USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 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 2 GLN : amide:sc= 0.715 K(o=1.2,f=-3.8!) USER MOD Set 1.2: A 81 THR OG1 : rot 61:sc= 0.513! USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 1.07 USER MOD Set 2.2: A 71 SER OG : rot 88:sc= 1.28 USER MOD Set 3.1: A 5 SER OG : rot 160:sc= 0.962 USER MOD Set 3.2: A 89 GLN :FLIP amide:sc= -2.66! C(o=-7.9!,f=-1.7!) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.257 (180deg=-1.52!) USER MOD Single : A 1 MET N :NH3+ -145:sc= -0.0116 (180deg=-0.518) USER MOD Single : A 3 HIS : no HD1:sc= -4 X(o=-4,f=-4.2!) USER MOD Single : A 9 GLN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.679 USER MOD Single : A 65 HIS : no HE2:sc= -3.01 K(o=-3,f=-3.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= -3.91! (180deg=-4.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.104 11.535 5.897 1.00 0.00 N ATOM 2 CA MET A 1 -0.305 11.379 5.442 1.00 0.00 C ATOM 3 C MET A 1 -1.143 10.796 6.580 1.00 0.00 C ATOM 4 O MET A 1 -0.889 11.046 7.741 1.00 0.00 O ATOM 5 CB MET A 1 -0.351 10.429 4.243 1.00 0.00 C ATOM 6 CG MET A 1 0.560 10.955 3.131 1.00 0.00 C ATOM 7 SD MET A 1 0.054 12.631 2.671 1.00 0.00 S ATOM 8 CE MET A 1 -1.612 12.216 2.098 1.00 0.00 C ATOM 0 H1 MET A 1 1.516 12.386 5.464 1.00 0.00 H new ATOM 0 H2 MET A 1 1.126 11.628 6.933 1.00 0.00 H new ATOM 0 H3 MET A 1 1.655 10.700 5.612 1.00 0.00 H new ATOM 0 HA MET A 1 -0.704 12.351 5.153 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.033 9.431 4.545 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.374 10.340 3.877 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.597 10.957 3.467 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.508 10.298 2.263 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.940 12.955 1.367 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.603 11.229 1.636 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.298 12.214 2.945 1.00 0.00 H new ATOM 20 N GLN A 2 -2.138 10.016 6.253 1.00 0.00 N ATOM 21 CA GLN A 2 -2.994 9.409 7.311 1.00 0.00 C ATOM 22 C GLN A 2 -2.749 7.899 7.350 1.00 0.00 C ATOM 23 O GLN A 2 -2.634 7.257 6.325 1.00 0.00 O ATOM 24 CB GLN A 2 -4.466 9.676 6.989 1.00 0.00 C ATOM 25 CG GLN A 2 -4.715 11.185 6.949 1.00 0.00 C ATOM 26 CD GLN A 2 -6.182 11.452 6.610 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.872 10.582 6.116 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.692 12.628 6.855 1.00 0.00 N ATOM 0 H GLN A 2 -2.395 9.773 5.296 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.748 9.847 8.278 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.726 9.228 6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.104 9.211 7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.467 11.631 7.912 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.068 11.651 6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.113 13.359 7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.669 12.817 6.632 1.00 0.00 H new ATOM 37 N HIS A 3 -2.671 7.328 8.523 1.00 0.00 N ATOM 38 CA HIS A 3 -2.432 5.859 8.623 1.00 0.00 C ATOM 39 C HIS A 3 -1.384 5.445 7.587 1.00 0.00 C ATOM 40 O HIS A 3 -1.342 4.314 7.145 1.00 0.00 O ATOM 41 CB HIS A 3 -3.743 5.113 8.358 1.00 0.00 C ATOM 42 CG HIS A 3 -4.225 4.479 9.633 1.00 0.00 C ATOM 43 ND1 HIS A 3 -4.478 3.117 9.734 1.00 0.00 N ATOM 44 CD2 HIS A 3 -4.504 5.005 10.871 1.00 0.00 C ATOM 45 CE1 HIS A 3 -4.890 2.873 10.992 1.00 0.00 C ATOM 46 NE2 HIS A 3 -4.922 3.989 11.723 1.00 0.00 N ATOM 0 H HIS A 3 -2.762 7.815 9.415 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.071 5.612 9.621 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.495 5.803 7.975 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.592 4.350 7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.413 6.047 11.141 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.161 1.896 11.363 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -5.196 4.078 12.702 1.00 0.00 H new ATOM 55 N ALA A 4 -0.540 6.359 7.192 1.00 0.00 N ATOM 56 CA ALA A 4 0.502 6.026 6.181 1.00 0.00 C ATOM 57 C ALA A 4 1.405 4.912 6.712 1.00 0.00 C ATOM 58 O ALA A 4 1.832 4.045 5.976 1.00 0.00 O ATOM 59 CB ALA A 4 1.345 7.270 5.893 1.00 0.00 C ATOM 0 H ALA A 4 -0.528 7.323 7.526 1.00 0.00 H new ATOM 0 HA ALA A 4 0.018 5.689 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.108 7.029 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.704 8.063 5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.824 7.606 6.813 1.00 0.00 H new ATOM 65 N SER A 5 1.705 4.927 7.982 1.00 0.00 N ATOM 66 CA SER A 5 2.586 3.865 8.544 1.00 0.00 C ATOM 67 C SER A 5 1.901 2.505 8.414 1.00 0.00 C ATOM 68 O SER A 5 2.537 1.501 8.160 1.00 0.00 O ATOM 69 CB SER A 5 2.864 4.157 10.018 1.00 0.00 C ATOM 70 OG SER A 5 1.662 4.001 10.762 1.00 0.00 O ATOM 0 H SER A 5 1.380 5.625 8.651 1.00 0.00 H new ATOM 0 HA SER A 5 3.526 3.850 7.993 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.630 3.480 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.248 5.170 10.134 1.00 0.00 H new ATOM 0 HG SER A 5 1.878 3.864 11.708 1.00 0.00 H new ATOM 76 N VAL A 6 0.608 2.461 8.576 1.00 0.00 N ATOM 77 CA VAL A 6 -0.109 1.163 8.449 1.00 0.00 C ATOM 78 C VAL A 6 -0.024 0.686 7.003 1.00 0.00 C ATOM 79 O VAL A 6 0.144 -0.483 6.733 1.00 0.00 O ATOM 80 CB VAL A 6 -1.574 1.338 8.843 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.349 0.060 8.513 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.668 1.617 10.345 1.00 0.00 C ATOM 0 H VAL A 6 0.019 3.266 8.790 1.00 0.00 H new ATOM 0 HA VAL A 6 0.351 0.428 9.109 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.001 2.174 8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.395 0.186 8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.283 -0.140 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.923 -0.777 9.066 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.713 1.742 10.627 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.241 0.781 10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.117 2.527 10.581 1.00 0.00 H new ATOM 92 N ILE A 7 -0.141 1.585 6.069 1.00 0.00 N ATOM 93 CA ILE A 7 -0.065 1.184 4.639 1.00 0.00 C ATOM 94 C ILE A 7 1.306 0.571 4.353 1.00 0.00 C ATOM 95 O ILE A 7 1.413 -0.510 3.810 1.00 0.00 O ATOM 96 CB ILE A 7 -0.271 2.420 3.765 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.650 3.016 4.058 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.186 2.026 2.290 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.812 4.334 3.301 1.00 0.00 C ATOM 0 H ILE A 7 -0.286 2.581 6.234 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.838 0.447 4.419 1.00 0.00 H new ATOM 0 HB ILE A 7 0.502 3.157 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.430 2.316 3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.764 3.184 5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.333 2.909 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.794 1.597 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.959 1.291 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.795 4.756 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.040 5.034 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.717 4.153 2.230 1.00 0.00 H new ATOM 111 N ALA A 8 2.356 1.248 4.726 1.00 0.00 N ATOM 112 CA ALA A 8 3.719 0.697 4.487 1.00 0.00 C ATOM 113 C ALA A 8 3.891 -0.581 5.306 1.00 0.00 C ATOM 114 O ALA A 8 4.342 -1.595 4.814 1.00 0.00 O ATOM 115 CB ALA A 8 4.770 1.723 4.916 1.00 0.00 C ATOM 0 H ALA A 8 2.329 2.158 5.186 1.00 0.00 H new ATOM 0 HA ALA A 8 3.844 0.476 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.767 1.318 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.643 2.638 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.650 1.945 5.976 1.00 0.00 H new ATOM 121 N GLN A 9 3.525 -0.534 6.554 1.00 0.00 N ATOM 122 CA GLN A 9 3.655 -1.737 7.421 1.00 0.00 C ATOM 123 C GLN A 9 2.754 -2.849 6.883 1.00 0.00 C ATOM 124 O GLN A 9 3.144 -3.995 6.797 1.00 0.00 O ATOM 125 CB GLN A 9 3.219 -1.374 8.843 1.00 0.00 C ATOM 126 CG GLN A 9 3.428 -2.571 9.772 1.00 0.00 C ATOM 127 CD GLN A 9 2.184 -2.759 10.640 1.00 0.00 C ATOM 128 OE1 GLN A 9 2.251 -2.664 11.849 1.00 0.00 O ATOM 129 NE2 GLN A 9 1.041 -3.023 10.067 1.00 0.00 N ATOM 0 H GLN A 9 3.139 0.290 7.014 1.00 0.00 H new ATOM 0 HA GLN A 9 4.690 -2.079 7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.793 -0.519 9.202 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.170 -1.078 8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.617 -3.471 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.304 -2.410 10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.986 -3.103 9.052 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.203 -3.150 10.635 1.00 0.00 H new ATOM 138 N PHE A 10 1.551 -2.510 6.522 1.00 0.00 N ATOM 139 CA PHE A 10 0.607 -3.530 5.990 1.00 0.00 C ATOM 140 C PHE A 10 1.134 -4.069 4.661 1.00 0.00 C ATOM 141 O PHE A 10 1.196 -5.263 4.441 1.00 0.00 O ATOM 142 CB PHE A 10 -0.761 -2.877 5.777 1.00 0.00 C ATOM 143 CG PHE A 10 -1.769 -3.920 5.365 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.417 -4.688 6.338 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.062 -4.112 4.010 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.358 -5.652 5.957 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.004 -5.075 3.629 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.652 -5.844 4.603 1.00 0.00 C ATOM 0 H PHE A 10 1.177 -1.562 6.573 1.00 0.00 H new ATOM 0 HA PHE A 10 0.514 -4.354 6.697 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.086 -2.387 6.694 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.690 -2.105 5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.191 -4.537 7.383 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.562 -3.518 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.857 -6.247 6.708 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.231 -5.225 2.584 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.379 -6.586 4.309 1.00 0.00 H new ATOM 158 N VAL A 11 1.515 -3.195 3.775 1.00 0.00 N ATOM 159 CA VAL A 11 2.042 -3.646 2.456 1.00 0.00 C ATOM 160 C VAL A 11 3.385 -4.350 2.658 1.00 0.00 C ATOM 161 O VAL A 11 3.641 -5.399 2.100 1.00 0.00 O ATOM 162 CB VAL A 11 2.239 -2.431 1.550 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.824 -2.881 0.211 1.00 0.00 C ATOM 164 CG2 VAL A 11 0.891 -1.746 1.318 1.00 0.00 C ATOM 0 H VAL A 11 1.485 -2.184 3.906 1.00 0.00 H new ATOM 0 HA VAL A 11 1.335 -4.336 1.996 1.00 0.00 H new ATOM 0 HB VAL A 11 2.925 -1.730 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.964 -2.014 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.785 -3.368 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.141 -3.583 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.030 -0.879 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.204 -2.446 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.477 -1.424 2.274 1.00 0.00 H new ATOM 174 N VAL A 12 4.241 -3.777 3.456 1.00 0.00 N ATOM 175 CA VAL A 12 5.571 -4.398 3.707 1.00 0.00 C ATOM 176 C VAL A 12 5.381 -5.742 4.416 1.00 0.00 C ATOM 177 O VAL A 12 6.119 -6.681 4.194 1.00 0.00 O ATOM 178 CB VAL A 12 6.408 -3.459 4.573 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.763 -4.100 4.876 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.630 -2.141 3.827 1.00 0.00 C ATOM 0 H VAL A 12 4.075 -2.899 3.949 1.00 0.00 H new ATOM 0 HA VAL A 12 6.086 -4.567 2.761 1.00 0.00 H new ATOM 0 HB VAL A 12 5.881 -3.270 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.355 -3.425 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.610 -5.039 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.291 -4.294 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.227 -1.470 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.154 -2.336 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.667 -1.677 3.614 1.00 0.00 H new ATOM 190 N GLU A 13 4.400 -5.839 5.271 1.00 0.00 N ATOM 191 CA GLU A 13 4.167 -7.120 5.999 1.00 0.00 C ATOM 192 C GLU A 13 4.009 -8.263 4.995 1.00 0.00 C ATOM 193 O GLU A 13 4.355 -9.395 5.270 1.00 0.00 O ATOM 194 CB GLU A 13 2.896 -7.007 6.839 1.00 0.00 C ATOM 195 CG GLU A 13 2.713 -8.279 7.664 1.00 0.00 C ATOM 196 CD GLU A 13 1.390 -8.208 8.428 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.690 -7.221 8.270 1.00 0.00 O ATOM 198 OE2 GLU A 13 1.100 -9.140 9.159 1.00 0.00 O ATOM 0 H GLU A 13 3.749 -5.087 5.497 1.00 0.00 H new ATOM 0 HA GLU A 13 5.018 -7.323 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.959 -6.140 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.033 -6.854 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.722 -9.152 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.542 -8.394 8.362 1.00 0.00 H new ATOM 205 N GLU A 14 3.489 -7.979 3.834 1.00 0.00 N ATOM 206 CA GLU A 14 3.309 -9.052 2.818 1.00 0.00 C ATOM 207 C GLU A 14 4.678 -9.567 2.367 1.00 0.00 C ATOM 208 O GLU A 14 4.832 -10.720 2.015 1.00 0.00 O ATOM 209 CB GLU A 14 2.550 -8.493 1.613 1.00 0.00 C ATOM 210 CG GLU A 14 1.134 -8.101 2.038 1.00 0.00 C ATOM 211 CD GLU A 14 0.354 -7.602 0.821 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.966 -7.425 -0.219 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.844 -7.405 0.949 1.00 0.00 O ATOM 0 H GLU A 14 3.181 -7.051 3.545 1.00 0.00 H new ATOM 0 HA GLU A 14 2.741 -9.873 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.073 -7.626 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.509 -9.238 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.626 -8.957 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.174 -7.323 2.801 1.00 0.00 H new ATOM 220 N PHE A 15 5.675 -8.724 2.372 1.00 0.00 N ATOM 221 CA PHE A 15 7.030 -9.174 1.940 1.00 0.00 C ATOM 222 C PHE A 15 8.100 -8.500 2.804 1.00 0.00 C ATOM 223 O PHE A 15 9.096 -8.016 2.307 1.00 0.00 O ATOM 224 CB PHE A 15 7.244 -8.799 0.470 1.00 0.00 C ATOM 225 CG PHE A 15 7.271 -7.295 0.328 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.073 -6.572 0.322 1.00 0.00 C ATOM 227 CD2 PHE A 15 8.494 -6.623 0.207 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.096 -5.178 0.193 1.00 0.00 C ATOM 229 CE2 PHE A 15 8.517 -5.229 0.079 1.00 0.00 C ATOM 230 CZ PHE A 15 7.318 -4.506 0.072 1.00 0.00 C ATOM 0 H PHE A 15 5.611 -7.746 2.655 1.00 0.00 H new ATOM 0 HA PHE A 15 7.107 -10.255 2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.180 -9.225 0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.445 -9.218 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.130 -7.090 0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.419 -7.180 0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.171 -4.621 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 15 9.460 -4.711 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.336 -3.431 -0.027 1.00 0.00 H new ATOM 240 N LEU A 16 7.905 -8.461 4.095 1.00 0.00 N ATOM 241 CA LEU A 16 8.915 -7.814 4.978 1.00 0.00 C ATOM 242 C LEU A 16 10.080 -8.779 5.242 1.00 0.00 C ATOM 243 O LEU A 16 9.871 -9.915 5.615 1.00 0.00 O ATOM 244 CB LEU A 16 8.259 -7.394 6.308 1.00 0.00 C ATOM 245 CG LEU A 16 8.421 -8.463 7.407 1.00 0.00 C ATOM 246 CD1 LEU A 16 7.760 -7.958 8.690 1.00 0.00 C ATOM 247 CD2 LEU A 16 7.745 -9.775 6.990 1.00 0.00 C ATOM 0 H LEU A 16 7.092 -8.848 4.574 1.00 0.00 H new ATOM 0 HA LEU A 16 9.303 -6.925 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.701 -6.457 6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.198 -7.205 6.143 1.00 0.00 H new ATOM 0 HG LEU A 16 9.484 -8.646 7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.869 -8.707 9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.238 -7.031 9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.701 -7.776 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.871 -10.516 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.682 -9.600 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.201 -10.143 6.071 1.00 0.00 H new ATOM 259 N PRO A 17 11.303 -8.332 5.078 1.00 0.00 N ATOM 260 CA PRO A 17 12.494 -9.182 5.339 1.00 0.00 C ATOM 261 C PRO A 17 12.740 -9.309 6.846 1.00 0.00 C ATOM 262 O PRO A 17 11.824 -9.210 7.637 1.00 0.00 O ATOM 263 CB PRO A 17 13.633 -8.418 4.657 1.00 0.00 C ATOM 264 CG PRO A 17 13.216 -6.988 4.699 1.00 0.00 C ATOM 265 CD PRO A 17 11.693 -6.980 4.630 1.00 0.00 C ATOM 0 HA PRO A 17 12.388 -10.200 4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.578 -8.569 5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.777 -8.757 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.566 -6.509 5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.645 -6.434 3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.269 -6.209 5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.341 -6.779 3.618 1.00 0.00 H new ATOM 273 N ASP A 18 13.957 -9.510 7.256 1.00 0.00 N ATOM 274 CA ASP A 18 14.234 -9.620 8.710 1.00 0.00 C ATOM 275 C ASP A 18 14.225 -8.216 9.320 1.00 0.00 C ATOM 276 O ASP A 18 14.654 -8.010 10.438 1.00 0.00 O ATOM 277 CB ASP A 18 15.604 -10.261 8.914 1.00 0.00 C ATOM 278 CG ASP A 18 15.562 -11.718 8.451 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.471 -12.216 8.225 1.00 0.00 O ATOM 280 OD2 ASP A 18 16.621 -12.311 8.329 1.00 0.00 O ATOM 0 H ASP A 18 14.771 -9.603 6.648 1.00 0.00 H new ATOM 0 HA ASP A 18 13.474 -10.235 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.361 -9.712 8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.887 -10.211 9.965 1.00 0.00 H new ATOM 285 N VAL A 19 13.745 -7.248 8.581 1.00 0.00 N ATOM 286 CA VAL A 19 13.710 -5.849 9.100 1.00 0.00 C ATOM 287 C VAL A 19 12.260 -5.399 9.287 1.00 0.00 C ATOM 288 O VAL A 19 11.416 -5.629 8.443 1.00 0.00 O ATOM 289 CB VAL A 19 14.389 -4.922 8.092 1.00 0.00 C ATOM 290 CG1 VAL A 19 14.498 -3.516 8.684 1.00 0.00 C ATOM 291 CG2 VAL A 19 15.789 -5.453 7.772 1.00 0.00 C ATOM 0 H VAL A 19 13.375 -7.368 7.638 1.00 0.00 H new ATOM 0 HA VAL A 19 14.230 -5.809 10.057 1.00 0.00 H new ATOM 0 HB VAL A 19 13.798 -4.885 7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.982 -2.855 7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.501 -3.138 8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.089 -3.551 9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.273 -4.792 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.381 -5.491 8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.710 -6.454 7.348 1.00 0.00 H new ATOM 301 N ALA A 20 11.966 -4.748 10.378 1.00 0.00 N ATOM 302 CA ALA A 20 10.573 -4.273 10.604 1.00 0.00 C ATOM 303 C ALA A 20 10.280 -3.114 9.635 1.00 0.00 C ATOM 304 O ALA A 20 11.125 -2.266 9.424 1.00 0.00 O ATOM 305 CB ALA A 20 10.435 -3.776 12.045 1.00 0.00 C ATOM 0 H ALA A 20 12.628 -4.525 11.121 1.00 0.00 H new ATOM 0 HA ALA A 20 9.870 -5.088 10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.416 -3.427 12.214 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.659 -4.591 12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.132 -2.955 12.215 1.00 0.00 H new ATOM 311 N PRO A 21 9.102 -3.055 9.051 1.00 0.00 N ATOM 312 CA PRO A 21 8.746 -1.954 8.107 1.00 0.00 C ATOM 313 C PRO A 21 9.091 -0.577 8.679 1.00 0.00 C ATOM 314 O PRO A 21 9.436 0.339 7.960 1.00 0.00 O ATOM 315 CB PRO A 21 7.233 -2.087 7.943 1.00 0.00 C ATOM 316 CG PRO A 21 6.922 -3.516 8.237 1.00 0.00 C ATOM 317 CD PRO A 21 7.993 -4.017 9.207 1.00 0.00 C ATOM 0 HA PRO A 21 9.296 -2.033 7.169 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.705 -1.422 8.626 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.923 -1.818 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.929 -3.612 8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.924 -4.107 7.321 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.624 -4.036 10.232 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.308 -5.031 8.963 1.00 0.00 H new ATOM 325 N ALA A 22 9.005 -0.428 9.970 1.00 0.00 N ATOM 326 CA ALA A 22 9.333 0.884 10.596 1.00 0.00 C ATOM 327 C ALA A 22 10.831 1.158 10.444 1.00 0.00 C ATOM 328 O ALA A 22 11.274 2.289 10.473 1.00 0.00 O ATOM 329 CB ALA A 22 8.971 0.840 12.081 1.00 0.00 C ATOM 0 H ALA A 22 8.721 -1.160 10.622 1.00 0.00 H new ATOM 0 HA ALA A 22 8.767 1.676 10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.210 1.798 12.542 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.905 0.640 12.190 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.540 0.050 12.571 1.00 0.00 H new ATOM 335 N ASP A 23 11.614 0.126 10.287 1.00 0.00 N ATOM 336 CA ASP A 23 13.084 0.313 10.137 1.00 0.00 C ATOM 337 C ASP A 23 13.471 0.134 8.671 1.00 0.00 C ATOM 338 O ASP A 23 14.636 0.089 8.327 1.00 0.00 O ATOM 339 CB ASP A 23 13.819 -0.723 10.991 1.00 0.00 C ATOM 340 CG ASP A 23 13.550 -0.448 12.471 1.00 0.00 C ATOM 341 OD1 ASP A 23 13.044 0.620 12.773 1.00 0.00 O ATOM 342 OD2 ASP A 23 13.854 -1.311 13.278 1.00 0.00 O ATOM 0 H ASP A 23 11.297 -0.843 10.256 1.00 0.00 H new ATOM 