USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -63:sc= 0.0726 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 56:sc= 0.603 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -4.02! C(o=-4.8!,f=-4!) USER MOD Single : A 35 GLN : amide:sc= -1.45! C(o=-1.4!,f=-4!) USER MOD Single : A 39 SER OG : rot 62:sc= 1.26 USER MOD Single : A 45 ASN :FLIP amide:sc= -4.23! C(o=-6.6!,f=-4.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -56:sc= 0.636 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 SER OG : rot 50:sc= 0.948 USER MOD Single : B 30 HIS :FLIP no HE2:sc= -5.6! C(o=-6.5!,f=-5.6!) USER MOD Single : B 35 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.3!) USER MOD Single : B 39 SER OG : rot 61:sc= 1.27 USER MOD Single : B 45 ASN :FLIP amide:sc= -0.79 F(o=-3.4!,f=-0.79) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot -59:sc= 0.629 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0.265 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.470 22.818 -7.708 1.00 0.00 N ATOM 2 CA GLY A 1 11.158 22.932 -6.257 1.00 0.00 C ATOM 3 C GLY A 1 9.751 22.470 -5.930 1.00 0.00 C ATOM 4 O GLY A 1 8.800 22.817 -6.630 1.00 0.00 O ATOM 0 H1 GLY A 1 12.442 23.145 -7.881 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.381 21.825 -8.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.805 23.403 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.874 22.340 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.279 23.969 -5.942 1.00 0.00 H new ATOM 10 N SER A 2 9.625 21.685 -4.860 1.00 0.00 N ATOM 11 CA SER A 2 8.328 21.164 -4.429 1.00 0.00 C ATOM 12 C SER A 2 7.735 20.219 -5.470 1.00 0.00 C ATOM 13 O SER A 2 7.741 20.511 -6.665 1.00 0.00 O ATOM 14 CB SER A 2 7.353 22.310 -4.149 1.00 0.00 C ATOM 15 OG SER A 2 7.806 23.120 -3.079 1.00 0.00 O ATOM 0 H SER A 2 10.408 21.395 -4.274 1.00 0.00 H new ATOM 0 HA SER A 2 8.489 20.601 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.237 22.919 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.370 21.904 -3.910 1.00 0.00 H new ATOM 0 HG SER A 2 7.165 23.845 -2.923 1.00 0.00 H new ATOM 21 N ALA A 3 7.219 19.086 -5.002 1.00 0.00 N ATOM 22 CA ALA A 3 6.617 18.093 -5.885 1.00 0.00 C ATOM 23 C ALA A 3 5.963 16.971 -5.079 1.00 0.00 C ATOM 24 O ALA A 3 5.321 17.225 -4.060 1.00 0.00 O ATOM 25 CB ALA A 3 7.666 17.532 -6.837 1.00 0.00 C ATOM 0 H ALA A 3 7.206 18.833 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 3 5.839 18.580 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.205 16.792 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.080 18.341 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.464 17.062 -6.263 1.00 0.00 H new ATOM 31 N ALA A 4 6.125 15.732 -5.540 1.00 0.00 N ATOM 32 CA ALA A 4 5.547 14.581 -4.857 1.00 0.00 C ATOM 33 C ALA A 4 6.132 14.416 -3.459 1.00 0.00 C ATOM 34 O ALA A 4 5.400 14.207 -2.491 1.00 0.00 O ATOM 35 CB ALA A 4 5.766 13.318 -5.677 1.00 0.00 C ATOM 0 H ALA A 4 6.651 15.502 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 4 4.476 14.753 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.330 12.466 -5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.291 13.430 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.835 13.152 -5.812 1.00 0.00 H new ATOM 41 N SER A 5 7.455 14.513 -3.363 1.00 0.00 N ATOM 42 CA SER A 5 8.148 14.377 -2.084 1.00 0.00 C ATOM 43 C SER A 5 7.847 13.023 -1.439 1.00 0.00 C ATOM 44 O SER A 5 7.319 12.962 -0.329 1.00 0.00 O ATOM 45 CB SER A 5 7.739 15.504 -1.133 1.00 0.00 C ATOM 46 OG SER A 5 8.564 15.530 0.016 1.00 0.00 O ATOM 0 H SER A 5 8.071 14.686 -4.158 1.00 0.00 H new ATOM 0 HA SER A 5 9.219 14.440 -2.275 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.802 16.461 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.699 15.372 -0.834 1.00 0.00 H new ATOM 0 HG SER A 5 8.450 14.697 0.520 1.00 0.00 H new ATOM 52 N PRO A 6 8.178 11.912 -2.126 1.00 0.00 N ATOM 53 CA PRO A 6 7.931 10.567 -1.601 1.00 0.00 C ATOM 54 C PRO A 6 8.768 10.267 -0.362 1.00 0.00 C ATOM 55 O PRO A 6 9.357 11.170 0.232 1.00 0.00 O ATOM 56 CB PRO A 6 8.335 9.630 -2.746 1.00 0.00 C ATOM 57 CG PRO A 6 8.512 10.496 -3.950 1.00 0.00 C ATOM 58 CD PRO A 6 8.812 11.881 -3.452 1.00 0.00 C ATOM 0 HA PRO A 6 6.893 10.450 -1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.258 9.100 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.569 8.874 -2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.325 10.126 -4.575 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.611 10.493 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.885 12.061 -3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.399 12.644 -4.113 1.00 0.00 H new ATOM 66 N ALA A 7 8.816 8.991 0.017 1.00 0.00 N ATOM 67 CA ALA A 7 9.582 8.562 1.183 1.00 0.00 C ATOM 68 C ALA A 7 9.324 9.468 2.370 1.00 0.00 C ATOM 69 O ALA A 7 10.236 9.811 3.124 1.00 0.00 O ATOM 70 CB ALA A 7 11.063 8.521 0.857 1.00 0.00 C ATOM 0 H ALA A 7 8.332 8.236 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 7 9.255 7.557 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.620 8.199 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.237 7.820 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.398 9.515 0.559 1.00 0.00 H new ATOM 76 N VAL A 8 8.066 9.835 2.530 1.00 0.00 N ATOM 77 CA VAL A 8 7.641 10.677 3.627 1.00 0.00 C ATOM 78 C VAL A 8 7.517 9.836 4.885 1.00 0.00 C ATOM 79 O VAL A 8 6.463 9.756 5.510 1.00 0.00 O ATOM 80 CB VAL A 8 6.315 11.395 3.308 1.00 0.00 C ATOM 81 CG1 VAL A 8 5.202 10.391 3.052 1.00 0.00 C ATOM 82 CG2 VAL A 8 5.942 12.360 4.423 1.00 0.00 C ATOM 0 H VAL A 8 7.312 9.557 1.902 1.00 0.00 H new ATOM 0 HA VAL A 8 8.391 11.452 3.785 1.00 0.00 H new ATOM 0 HB VAL A 8 6.453 11.976 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.277 10.922 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.470 9.759 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.060 9.771 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.003 12.855 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.828 11.810 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.728 13.107 4.536 1.00 0.00 H new ATOM 92 N ASP A 9 8.616 9.161 5.199 1.00 0.00 N ATOM 93 CA ASP A 9 8.687 8.250 6.331 1.00 0.00 C ATOM 94 C ASP A 9 8.035 6.948 5.911 1.00 0.00 C ATOM 95 O ASP A 9 7.986 5.977 6.660 1.00 0.00 O ATOM 96 CB ASP A 9 8.018 8.842 7.577 1.00 0.00 C ATOM 97 CG ASP A 9 8.226 7.996 8.820 1.00 0.00 C ATOM 98 OD1 ASP A 9 7.654 6.890 8.893 1.00 0.00 O ATOM 99 OD2 ASP A 9 8.968 8.441 9.721 1.00 0.00 O ATOM 0 H ASP A 9 9.486 9.232 4.672 1.00 0.00 H new ATOM 0 HA ASP A 9 9.727 8.076 6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.413 9.842 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.949 8.950 7.392 1.00 0.00 H new ATOM 104 N ILE A 10 7.594 6.969 4.656 1.00 0.00 N ATOM 105 CA ILE A 10 6.970 5.865 3.966 1.00 0.00 C ATOM 106 C ILE A 10 5.705 5.320 4.636 1.00 0.00 C ATOM 107 O ILE A 10 4.705 5.096 3.958 1.00 0.00 O ATOM 108 CB ILE A 10 7.981 4.766 3.695 1.00 0.00 C ATOM 109 CG1 ILE A 10 7.610 4.086 2.401 1.00 0.00 C ATOM 110 CG2 ILE A 10 8.055 3.788 4.842 1.00 0.00 C ATOM 111 CD1 ILE A 10 7.543 5.052 1.233 1.00 0.00 C ATOM 0 H ILE A 10 7.670 7.802 4.072 1.00 0.00 H new ATOM 0 HA ILE A 10 6.619 6.271 3.017 1.00 0.00 H new ATOM 0 HB ILE A 10 8.977 5.199 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.340 3.307 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.644 3.594 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.789 