM 956 OE1 GLU A 64 4.484 3.361 -15.180 1.00 0.00 O ATOM 957 OE2 GLU A 64 5.742 4.918 -14.383 1.00 0.00 O ATOM 0 H GLU A 64 3.692 -0.595 -12.882 1.00 0.00 H new ATOM 0 HA GLU A 64 5.830 0.822 -11.566 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.075 1.098 -13.966 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.610 1.861 -13.384 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.033 3.566 -12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.461 2.834 -12.868 1.00 0.00 H new ATOM 964 N HIS A 65 2.793 1.302 -10.507 1.00 0.00 N ATOM 965 CA HIS A 65 1.991 1.989 -9.455 1.00 0.00 C ATOM 966 C HIS A 65 2.558 1.662 -8.073 1.00 0.00 C ATOM 967 O HIS A 65 2.402 2.416 -7.133 1.00 0.00 O ATOM 968 CB HIS A 65 0.537 1.515 -9.536 1.00 0.00 C ATOM 969 CG HIS A 65 -0.292 2.257 -8.527 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.908 1.615 -7.462 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.617 3.585 -8.407 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.568 2.551 -6.754 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.421 3.764 -7.288 1.00 0.00 N ATOM 0 H HIS A 65 2.303 0.561 -11.008 1.00 0.00 H new ATOM 0 HA HIS A 65 2.035 3.066 -9.614 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.144 1.684 -10.539 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.483 0.443 -9.348 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.868 0.617 -7.254 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.298 4.369 -9.078 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.145 2.345 -5.864 1.00 0.00 H new ATOM 982 N PHE A 66 3.208 0.541 -7.940 1.00 0.00 N ATOM 983 CA PHE A 66 3.778 0.157 -6.620 1.00 0.00 C ATOM 984 C PHE A 66 5.208 0.687 -6.499 1.00 0.00 C ATOM 985 O PHE A 66 5.933 0.342 -5.587 1.00 0.00 O ATOM 986 CB PHE A 66 3.766 -1.367 -6.502 1.00 0.00 C ATOM 987 CG PHE A 66 2.337 -1.838 -6.399 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.649 -2.249 -7.548 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.695 -1.854 -5.155 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.319 -2.674 -7.451 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.366 -2.282 -5.058 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.323 -2.691 -6.206 1.00 0.00 C ATOM 0 H PHE A 66 3.370 -0.129 -8.692 1.00 0.00 H new ATOM 0 HA PHE A 66 3.180 0.588 -5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.249 -1.816 -7.370 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.331 -1.682 -5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.144 -2.238 -8.508 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.226 -1.536 -4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.213 -2.989 -8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.128 -2.297 -4.098 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.349 -3.020 -6.132 1.00 0.00 H new ATOM 1002 N ARG A 67 5.620 1.522 -7.413 1.00 0.00 N ATOM 1003 CA ARG A 67 7.003 2.074 -7.353 1.00 0.00 C ATOM 1004 C ARG A 67 7.226 2.780 -6.010 1.00 0.00 C ATOM 1005 O ARG A 67 8.280 2.672 -5.416 1.00 0.00 O ATOM 1006 CB ARG A 67 7.197 3.072 -8.505 1.00 0.00 C ATOM 1007 CG ARG A 67 8.620 3.650 -8.501 1.00 0.00 C ATOM 1008 CD ARG A 67 9.616 2.614 -9.032 1.00 0.00 C ATOM 1009 NE ARG A 67 10.962 3.243 -9.154 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.863 2.710 -9.933 1.00 0.00 C ATOM 1011 NH1 ARG A 67 13.042 3.259 -10.040 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.586 1.626 -10.606 1.00 0.00 N ATOM 0 H ARG A 67 5.058 1.846 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 67 7.724 1.262 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.005 2.576 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.472 3.881 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.657 4.549 -9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.897 3.946 -7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.662 1.758 -8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.287 2.240 -10.002 1.00 0.00 H new ATOM 0 HE ARG A 67 11.179 4.090 -8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.260 4.106 -9.514 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.746 2.842 -10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.665 1.196 -10.523 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.291 1.210 -11.215 1.00 0.00 H new ATOM 1026 N SER A 