0 HA ASP A 23 13.360 1.315 10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.485 -1.727 10.730 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.890 -0.681 10.791 1.00 0.00 H new ATOM 347 N VAL A 24 12.505 0.034 7.802 1.00 0.00 N ATOM 348 CA VAL A 24 12.819 -0.138 6.359 1.00 0.00 C ATOM 349 C VAL A 24 12.825 1.233 5.687 1.00 0.00 C ATOM 350 O VAL A 24 12.044 2.102 6.020 1.00 0.00 O ATOM 351 CB VAL A 24 11.763 -1.035 5.704 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.628 -0.175 5.142 1.00 0.00 C ATOM 353 CG2 VAL A 24 12.408 -1.830 4.567 1.00 0.00 C ATOM 0 H VAL A 24 11.511 0.064 8.030 1.00 0.00 H new ATOM 0 HA VAL A 24 13.797 -0.605 6.247 1.00 0.00 H new ATOM 0 HB VAL A 24 11.360 -1.720 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.880 -0.818 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.167 0.393 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.028 0.513 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.659 -2.469 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.812 -1.141 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.213 -2.447 4.966 1.00 0.00 H new ATOM 363 N ASP A 25 13.707 1.442 4.752 1.00 0.00 N ATOM 364 CA ASP A 25 13.762 2.764 4.076 1.00 0.00 C ATOM 365 C ASP A 25 12.531 2.936 3.187 1.00 0.00 C ATOM 366 O ASP A 25 12.551 2.619 2.014 1.00 0.00 O ATOM 367 CB ASP A 25 15.026 2.846 3.217 1.00 0.00 C ATOM 368 CG ASP A 25 16.259 2.835 4.122 1.00 0.00 C ATOM 369 OD1 ASP A 25 16.095 3.018 5.317 1.00 0.00 O ATOM 370 OD2 ASP A 25 17.348 2.645 3.605 1.00 0.00 O ATOM 0 H ASP A 25 14.390 0.757 4.428 1.00 0.00 H new ATOM 0 HA ASP A 25 13.780 3.554 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.063 2.005 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.011 3.755 2.615 1.00 0.00 H new ATOM 375 N VAL A 26 11.458 3.443 3.733 1.00 0.00 N ATOM 376 CA VAL A 26 10.231 3.641 2.919 1.00 0.00 C ATOM 377 C VAL A 26 10.538 4.582 1.749 1.00 0.00 C ATOM 378 O VAL A 26 9.665 4.946 0.986 1.00 0.00 O ATOM 379 CB VAL A 26 9.148 4.256 3.803 1.00 0.00 C ATOM 380 CG1 VAL A 26 9.681 5.536 4.449 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.930 4.590 2.949 1.00 0.00 C ATOM 0 H VAL A 26 11.381 3.728 4.709 1.00 0.00 H new ATOM 0 HA VAL A 26 9.888 2.684 2.526 1.00 0.00 H new ATOM 0 HB VAL A 26 8.867 3.547 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.908 5.974 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.555 5.300 5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.961 6.247 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.155 5.029 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.214 5.300 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.549 3.679 2.486 1.00 0.00 H new ATOM 391 N ASP A 27 11.777 4.967 1.592 1.00 0.00 N ATOM 392 CA ASP A 27 12.144 5.869 0.465 1.00 0.00 C ATOM 393 C ASP A 27 12.659 5.018 -0.697 1.00 0.00 C ATOM 394 O ASP A 27 13.191 5.522 -1.666 1.00 0.00 O ATOM 395 CB ASP A 27 13.241 6.836 0.918 1.00 0.00 C ATOM 396 CG ASP A 27 12.681 7.781 1.982 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.471 7.818 2.136 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.471 8.451 2.626 1.00 0.00 O ATOM 0 H ASP A 27 12.551 4.694 2.198 1.00 0.00 H new ATOM 0 HA ASP A 27 11.272 6.442 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.088 6.280 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.611 7.408 0.067 1.00 0.00 H new ATOM 403 N LEU A 28 12.506 3.726 -0.599 1.00 0.00 N ATOM 404 CA LEU A 28 12.984 2.823 -1.683 1.00 0.00 C ATOM 405 C LEU A 28 11.881 2.645 -2.720 1.00 0.00 C ATOM 406 O LEU A 28 10.730 2.442 -2.388 1.00 0.00 O ATOM 407 CB LEU A 28 13.331 1.457 -1.087 1.00 0.00 C ATOM 408 CG LEU A 28 13.960 0.562 -2.159 1.00 0.00 C ATOM 409 CD1 LEU A 28 15.471 0.793 -2.197 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.672 -0.905 -1.828 1.00 0.00 C ATOM 0 H LEU A 28 12.067 3.254 0.192 1.00 0.00 H new ATOM 0 HA LEU A 28 13.866 3.258 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.022 1.580 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.432 0.986 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 28 13.535 0.805 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.917 0.156 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.674 1.838 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.901 0.551 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.119 -1.544 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.098 -1.149 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.594 -1.068 -1.804 1.00 0.00 H new ATOM 422 N ASP A 29 12.222 2.702 -3.976 1.00 0.00 N ATOM 423 CA ASP A 29 11.186 2.515 -5.020 1.00 0.00 C ATOM 424 C ASP A 29 10.664 1.085 -4.917 1.00 0.00 C ATOM 425 O ASP A 29 11.413 0.133 -5.018 1.00 0.00 O ATOM 426 CB ASP A 29 11.800 2.744 -6.402 1.00 0.00 C ATOM 427 CG ASP A 29 12.245 4.201 -6.528 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.838 4.998 -5.699 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.986 4.496 -7.452 1.00 0.00 O ATOM 0 H ASP A 29 13.167 2.869 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 29 10.372 3.225 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.651 2.079 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.073 2.506 -7.178 1.00 0.00 H new ATOM 434 N LEU A 30 9.392 0.921 -4.701 1.00 0.00 N ATOM 435 CA LEU A 30 8.838 -0.453 -4.574 1.00 0.00 C ATOM 436 C LEU A 30 8.633 -1.059 -5.964 1.00 0.00 C ATOM 437 O LEU A 30 8.019 -2.096 -6.114 1.00 0.00 O ATOM 438 CB LEU A 30 7.503 -0.398 -3.827 1.00 0.00 C ATOM 439 CG LEU A 30 6.468 0.346 -4.672 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.374 -0.629 -5.108 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.846 1.467 -3.840 1.00 0.00 C ATOM 0 H LEU A 30 8.713 1.676 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 30 9.537 -1.075 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.153 -1.408 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.632 0.104 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 30 6.951 0.770 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.635 -0.101 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.816 -1.432 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.890 -1.050 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.108 1.999 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.361 1.042 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.625 2.161 -3.524 1.00 0.00 H new ATOM 453 N VAL A 31 9.140 -0.419 -6.983 1.00 0.00 N ATOM 454 CA VAL A 31 8.968 -0.965 -8.358 1.00 0.00 C ATOM 455 C VAL A 31 9.519 -2.388 -8.405 1.00 0.00 C ATOM 456 O VAL A 31 8.936 -3.272 -9.001 1.00 0.00 O ATOM 457 CB VAL A 31 9.724 -0.088 -9.358 1.00 0.00 C ATOM 458 CG1 VAL A 31 9.727 -0.763 -10.730 1.00 0.00 C ATOM 459 CG2 VAL A 31 9.033 1.274 -9.463 1.00 0.00 C ATOM 0 H VAL A 31 9.663 0.454 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 31 7.910 -0.973 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 31 10.751 0.048 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.266 -0.138 -11.442 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.217 -1.734 -10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.701 -0.899 -11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.570 1.901 -10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.007 1.136 -9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.030 1.757 -8.486 1.00 0.00 H new ATOM 469 N ASP A 32 10.633 -2.619 -7.772 1.00 0.00 N ATOM 470 CA ASP A 32 11.213 -3.991 -7.769 1.00 0.00 C ATOM 471 C ASP A 32 10.168 -4.959 -7.217 1.00 0.00 C ATOM 472 O ASP A 32 10.026 -6.074 -7.678 1.00 0.00 O ATOM 473 CB ASP A 32 12.461 -4.022 -6.884 1.00 0.00 C ATOM 474 CG ASP A 32 13.564 -3.179 -7.527 1.00 0.00 C ATOM 475 OD1 ASP A 32 13.408 -2.816 -8.681 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.546 -2.912 -6.854 1.00 0.00 O ATOM 0 H ASP A 32 11.167 -1.919 -7.257 1.00 0.00 H new ATOM 0 HA ASP A 32 11.492 -4.280 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.226 -3.637 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.802 -5.049 -6.754 1.00 0.00 H new ATOM 481 N ASN A 33 9.425 -4.528 -6.236 1.00 0.00 N ATOM 482 CA ASN A 33 8.372 -5.399 -5.648 1.00 0.00 C ATOM 483 C ASN A 33 7.087 -5.232 -6.457 1.00 0.00 C ATOM 484 O ASN A 33 6.022 -5.651 -6.049 1.00 0.00 O ATOM 485 CB ASN A 33 8.123 -4.989 -4.199 1.00 0.00 C ATOM 486 CG ASN A 33 9.426 -5.097 -3.408 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.860 -6.181 -3.073 1.00 0.00 O ATOM 488 ND2 ASN A 33 10.076 -4.010 -3.099 1.00 0.00 N ATOM 0 H ASN A 33 9.504 -3.603 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 33 8.693 -6.440 -5.674 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.744 -3.968 -4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.361 -5.629 -3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.950 -4.069 -2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.711 -3.100 -3.381 1.00 0.00 H new ATOM 495 N GLY A 34 7.184 -4.610 -7.601 1.00 0.00 N ATOM 496 CA GLY A 34 5.978 -4.397 -8.448 1.00 0.00 C ATOM 497 C GLY A 34 5.137 -5.672 -8.480 1.00 0.00 C ATOM 498 O GLY A 34 3.984 -5.653 -8.856 1.00 0.00 O ATOM 0 H GLY A 34 8.052 -4.239 -7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.387 -3.570 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.277 -4.122 -9.460 1.00 0.00 H new ATOM 502 N VAL A 35 5.697 -6.781 -8.084 1.00 0.00 N ATOM 503 CA VAL A 35 4.912 -8.047 -8.095 1.00 0.00 C ATOM 504 C VAL A 35 3.590 -7.818 -7.361 1.00 0.00 C ATOM 505 O VAL A 35 2.583 -8.425 -7.665 1.00 0.00 O ATOM 506 CB VAL A 35 5.704 -9.144 -7.389 1.00 0.00 C ATOM 507 CG1 VAL A 35 5.601 -8.940 -5.882 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.125 -10.512 -7.760 1.00 0.00 C ATOM 0 H VAL A 35 6.659 -6.866 -7.755 1.00 0.00 H new ATOM 0 HA VAL A 35 4.716 -8.351 -9.123 1.00 0.00 H new ATOM 0 HB VAL A 35 6.749 -9.100 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.164 -9.720 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.010 -7.965 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.555 -8.989 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.691 -11.295 -7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.081 -10.561 -7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.190 -10.654 -8.839 1.00 0.00 H new ATOM 518 N ILE A 36 3.591 -6.942 -6.395 1.00 0.00 N ATOM 519 CA ILE A 36 2.343 -6.659 -5.631 1.00 0.00 C ATOM 520 C ILE A 36 1.356 -5.899 -6.519 1.00 0.00 C