3.015 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.352 4.313 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.078 3.328 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.272 4.510 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.793 5.817 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.515 5.525 1.096 1.00 0.00 H new ATOM 123 N GLY A 11 5.717 5.133 5.946 1.00 0.00 N ATOM 124 CA GLY A 11 4.526 4.655 6.613 1.00 0.00 C ATOM 125 C GLY A 11 3.457 5.690 6.546 1.00 0.00 C ATOM 126 O GLY A 11 2.292 5.425 6.821 1.00 0.00 O ATOM 0 H GLY A 11 6.519 5.301 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.181 3.733 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.751 4.419 7.653 1.00 0.00 H new ATOM 130 N ASP A 12 3.867 6.876 6.147 1.00 0.00 N ATOM 131 CA ASP A 12 2.950 7.973 5.994 1.00 0.00 C ATOM 132 C ASP A 12 2.174 7.755 4.715 1.00 0.00 C ATOM 133 O ASP A 12 0.968 7.978 4.637 1.00 0.00 O ATOM 134 CB ASP A 12 3.722 9.285 5.923 1.00 0.00 C ATOM 135 CG ASP A 12 2.820 10.490 5.724 1.00 0.00 C ATOM 136 OD1 ASP A 12 1.585 10.310 5.679 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.349 11.616 5.621 1.00 0.00 O ATOM 0 H ASP A 12 4.837 7.100 5.923 1.00 0.00 H new ATOM 0 HA ASP A 12 2.268 8.023 6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.295 9.414 6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.439 9.235 5.104 1.00 0.00 H new ATOM 142 N ARG A 13 2.904 7.269 3.730 1.00 0.00 N ATOM 143 CA ARG A 13 2.366 6.943 2.434 1.00 0.00 C ATOM 144 C ARG A 13 1.276 5.902 2.607 1.00 0.00 C ATOM 145 O ARG A 13 0.148 6.025 2.128 1.00 0.00 O ATOM 146 CB ARG A 13 3.512 6.346 1.637 1.00 0.00 C ATOM 147 CG ARG A 13 4.729 7.243 1.514 1.00 0.00 C ATOM 148 CD ARG A 13 4.568 8.269 0.416 1.00 0.00 C ATOM 149 NE ARG A 13 3.437 9.164 0.658 1.00 0.00 N ATOM 150 CZ ARG A 13 3.068 10.138 -0.169 1.00 0.00 C ATOM 151 NH1 ARG A 13 3.731 10.343 -1.298 1.00 0.00 N ATOM 152 NH2 ARG A 13 2.032 10.908 0.137 1.00 0.00 N ATOM 0 H ARG A 13 3.904 7.088 3.815 1.00 0.00 H new ATOM 0 HA ARG A 13 1.947 7.816 1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.813 5.409 2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.154 6.102 0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.902 7.751 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.610 6.633 1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.483 8.856 0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.428 7.760 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 13 2.898 9.033 1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.528 9.753 -1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.444 11.091 -1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.520 10.753 1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.748 11.656 -0.496 1.00 0.00 H new ATOM 166 N LEU A 14 1.683 4.884 3.326 1.00 0.00 N ATOM 167 CA LEU A 14 0.891 3.727 3.684 1.00 0.00 C ATOM 168 C LEU A 14 -0.298 4.078 4.558 1.00 0.00 C ATOM 169 O LEU A 14 -1.441 3.761 4.232 1.00 0.00 O ATOM 170 CB LEU A 14 1.851 2.860 4.467 1.00 0.00 C ATOM 171 CG LEU A 14 2.865 2.102 3.621 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.190 2.037 4.346 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.359 0.709 3.300 1.00 0.00 C ATOM 0 H LEU A 14 2.631 4.836 3.700 1.00 0.00 H new ATOM 0 HA LEU A 14 0.474 3.248 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.389 3.488 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.276 2.141 5.050 1.00 0.00 H new ATOM 0 HG LEU A 14 3.006 2.632 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.912 1.494 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.556 3.048 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.059 1.523 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.098 0.184 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.192 0.160 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.422 0.781 2.747 1.00 0.00 H new ATOM 185 N ASP A 15 -0.009 4.719 5.676 1.00 0.00 N ATOM 186 CA ASP A 15 -1.035 5.109 6.622 1.00 0.00 C ATOM 187 C ASP A 15 -2.153 5.814 5.888 1.00 0.00 C ATOM 188 O ASP A 15 -3.302 5.390 5.936 1.00 0.00 O ATOM 189 CB ASP A 15 -0.435 6.030 7.684 1.00 0.00 C ATOM 190 CG ASP A 15 -1.342 6.209 8.885 1.00 0.00 C ATOM 191 OD1 ASP A 15 -2.478 6.689 8.705 1.00 0.00 O ATOM 192 OD2 ASP A 15 -0.913 5.867 10.007 1.00 0.00 O ATOM 0 H ASP A 15 0.937 4.982 5.951 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.435 4.222 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.521 5.623 8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.231 7.004 7.240 1.00 0.00 H new ATOM 197 N GLU A 16 -1.787 6.876 5.188 1.00 0.00 N ATOM 198 CA GLU A 16 -2.733 7.661 4.410 1.00 0.00 C ATOM 199 C GLU A 16 -3.475 6.791 3.408 1.00 0.00 C ATOM 200 O GLU A 16 -4.635 7.046 3.085 1.00 0.00 O ATOM 201 CB GLU A 16 -2.013 8.794 3.680 1.00 0.00 C ATOM 202 CG GLU A 16 -1.315 9.767 4.611 1.00 0.00 C ATOM 203 CD GLU A 16 -0.704 10.943 3.875 1.00 0.00 C ATOM 204 OE1 GLU A 16 0.202 10.720 3.046 1.00 0.00 O ATOM 205 OE2 GLU A 16 -1.136 12.088 4.123 1.00 0.00 O ATOM 0 H GLU A 16 -0.827 7.218 5.143 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.460 8.086 5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.279 8.367 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.734 9.340 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.029 10.136 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.534 9.241 5.160 1.00 0.00 H new ATOM 212 N LEU A 17 -2.797 5.762 2.924 1.00 0.00 N ATOM 213 CA LEU A 17 -3.381 4.846 1.965 1.00 0.00 C ATOM 214 C LEU A 17 -4.466 4.040 2.650 1.00 0.00 C ATOM 215 O LEU A 17 -5.513 3.749 2.073 1.00 0.00 O ATOM 216 CB LEU A 17 -2.291 3.930 1.381 1.00 0.00 C ATOM 217 CG LEU A 17 -2.582 3.392 -0.027 1.00 0.00 C ATOM 218 CD1 LEU A 17 -1.476 2.464 -0.484 1.00 0.00 C ATOM 219 CD2 LEU A 17 -3.923 2.685 -0.079 1.00 0.00 C ATOM 0 H LEU A 17 -1.835 5.542 3.184 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.825 5.402 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.350 4.480 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.149 3.085 2.054 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.624 4.243 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.702 2.094 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.531 3.006 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.399 1.623 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.100 2.315 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.920 1.848 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.713 3.383 0.196 1.00 0.00 H new ATOM 231 N GLU A 18 -4.211 3.719 3.903 1.00 0.00 N ATOM 232 CA GLU A 18 -5.154 2.981 4.717 1.00 0.00 C ATOM 233 C GLU A 18 -6.303 3.867 5.081 1.00 0.00 C ATOM 234 O GLU A 18 -7.456 3.455 5.047 1.00 0.00 O ATOM 235 CB GLU A 18 -4.477 2.485 5.988 1.00 0.00 C ATOM 236 CG GLU A 18 -5.406 1.731 6.920 1.00 0.00 C ATOM 237 CD GLU A 18 -4.684 1.130 8.111 1.00 0.00 C ATOM 238 OE1 GLU A 18 -3.443 1.256 8.180 1.00 0.00 O ATOM 239 OE2 GLU A 18 -5.358 0.530 8.973 1.00 0.00 O ATOM 0 H GLU A 18 -3.345 3.962 4.384 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.516 2.124 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.645 1.836 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.056 3.337 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.183 2.407 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.904 0.937 6.364 1.00 0.00 H new ATOM 246 N LYS