68 6.252 3.505 -5.525 1.00 0.00 N ATOM 1027 CA SER A 68 6.438 4.210 -4.222 1.00 0.00 C ATOM 1028 C SER A 68 5.123 4.231 -3.438 1.00 0.00 C ATOM 1029 O SER A 68 4.047 4.184 -4.002 1.00 0.00 O ATOM 1030 CB SER A 68 6.894 5.645 -4.484 1.00 0.00 C ATOM 1031 OG SER A 68 5.830 6.374 -5.083 1.00 0.00 O ATOM 0 H SER A 68 5.344 3.639 -5.970 1.00 0.00 H new ATOM 0 HA SER A 68 7.191 3.682 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.195 6.120 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.766 5.648 -5.138 1.00 0.00 H new ATOM 0 HG SER A 68 6.065 7.325 -5.120 1.00 0.00 H new ATOM 1037 N ILE A 69 5.208 4.306 -2.136 1.00 0.00 N ATOM 1038 CA ILE A 69 3.980 4.336 -1.298 1.00 0.00 C ATOM 1039 C ILE A 69 3.200 5.630 -1.552 1.00 0.00 C ATOM 1040 O ILE A 69 1.985 5.646 -1.545 1.00 0.00 O ATOM 1041 CB ILE A 69 4.392 4.276 0.173 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.162 2.989 0.440 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.154 4.299 1.051 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.735 3.019 1.859 1.00 0.00 C ATOM 0 H ILE A 69 6.084 4.348 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 69 3.346 3.486 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 69 5.022 5.136 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.504 2.128 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.967 2.878 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.450 4.256 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.596 5.217 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.525 3.440 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.286 2.098 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.407 3.871 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.921 3.110 2.578 1.00 0.00 H new ATOM 1056 N ARG A 70 3.892 6.719 -1.757 1.00 0.00 N ATOM 1057 CA ARG A 70 3.195 8.018 -1.989 1.00 0.00 C ATOM 1058 C ARG A 70 2.317 7.937 -3.238 1.00 0.00 C ATOM 1059 O ARG A 70 1.198 8.410 -3.252 1.00 0.00 O ATOM 1060 CB ARG A 70 4.242 9.113 -2.193 1.00 0.00 C ATOM 1061 CG ARG A 70 3.554 10.477 -2.268 1.00 0.00 C ATOM 1062 CD ARG A 70 4.575 11.531 -2.694 1.00 0.00 C ATOM 1063 NE ARG A 70 5.785 11.415 -1.836 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.541 12.458 -1.622 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.600 12.351 -0.867 1.00 0.00 N ATOM 1066 NH2 ARG A 70 6.243 13.606 -2.166 1.00 0.00 N ATOM 0 H ARG A 70 4.911 6.765 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 70 2.568 8.243 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.959 9.101 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.803 8.927 -3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.729 10.443 -2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.128 10.737 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.843 11.393 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.145 12.529 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 70 6.025 10.518 -1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.837 11.453 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.191 13.165 -0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.418 13.690 -2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.835 14.419 -1.997 1.00 0.00 H new ATOM 1080 N SER A 71 2.815 7.351 -4.288 1.00 0.00 N ATOM 1081 CA SER A 71 2.010 7.253 -5.535 1.00 0.00 C ATOM 1082 C SER A 71 0.702 6.511 -5.254 1.00 0.00 C ATOM 1083 O SER A 71 -0.346 6.874 -5.748 1.00 0.00 O ATOM 1084 CB SER A 71 2.812 6.491 -6.588 1.00 0.00 C ATOM 1085 OG SER A 71 4.078 7.116 -6.757 1.00 0.00 O ATOM 0 H SER A 71 3.745 6.935 -4.337 1.00 0.00 H new ATOM 0 HA SER A 71 1.779 8.255 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.944 5.453 -6.281 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.271 6.477 -7.534 1.00 0.00 H new ATOM 0 HG SER A 71 4.722 6.726 -6.130 1.00 0.00 H new ATOM 1091 N ILE A 72 0.753 5.474 -4.465 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.480 4.709 -4.155 1.00 0.00 C ATOM 1093 C ILE A 72 -1.485 5.616 -3.447 1.00 0.00 C ATOM 1094 O ILE A 72 -2.671 5.568 -3.705 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.115 3.537 -3.246 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.924 2.657 -3.945 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.363 2.712 -2.958 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.396 