ATOM 521 O ILE A 36 0.169 -5.870 -6.267 1.00 0.00 O ATOM 522 CB ILE A 36 2.686 -5.784 -4.425 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.656 -6.009 -3.321 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.661 -4.312 -4.843 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.985 -5.115 -2.124 1.00 0.00 C ATOM 0 H ILE A 36 4.408 -6.407 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 36 1.898 -7.599 -5.306 1.00 0.00 H new ATOM 0 HB ILE A 36 3.678 -6.046 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.656 -5.785 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.656 -7.056 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.905 -3.686 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.393 -4.146 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.667 -4.054 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.249 -5.276 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.978 -5.361 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.962 -4.070 -2.433 1.00 0.00 H new ATOM 537 N ASP A 37 1.855 -5.254 -7.532 1.00 0.00 N ATOM 538 CA ASP A 37 0.978 -4.447 -8.432 1.00 0.00 C ATOM 539 C ASP A 37 -0.173 -5.282 -9.003 1.00 0.00 C ATOM 540 O ASP A 37 -1.255 -4.772 -9.212 1.00 0.00 O ATOM 541 CB ASP A 37 1.811 -3.894 -9.589 1.00 0.00 C ATOM 542 CG ASP A 37 2.838 -2.897 -9.050 1.00 0.00 C ATOM 543 OD1 ASP A 37 2.699 -2.494 -7.906 1.00 0.00 O ATOM 544 OD2 ASP A 37 3.745 -2.552 -9.789 1.00 0.00 O ATOM 0 H ASP A 37 2.844 -5.249 -7.781 1.00 0.00 H new ATOM 0 HA ASP A 37 0.551 -3.636 -7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.317 -4.708 -10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.163 -3.406 -10.317 1.00 0.00 H new ATOM 549 N SER A 38 0.044 -6.538 -9.293 1.00 0.00 N ATOM 550 CA SER A 38 -1.060 -7.359 -9.881 1.00 0.00 C ATOM 551 C SER A 38 -1.483 -8.489 -8.939 1.00 0.00 C ATOM 552 O SER A 38 -2.603 -8.531 -8.472 1.00 0.00 O ATOM 553 CB SER A 38 -0.594 -7.957 -11.208 1.00 0.00 C ATOM 554 OG SER A 38 -0.324 -6.900 -12.135 1.00 0.00 O ATOM 0 H SER A 38 0.927 -7.028 -9.151 1.00 0.00 H new ATOM 0 HA SER A 38 -1.920 -6.708 -10.038 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.302 -8.559 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.359 -8.621 -11.609 1.00 0.00 H new ATOM 559 N LEU A 39 -0.611 -9.421 -8.680 1.00 0.00 N ATOM 560 CA LEU A 39 -0.988 -10.560 -7.797 1.00 0.00 C ATOM 561 C LEU A 39 -1.337 -10.051 -6.403 1.00 0.00 C ATOM 562 O LEU A 39 -2.382 -10.352 -5.862 1.00 0.00 O ATOM 563 CB LEU A 39 0.184 -11.539 -7.707 1.00 0.00 C ATOM 564 CG LEU A 39 -0.242 -12.797 -6.946 1.00 0.00 C ATOM 565 CD1 LEU A 39 0.395 -14.026 -7.596 1.00 0.00 C ATOM 566 CD2 LEU A 39 0.226 -12.700 -5.490 1.00 0.00 C ATOM 0 H LEU A 39 0.343 -9.445 -9.039 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.858 -11.065 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.523 -11.807 -8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.026 -11.066 -7.202 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.328 -12.885 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.092 -14.922 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.067 -14.100 -8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.481 -13.933 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.078 -13.596 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.312 -12.610 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.223 -11.824 -5.021 1.00 0.00 H new ATOM 578 N GLY A 40 -0.471 -9.282 -5.817 1.00 0.00 N ATOM 579 CA GLY A 40 -0.748 -8.749 -4.460 1.00 0.00 C ATOM 580 C GLY A 40 -1.854 -7.701 -4.533 1.00 0.00 C ATOM 581 O GLY A 40 -2.707 -7.619 -3.672 1.00 0.00 O ATOM 0 H GLY A 40 0.422 -8.998 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.046 -9.559 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.156 -8.308 -4.041 1.00 0.00 H new ATOM 585 N LEU A 41 -1.839 -6.889 -5.553 1.00 0.00 N ATOM 586 CA LEU A 41 -2.883 -5.836 -5.678 1.00 0.00 C ATOM 587 C LEU A 41 -4.266 -6.486 -5.718 1.00 0.00 C ATOM 588 O LEU A 41 -5.208 -5.998 -5.127 1.00 0.00 O ATOM 589 CB LEU A 41 -2.652 -5.050 -6.968 1.00 0.00 C ATOM 590 CG LEU A 41 -3.633 -3.877 -7.040 1.00 0.00 C ATOM 591 CD1 LEU A 41 -3.253 -2.812 -6.008 1.00 0.00 C ATOM 592 CD2 LEU A 41 -3.590 -3.264 -8.441 1.00 0.00 C ATOM 0 H LEU A 41 -1.149 -6.909 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.826 -5.163 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.627 -4.682 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.786 -5.702 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.639 -4.239 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.956 -1.981 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.286 -3.246 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.246 -2.450 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.288 -2.429 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.581 -2.908 -8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.870 -4.018 -9.177 1.00 0.00 H new ATOM 604 N LEU A 42 -4.397 -7.582 -6.409 1.00 0.00 N ATOM 605 CA LEU A 42 -5.725 -8.255 -6.480 1.00 0.00 C ATOM 606 C LEU A 42 -6.123 -8.739 -5.086 1.00 0.00 C ATOM 607 O LEU A 42 -7.246 -8.568 -4.655 1.00 0.00 O ATOM 608 CB LEU A 42 -5.644 -9.452 -7.429 1.00 0.00 C ATOM 609 CG LEU A 42 -6.184 -9.069 -8.806 1.00 0.00 C ATOM 610 CD1 LEU A 42 -7.708 -8.948 -8.744 1.00 0.00 C ATOM 611 CD2 LEU A 42 -5.586 -7.734 -9.240 1.00 0.00 C ATOM 0 H LEU A 42 -3.647 -8.040 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.469 -7.550 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.611 -9.788 -7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.217 -10.286 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.909 -9.840 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.092 -8.675 -9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.137 -9.903 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.983 -8.180 -8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.973 -7.464 -10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.856 -6.963 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.501 -7.820 -9.289 1.00 0.00 H new ATOM 623 N LYS A 43 -5.208 -9.336 -4.375 1.00 0.00 N ATOM 624 CA LYS A 43 -5.529 -9.823 -3.008 1.00 0.00 C ATOM 625 C LYS A 43 -5.866 -8.633 -2.107 1.00 0.00 C ATOM 626 O LYS A 43 -6.749 -8.700 -1.276 1.00 0.00 O ATOM 627 CB LYS A 43 -4.324 -10.569 -2.444 1.00 0.00 C ATOM 628 CG LYS A 43 -4.072 -11.833 -3.269 1.00 0.00 C ATOM 629 CD LYS A 43 -2.876 -12.593 -2.690 1.00 0.00 C ATOM 630 CE LYS A 43 -3.223 -13.115 -1.294 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.566 -14.436 -1.080 1.00 0.00 N ATOM 0 H LYS A 43 -4.251 -9.507 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.386 -10.495 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.443 -9.927 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.502 -10.832 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.958 -12.468 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.879 -11.569 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.610 -13.424 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.007 -11.937 -2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.892 -12.405 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.303 -13.213 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.802 -14.791 -0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.903 -15.111 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.535 -14.328 -1.163 1.00 0.00 H new ATOM 645 N VAL A 44 -5.163 -7.544 -2.265 1.00 0.00 N ATOM 646 CA VAL A 44 -5.437 -6.348 -1.417 1.00 0.00 C ATOM 647 C VAL A 44 -6.846 -5.823 -1.698 1.00 0.00 C ATOM 648 O VAL A 44 -7.596 -5.513 -0.795 1.00 0.00 O ATOM 649 CB VAL A 44 -4.415 -5.258 -1.739 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.801 -3.965 -1.020 1.00 0.00 C ATOM 651 CG2 VAL A 44 -3.031 -5.709 -1.270 1.00 0.00 C ATOM 0 H VAL A 44 -4.411 -7.431 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.362 -6.626 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.397 -5.081 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.071 -3.189 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.789 -3.645 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.819 -4.138 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.299 -4.934 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.051 -5.884 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.755 -6.630 -1.783 1.00 0.00 H new ATOM 661 N ILE A 45 -7.213 -5.720 -2.943 1.00 0.00 N ATOM 662 CA ILE A 45 -8.571 -5.214 -3.279 1.00 0.00 C ATOM 663 C ILE A 45 -9.627 -6.158 -2.700 1.00 0.00 C ATOM 664 O ILE A 45 -10.611 -5.729 -2.131 1.00 0.00 O ATOM 665 CB ILE A 45 -8.715 -5.140 -4.802 1.00 0.00 C ATOM 666 CG1 ILE A 45 -8.361 -3.729 -5.283 1.00 0.00 C ATOM 667 CG2 ILE A 45 -10.155 -5.465 -5.202 1.00 0.00 C ATOM 668 CD1 ILE A 45 -7.024 -3.292 -4.680 1.00 0.00 C ATOM 0 H ILE A 45 -6.630 -5.965 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.712 -4.221 -2.853 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.040 -5.863 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.302 -3.711 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.146 -3.030 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.252 -5.411 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.408 -6.470 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.832 -4.746 -4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.779 -2.288 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.098 -3.292 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.241 -3.984 -4.991 1.00 0.00 H new ATOM 680 N ALA A 46 -9.435 -7.440 -2.845 1.00 0.00 N ATOM 681 CA ALA A 46 -10.433 -8.406 -2.306 1.00 0.00 C ATOM 682 C ALA A 46 -10.503 -8.282 -0.783 1.00 0.00 C ATOM 683 O ALA A 46 -11.569 -8.260 -0.200 1.00 0.00 O ATOM 684 CB ALA A 46 -10.008 -9.826 -2.680 1.00 0.00 C ATOM 0 H ALA A 46 -8.632 -7.860 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.414 -8.189 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.734 -10.538 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.959 -9.917 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.027 -10.036 -2.254 1.00 0.00 H new ATOM 690 N TRP A 47 -9.375 -8.196 -0.133 1.00 0.00 N ATOM 691 CA TRP A 47 -9.378 -8.069 1.350 1.00 0.00 C ATOM 692 C TRP A 47 -9.832 -6.663 1.739 1.00 0.00 C ATOM 693 O TRP A 47 -10.553 -6.475 2.699 1.00 0.00 O ATOM 694 CB TRP A 47 -7.968 -8.319 1.887 1.00 0.00 C ATOM 695 CG TRP A 47 -7.748 -7.490 3.112 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.103 -7.844 4.368 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.128 -6.178 3.216 1.00 0.00 C ATOM 698 NE1 TRP A 47 -7.739 -6.830 5.236 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.133 -5.781 4.573 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.567 -5.302 2.273 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.599 -4.558 4.978 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.029 -4.071 2.674 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.044 -3.700 4.024 1.00 0.00 C ATOM 0 H TRP A 47 -8.451 -8.208 -0.566 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.062 -8.802 1.777 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.838 -9.376 2.122 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.228 -8.068 1.127 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.590 -8.766 4.647 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.899 -6.854 6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.550 -5.579 1.