A 19 -5.979 5.091 5.425 1.00 0.00 N ATOM 247 CA LYS A 19 -6.982 6.041 5.788 1.00 0.00 C ATOM 248 C LYS A 19 -7.928 6.215 4.621 1.00 0.00 C ATOM 249 O LYS A 19 -9.139 6.365 4.788 1.00 0.00 O ATOM 250 CB LYS A 19 -6.327 7.354 6.154 1.00 0.00 C ATOM 251 CG LYS A 19 -5.095 7.164 7.006 1.00 0.00 C ATOM 252 CD LYS A 19 -4.629 8.467 7.623 1.00 0.00 C ATOM 253 CE LYS A 19 -5.705 9.082 8.498 1.00 0.00 C ATOM 254 NZ LYS A 19 -5.281 10.388 9.074 1.00 0.00 N ATOM 0 H LYS A 19 -5.023 5.445 5.459 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.545 5.690 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.057 7.889 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.043 7.978 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.307 6.444 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.294 6.743 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.732 8.290 8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.355 9.167 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.612 9.223 7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.952 8.393 9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.046 10.772 9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.430 10.251 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.070 11.055 8.304 1.00 0.00 H new ATOM 268 N ALA A 20 -7.346 6.166 3.430 1.00 0.00 N ATOM 269 CA ALA A 20 -8.096 6.286 2.203 1.00 0.00 C ATOM 270 C ALA A 20 -8.966 5.081 2.003 1.00 0.00 C ATOM 271 O ALA A 20 -10.161 5.174 1.733 1.00 0.00 O ATOM 272 CB ALA A 20 -7.137 6.380 1.038 1.00 0.00 C ATOM 0 H ALA A 20 -6.343 6.042 3.295 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.718 7.179 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.700 6.471 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.498 7.255 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.520 5.482 1.002 1.00 0.00 H new ATOM 278 N LEU A 21 -8.326 3.951 2.130 1.00 0.00 N ATOM 279 CA LEU A 21 -8.957 2.685 1.971 1.00 0.00 C ATOM 280 C LEU A 21 -10.129 2.550 2.904 1.00 0.00 C ATOM 281 O LEU A 21 -11.212 2.126 2.507 1.00 0.00 O ATOM 282 CB LEU A 21 -7.927 1.632 2.242 1.00 0.00 C ATOM 283 CG LEU A 21 -7.806 0.588 1.188 1.00 0.00 C ATOM 284 CD1 LEU A 21 -8.792 0.848 0.103 1.00 0.00 C ATOM 285 CD2 LEU A 21 -6.429 0.579 0.620 1.00 0.00 C ATOM 0 H LEU A 21 -7.332 3.891 2.351 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.347 2.578 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.958 2.116 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.165 1.146 3.188 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.008 -0.384 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.698 0.081 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.801 0.827 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.600 1.827 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.358 -0.190 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.210 1.552 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.710 0.368 1.412 1.00 0.00 H new ATOM 297 N GLU A 22 -9.905 2.940 4.139 1.00 0.00 N ATOM 298 CA GLU A 22 -10.940 2.903 5.140 1.00 0.00 C ATOM 299 C GLU A 22 -12.196 3.524 4.584 1.00 0.00 C ATOM 300 O GLU A 22 -13.314 3.130 4.917 1.00 0.00 O ATOM 301 CB GLU A 22 -10.500 3.650 6.398 1.00 0.00 C ATOM 302 CG GLU A 22 -9.425 2.931 7.195 1.00 0.00 C ATOM 303 CD GLU A 22 -9.023 3.688 8.445 1.00 0.00 C ATOM 304 OE1 GLU A 22 -8.564 4.843 8.317 1.00 0.00 O ATOM 305 OE2 GLU A 22 -9.169 3.128 9.551 1.00 0.00 O ATOM 0 H GLU A 22 -9.007 3.289 4.473 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.134 1.865 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.130 4.635 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.368 3.808 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.786 1.941 7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.548 2.785 6.565 1.00 0.00 H new ATOM 312 N ALA A 23 -11.987 4.484 3.709 1.00 0.00 N ATOM 313 CA ALA A 23 -13.079 5.162 3.059 1.00 0.00 C ATOM 314 C ALA A 23 -13.668 4.264 1.987 1.00 0.00 C ATOM 315 O ALA A 23 -14.883 4.127 1.881 1.00 0.00 O ATOM 316 CB ALA A 23 -12.611 6.480 2.463 1.00 0.00 C ATOM 0 H ALA A 23 -11.062 4.812 3.432 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.851 5.385 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.450 6.977 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.220 7.119 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.827 6.290 1.730 1.00 0.00 H new ATOM 322 N LEU A 24 -12.786 3.659 1.194 1.00 0.00 N ATOM 323 CA LEU A 24 -13.203 2.765 0.117 1.00 0.00 C ATOM 324 C LEU A 24 -13.396 1.331 0.581 1.00 0.00 C ATOM 325 O LEU A 24 -13.472 0.420 -0.239 1.00 0.00 O ATOM 326 CB LEU A 24 -12.209 2.801 -1.028 1.00 0.00 C ATOM 327 CG LEU A 24 -12.287 4.073 -1.845 1.00 0.00 C ATOM 328 CD1 LEU A 24 -11.584 5.176 -1.098 1.00 0.00 C ATOM 329 CD2 LEU A 24 -11.709 3.869 -3.225 1.00 0.00 C ATOM 0 H LEU A 24 -11.776 3.772 1.278 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.171 3.131 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.200 2.695 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.385 1.946 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.331 4.355 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.634 6.098 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.068 5.328 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.541 4.902 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.778 4.799 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.664 3.572 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.267 3.088 -3.742 1.00 0.00 H new ATOM 341 N SER A 25 -13.456 1.138 1.888 1.00 0.00 N ATOM 342 CA SER A 25 -13.622 -0.192 2.466 1.00 0.00 C ATOM 343 C SER A 25 -14.738 -0.974 1.777 1.00 0.00 C ATOM 344 O SER A 25 -15.884 -0.974 2.228 1.00 0.00 O ATOM 345 CB SER A 25 -13.906 -0.082 3.962 1.00 0.00 C ATOM 346 OG SER A 25 -15.066 0.692 4.208 1.00 0.00 O ATOM 0 H SER A 25 -13.392 1.889 2.576 1.00 0.00 H new ATOM 0 HA SER A 25 -12.691 -0.738 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.034 -1.079 4.385 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.051 0.370 4.465 1.00 0.00 H new ATOM 0 HG SER A 25 -15.823 0.312 3.716 1.00 0.00 H new ATOM 352 N ALA A 26 -14.384 -1.640 0.681 1.00 0.00 N ATOM 353 CA ALA A 26 -15.338 -2.436 -0.085 1.00 0.00 C ATOM 354 C ALA A 26 -16.576 -1.626 -0.429 1.00 0.00 C ATOM 355 O ALA A 26 -17.691 -2.145 -0.494 1.00 0.00 O ATOM 356 CB ALA A 26 -15.733 -3.654 0.703 1.00 0.00 C ATOM 0 H ALA A 26 -13.437 -1.644 0.302 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.858 -2.740 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.445 -4.245 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.848 -4.255 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.193 -3.346 1.642 1.00 0.00 H new ATOM 362 N GLU A 27 -16.354 -0.350 -0.620 1.00 0.00 N ATOM 363 CA GLU A 27 -17.410 0.603 -0.931 1.00 0.00 C ATOM 364 C GLU A 27 -18.121 0.309 -2.242 1.00 0.00 C ATOM 365 O GLU A 27 -19.332 0.504 -2.350 1.00 0.00 O ATOM 366 CB GLU A 27 -16.820 2.003 -0.940 1.00 0.00 C ATOM 367 CG GLU A 27 -16.592 2.520 0.460 1.00 0.00 C ATOM 368 CD GLU A 27 -17.886 2.785 1.204 1.00 0.00 C ATOM 369 OE1 GLU A 27 -18.688 3.614 0.725 1.00 0.00 O ATOM 370 OE2 GLU A 27 -18.098 2.162 2.266 1.00 0.00 O ATOM 0 H GLU A 27 -15.426 0.070 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 27 -18.173 0.516 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.876 1.997 -1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.490 2.677 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.999 1.796 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.010 3.440 0.413 1.00 0.00 H new ATOM 377 N ASP A 28 -17.382 -0.138 -3.244 1.00 0.00 N ATOM 378 CA ASP A 28 -17.984 -0.420 -4.536 1.00 0.00 C ATOM 379 C ASP A 28 -17.109 -1.331 -5.363 1.00 0.00 C ATOM 380 O ASP A 28 -16.795 -1.049 -6.520 1.00 0.00 O ATOM 381 CB ASP A 28 -18.217 0.884 -5.268 1.00 0.00 C ATOM 382 CG ASP A 28 -19.245 0.764 -6.378 1.00 0.00 C ATOM 383 OD1 ASP A 28 -19.739 -0.359 -6.612 1.00 0.00 O ATOM 384 OD2 ASP A 28 -19.551 1.791 -7.017 1.00 0.00 O ATOM 0 H ASP A 28 -16.378 -0.311 -3.190 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.933 -0.931 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.546 1.641 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.274 1.232 -5.690 1.00 0.00 H new ATOM 389 N GLY A 29 -16.722 -2.421 -4.748 1.00 0.00 N ATOM 390 CA GLY A 29 -15.882 -3.386 -5.407 1.00 0.00 C ATOM 391 C GLY A 29 -14.568 -2.783 -5.825 1.00 0.00 C ATOM 392 O GLY A 29 -14.146 -2.929 -6.973 1.00 0.00 O ATOM 0 H GLY A 29 -16.977 -2.661 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.700 -4.228 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.397 -3.780 -6.283 1.00 0.00 H new ATOM 396 N HIS A 30 -13.925 -2.090 -4.893 1.00 0.00 N ATOM 397 CA HIS A 30 -12.651 -1.455 -5.170 1.00 0.00 C ATOM 398 C HIS A 30 -11.522 -2.476 -5.219 1.00 0.00 C ATOM 399 O HIS A 30 -10.439 -2.246 -4.683 1.00 0.00 O ATOM 400 CB HIS A 30 -12.345 -0.358 -4.144 1.00 0.00 C ATOM 401 CG HIS A 30 -13.195 0.865 -4.324 1.00 0.00 C ATOM 402 ND1 HIS A 30 -14.121 1.444 -3.519 1.00 0.00 N flip ATOM 403 CD2 HIS A 30 -13.145 1.641 -5.463 1.00 0.00 C flip ATOM 404 CE1 HIS A 30 -14.603 2.546 -4.182 1.00 0.00 C flip ATOM 405 NE2 HIS A 30 -13.997 2.643 -5.350 1.00 0.00 N flip ATOM 0 H HIS A 30 -14.268 -1.956 -3.942 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.725 -0.989 -6.153 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.496 -0.755 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.294 -0.078 -4.221 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.508 1.457 -6.315 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -15.356 3.224 -3.808 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -14.159 3.369 -6.048 1.00 0.00 H new ATOM 414 N ASP A 31 -11.777 -3.598 -5.884 1.00 0.00 N ATOM 415 CA ASP A 31 -10.779 -4.647 -6.027 1.00 0.00 C ATOM 416 C ASP A 31 -9.530 -4.092 -6.704 1.00 0.00 C ATOM 417 O ASP A 31 -8.453 -4.684 -6.631 1.00 0.00 O ATOM 418 CB ASP A 31 -11.347 -5.819 -6.831 1.00 0.00 C ATOM 419 CG ASP A 31 -11.864 -5.403 -8.195 1.00 0.00 C ATOM 420 OD1 ASP A 31 -11.823 -4.194 -8.504 1.00 0.00 O ATOM 421 OD2 ASP A 31 -12.318 -6.286 -8.951 1.00 0.00 O ATOM 0 H ASP A 31 -12.670 -3.803 -6.333 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.508 -5.010 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.573 -6.576 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.157 -6.282 -6.267 1.00 0.00 H new ATOM 426 N ASP A 32 -9.685 -2.937 -7.348 1.00 0.00 N ATOM 427 CA ASP A 32 -8.574 -2.277 -8.024 1.00 0.00 C ATOM 428 C ASP A 32 -7.556 -1.833 -7.008 1.00 0.00 C ATOM 429 O ASP A 32 -6.353 -1.825 -7.265 1.00 0.00 O ATOM 430 CB ASP A 32 -9.066 -1.074 -8.835 1.00 0.00 C ATOM 431 CG ASP A 32 -10.022 -1.465 -9.944 1.00 0.00 C ATOM 432 OD1 ASP A 32 -11.081 -2.047 -9.637 1.00 0.00 O ATOM 433 OD2 ASP A 32 -9.713 -1.184 -11.120 1.00 0.00 O ATOM 0 H ASP A 32 -10.573 -2.439 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.114 -2.986 -8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.561 -0.369 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.209 -0.557 -9.266 1.00 0.00 H new ATOM 438 N VAL A 33 -8.060 -1.468 -5.851 1.00 0.00 N ATOM 439 CA VAL A 33 -7.230 -1.018 -4.771 1.00 0.00 C ATOM 440 C VAL A 33 -6.276 -2.108 -4.314 1.00 0.00 C ATOM 441 O VAL A 33 -5.080 -1.872 -4.169 1.00 0.00 O ATOM 442 CB VAL A 33 -8.098 -0.586 -3.601 1.00 0.00 C ATOM 443 CG1 VAL A 33 -7.240 -0.061 -2.469 1.00 0.00 C ATOM 444 CG2 VAL A 33 -9.101 0.449 -4.065 1.00 0.00 C ATOM 0 H VAL A 33 -9.057 -1.477 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.641 -0.174 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.647 -1.448 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.878 0.244 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.560 -0.844 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.663 0.796 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.722 0.757 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.572 1.316 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.732 0.021 -4.844 1.00 0.00 H new ATOM 454 N GLY A 34 -6.814 -3.303 -4.098 1.00 0.00 N ATOM 455 CA GLY A 34 -5.991 -4.415 -3.672 1.00 0.00 C ATOM 456 C GLY A 34 -4.963 -4.768 -4.705 1.00 0.00 C ATOM 457 O GLY A 34 -3.836 -5.121 -4.380 1.00 0.00 O ATOM 0 H GLY A 34 -7.804 -3.520 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.494 -4.163 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.622 -5.281 -3.475 1.00 0.00 H new ATOM 461 N GLN A 35 -5.360 -4.661 -5.961 1.00 0.00 N ATOM 462 CA GLN A 35 -4.474 -4.952 -7.065 1.00 0.00 C ATOM 463 C GLN A 35 -3.263 -4.042 -7.010 1.00 0.00 C ATOM 464 O GLN A 35 -2.138 -4.465 -7.275 1.00 0.00 O ATOM 465 CB GLN A 35 -5.227 -4.781 -8.378 1.00 0.00 C ATOM 466 CG GLN A 35 -6.242 -5.880 -8.655 1.00 0.00 C ATOM 467 CD GLN A 35 -5.609 -7.252 -8.785 1.00 0.00 C ATOM 468 OE1 GLN A 35 -4.990 -7.757 -7.847 1.00 0.00 O ATOM 469 NE2 GLN A 35 -5.762 -7.865 -9.953 1.00 0.00 N ATOM 0 H GLN A 35 -6.298 -4.372 -6.239 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.126 -5.983 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.741 -3.820 -8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.508 -4.750 -9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.977 -5.900 -7.850 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.781 -5.646 -9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.282 -7.410 -10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.359 -8.791 -10.100 1.00 0.00 H new ATOM 478 N ARG A 36 -3.501 -2.799 -6.627 1.00 0.00 N ATOM 479 CA ARG A 36 -2.444 -1.831 -6.488 1.00 0.00 C ATOM 480 C ARG A 36 -1.670 -2.150 -5.225 1.00 0.00 C ATOM 481 O ARG A 36 -0.444 -2.191 -5.218 1.00 0.00 O ATOM 482 CB ARG A 36 -3.019 -0.419 -6.422 1.00 0.00 C ATOM 483 CG ARG A 36 -3.876 -0.058 -7.616 1.00 0.00 C ATOM 484 CD ARG A 36 -3.023 0.057 -8.858 1.00 0.00 C ATOM 485 NE ARG A 36 -3.817 0.300 -10.059 1.00 0.00 N ATOM 486 CZ ARG A 36 -3.295 0.434 -11.276 1.00 0.00 C ATOM 487 NH1 ARG A 36 -1.982 0.344 -11.451 1.00 0.00 N ATOM 488 NH2 ARG A 36 -4.084 0.657 -12.318 1.00 0.00 N ATOM 0 H ARG A 36 -4.430 -2.441 -6.406 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.780 -1.878 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.615 -0.320 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.199 0.295 -6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.645 -0.817 -7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.390 0.885 -7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.307 0.868 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.447 -0.860 -8.986 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.830 0.371 -9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.372 0.172 -10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.584 0.447 -12.384 