1.562 -2.985 1.00 0.00 C ATOM 0 H ILE A 72 1.602 5.124 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.927 4.338 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 72 0.296 3.916 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.493 2.209 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.771 3.263 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.104 1.875 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.107 3.337 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.772 2.332 -3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.136 0.936 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.843 2.020 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.545 0.950 -2.685 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.020 6.440 -2.550 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.946 7.349 -1.819 1.00 0.00 C ATOM 1112 C ASP A 73 -2.681 8.253 -2.809 1.00 0.00 C ATOM 1113 O ASP A 73 -3.843 8.562 -2.635 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.143 8.212 -0.845 1.00 0.00 C ATOM 1115 CG ASP A 73 -2.101 8.965 0.081 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -3.292 8.710 0.003 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.628 9.784 0.851 1.00 0.00 O ATOM 0 H ASP A 73 -0.037 6.523 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.675 6.752 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.470 7.587 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.522 8.919 -1.396 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.013 8.692 -3.842 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.684 9.587 -4.826 1.00 0.00 C ATOM 1124 C ALA A 74 -3.829 8.843 -5.511 1.00 0.00 C ATOM 1125 O ALA A 74 -4.923 9.358 -5.638 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.668 10.043 -5.876 1.00 0.00 C ATOM 0 H ALA A 74 -1.038 8.471 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.085 10.456 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.158 10.698 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.857 10.583 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.264 9.173 -6.393 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.597 7.639 -5.947 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.688 6.876 -6.612 1.00 0.00 C ATOM 1134 C PHE A 75 -5.761 6.524 -5.581 1.00 0.00 C ATOM 1135 O PHE A 75 -6.943 6.600 -5.850 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.121 5.599 -7.231 1.00 0.00 C ATOM 1137 CG PHE A 75 -3.422 5.940 -8.526 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -4.146 5.962 -9.724 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -2.054 6.237 -8.531 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -3.503 6.281 -10.927 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -1.410 6.554 -9.733 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.135 6.577 -10.931 1.00 0.00 C ATOM 0 H PHE A 75 -2.704 7.151 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.131 7.485 -7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.422 5.126 -6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.922 4.883 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.201 5.733 -9.721 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.495 6.222 -7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.062 6.299 -11.851 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.354 6.781 -9.736 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.638 6.823 -11.858 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.358 6.145 -4.400 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.347 5.796 -3.351 1.00 0.00 C ATOM 1154 C VAL A 76 -7.152 7.040 -2.971 1.00 0.00 C ATOM 1155 O VAL A 76 -8.352 6.984 -2.793 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.604 5.270 -2.125 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.580 5.133 -0.964 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.997 3.901 -2.445 1.00 0.00 C ATOM 0 H VAL A 76 -4.381 6.063 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.028 5.031 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.809 5.965 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.052 4.758 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.014 6.107 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.373 4.437 