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.614 -4.276 6.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.601 -3.406 1.938 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.627 -2.751 4.328 1.00 0.00 H new ATOM 714 N LEU A 48 -9.410 -5.674 1.003 1.00 0.00 N ATOM 715 CA LEU A 48 -9.808 -4.280 1.331 1.00 0.00 C ATOM 716 C LEU A 48 -11.333 -4.172 1.330 1.00 0.00 C ATOM 717 O LEU A 48 -11.918 -3.530 2.180 1.00 0.00 O ATOM 718 CB LEU A 48 -9.225 -3.334 0.279 1.00 0.00 C ATOM 719 CG LEU A 48 -9.454 -1.889 0.701 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.355 -1.472 1.674 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.413 -0.989 -0.535 1.00 0.00 C ATOM 0 H LEU A 48 -8.806 -5.772 0.187 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.430 -4.010 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.158 -3.523 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.693 -3.518 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.426 -1.794 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.513 -0.438 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.381 -2.118 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.384 -1.562 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.577 0.047 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.440 -1.078 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.193 -1.293 -1.233 1.00 0.00 H new ATOM 733 N GLU A 49 -11.984 -4.801 0.391 1.00 0.00 N ATOM 734 CA GLU A 49 -13.471 -4.736 0.353 1.00 0.00 C ATOM 735 C GLU A 49 -14.028 -5.364 1.630 1.00 0.00 C ATOM 736 O GLU A 49 -14.947 -4.854 2.234 1.00 0.00 O ATOM 737 CB GLU A 49 -13.983 -5.506 -0.869 1.00 0.00 C ATOM 738 CG GLU A 49 -15.484 -5.774 -0.728 1.00 0.00 C ATOM 739 CD GLU A 49 -15.705 -7.208 -0.244 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.043 -8.095 -0.757 1.00 0.00 O ATOM 741 OE2 GLU A 49 -16.533 -7.396 0.632 1.00 0.00 O ATOM 0 H GLU A 49 -11.552 -5.355 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.796 -3.698 0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.791 -4.933 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.445 -6.449 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.925 -5.069 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.983 -5.621 -1.685 1.00 0.00 H new ATOM 748 N ASP A 50 -13.476 -6.467 2.045 1.00 0.00 N ATOM 749 CA ASP A 50 -13.970 -7.128 3.284 1.00 0.00 C ATOM 750 C ASP A 50 -13.654 -6.258 4.504 1.00 0.00 C ATOM 751 O ASP A 50 -14.443 -6.144 5.421 1.00 0.00 O ATOM 752 CB ASP A 50 -13.279 -8.480 3.439 1.00 0.00 C ATOM 753 CG ASP A 50 -13.938 -9.265 4.575 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.947 -8.802 5.081 1.00 0.00 O ATOM 755 OD2 ASP A 50 -13.422 -10.315 4.920 1.00 0.00 O ATOM 0 H ASP A 50 -12.702 -6.941 1.579 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.049 -7.266 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.346 -9.043 2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.219 -8.336 3.650 1.00 0.00 H new ATOM 760 N ARG A 51 -12.493 -5.666 4.530 1.00 0.00 N ATOM 761 CA ARG A 51 -12.101 -4.825 5.698 1.00 0.00 C ATOM 762 C ARG A 51 -13.058 -3.637 5.861 1.00 0.00 C ATOM 763 O ARG A 51 -13.482 -3.326 6.957 1.00 0.00 O ATOM 764 CB ARG A 51 -10.675 -4.303 5.478 1.00 0.00 C ATOM 765 CG ARG A 51 -10.175 -3.564 6.727 1.00 0.00 C ATOM 766 CD ARG A 51 -9.647 -4.568 7.758 1.00 0.00 C ATOM 767 NE ARG A 51 -9.173 -3.834 8.964 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.793 -4.495 10.023 1.00 0.00 C ATOM 769 NH1 ARG A 51 -8.828 -5.800 10.025 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.379 -3.852 11.080 1.00 0.00 N ATOM 0 H ARG A 51 -11.794 -5.728 3.789 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.148 -5.432 6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.008 -5.134 5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.655 -3.632 4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.386 -2.864 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.985 -2.978 7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.433 -5.272 8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.832 -5.151 7.330 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.145 -2.814 8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.152 -6.303 9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.531 -6.317 10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.352 -2.832 11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.082 -4.369 11.908 1.00 0.00 H new ATOM 784 N PHE A 52 -13.385 -2.955 4.793 1.00 0.00 N ATOM 785 CA PHE A 52 -14.290 -1.777 4.909 1.00 0.00 C ATOM 786 C PHE A 52 -15.652 -2.071 4.275 1.00 0.00 C ATOM 787 O PHE A 52 -16.556 -1.262 4.335 1.00 0.00 O ATOM 788 CB PHE A 52 -13.647 -0.596 4.186 1.00 0.00 C ATOM 789 CG PHE A 52 -12.379 -0.196 4.902 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.438 0.683 5.991 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.145 -0.702 4.477 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.263 1.055 6.654 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.970 -0.330 5.141 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.029 0.548 6.230 1.00 0.00 C ATOM 0 H PHE A 52 -13.064 -3.164 3.848 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.442 -1.549 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.425 -0.866 3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.340 0.245 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.390 1.074 6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.099 -1.379 3.637 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.308 1.733 7.493 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.018 -0.720 4.813 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.123 0.834 6.743 1.00 0.00 H new ATOM 804 N GLY A 53 -15.814 -3.209 3.663 1.00 0.00 N ATOM 805 CA GLY A 53 -17.126 -3.521 3.027 1.00 0.00 C ATOM 806 C GLY A 53 -17.300 -2.644 1.785 1.00 0.00 C ATOM 807 O GLY A 53 -18.393 -2.228 1.453 1.00 0.00 O ATOM 0 H GLY A 53 -15.101 -3.933 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.170 -4.575 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.938 -3.341 3.732 1.00 0.00 H new ATOM 811 N ILE A 54 -16.226 -2.348 1.104 1.00 0.00 N ATOM 812 CA ILE A 54 -16.318 -1.486 -0.109 1.00 0.00 C ATOM 813 C ILE A 54 -16.176 -2.346 -1.366 1.00 0.00 C ATOM 814 O ILE A 54 -15.446 -3.315 -1.388 1.00 0.00 O ATOM 815 CB ILE A 54 -15.193 -0.454 -0.073 1.00 0.00 C ATOM 816 CG1 ILE A 54 -15.281 0.345 1.228 1.00 0.00 C ATOM 817 CG2 ILE A 54 -15.330 0.495 -1.264 1.00 0.00 C ATOM 818 CD1 ILE A 54 -14.000 1.157 1.412 1.00 0.00 C ATOM 0 H ILE A 54 -15.286 -2.667 1.337 1.00 0.00 H new ATOM 0 HA ILE A 54 -17.284 -0.982 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.231 -0.963 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -16.145 1.009 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.422 -0.329 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.526 1.231 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -15.270 -0.074 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -16.292 1.006 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -14.061 1.727 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -13.145 0.483 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.879 1.841 0.572 1.00 0.00 H new ATOM 830 N ALA A 55 -16.867 -1.998 -2.415 1.00 0.00 N ATOM 831 CA ALA A 55 -16.773 -2.797 -3.668 1.00 0.00 C ATOM 832 C ALA A 55 -15.332 -2.771 -4.175 1.00 0.00 C ATOM 833 O ALA A 55 -14.597 -1.832 -3.942 1.00 0.00 O ATOM 834 CB ALA A 55 -17.699 -2.196 -4.728 1.00 0.00 C ATOM 0 H ALA A 55 -17.493 -1.194 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.072 -3.826 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -17.630 -2.781 -5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -18.726 -2.211 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -17.401 -1.167 -4.931 1.00 0.00 H new ATOM 840 N ALA A 56 -14.917 -3.804 -4.856 1.00 0.00 N ATOM 841 CA ALA A 56 -13.518 -3.847 -5.363 1.00 0.00 C ATOM 842 C ALA A 56 -13.250 -2.636 -6.256 1.00 0.00 C ATOM 843 O ALA A 56 -12.167 -2.084 -6.255 1.00 0.00 O ATOM 844 CB ALA A 56 -13.307 -5.130 -6.168 1.00 0.00 C ATOM 0 H ALA A 56 -15.487 -4.619 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.830 -3.828 -4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.283 -5.162 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.489 -5.994 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.999 -5.149 -7.010 1.00 0.00 H new ATOM 850 N ASP A 57 -14.219 -2.214 -7.018 1.00 0.00 N ATOM 851 CA ASP A 57 -13.996 -1.037 -7.903 1.00 0.00 C ATOM 852 C ASP A 57 -12.739 -1.276 -8.739 1.00 0.00 C ATOM 853 O ASP A 57 -11.847 -0.453 -8.788 1.00 0.00 O ATOM 854 CB ASP A 57 -13.813 0.218 -7.050 1.00 0.00 C ATOM 855 CG ASP A 57 -15.111 0.522 -6.301 1.00 0.00 C ATOM 856 OD1 ASP A 57 -16.128 -0.050 -6.659 1.00 0.00 O ATOM 857 OD2 ASP A 57 -15.068 1.322 -5.380 1.00 0.00 O ATOM 0 H ASP A 57 -15.149 -2.629 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.855 -0.901 -8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.998 0.073 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.539 1.063 -7.682 1.00 0.00 H new ATOM 862 N ASP A 58 -12.653 -2.407 -9.384 1.00 0.00 N ATOM 863 CA ASP A 58 -11.445 -2.709 -10.199 1.00 0.00 C ATOM 864 C ASP A 