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.093 0.726 -12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.682 0.759 -13.250 1.00 0.00 H new ATOM 502 N LEU A 37 -2.427 -2.405 -4.166 1.00 0.00 N ATOM 503 CA LEU A 37 -1.893 -2.759 -2.881 1.00 0.00 C ATOM 504 C LEU A 37 -0.933 -3.926 -2.983 1.00 0.00 C ATOM 505 O LEU A 37 0.114 -3.954 -2.339 1.00 0.00 O ATOM 506 CB LEU A 37 -3.057 -3.113 -1.990 1.00 0.00 C ATOM 507 CG LEU A 37 -3.562 -1.947 -1.183 1.00 0.00 C ATOM 508 CD1 LEU A 37 -4.790 -2.317 -0.369 1.00 0.00 C ATOM 509 CD2 LEU A 37 -2.451 -1.432 -0.285 1.00 0.00 C ATOM 0 H LEU A 37 -3.446 -2.368 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.330 -1.921 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.870 -3.502 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.758 -3.913 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.863 -1.157 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.125 -1.449 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.587 -2.641 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.541 -3.127 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.817 -0.588 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.129 -2.227 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.608 -1.111 -0.897 1.00 0.00 H new ATOM 521 N GLU A 38 -1.316 -4.890 -3.798 1.00 0.00 N ATOM 522 CA GLU A 38 -0.522 -6.077 -4.004 1.00 0.00 C ATOM 523 C GLU A 38 0.663 -5.764 -4.879 1.00 0.00 C ATOM 524 O GLU A 38 1.794 -6.106 -4.563 1.00 0.00 O ATOM 525 CB GLU A 38 -1.389 -7.157 -4.635 1.00 0.00 C ATOM 526 CG GLU A 38 -0.944 -8.568 -4.298 1.00 0.00 C ATOM 527 CD GLU A 38 -1.764 -9.627 -5.010 1.00 0.00 C ATOM 528 OE1 GLU A 38 -2.669 -9.255 -5.789 1.00 0.00 O ATOM 529 OE2 GLU A 38 -1.504 -10.828 -4.789 1.00 0.00 O ATOM 0 H GLU A 38 -2.184 -4.869 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.148 -6.438 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.419 -7.022 -4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.381 -7.031 -5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.106 -8.687 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.018 -8.720 -3.221 1.00 0.00 H new ATOM 536 N SER A 39 0.386 -5.082 -5.964 1.00 0.00 N ATOM 537 CA SER A 39 1.432 -4.676 -6.894 1.00 0.00 C ATOM 538 C SER A 39 2.543 -3.972 -6.128 1.00 0.00 C ATOM 539 O SER A 39 3.721 -4.248 -6.329 1.00 0.00 O ATOM 540 CB SER A 39 0.869 -3.750 -7.973 1.00 0.00 C ATOM 541 OG SER A 39 -0.060 -4.432 -8.798 1.00 0.00 O ATOM 0 H SER A 39 -0.554 -4.792 -6.232 1.00 0.00 H new ATOM 0 HA SER A 39 1.832 -5.564 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.384 -2.894 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.684 -3.360 -8.583 1.00 0.00 H new ATOM 0 HG SER A 39 -0.814 -4.742 -8.254 1.00 0.00 H new ATOM 547 N LEU A 40 2.150 -3.082 -5.226 1.00 0.00 N ATOM 548 CA LEU A 40 3.084 -2.355 -4.408 1.00 0.00 C ATOM 549 C LEU A 40 4.036 -3.305 -3.713 1.00 0.00 C ATOM 550 O LEU A 40 5.256 -3.157 -3.797 1.00 0.00 O ATOM 551 CB LEU A 40 2.317 -1.554 -3.364 1.00 0.00 C ATOM 552 CG LEU A 40 1.486 -0.393 -3.905 1.00 0.00 C ATOM 553 CD1 LEU A 40 0.856 0.379 -2.758 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.344 0.519 -4.759 1.00 0.00 C ATOM 0 H LEU A 40 1.172 -2.851 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 40 3.662 -1.685 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.655 -2.232 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.029 -1.161 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 40 0.688 -0.794 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.266 1.205 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.210 -0.285 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.640 0.772 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.737 1.341 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.161 0.918 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.752 -0.045 -5.597 1.00 0.00 H new ATOM 566 N LEU A 41 3.465 -4.275 -3.019 1.00 0.00 N ATOM 567 CA LEU A 41 4.248 -5.253 -2.291 1.00 0.00 C ATOM 568 C LEU A 41 4.956 -6.231 -3.192 1.00 0.00 C ATOM 569 O LEU A 41 6.160 -6.395 -3.110 1.00 0.00 O ATOM 570 CB LEU A 41 3.367 -6.027 -1.367 1.00 0.00 C ATOM 571 CG LEU A 41 3.409 -5.569 0.083 1.00 0.00 C ATOM 572 CD1 LEU A 41 2.580 -6.496 0.941 1.00 0.00 C ATOM 573 CD2 LEU A 41 4.838 -5.526 0.595 1.00 0.00 C ATOM 0 H LEU A 41 2.456 -4.405 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 41 5.002 -4.690 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.340 -5.960 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.652 -7.078 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 41 2.995 -4.562 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.615 -6.161 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.547 -6.488 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.978 -7.508 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.843 -5.196 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.278 -6.521 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.420 -4.830 -0.009 1.00 0.00 H new ATOM 585 N ARG A 42 4.206 -6.909 -4.034 1.00 0.00 N ATOM 586 CA ARG A 42 4.798 -7.886 -4.917 1.00 0.00 C ATOM 587 C ARG A 42 6.035 -7.293 -5.563 1.00 0.00 C ATOM 588 O ARG A 42 6.989 -8.001 -5.882 1.00 0.00 O ATOM 589 CB ARG A 42 3.796 -8.344 -5.978 1.00 0.00 C ATOM 590 CG ARG A 42 4.334 -9.428 -6.898 1.00 0.00 C ATOM 591 CD ARG A 42 4.662 -10.696 -6.128 1.00 0.00 C ATOM 592 NE ARG A 42 5.190 -11.744 -6.995 1.00 0.00 N ATOM 593 CZ ARG A 42 5.535 -12.953 -6.563 1.00 0.00 C ATOM 594 NH1 ARG A 42 5.400 -13.265 -5.281 1.00 0.00 N ATOM 595 NH2 ARG A 42 6.012 -13.850 -7.413 1.00 0.00 N ATOM 0 H ARG A 42 3.196 -6.802 -4.124 1.00 0.00 H new ATOM 0 HA ARG A 42 5.083 -8.764 -4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.898 -8.713 -5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.498 -7.485 -6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.598 -9.650 -7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.229 -9.066 -7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.391 -10.469 -5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.764 -11.058 -5.628 1.00 0.00 H new ATOM 0 HE ARG A 42 5.301 -11.538 -7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.031 -12.577 -4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.665 -14.193 -4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.115 -13.613 -8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.276 -14.777 -7.081 1.00 0.00 H new ATOM 609 N ARG A 43 6.023 -5.974 -5.705 1.00 0.00 N ATOM 610 CA ARG A 43 7.150 -5.262 -6.254 1.00 0.00 C ATOM 611 C ARG A 43 8.107 -4.907 -5.127 1.00 0.00 C ATOM 612 O ARG A 43 9.325 -4.914 -5.300 1.00 0.00 O ATOM 613 CB ARG A 43 6.708 -4.002 -7.005 1.00 0.00 C ATOM 614 CG ARG A 43 5.785 -4.277 -8.185 1.00 0.00 C ATOM 615 CD ARG A 43 6.364 -5.320 -9.126 1.00 0.00 C ATOM 616 NE ARG A 43 5.548 -5.489 -10.326 1.00 0.00 N ATOM 617 CZ ARG A 43 5.847 -6.335 -11.306 1.00 0.00 C ATOM 618 NH1 ARG A 43 6.942 -7.081 -11.234 1.00 0.00 N ATOM 619 NH2 ARG A 43 5.052 -6.436 -12.362 1.00 0.00 N ATOM 0 H ARG A 43 5.236 -5.380 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 43 7.654 -5.904 -6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.201 -3.335 -6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.593 -3.476 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.817 -4.617 -7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.610 -3.351 