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.466 3.525 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.791 3.205 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.301 3.997 -3.278 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.500 8.167 -2.843 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.224 9.410 -2.474 1.00 0.00 C ATOM 1170 C VAL A 77 -8.222 9.776 -3.575 1.00 0.00 C ATOM 1171 O VAL A 77 -9.331 10.196 -3.311 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.211 10.542 -2.310 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.951 11.865 -2.159 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.358 10.291 -1.064 1.00 0.00 C ATOM 0 H VAL A 77 -5.495 8.275 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.765 9.255 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.566 10.582 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.230 12.674 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.558 12.046 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.595 11.823 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.636 11.099 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.001 10.251 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.829 9.344 -1.170 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.827 9.630 -4.809 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.734 9.978 -5.938 1.00 0.00 C ATOM 1186 C GLY A 78 -10.013 9.135 -5.888 1.00 0.00 C ATOM 1187 O GLY A 78 -11.062 9.570 -6.318 1.00 0.00 O ATOM 0 H GLY A 78 -6.909 9.282 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.989 11.037 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.222 9.814 -6.886 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.937 7.928 -5.390 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.158 7.070 -5.349 1.00 0.00 C ATOM 1193 C ALA A 79 -11.746 7.040 -3.938 1.00 0.00 C ATOM 1194 O ALA A 79 -12.931 7.227 -3.749 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.789 5.647 -5.772 1.00 0.00 C ATOM 0 H ALA A 79 -9.090 7.502 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.901 7.483 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.678 5.017 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.387 5.661 -6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.039 5.247 -5.089 1.00 0.00 H new ATOM 1201 N THR A 80 -10.931 6.803 -2.947 1.00 0.00 N ATOM 1202 CA THR A 80 -11.450 6.758 -1.549 1.00 0.00 C ATOM 1203 C THR A 80 -10.559 7.605 -0.643 1.00 0.00 C ATOM 1204 O THR A 80 -9.393 7.802 -0.912 1.00 0.00 O ATOM 1205 CB THR A 80 -11.451 5.309 -1.054 1.00 0.00 C ATOM 1206 OG1 THR A 80 -10.118 4.904 -0.780 1.00 0.00 O ATOM 1207 CG2 THR A 80 -12.053 4.401 -2.128 1.00 0.00 C ATOM 0 H THR A 80 -9.929 6.639 -3.044 1.00 0.00 H new ATOM 0 HA THR A 80 -12.466 7.153 -1.527 1.00 0.00 H new ATOM 0 HB THR A 80 -12.047 5.235 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.127 4.039 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.053 3.370 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.076 4.713 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.459 4.472 -3.039 1.00 0.00 H new ATOM 1215 N THR A 81 -11.096 8.099 0.437 1.00 0.00 N ATOM 1216 CA THR A 81 -10.275 8.923 1.361 1.00 0.00 C ATOM 1217 C THR A 81 -10.638 8.574 2.811 1.00 0.00 C ATOM 1218 O THR A 81 -11.510 9.182 3.399 1.00 0.00 O ATOM 1219 CB THR A 81 -10.559 10.403 1.097 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.721 11.200 1.922 1.00 0.00 O ATOM 1221 CG2 THR A 81 -12.025 10.706 1.409 1.00 0.00 C ATOM 0 H THR A 81 -12.068 7.967 0.718 1.00 0.00 H new ATOM 0 HA THR A 81 -9.216 8.722 1.198 1.00 0.00 H new ATOM 0 HB THR A 81 -10.359 10.631 0.050 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.964 11.065 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.227 11.761 1.221 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.666 10.095 0.774 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.229 10.479 2.455 1.00 0.00 H new ATOM 1229 N PRO A 82 -9.971 7.603 3.383 1.00 0.00 N ATOM 1230 CA PRO A 82 -10.221 7.167 4.783 1.00 0.00 C ATOM 1231 C PRO A 82 -9.447 8.006 5.805 1.00 0.00 C ATOM 1232 O PRO A 82 -8.483 8.666 5.474 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.720 5.725 4.790 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.633 5.677 3.762 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.905 