58 -11.419 -1.820 -11.444 1.00 0.00 C ATOM 865 O ASP A 58 -12.285 -1.891 -12.293 1.00 0.00 O ATOM 866 CB ASP A 58 -11.473 -4.176 -10.624 1.00 0.00 C ATOM 867 CG ASP A 58 -10.168 -4.526 -11.342 1.00 0.00 C ATOM 868 OD1 ASP A 58 -9.292 -3.678 -11.384 1.00 0.00 O ATOM 869 OD2 ASP A 58 -10.067 -5.637 -11.836 1.00 0.00 O ATOM 0 H ASP A 58 -13.368 -3.135 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.554 -2.516 -9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.603 -4.816 -9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.323 -4.359 -11.282 1.00 0.00 H new ATOM 874 N VAL A 59 -10.420 -0.987 -11.554 1.00 0.00 N ATOM 875 CA VAL A 59 -10.310 -0.088 -12.737 1.00 0.00 C ATOM 876 C VAL A 59 -8.899 -0.204 -13.313 1.00 0.00 C ATOM 877 O VAL A 59 -7.995 -0.688 -12.662 1.00 0.00 O ATOM 878 CB VAL A 59 -10.573 1.357 -12.308 1.00 0.00 C ATOM 879 CG1 VAL A 59 -11.957 1.455 -11.665 1.00 0.00 C ATOM 880 CG2 VAL A 59 -9.509 1.788 -11.296 1.00 0.00 C ATOM 0 H VAL A 59 -9.670 -0.891 -10.869 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.043 -0.375 -13.491 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.532 2.009 -13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -12.144 2.484 -11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.715 1.147 -12.385 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.999 0.804 -10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.695 2.817 -10.989 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.551 1.136 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.522 1.718 -11.754 1.00 0.00 H new ATOM 890 N GLU A 60 -8.695 0.229 -14.527 1.00 0.00 N ATOM 891 CA GLU A 60 -7.333 0.129 -15.121 1.00 0.00 C ATOM 892 C GLU A 60 -6.351 0.938 -14.272 1.00 0.00 C ATOM 893 O GLU A 60 -6.559 2.107 -14.011 1.00 0.00 O ATOM 894 CB GLU A 60 -7.356 0.687 -16.546 1.00 0.00 C ATOM 895 CG GLU A 60 -6.003 0.455 -17.208 1.00 0.00 C ATOM 896 CD GLU A 60 -5.989 1.110 -18.590 1.00 0.00 C ATOM 897 OE1 GLU A 60 -6.990 1.709 -18.950 1.00 0.00 O ATOM 898 OE2 GLU A 60 -4.979 1.002 -19.265 1.00 0.00 O ATOM 0 H GLU A 60 -9.406 0.644 -15.129 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.020 -0.915 -15.146 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.143 0.203 -17.124 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.585 1.753 -16.526 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.208 0.871 -16.589 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.810 -0.614 -17.299 1.00 0.00 H new ATOM 905 N LEU A 61 -5.284 0.321 -13.838 1.00 0.00 N ATOM 906 CA LEU A 61 -4.282 1.040 -13.003 1.00 0.00 C ATOM 907 C LEU A 61 -2.945 1.097 -13.745 1.00 0.00 C ATOM 908 O LEU A 61 -2.566 0.167 -14.429 1.00 0.00 O ATOM 909 CB LEU A 61 -4.100 0.300 -11.677 1.00 0.00 C ATOM 910 CG LEU A 61 -5.459 0.143 -10.993 1.00 0.00 C ATOM 911 CD1 LEU A 61 -5.865 -1.332 -10.994 1.00 0.00 C ATOM 912 CD2 LEU A 61 -5.365 0.644 -9.550 1.00 0.00 C ATOM 0 H LEU A 61 -5.064 -0.657 -14.028 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.631 2.054 -12.808 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.653 -0.679 -11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.417 0.851 -11.031 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.206 0.725 -11.533 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.834 -1.443 -10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.933 -1.690 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.118 -1.915 -10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.333 0.532 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.618 0.062 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.077 1.695 -9.548 1.00 0.00 H new ATOM 924 N SER A 62 -2.226 2.179 -13.614 1.00 0.00 N ATOM 925 CA SER A 62 -0.915 2.291 -14.310 1.00 0.00 C ATOM 926 C SER A 62 0.217 2.062 -13.303 1.00 0.00 C ATOM 927 O SER A 62 0.049 2.260 -12.116 1.00 0.00 O ATOM 928 CB SER A 62 -0.779 3.686 -14.921 1.00 0.00 C ATOM 929 OG SER A 62 -0.485 3.565 -16.306 1.00 0.00 O ATOM 0 H SER A 62 -2.491 2.990 -13.055 1.00 0.00 H new ATOM 0 HA SER A 62 -0.857 1.542 -15.100 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.702 4.248 -14.781 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.012 4.241 -14.417 1.00 0.00 H new ATOM 0 HG SER A 62 -0.399 4.458 -16.701 1.00 0.00 H new ATOM 935 N PRO A 63 1.362 1.645 -13.776 1.00 0.00 N ATOM 936 CA PRO A 63 2.547 1.381 -12.907 1.00 0.00 C ATOM 937 C PRO A 63 3.028 2.644 -12.185 1.00 0.00 C ATOM 938 O PRO A 63 3.652 2.577 -11.145 1.00 0.00 O ATOM 939 CB PRO A 63 3.622 0.875 -13.875 1.00 0.00 C ATOM 940 CG PRO A 63 3.178 1.295 -15.237 1.00 0.00 C ATOM 941 CD PRO A 63 1.655 1.384 -15.192 1.00 0.00 C ATOM 0 HA PRO A 63 2.311 0.668 -12.117 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.596 1.300 -13.634 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.723 -0.209 -13.814 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.614 2.257 -15.507 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.502 0.575 -15.989 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.282 2.184 -15.832 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.190 0.459 -15.533 1.00 0.00 H new ATOM 949 N GLU A 64 2.746 3.794 -12.733 1.00 0.00 N ATOM 950 CA GLU A 64 3.190 5.060 -12.083 1.00 0.00 C ATOM 951 C GLU A 64 2.540 5.186 -10.704 1.00 0.00 C ATOM 952 O GLU A 64 3.111 5.742 -9.786 1.00 0.00 O ATOM 953 CB GLU A 64 2.779 6.249 -12.949 1.00 0.00 C ATOM 954 CG GLU A 64 3.516 6.190 -14.283 1.00 0.00 C ATOM 955 CD GLU A 64 3.160 7.420 -15.120 1.00 0.00 C ATOM 956 OE1 GLU A 64 2.261 8.143 -14.722 1.00 0.00 O ATOM 957 OE2 GLU A 64 3.792 7.617 -16.145 1.00 0.00 O ATOM 0 H GLU A 64 2.227 3.912 -13.603 1.00 0.00 H new ATOM 0 HA GLU A 64 4.274 5.047 -11.972 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.702 6.235 -13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.010 7.183 -12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.592 6.151 -14.114 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.245 5.281 -14.820 1.00 0.00 H new ATOM 964 N HIS A 65 1.350 4.676 -10.550 1.00 0.00 N ATOM 965 CA HIS A 65 0.664 4.770 -9.230 1.00 0.00 C ATOM 966 C HIS A 65 1.396 3.903 -8.204 1.00 0.00 C ATOM 967 O HIS A 65 1.350 4.158 -7.018 1.00 0.00 O ATOM 968 CB HIS A 65 -0.779 4.282 -9.370 1.00 0.00 C ATOM 969 CG HIS A 65 -1.474 4.398 -8.042 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.718 5.624 -7.437 1.00 0.00 N ATOM 971 CD2 HIS A 65 -1.981 3.450 -7.187 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.345 5.382 -6.271 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.528 4.076 -6.074 1.00 0.00 N ATOM 0 H HIS A 65 0.822 4.198 -11.281 1.00 0.00 H new ATOM 0 HA HIS A 65 0.669 5.807 -8.895 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.304 4.873 -10.121 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.793 3.247 -9.712 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.468 6.540 -7.808 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.958 2.383 -7.354 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.661 6.150 -5.581 1.00 0.00 H new ATOM 982 N PHE A 66 2.066 2.878 -8.650 1.00 0.00 N ATOM 983 CA PHE A 66 2.795 1.993 -7.698 1.00 0.00 C ATOM 984 C PHE A 66 4.274 2.383 -7.669 1.00 0.00 C ATOM 985 O PHE A 66 5.091 1.720 -7.061 1.00 0.00 O ATOM 986 CB PHE A 66 2.652 0.540 -8.154 1.00 0.00 C ATOM 987 CG PHE A 66 1.188 0.176 -8.190 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.540 -0.233 -7.019 1.00 0.00 C ATOM 989 CD2 PHE A 66 0.478 0.255 -9.393 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.820 -0.562 -7.051 1.00 0.00 C ATOM 991 CE2 PHE A 66 -0.882 -0.076 -9.426 1.00 0.00 C ATOM 992 CZ PHE A 66 -1.531 -0.484 -8.255 1.00 0.00 C ATOM 0 H PHE A 66 2.141 2.614 -9.632 1.00 0.00 H new ATOM 0 HA PHE A 66 2.376 2.103 -6.698 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.096 0.410 -9.141 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.188 -0.122 -7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.089 -0.295 -6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.979 0.571 -10.296 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.321 -0.876 -6.147 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.430 -0.017 -10.355 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.580 -0.739 -8.280 1.00 0.00 H new ATOM 1002 N ARG A 67 4.623 3.454 -8.327 1.00 0.00 N ATOM 1003 CA ARG A 67 6.048 3.891 -8.347 1.00 0.00 C ATOM 1004 C ARG A 67 6.554 4.087 -6.913 1.00 0.00 C ATOM 1005 O ARG A 67 7.686 3.773 -6.602 1.00 0.00 O ATOM 1006 CB ARG A 67 6.156 5.208 -9.124 1.00 0.00 C ATOM 1007 CG ARG A 67 7.612 5.683 -9.188 1.00 0.00 C ATOM 1008 CD ARG A 67 8.433 4.752 -10.087 1.00 0.00 C ATOM 1009 NE ARG A 67 9.720 5.414 -10.440 1.00 0.00 N ATOM 1010 CZ ARG A 67 10.613 5.646 -9.517 1.00 0.00 C ATOM 1011 NH1 ARG A 67 10.391 5.277 -8.285 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.732 6.241 -9.827 1.00 0.00 N ATOM 0 H ARG A 67 3.981 4.047 -8.853 1.00 0.00 H new ATOM 0 HA ARG A 67 6.658 3.129 -8.832 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.768 5.073 -10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.541 5.970 -8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.653 6.702 -9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.040 5.703 -8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.625 3.809 -9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.873 4.515 -10.992 1.00 0.00 H new ATOM 0 HE ARG A 67 9.904 5.687 -11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.519 4.807 -8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.090 5.459 -7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.909 6.525 -10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.430 6.422 -9.106 1.00 0.00 H new ATOM 1026 N SER A 68 5.733 4.606 -6.038 1.00 0.00 N ATOM 1027 CA SER A 68 6.186 4.820 -4.632 1.00 0.00 C ATOM 1028 C SER A 68 5.081 4.401 -3.658 1.00 0.00 C ATOM 1029 O SER A 68 3.912 4.400 -3.990 1.00 0.00 O ATOM 1030 CB SER A 68 6.512 6.299 -4.423 1.00 0.00 C ATOM 1031 OG SER A 68 5.316 7.061 -4.514 1.00 0.00 O ATOM 0 H SER A 68 4.773 4.890 -6.235 1.00 0.00 H new ATOM 0 HA SER A 68 7.075 4.217 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.977 6.446 -3.448 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.229 6.635 -5.173 1.00 0.00 H new ATOM 0 HG SER A 68 5.521 8.010 -4.379 1.00 0.00 H new ATOM 1037 N ILE A 69 5.445 4.047 -2.453 1.00 0.00 N ATOM 1038 CA ILE A 69 4.430 3.632 -1.452 