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.374 -5.028 -9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.444 -6.274 -8.605 1.00 0.00 H new ATOM 0 HE ARG A 43 4.702 -4.926 -10.417 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.558 -7.006 -10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.168 -7.729 -11.988 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.210 -5.864 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.283 -7.086 -13.114 1.00 0.00 H new ATOM 633 N TRP A 44 7.532 -4.621 -3.960 1.00 0.00 N ATOM 634 CA TRP A 44 8.298 -4.288 -2.782 1.00 0.00 C ATOM 635 C TRP A 44 9.051 -5.516 -2.269 1.00 0.00 C ATOM 636 O TRP A 44 10.279 -5.512 -2.181 1.00 0.00 O ATOM 637 CB TRP A 44 7.361 -3.770 -1.703 1.00 0.00 C ATOM 638 CG TRP A 44 8.079 -3.418 -0.451 1.00 0.00 C ATOM 639 CD1 TRP A 44 7.884 -4.009 0.745 1.00 0.00 C ATOM 640 CD2 TRP A 44 9.100 -2.426 -0.258 1.00 0.00 C ATOM 641 NE1 TRP A 44 8.695 -3.443 1.695 1.00 0.00 N ATOM 642 CE2 TRP A 44 9.459 -2.475 1.101 1.00 0.00 C ATOM 643 CE3 TRP A 44 9.750 -1.495 -1.087 1.00 0.00 C ATOM 644 CZ2 TRP A 44 10.428 -1.642 1.645 1.00 0.00 C ATOM 645 CZ3 TRP A 44 10.708 -0.671 -0.522 1.00 0.00 C ATOM 646 CH2 TRP A 44 11.034 -0.753 0.819 1.00 0.00 C ATOM 0 H TRP A 44 6.522 -4.616 -3.815 1.00 0.00 H new ATOM 0 HA TRP A 44 9.026 -3.518 -3.037 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.833 -2.892 -2.075 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.607 -4.527 -1.486 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.188 -4.814 0.929 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.724 -3.701 2.681 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.508 -1.425 -2.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.690 -1.700 2.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 11.213 0.053 -1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 44 11.790 -0.093 1.219 1.00 0.00 H new ATOM 657 N ASN A 45 8.297 -6.567 -1.940 1.00 0.00 N ATOM 658 CA ASN A 45 8.872 -7.810 -1.447 1.00 0.00 C ATOM 659 C ASN A 45 9.890 -8.380 -2.422 1.00 0.00 C ATOM 660 O ASN A 45 10.870 -9.009 -2.021 1.00 0.00 O ATOM 661 CB ASN A 45 7.755 -8.816 -1.193 1.00 0.00 C ATOM 662 CG ASN A 45 6.963 -8.506 0.050 1.00 0.00 C ATOM 663 OD1 ASN A 45 5.698 -8.170 -0.140 1.00 0.00 O flip ATOM 664 ND2 ASN A 45 7.481 -8.553 1.166 1.00 0.00 N flip ATOM 0 H ASN A 45 7.279 -6.576 -2.009 1.00 0.00 H new ATOM 0 HA ASN A 45 9.397 -7.603 -0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.084 -8.831 -2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.184 -9.814 -1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.461 -8.818 1.263 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.930 -8.327 1.994 1.00 0.00 H new ATOM 671 N SER A 46 9.650 -8.155 -3.699 1.00 0.00 N ATOM 672 CA SER A 46 10.543 -8.642 -4.746 1.00 0.00 C ATOM 673 C SER A 46 11.923 -8.012 -4.613 1.00 0.00 C ATOM 674 O SER A 46 12.940 -8.703 -4.653 1.00 0.00 O ATOM 675 CB SER A 46 9.967 -8.336 -6.125 1.00 0.00 C ATOM 676 OG SER A 46 10.827 -8.794 -7.153 1.00 0.00 O ATOM 0 H SER A 46 8.842 -7.636 -4.043 1.00 0.00 H new ATOM 0 HA SER A 46 10.638 -9.722 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.990 -8.809 -6.227 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.813 -7.262 -6.228 1.00 0.00 H new ATOM 0 HG SER A 46 10.433 -8.586 -8.026 1.00 0.00 H new ATOM 682 N ARG A 47 11.946 -6.695 -4.444 1.00 0.00 N ATOM 683 CA ARG A 47 13.196 -5.965 -4.294 1.00 0.00 C ATOM 684 C ARG A 47 13.976 -6.501 -3.104 1.00 0.00 C ATOM 685 O ARG A 47 15.206 -6.552 -3.125 1.00 0.00 O ATOM 686 CB ARG A 47 12.911 -4.480 -4.127 1.00 0.00 C ATOM 687 CG ARG A 47 12.182 -3.884 -5.317 1.00 0.00 C ATOM 688 CD ARG A 47 11.683 -2.491 -5.007 1.00 0.00 C ATOM 689 NE ARG A 47 10.987 -1.884 -6.139 1.00 0.00 N ATOM 690 CZ ARG A 47 11.562 -1.622 -7.311 1.00 0.00 C ATOM 691 NH1 ARG A 47 12.844 -1.900 -7.503 1.00 0.00 N ATOM 692 NH2 ARG A 47 10.854 -1.074 -8.288 1.00 0.00 N ATOM 0 H ARG A 47 11.110 -6.111 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 47 13.801 -6.103 -5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.314 -4.328 -3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.851 -3.949 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.850 -3.851 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.342 -4.522 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.011 -2.531 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.526 -1.861 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 47 10.002 -1.647 -6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.394 -2.316 -6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.281 -1.698 -8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.869 -0.853 -8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.294 -0.873 -9.186 1.00 0.00 H new ATOM 706 N ARG A 48 13.244 -6.923 -2.079 1.00 0.00 N ATOM 707 CA ARG A 48 13.852 -7.485 -0.885 1.00 0.00 C ATOM 708 C ARG A 48 14.769 -8.630 -1.275 1.00 0.00 C ATOM 709 O ARG A 48 15.950 -8.661 -0.927 1.00 0.00 O ATOM 710 CB ARG A 48 12.764 -8.010 0.050 1.00 0.00 C ATOM 711 CG ARG A 48 11.790 -6.950 0.520 1.00 0.00 C ATOM 712 CD ARG A 48 12.521 -5.801 1.169 1.00 0.00 C ATOM 713 NE ARG A 48 13.170 -6.200 2.416 1.00 0.00 N ATOM 714 CZ ARG A 48 13.916 -5.385 3.154 1.00 0.00 C ATOM 715 NH1 ARG A 48 14.113 -4.130 2.771 1.00 0.00 N ATOM 716 NH2 ARG A 48 14.468 -5.826 4.276 1.00 0.00 N ATOM 0 H ARG A 48 12.225 -6.885 -2.054 1.00 0.00 H new ATOM 0 HA ARG A 48 14.426 -6.710 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.209 -8.797 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 48 13.236 -8.466 0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.207 -6.585 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.086 -7.386 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.270 -5.412 0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.819 -4.991 1.368 1.00 0.00 H new ATOM 0 HE ARG A 48 13.043 -7.159 2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.691 -3.788 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.686 -3.507 3.340 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.320 -6.791 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.041 -5.201 4.843 1.00 0.00 H new ATOM 730 N ALA A 49 14.192 -9.561 -2.012 1.00 0.00 N ATOM 731 CA ALA A 49 14.907 -10.736 -2.492 1.00 0.00 C ATOM 732 C ALA A 49 16.121 -10.347 -3.319 1.00 0.00 C ATOM 733 O ALA A 49 17.168 -10.992 -3.251 1.00 0.00 O ATOM 734 CB ALA A 49 13.972 -11.621 -3.305 1.00 0.00 C ATOM 0 H ALA A 49 13.213 -9.527 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 49 15.261 -11.293 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.516 -12.497 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.138 -11.940 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.591 -11.060 -4.159 1.00 0.00 H new ATOM 740 N ASP A 50 15.966 -9.288 -4.093 1.00 0.00 N ATOM 741 CA ASP A 50 17.038 -8.790 -4.946 1.00 0.00 C ATOM 742 C ASP A 50 17.667 -9.930 -5.746 1.00 0.00 C ATOM 743 O ASP A 50 18.887 -9.998 -5.902 1.00 0.00 O ATOM 744 CB ASP A 50 18.093 -8.089 -4.092 1.00 0.00 C ATOM 745 CG ASP A 50 19.142 -7.372 -4.921 1.00 0.00 C ATOM 746 OD1 ASP A 50 19.029 -7.384 -6.166 1.00 0.00 O ATOM 747 OD2 ASP A 50 20.076 -6.795 -4.326 1.00 0.00 O ATOM 0 H ASP A 50 15.101 -8.750 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 50 16.620 -8.074 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 50 17.603 -7.371 