6.805 2.758 1.00 0.00 C ATOM 0 HA PRO A 82 -11.268 7.276 5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.343 5.445 5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.523 5.029 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.656 5.805 4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.622 4.710 3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -8.012 7.404 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.219 6.410 1.792 1.00 0.00 H new ATOM 1243 N PRO A 83 -9.866 7.972 7.042 1.00 0.00 N ATOM 1244 CA PRO A 83 -9.201 8.734 8.139 1.00 0.00 C ATOM 1245 C PRO A 83 -7.736 8.323 8.309 1.00 0.00 C ATOM 1246 O PRO A 83 -7.371 7.191 8.059 1.00 0.00 O ATOM 1247 CB PRO A 83 -10.008 8.376 9.395 1.00 0.00 C ATOM 1248 CG PRO A 83 -10.806 7.163 9.041 1.00 0.00 C ATOM 1249 CD PRO A 83 -11.017 7.203 7.530 1.00 0.00 C ATOM 0 HA PRO A 83 -9.186 9.804 7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.348 8.176 10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.659 9.199 9.688 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.280 6.254 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.762 7.162 9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.041 6.201 7.102 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.960 7.683 7.269 1.00 0.00 H new ATOM 1257 N VAL A 84 -6.896 9.232 8.725 1.00 0.00 N ATOM 1258 CA VAL A 84 -5.454 8.891 8.900 1.00 0.00 C ATOM 1259 C VAL A 84 -4.973 9.351 10.277 1.00 0.00 C ATOM 1260 O VAL A 84 -5.338 10.406 10.755 1.00 0.00 O ATOM 1261 CB VAL A 84 -4.630 9.593 7.819 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -4.749 11.108 7.992 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -3.162 9.181 7.951 1.00 0.00 C ATOM 0 H VAL A 84 -7.145 10.195 8.951 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.330 7.811 8.816 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.002 9.308 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.162 11.609 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.794 11.404 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.375 11.392 8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.573 9.680 7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.791 9.468 8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.075 8.101 7.831 1.00 0.00 H new ATOM 1273 N GLU A 85 -4.144 8.565 10.909 1.00 0.00 N ATOM 1274 CA GLU A 85 -3.617 8.942 12.249 1.00 0.00 C ATOM 1275 C GLU A 85 -2.117 9.212 12.132 1.00 0.00 C ATOM 1276 O GLU A 85 -1.474 8.783 11.194 1.00 0.00 O ATOM 1277 CB GLU A 85 -3.855 7.794 13.234 1.00 0.00 C ATOM 1278 CG GLU A 85 -5.356 7.516 13.342 1.00 0.00 C ATOM 1279 CD GLU A 85 -5.599 6.425 14.387 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -6.750 6.196 14.719 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -4.629 5.837 14.836 1.00 0.00 O ATOM 0 H GLU A 85 -3.808 7.671 10.550 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.127 9.835 12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.332 6.899 12.898 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.451 8.051 14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.886 8.427 13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.749 7.202 12.375 1.00 0.00 H new ATOM 1288 N ALA A 86 -1.548 9.921 13.068 1.00 0.00 N ATOM 1289 CA ALA A 86 -0.089 10.209 12.988 1.00 0.00 C ATOM 1290 C ALA A 86 0.676 8.892 12.840 1.00 0.00 C ATOM 1291 O ALA A 86 0.398 7.923 13.517 1.00 0.00 O ATOM 1292 CB ALA A 86 0.361 10.922 14.264 1.00 0.00 C ATOM 0 H ALA A 86 -2.027 10.311 13.880 1.00 0.00 H new ATOM 0 HA ALA A 86 0.113 10.848 12.128 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.429 11.133 14.206 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.188 11.857 14.371 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.164 10.285 15.126 1.00 0.00 H new ATOM 1298 N LYS A 87 1.636 8.849 11.957 1.00 0.00 N ATOM 1299 CA LYS A 87 2.415 7.593 11.764 1.00 0.00 C ATOM 1300 C LYS A 87 3.105 7.215 13.076 1.00 0.00 C ATOM 1301 O LYS A 87 3.253 6.053 13.400 1.00 0.00 O ATOM 1302 CB LYS A 87 3.466 7.801 10.671 1.00 0.00 C ATOM 1303 CG LYS A 87 4.116 6.459 10.328 1.00 0.00 C ATOM 1304 CD LYS A 87 5.190 6.665 9.258 1.00 0.00 C ATOM 1305 CE LYS A 87 5.685 5.305 8.760 1.00 0.00 C ATOM 1306 NZ LYS A 87 5.366 4.259 9.773 1.00 0.00 N ATOM 0 H LYS A 87 1.914 