1.00 0.00 C ATOM 1039 C ILE A 69 3.480 4.796 -1.158 1.00 0.00 C ATOM 1040 O ILE A 69 2.300 4.605 -0.940 1.00 0.00 O ATOM 1041 CB ILE A 69 5.144 3.221 -0.165 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.070 2.044 -0.444 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.117 2.805 0.872 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.929 1.761 0.790 1.00 0.00 C ATOM 0 H ILE A 69 6.409 4.029 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 69 3.853 2.794 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 69 5.726 4.065 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.485 1.161 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.707 2.265 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.626 2.512 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.449 3.641 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.538 1.963 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.590 0.919 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.526 2.642 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.284 1.521 1.635 1.00 0.00 H new ATOM 1056 N ARG A 70 3.986 5.999 -1.135 1.00 0.00 N ATOM 1057 CA ARG A 70 3.113 7.170 -0.838 1.00 0.00 C ATOM 1058 C ARG A 70 2.010 7.285 -1.894 1.00 0.00 C ATOM 1059 O ARG A 70 0.888 7.639 -1.591 1.00 0.00 O ATOM 1060 CB ARG A 70 3.955 8.448 -0.844 1.00 0.00 C ATOM 1061 CG ARG A 70 4.980 8.390 0.291 1.00 0.00 C ATOM 1062 CD ARG A 70 5.722 9.725 0.376 1.00 0.00 C ATOM 1063 NE ARG A 70 6.347 10.032 -0.940 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.648 11.264 -1.247 1.00 0.00 C ATOM 1065 NH1 ARG A 70 6.402 12.227 -0.401 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.195 11.534 -2.401 1.00 0.00 N ATOM 0 H ARG A 70 4.966 6.221 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 70 2.657 7.033 0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.463 8.557 -1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.312 9.320 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.480 8.179 1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.687 7.579 0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.031 10.520 0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.487 9.679 1.152 1.00 0.00 H new ATOM 0 HE ARG A 70 6.540 9.280 -1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.974 12.017 0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.638 13.190 -0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.387 10.782 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.430 12.497 -2.641 1.00 0.00 H new ATOM 1080 N SER A 71 2.312 6.992 -3.128 1.00 0.00 N ATOM 1081 CA SER A 71 1.272 7.091 -4.187 1.00 0.00 C ATOM 1082 C SER A 71 0.102 6.167 -3.840 1.00 0.00 C ATOM 1083 O SER A 71 -1.052 6.524 -3.989 1.00 0.00 O ATOM 1084 CB SER A 71 1.878 6.670 -5.524 1.00 0.00 C ATOM 1085 OG SER A 71 3.017 7.475 -5.797 1.00 0.00 O ATOM 0 H SER A 71 3.232 6.689 -3.448 1.00 0.00 H new ATOM 0 HA SER A 71 0.912 8.118 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.161 5.618 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.142 6.779 -6.321 1.00 0.00 H new ATOM 0 HG SER A 71 3.812 7.062 -5.400 1.00 0.00 H new ATOM 1091 N ILE A 72 0.389 4.986 -3.368 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.696 4.045 -3.002 1.00 0.00 C ATOM 1093 C ILE A 72 -1.526 4.652 -1.873 1.00 0.00 C ATOM 1094 O ILE A 72 -2.735 4.535 -1.842 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.074 2.730 -2.537 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.770 2.140 -3.670 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.181 1.751 -2.165 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.526 0.912 -3.159 1.00 0.00 C ATOM 0 H ILE A 72 1.335 4.634 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.339 3.860 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 72 0.558 2.911 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.130 1.863 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.474 2.886 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.739 0.811 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.785 2.173 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.812 1.568 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.127 0.493 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.178 1.203 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.813 0.165 -2.811 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.883 5.306 -0.944 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.629 5.927 0.183 1.00 0.00 C ATOM 1112 C ASP A 73 -2.652 6.918 -0.372 1.00 0.00 C ATOM 1113 O ASP A 73 -3.746 7.048 0.141 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.651 6.662 1.102 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.374 7.090 2.380 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -2.539 6.754 2.518 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -0.751 7.745 3.198 1.00 0.00 O ATOM 0 H ASP A 73 0.128 5.436 -0.919 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.143 5.151 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.191 6.014 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.243 7.535 0.593 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.308 7.617 -1.418 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.265 8.595 -2.002 1.00 0.00 C ATOM 1124 C ALA A 74 -4.524 7.856 -2.448 1.00 0.00 C ATOM 1125 O ALA A 74 -5.630 8.327 -2.269 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.622 9.286 -3.206 1.00 0.00 C ATOM 0 H ALA A 74 -1.407 7.553 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.525 9.345 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.324 10.002 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.720 9.808 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.363 8.540 -3.958 1.00 0.00 H new ATOM 1132 N PHE A 75 -4.367 6.694 -3.020 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.562 5.923 -3.466 1.00 0.00 C ATOM 1134 C PHE A 75 -6.433 5.594 -2.254 1.00 0.00 C ATOM 1135 O PHE A 75 -7.637 5.750 -2.279 1.00 0.00 O ATOM 1136 CB PHE A 75 -5.117 4.625 -4.136 1.00 0.00 C ATOM 1137 CG PHE A 75 -6.323 3.900 -4.683 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -6.820 4.226 -5.951 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -6.944 2.903 -3.922 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -7.939 3.554 -6.457 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -8.063 2.231 -4.428 1.00 0.00 C ATOM 1142 CZ PHE A 75 -8.560 2.556 -5.696 1.00 0.00 C ATOM 0 H PHE A 75 -3.468 6.247 -3.197 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.132 6.520 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.414 4.841 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.595 3.993 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.340 4.995 -6.538 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.560 2.652 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.323 3.805 -7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.543 1.462 -3.841 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.422 2.037 -6.087 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.829 5.138 -1.190 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.611 4.798 0.026 1.00 0.00 C ATOM 1154 C VAL A 76 -7.264 6.063 0.588 1.00 0.00 C ATOM 1155 O VAL A 76 -8.412 6.055 0.985 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.670 4.200 1.069 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.404 4.073 2.398 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.210 2.816 0.606 1.00 0.00 C ATOM 0 H VAL A 76 -4.823 4.987 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.389 4.077 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.803 4.848 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.734 3.646 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.733 5.058 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.270 3.423 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.538 2.388 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.077 2.167 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.687 2.906 -0.346 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.541 7.149 0.623 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.114 8.411 1.156 1.00 0.00 C ATOM 1170 C VAL A 77 -8.313 8.832 0.304 1.00 0.00 C ATOM 1171 O VAL A 77 -9.323 9.280 0.809 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.042 9.499 1.104 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.681 10.851 1.396 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.968 9.206 2.154 1.00 0.00 C ATOM 0 H VAL A 77 -5.575 7.214 0.303 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.443 8.262 2.185 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.587 9.516 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.919 11.629 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.448 11.059 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.134 10.833 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.203 9.981 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.422 9.190 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.513 8.237 1.948 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.203 8.696 -0.988 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.325 9.093 -1.887 1.00 0.00 C ATOM 1186 C GLY A 78 -10.575 8.253 -1.601 1.00 0.00 C ATOM 1187 O GLY A 78 -11.687 8.709 -1.783 1.00 0.00 O ATOM 0 H GLY A 78 -7.380 8.325 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.552 10.150 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.026 8.966 -2.927 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.413 7.027 -1.176 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.609 6.174 -0.909 1.00 0.00 C ATOM 1193 C ALA A 79 -11.908 6.130 0.589 1.00 0.00 C ATOM 1194 O ALA A 79 -13.023 6.360 1.014 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.339 4.754 -1.413 1.00 0.00 C ATOM 0 H ALA A 79 -9.512 6.582 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.469 6.598 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.210 4.128 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.141 4.780 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.474 4.342 -0.894 1.00 0.00 H new ATOM 1201 N THR A 80 -10.922 5.843 1.390 1.00 0.00 N ATOM 1202 CA THR A 80 -11.142 5.789 2.863 1.00 0.00 C ATOM 1203 C THR A 80 -10.116 6.688 3.545 1.00 0.00 C ATOM 1204 O THR A 80 -9.055 6.934 3.015 1.00 0.00 O ATOM 1205 CB THR A 80 -10.969 4.350 3.355 1.00 