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 50 18.582 -8.824 -3.452 1.00 0.00 H new ATOM 752 N ALA A 51 16.822 -10.825 -6.249 1.00 0.00 N ATOM 753 CA ALA A 51 17.286 -11.965 -7.031 1.00 0.00 C ATOM 754 C ALA A 51 16.122 -12.667 -7.729 1.00 0.00 C ATOM 755 O ALA A 51 15.841 -13.837 -7.465 1.00 0.00 O ATOM 756 CB ALA A 51 18.042 -12.944 -6.143 1.00 0.00 C ATOM 0 H ALA A 51 15.810 -10.782 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 51 17.963 -11.593 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 51 18.382 -13.790 -6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 51 18.903 -12.443 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.383 -13.301 -5.352 1.00 0.00 H new ATOM 762 N PRO A 52 15.422 -11.955 -8.632 1.00 0.00 N ATOM 763 CA PRO A 52 14.282 -12.512 -9.369 1.00 0.00 C ATOM 764 C PRO A 52 14.700 -13.607 -10.351 1.00 0.00 C ATOM 765 O PRO A 52 15.492 -14.486 -10.010 1.00 0.00 O ATOM 766 CB PRO A 52 13.711 -11.301 -10.114 1.00 0.00 C ATOM 767 CG PRO A 52 14.855 -10.356 -10.240 1.00 0.00 C ATOM 768 CD PRO A 52 15.693 -10.554 -9.007 1.00 0.00 C ATOM 0 HA PRO A 52 13.564 -12.993 -8.705 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.324 -11.585 -11.092 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.885 -10.851 -9.563 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.433 -10.560 -11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 52 14.505 -9.326 -10.313 1.00 0.00 H new ATOM 0 HD2 PRO A 52 16.751 -10.390 -9.210 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.409 -9.863 -8.213 1.00 0.00 H new ATOM 776 N SER A 53 14.161 -13.552 -11.567 1.00 0.00 N ATOM 777 CA SER A 53 14.479 -14.542 -12.591 1.00 0.00 C ATOM 778 C SER A 53 13.954 -14.100 -13.955 1.00 0.00 C ATOM 779 O SER A 53 13.252 -14.849 -14.635 1.00 0.00 O ATOM 780 CB SER A 53 13.886 -15.902 -12.216 1.00 0.00 C ATOM 781 OG SER A 53 14.201 -16.883 -13.189 1.00 0.00 O ATOM 0 H SER A 53 13.503 -12.833 -11.866 1.00 0.00 H new ATOM 0 HA SER A 53 15.564 -14.632 -12.652 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.269 -16.213 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.804 -15.816 -12.119 1.00 0.00 H new ATOM 0 HG SER A 53 13.897 -16.580 -14.070 1.00 0.00 H new ATOM 787 N THR A 54 14.299 -12.877 -14.345 1.00 0.00 N ATOM 788 CA THR A 54 13.863 -12.330 -15.625 1.00 0.00 C ATOM 789 C THR A 54 14.630 -11.056 -15.967 1.00 0.00 C ATOM 790 O THR A 54 14.997 -10.833 -17.121 1.00 0.00 O ATOM 791 CB THR A 54 12.352 -12.027 -15.625 1.00 0.00 C ATOM 792 OG1 THR A 54 11.968 -11.451 -16.880 1.00 0.00 O ATOM 793 CG2 THR A 54 11.986 -11.079 -14.493 1.00 0.00 C ATOM 0 H THR A 54 14.879 -12.246 -13.793 1.00 0.00 H new ATOM 0 HA THR A 54 14.070 -13.089 -16.380 1.00 0.00 H new ATOM 0 HB THR A 54 11.818 -12.965 -15.476 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.006 -11.263 -16.873 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.914 -10.882 -14.516 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.251 -11.533 -13.538 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.530 -10.142 -14.613 1.00 0.00 H new ATOM 801 N SER A 55 14.870 -10.224 -14.957 1.00 0.00 N ATOM 802 CA SER A 55 15.595 -8.974 -15.151 1.00 0.00 C ATOM 803 C SER A 55 16.990 -9.237 -15.706 1.00 0.00 C ATOM 804 O SER A 55 17.448 -8.544 -16.615 1.00 0.00 O ATOM 805 CB SER A 55 15.694 -8.208 -13.830 1.00 0.00 C ATOM 806 OG SER A 55 14.408 -7.900 -13.320 1.00 0.00 O ATOM 0 H SER A 55 14.573 -10.394 -13.996 1.00 0.00 H new ATOM 0 HA SER A 55 15.044 -8.370 -15.872 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.244 -8.803 -13.101 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.258 -7.288 -13.981 1.00 0.00 H new ATOM 0 HG SER A 55 14.499 -7.412 -12.475 1.00 0.00 H new ATOM 812 N ALA A 56 17.661 -10.242 -15.153 1.00 0.00 N ATOM 813 CA ALA A 56 19.005 -10.601 -15.592 1.00 0.00 C ATOM 814 C ALA A 56 19.014 -10.993 -17.065 1.00 0.00 C ATOM 815 O ALA A 56 18.121 -11.698 -17.535 1.00 0.00 O ATOM 816 CB ALA A 56 19.552 -11.736 -14.738 1.00 0.00 C ATOM 0 H ALA A 56 17.295 -10.823 -14.399 1.00 0.00 H new ATOM 0 HA ALA A 56 19.646 -9.728 -15.472 1.00 0.00 H new ATOM 0 HB1 ALA A 56 20.556 -11.994 -15.076 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.590 -11.421 -13.695 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.903 -12.607 -14.831 1.00 0.00 H new ATOM 822 N ILE A 57 20.028 -10.529 -17.790 1.00 0.00 N ATOM 823 CA ILE A 57 20.154 -10.828 -19.210 1.00 0.00 C ATOM 824 C ILE A 57 20.209 -12.332 -19.467 1.00 0.00 C ATOM 825 O ILE A 57 20.699 -13.099 -18.636 1.00 0.00 O ATOM 826 CB ILE A 57 21.383 -10.125 -19.833 1.00 0.00 C ATOM 827 CG1 ILE A 57 22.643 -10.368 -19.000 1.00 0.00 C ATOM 828 CG2 ILE A 57 21.120 -8.633 -19.971 1.00 0.00 C ATOM 829 CD1 ILE A 57 23.138 -11.790 -19.065 1.00 0.00 C ATOM 0 H ILE A 57 20.775 -9.944 -17.415 1.00 0.00 H new ATOM 0 HA ILE A 57 19.260 -10.437 -19.695 1.00 0.00 H new ATOM 0 HB ILE A 57 21.549 -10.550 -20.823 1.00 0.00 H new ATOM 0 HG12 ILE A 57 23.432 -9.700 -19.345 1.00 0.00 H new ATOM 0 HG13 ILE A 57 22.438 -10.109 -17.961 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.992 -8.149 -20.411 1.00 0.00 H new ATOM 0 HG22 ILE A 57 20.254 -8.474 -20.614 1.00 0.00 H new ATOM 0 HG23 ILE A 57 20.925 -8.205 -18.988 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.034 -11.892 -18.452 1.00 0.00 H new ATOM 0 HD12 ILE A 57 22.365 -12.462 -18.692 1.00 0.00 H new ATOM 0 HD13 ILE A 57 23.374 -12.046 -20.098 1.00 0.00 H new ATOM 841 N SER A 58 19.687 -12.749 -20.617 1.00 0.00 N ATOM 842 CA SER A 58 19.666 -14.162 -20.983 1.00 0.00 C ATOM 843 C SER A 58 21.076 -14.667 -21.291 1.00 0.00 C ATOM 844 O SER A 58 22.032 -14.325 -20.596 1.00 0.00 O ATOM 845 CB SER A 58 18.748 -14.382 -22.187 1.00 0.00 C ATOM 846 OG SER A 58 17.406 -14.053 -21.875 1.00 0.00 O ATOM 0 H SER A 58 19.273 -12.128 -21.312 1.00 0.00 H new ATOM 0 HA SER A 58 19.280 -14.729 -20.136 1.00 0.00 H new ATOM 0 HB2 SER A 58 19.089 -13.773 -23.024 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.805 -15.423 -22.506 1.00 0.00 H new ATOM 0 HG SER A 58 16.841 -14.201 -22.662 1.00 0.00 H new ATOM 852 N GLU A 59 21.199 -15.481 -22.339 1.00 0.00 N ATOM 853 CA GLU A 59 22.490 -16.032 -22.739 1.00 0.00 C ATOM 854 C GLU A 59 22.526 -16.287 -24.242 1.00 0.00 C ATOM 855 O GLU A 59 22.992 -17.334 -24.695 1.00 0.00 O ATOM 856 CB GLU A 59 22.773 -17.337 -21.987 1.00 0.00 C ATOM 857 CG GLU A 59 22.868 -17.172 -20.479 1.00 0.00 C ATOM 858 CD GLU A 59 23.140 -18.480 -19.762 1.00 0.00 C ATOM 859 OE1 GLU A 59 23.253 -19.521 -20.444 1.00 0.00 O ATOM 860 OE2 GLU A 59 23.240 -18.466 -18.516 1.00 0.00 O ATOM 0 H GLU A 59 20.418 -15.773 -22.926 1.00 0.00 H new ATOM 0 HA GLU A 59 23.260 -15.302 -22.488 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.985 -18.054 -22.215 1.00 0.00 H new ATOM 0 HB3 GLU A 59 23.707 -17.762 -22.355 1.00 0.00 H new ATOM 0 HG2 GLU A 59 23.662 -16.462 -20.245 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.938 -16.744 -20.105 1.00 0.00 H new ATOM 867 N ASP A 60 22.029 -15.323 -25.012 1.00 0.00 N ATOM 868 CA ASP A 60 22.002 -15.441 -26.467 1.00 0.00 C ATOM 869 C ASP A 60 23.414 -15.569 -27.028 1.00 0.00 C ATOM 870 O ASP A 60 23.738 -16.646 -27.573 1.00 0.00 O ATOM 871 CB ASP A 60 21.304 -14.228 -27.084 1.00 0.00 C ATOM 872 CG ASP A 60 21.243 -14.304 -28.598 1.00 0.00 C ATOM 873 OD1 ASP A 60 20.648 -15.268 -29.120 1.00 0.00 O ATOM 874 OD2 ASP A 60 21.793 -13.397 -29.259 1.00 0.00 O