9.629 11.361 1.00 0.00 H new ATOM 0 HA LYS A 87 1.740 6.791 11.465 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.003 8.231 9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.223 8.508 11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.559 6.019 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.361 5.759 9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.784 7.242 8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.021 7.238 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.213 5.061 7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.760 5.340 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.912 3.398 9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.613 4.607 10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.350 4.041 9.738 1.00 0.00 H new ATOM 1320 N LEU A 88 3.533 8.188 13.835 1.00 0.00 N ATOM 1321 CA LEU A 88 4.214 7.883 15.124 1.00 0.00 C ATOM 1322 C LEU A 88 3.166 7.682 16.221 1.00 0.00 C ATOM 1323 O LEU A 88 2.153 8.351 16.255 1.00 0.00 O ATOM 1324 CB LEU A 88 5.129 9.051 15.505 1.00 0.00 C ATOM 1325 CG LEU A 88 6.091 9.345 14.353 1.00 0.00 C ATOM 1326 CD1 LEU A 88 7.071 10.441 14.772 1.00 0.00 C ATOM 1327 CD2 LEU A 88 6.870 8.075 14.003 1.00 0.00 C ATOM 0 H LEU A 88 3.440 9.180 13.617 1.00 0.00 H new ATOM 0 HA LEU A 88 4.806 6.974 15.015 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.533 9.935 15.729 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.690 8.808 16.407 1.00 0.00 H new ATOM 0 HG LEU A 88 5.524 9.677 13.484 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.756 10.650 13.950 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.519 11.347 15.023 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.638 10.109 15.642 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.556 8.284 13.182 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.436 7.744 14.874 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.173 7.292 13.704 1.00 0.00 H new ATOM 1339 N GLN A 89 3.403 6.764 17.117 1.00 0.00 N ATOM 1340 CA GLN A 89 2.421 6.518 18.210 1.00 0.00 C ATOM 1341 C GLN A 89 2.794 7.362 19.431 1.00 0.00 C ATOM 1342 O GLN A 89 3.828 7.090 20.020 1.00 0.00 O ATOM 1343 CB GLN A 89 2.439 5.035 18.589 1.00 0.00 C ATOM 1344 CG GLN A 89 1.987 4.197 17.392 1.00 0.00 C ATOM 1345 CD GLN A 89 1.894 2.727 17.803 1.00 0.00 C ATOM 1346 OE1 GLN A 89 2.231 2.379 19.015 1.00 0.00 O flip ATOM 1347 NE2 GLN A 89 1.513 1.886 17.014 1.00 0.00 N flip ATOM 1348 OXT GLN A 89 2.041 8.265 19.756 1.00 0.00 O ATOM 0 H GLN A 89 4.234 6.174 17.139 1.00 0.00 H new ATOM 0 HA GLN A 89 1.423 6.793 17.870 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.442 4.739 18.895 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.781 4.858 19.440 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.019 4.547 17.034 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.691 4.311 16.568 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.250 2.158 16.067 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.456 0.908 17.299 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 2.576 -6.394 -13.529 1.00 0.00 O HETATM 1359 O4 PN7 A 101 -0.080 -7.364 -11.393 1.00 0.00 O HETATM 1360 C2 PN7 A 101 2.860 -7.391 -11.357 1.00 0.00 C HETATM 1361 C1 PN7 A 101 2.423 -8.597 -10.515 1.00 0.00 C HETATM 1362 P PN7 A 101 3.970 -10.344 -9.743 1.00 0.00 P HETATM 1363 O1P PN7 A 101 4.920 -10.284 -10.876 1.00 0.00 O HETATM 1364 O2P PN7 A 101 2.823 -11.280 -9.800 1.00 0.00 O HETATM 1365 O3P PN7 A 101 3.396 -8.857 -9.496 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 4.319 -7.574 -11.781 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 2.732 -6.098 -10.540 1.00 0.00 C HETATM 1368 C3 PN7 A 101 1.982 -7.298 -12.607 1.00 0.00 C HETATM 1369 C4 PN7 A 101 0.588 -6.793 -12.231 1.00 0.00 C HETATM 1370 N5 PN7 A 101 0.070 -5.858 -12.981 1.00 0.00 N HETATM 1371 C6 PN7 A 101 -0.836 -6.225 -14.105 1.00 0.00 C HETATM 1372 C7 PN7 A 101 -0.050 -6.215 -15.418 1.00 0.00 C HETATM 1373 C8 PN7 A 101 -0.413 -7.452 -16.240 1.00 0.00 C HETATM 1374 O8 PN7 A 101 -1.319 -7.427 -17.050 1.00 0.00 O HETATM 1375 N9 PN7 A 101 0.331 -8.514 -16.090 1.00 0.00 N HETATM 1376 C10 PN7 A 101 1.444 -8.785 -17.043 1.00 0.00 C HETATM 1377 C11 PN7 A 101 2.691 -9.207 -16.265 1.00 0.00 C HETATM 1378 S12 PN7 A 101 4.059 -8.094 -16.667 1.00 0.00 S