0.00 C ATOM 1206 OG1 THR A 80 -9.589 4.016 3.360 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.724 3.397 2.427 1.00 0.00 C ATOM 0 H THR A 80 -9.969 5.642 1.088 1.00 0.00 H new ATOM 0 HA THR A 80 -12.150 6.129 3.100 1.00 0.00 H new ATOM 0 HB THR A 80 -11.368 4.261 4.365 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.476 3.095 3.676 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.600 2.373 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.783 3.654 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.328 3.484 1.415 1.00 0.00 H new ATOM 1215 N THR A 81 -10.416 7.183 4.713 1.00 0.00 N ATOM 1216 CA THR A 81 -9.442 8.067 5.405 1.00 0.00 C ATOM 1217 C THR A 81 -9.421 7.751 6.906 1.00 0.00 C ATOM 1218 O THR A 81 -10.127 8.363 7.684 1.00 0.00 O ATOM 1219 CB THR A 81 -9.854 9.523 5.187 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.173 10.352 6.119 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.365 9.664 5.380 1.00 0.00 C ATOM 0 H THR A 81 -11.288 7.014 5.215 1.00 0.00 H new ATOM 0 HA THR A 81 -8.444 7.901 4.999 1.00 0.00 H new ATOM 0 HB THR A 81 -9.592 9.827 4.173 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.206 10.273 5.981 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.656 10.703 5.224 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.884 9.030 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.632 9.360 6.392 1.00 0.00 H new ATOM 1229 N PRO A 82 -8.603 6.813 7.311 1.00 0.00 N ATOM 1230 CA PRO A 82 -8.470 6.419 8.746 1.00 0.00 C ATOM 1231 C PRO A 82 -7.937 7.574 9.601 1.00 0.00 C ATOM 1232 O PRO A 82 -7.780 8.681 9.126 1.00 0.00 O ATOM 1233 CB PRO A 82 -7.465 5.260 8.731 1.00 0.00 C ATOM 1234 CG PRO A 82 -7.374 4.809 7.310 1.00 0.00 C ATOM 1235 CD PRO A 82 -7.721 6.018 6.448 1.00 0.00 C ATOM 0 HA PRO A 82 -9.431 6.144 9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.492 5.583 9.100 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.797 4.448 9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.372 4.445 7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.063 3.986 7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.829 6.576 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.221 5.723 5.526 1.00 0.00 H new ATOM 1243 N PRO A 83 -7.654 7.318 10.852 1.00 0.00 N ATOM 1244 CA PRO A 83 -7.122 8.358 11.780 1.00 0.00 C ATOM 1245 C PRO A 83 -5.771 8.896 11.302 1.00 0.00 C ATOM 1246 O PRO A 83 -5.019 8.207 10.641 1.00 0.00 O ATOM 1247 CB PRO A 83 -6.965 7.628 13.120 1.00 0.00 C ATOM 1248 CG PRO A 83 -7.778 6.379 13.003 1.00 0.00 C ATOM 1249 CD PRO A 83 -7.813 6.020 11.521 1.00 0.00 C ATOM 0 HA PRO A 83 -7.783 9.222 11.844 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.919 7.396 13.318 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.316 8.247 13.946 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.335 5.572 13.587 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.786 6.535 13.388 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.012 5.330 11.256 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.752 5.539 11.246 1.00 0.00 H new ATOM 1257 N VAL A 84 -5.461 10.125 11.612 1.00 0.00 N ATOM 1258 CA VAL A 84 -4.166 10.698 11.152 1.00 0.00 C ATOM 1259 C VAL A 84 -3.074 10.427 12.188 1.00 0.00 C ATOM 1260 O VAL A 84 -3.216 10.734 13.355 1.00 0.00 O ATOM 1261 CB VAL A 84 -4.319 12.207 10.961 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -5.592 12.494 10.163 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -4.412 12.885 12.329 1.00 0.00 C ATOM 0 H VAL A 84 -6.046 10.754 12.162 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.885 10.232 10.207 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.456 12.595 10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.701 13.570 10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.528 12.010 9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -6.456 12.107 10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.521 13.961 12.195 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.276 12.497 12.869 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.506 12.680 12.899 1.00 0.00 H new ATOM 1273 N GLU A 85 -1.979 9.859 11.761 1.00 0.00 N ATOM 1274 CA GLU A 85 -0.863 9.570 12.701 1.00 0.00 C ATOM 1275 C GLU A 85 0.461 9.942 12.031 1.00 0.00 C ATOM 1276 O GLU A 85 0.560 9.987 10.821 1.00 0.00 O ATOM 1277 CB GLU A 85 -0.860 8.080 13.052 1.00 0.00 C ATOM 1278 CG GLU A 85 -2.184 7.711 13.724 1.00 0.00 C ATOM 1279 CD GLU A 85 -2.150 6.241 14.146 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -1.216 5.556 13.762 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -3.059 5.825 14.847 1.00 0.00 O ATOM 0 H GLU A 85 -1.810 9.582 10.794 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.990 10.152 13.614 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.719 7.484 12.151 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.027 7.854 13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.352 8.346 14.594 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.013 7.884 13.038 1.00 0.00 H new ATOM 1288 N ALA A 86 1.481 10.207 12.800 1.00 0.00 N ATOM 1289 CA ALA A 86 2.790 10.573 12.189 1.00 0.00 C ATOM 1290 C ALA A 86 3.432 9.325 11.581 1.00 0.00 C ATOM 1291 O ALA A 86 3.599 8.318 12.240 1.00 0.00 O ATOM 1292 CB ALA A 86 3.712 11.149 13.266 1.00 0.00 C ATOM 0 H ALA A 86 1.465 10.186 13.820 1.00 0.00 H new ATOM 0 HA ALA A 86 2.633 11.319 11.410 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.670 11.417 12.820 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.253 12.037 13.701 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.871 10.404 14.046 1.00 0.00 H new ATOM 1298 N LYS A 87 3.793 9.381 10.327 1.00 0.00 N ATOM 1299 CA LYS A 87 4.425 8.196 9.681 1.00 0.00 C ATOM 1300 C LYS A 87 5.713 7.838 10.423 1.00 0.00 C ATOM 1301 O LYS A 87 6.037 6.681 10.605 1.00 0.00 O ATOM 1302 CB LYS A 87 4.748 8.520 8.220 1.00 0.00 C ATOM 1303 CG LYS A 87 5.254 7.258 7.517 1.00 0.00 C ATOM 1304 CD LYS A 87 5.627 7.590 6.071 1.00 0.00 C ATOM 1305 CE LYS A 87 5.983 6.302 5.325 1.00 0.00 C ATOM 1306 NZ LYS A 87 7.032 5.564 6.083 1.00 0.00 N ATOM 0 H LYS A 87 3.678 10.195 9.723 1.00 0.00 H new ATOM 0 HA LYS A 87 3.737 7.351 9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.859 8.899 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.502 9.305 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.120 6.859 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.485 6.486 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.795 8.091 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.471 8.279 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.096 5.679 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.341 6.537 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.384 4.772 5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.818 6.208 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.627 5.196 6.967 1.00 0.00 H new ATOM 1320 N LEU A 88 6.452 8.824 10.853 1.00 0.00 N ATOM 1321 CA LEU A 88 7.721 8.544 11.583 1.00 0.00 C ATOM 1322 C LEU A 88 7.415 7.747 12.853 1.00 0.00 C ATOM 1323 O LEU A 88 8.182 6.900 13.265 1.00 0.00 O ATOM 1324 CB LEU A 88 8.393 9.866 11.960 1.00 0.00 C ATOM 1325 CG LEU A 88 8.626 10.702 10.700 1.00 0.00 C ATOM 1326 CD1 LEU A 88 9.375 11.984 11.070 1.00 0.00 C ATOM 1327 CD2 LEU A 88 9.461 9.899 9.700 1.00 0.00 C ATOM 0 H LEU A 88 6.232 9.812 10.730 1.00 0.00 H new ATOM 0 HA LEU A 88 8.388 7.965 10.944 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.767 10.416 12.663 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.342 9.673 12.461 1.00 0.00 H new ATOM 0 HG LEU A 88 7.665 10.956 10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.541 12.580 10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.783 12.558 11.783 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.335 11.728 11.519 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.627 10.495 8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.421 9.645 10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.931 8.984 9.435 1.00 0.00 H new ATOM 1339 N GLN A 89 6.301 8.013 13.478 1.00 0.00 N ATOM 1340 CA GLN A 89 5.949 7.271 14.721 1.00 0.00 C ATOM 1341 C GLN A 89 7.104 7.373 15.719 1.00 0.00 C ATOM 1342 O GLN A 89 7.104 8.308 16.503 1.00 0.00 O ATOM 1343 CB GLN A 89 5.693 5.800 14.386 1.00 0.00 C ATOM 1344 CG GLN A 89 4.464 5.688 13.483 1.00 0.00 C ATOM 1345 CD GLN A 89 4.237 4.221 13.111 1.00 0.00 C ATOM 1346 OE1 GLN A 89 3.073 3.850 12.653 1.00 0.00 O flip ATOM 1347 NE2 GLN A 89 5.128 3.405 13.239 1.00 0.00 N flip ATOM 1348 OXT GLN A 89 7.970 6.515 15.682 1.00 0.00 O ATOM 0 H GLN A 89 5.620 8.712 13.182 1.00 0.00 H new ATOM 0 HA GLN A 89 5.049 7.704 15.159 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.563 5.373 13.888 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.538 5.229 15.302 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.587 6.085 13.994 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.606 6.285 12.582 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.038 3.695 13.597 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.966 2.430 12.988 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 1.115 -4.415 -12.786 1.00 0.00 O HETATM 1359 O4 PN7 A 101 1.670 -1.754 -15.046 1.00 0.00 O HETATM 1360 C2 PN7 A 101 -0.705 -3.123 -13.679 1.00 0.00 C HETATM 1361 C1 PN7 A 101 -1.587 -4.287 -13.223 1.00 0.00 C HETATM 1362 P PN7 A 101 -1.626 -6.737 -13.070 1.00 0.00 P HETATM 1363 O1P PN7 A 101 -2.775 -6.378 -12.208 1.00 0.00 O HETATM 1364 O2P PN7 A 101 -1.711 -7.921 -13.954 1.00 0.00 O HETATM 1365 O3P PN7 A 101 -1.254 -5.458 -13.975 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 -0.699 -2.033 -12.605 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 -1.251 -2.546 -14.987 1.00 0.00 C HETATM 1368 C3 PN7 A 101 0.720 -3.629 -13.902 1.00 0.00 C HETATM 1369 C4 PN7 A 101 1.674 -2.444 -14.046 1.00 0.00 C HETATM 1370 N5 PN7 A 101 2.601 -2.309 -13.138 1.00 0.00 N HETATM 1371 C6 PN7 A 101 3.961 -2.871 -13.372 1.00 0.00 C HETATM 1372 C7 PN7 A 101 3.859 -4.382 -13.601 1.00 0.00 C HETATM 1373 C8 PN7 A 101 3.597 -5.085 -12.267 1.00 0.00 C HETATM 1374 O8 PN7 A 101 4.275 -4.845 -11.288 1.00 0.00 O HETATM 1375 N9 PN7 A 101 2.722 -6.053 -12.260 1.00 0.00 N HETATM 1376 C10 PN7 A 101 2.805 -7.126 -11.230 1.00 0.00 C HETATM 1377 C11 PN7 A 101 2.785 -8.494 -11.915 1.00 0.00 C HETATM 1378 S12 PN7 A 101 2.574 -9.790 -10.669 1.00 0.00 S