ATOM 875 OXT ASP A 60 24.185 -14.593 -26.919 1.00 0.00 O ATOM 0 H ASP A 60 21.639 -14.451 -24.653 1.00 0.00 H new ATOM 0 HA ASP A 60 21.445 -16.342 -26.724 1.00 0.00 H new ATOM 0 HB2 ASP A 60 20.292 -14.153 -26.686 1.00 0.00 H new ATOM 0 HB3 ASP A 60 21.831 -13.320 -26.789 1.00 0.00 H new TER 880 ASP A 60 ATOM 881 N GLY B 1 -11.707 22.503 8.486 1.00 0.00 N ATOM 882 CA GLY B 1 -11.495 22.635 7.018 1.00 0.00 C ATOM 883 C GLY B 1 -10.092 22.243 6.598 1.00 0.00 C ATOM 884 O GLY B 1 -9.115 22.642 7.232 1.00 0.00 O ATOM 0 H1 GLY B 1 -12.680 22.782 8.723 1.00 0.00 H new ATOM 0 H2 GLY B 1 -11.551 21.515 8.772 1.00 0.00 H new ATOM 0 H3 GLY B 1 -11.038 23.119 8.990 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -12.217 22.010 6.492 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -11.687 23.665 6.717 1.00 0.00 H new ATOM 890 N SER B 2 -9.998 21.460 5.524 1.00 0.00 N ATOM 891 CA SER B 2 -8.710 21.005 5.005 1.00 0.00 C ATOM 892 C SER B 2 -8.003 20.095 6.008 1.00 0.00 C ATOM 893 O SER B 2 -7.924 20.404 7.196 1.00 0.00 O ATOM 894 CB SER B 2 -7.820 22.202 4.663 1.00 0.00 C ATOM 895 OG SER B 2 -6.594 21.782 4.091 1.00 0.00 O ATOM 0 H SER B 2 -10.803 21.126 4.994 1.00 0.00 H new ATOM 0 HA SER B 2 -8.898 20.432 4.097 1.00 0.00 H new ATOM 0 HB2 SER B 2 -8.342 22.860 3.968 1.00 0.00 H new ATOM 0 HB3 SER B 2 -7.624 22.782 5.565 1.00 0.00 H new ATOM 0 HG SER B 2 -6.045 22.566 3.881 1.00 0.00 H new ATOM 901 N ALA B 3 -7.490 18.970 5.516 1.00 0.00 N ATOM 902 CA ALA B 3 -6.790 18.011 6.364 1.00 0.00 C ATOM 903 C ALA B 3 -6.156 16.903 5.524 1.00 0.00 C ATOM 904 O ALA B 3 -5.601 17.164 4.457 1.00 0.00 O ATOM 905 CB ALA B 3 -7.746 17.424 7.393 1.00 0.00 C ATOM 0 H ALA B 3 -7.546 18.701 4.534 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.991 18.534 6.889 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -7.212 16.710 8.020 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -8.147 18.224 8.015 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -8.564 16.917 6.882 1.00 0.00 H new ATOM 911 N ALA B 4 -6.241 15.665 6.010 1.00 0.00 N ATOM 912 CA ALA B 4 -5.676 14.526 5.297 1.00 0.00 C ATOM 913 C ALA B 4 -6.333 14.355 3.932 1.00 0.00 C ATOM 914 O ALA B 4 -5.655 14.125 2.930 1.00 0.00 O ATOM 915 CB ALA B 4 -5.831 13.257 6.121 1.00 0.00 C ATOM 0 H ALA B 4 -6.695 15.428 6.892 1.00 0.00 H new ATOM 0 HA ALA B 4 -4.614 14.716 5.141 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -5.405 12.415 5.576 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -5.311 13.375 7.072 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -6.889 13.071 6.307 1.00 0.00 H new ATOM 921 N SER B 5 -7.658 14.470 3.903 1.00 0.00 N ATOM 922 CA SER B 5 -8.415 14.329 2.662 1.00 0.00 C ATOM 923 C SER B 5 -8.133 12.986 1.993 1.00 0.00 C ATOM 924 O SER B 5 -7.726 12.940 0.831 1.00 0.00 O ATOM 925 CB SER B 5 -8.081 15.470 1.699 1.00 0.00 C ATOM 926 OG SER B 5 -8.476 16.722 2.229 1.00 0.00 O ATOM 0 H SER B 5 -8.230 14.661 4.725 1.00 0.00 H new ATOM 0 HA SER B 5 -9.475 14.372 2.913 1.00 0.00 H new ATOM 0 HB2 SER B 5 -7.009 15.479 1.500 1.00 0.00 H new ATOM 0 HB3 SER B 5 -8.581 15.302 0.745 1.00 0.00 H new ATOM 0 HG SER B 5 -8.249 17.433 1.593 1.00 0.00 H new ATOM 932 N PRO B 6 -8.346 11.866 2.710 1.00 0.00 N ATOM 933 CA PRO B 6 -8.108 10.532 2.156 1.00 0.00 C ATOM 934 C PRO B 6 -9.049 10.222 0.997 1.00 0.00 C ATOM 935 O PRO B 6 -9.608 11.132 0.384 1.00 0.00 O ATOM 936 CB PRO B 6 -8.371 9.588 3.334 1.00 0.00 C ATOM 937 CG PRO B 6 -9.210 10.369 4.287 1.00 0.00 C ATOM 938 CD PRO B 6 -8.835 11.813 4.100 1.00 0.00 C ATOM 0 HA PRO B 6 -7.102 10.435 1.747 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -8.886 8.685 3.006 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -7.438 9.272 3.800 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -10.270 10.214 4.087 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -9.029 10.051 5.314 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.690 12.472 4.250 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -8.066 12.123 4.808 1.00 0.00 H new ATOM 946 N ALA B 7 -9.217 8.938 0.699 1.00 0.00 N ATOM 947 CA ALA B 7 -10.084 8.514 -0.393 1.00 0.00 C ATOM 948 C ALA B 7 -9.811 9.340 -1.644 1.00 0.00 C ATOM 949 O ALA B 7 -10.724 9.660 -2.404 1.00 0.00 O ATOM 950 CB ALA B 7 -11.546 8.629 0.011 1.00 0.00 C ATOM 0 H ALA B 7 -8.764 8.173 1.199 1.00 0.00 H new ATOM 0 HA ALA B 7 -9.869 7.469 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -12.179 8.308 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -11.735 7.996 0.878 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -11.774 9.665 0.261 1.00 0.00 H new ATOM 956 N VAL B 8 -8.543 9.685 -1.838 1.00 0.00 N ATOM 957 CA VAL B 8 -8.125 10.476 -2.986 1.00 0.00 C ATOM 958 C VAL B 8 -8.072 9.607 -4.242 1.00 0.00 C ATOM 959 O VAL B 8 -7.025 9.460 -4.874 1.00 0.00 O ATOM 960 CB VAL B 8 -6.755 11.140 -2.727 1.00 0.00 C ATOM 961 CG1 VAL B 8 -5.646 10.105 -2.628 1.00 0.00 C ATOM 962 CG2 VAL B 8 -6.441 12.173 -3.799 1.00 0.00 C ATOM 0 H VAL B 8 -7.783 9.426 -1.209 1.00 0.00 H new ATOM 0 HA VAL B 8 -8.860 11.266 -3.142 1.00 0.00 H new ATOM 0 HB VAL B 8 -6.813 11.653 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -4.696 10.606 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -5.859 9.421 -1.807 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -5.587 9.544 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.471 12.626 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -6.416 11.688 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.210 12.945 -3.797 1.00 0.00 H new ATOM 972 N ASP B 9 -9.217 9.013 -4.577 1.00 0.00 N ATOM 973 CA ASP B 9 -9.332 8.129 -5.731 1.00 0.00 C ATOM 974 C ASP B 9 -8.753 6.759 -5.392 1.00 0.00 C ATOM 975 O ASP B 9 -8.904 5.813 -6.159 1.00 0.00 O ATOM 976 CB ASP B 9 -8.620 8.722 -6.956 1.00 0.00 C ATOM 977 CG ASP B 9 -8.888 7.941 -8.229 1.00 0.00 C ATOM 978 OD1 ASP B 9 -9.741 7.030 -8.202 1.00 0.00 O ATOM 979 OD2 ASP B 9 -8.253 8.252 -9.259 1.00 0.00 O ATOM 0 H ASP B 9 -10.086 9.132 -4.057 1.00 0.00 H new ATOM 0 HA ASP B 9 -10.388 8.021 -5.978 1.00 0.00 H new ATOM 0 HB2 ASP B 9 -8.943 9.754 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP B 9 -7.546 8.746 -6.770 1.00 0.00 H new ATOM 984 N ILE B 10 -8.093 6.678 -4.225 1.00 0.00 N ATOM 985 CA ILE B 10 -7.471 5.442 -3.732 1.00 0.00 C ATOM 986 C ILE B 10 -6.240 5.074 -4.561 1.00 0.00 C ATOM 987 O ILE B 10 -5.215 4.671 -4.013 1.00 0.00 O ATOM 988 CB ILE B 10 -8.471 4.261 -3.694 1.00 0.00 C ATOM 989 CG1 ILE B 10 -8.164 3.362 -2.495 1.00 0.00 C ATOM 990 CG2 ILE B 10 -8.442 3.451 -4.982 1.00 0.00 C ATOM 991 CD1 ILE B 10 -8.378 4.043 -1.160 1.00 0.00 C ATOM 0 H ILE B 10 -7.976 7.472 -3.596 1.00 0.00 H new ATOM 0 HA ILE B 10 -7.154 5.637 -2.708 1.00 0.00 H new ATOM 0 HB ILE B 10 -9.474 4.675 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -8.794 2.474 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -7.130 3.024 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -9.158 2.632 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -8.705 4.094 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -7.442 3.046 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -8.142 3.348 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -7.729 4.915 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -9.418 4.357 -1.074 1.00 0.00 H new ATOM 1003 N GLY B 11 -6.336 5.237 -5.879 1.00 0.00 N ATOM 1004 CA GLY B 11 -5.215 4.940 -6.746 1.00 0.00 C ATOM 1005 C GLY B 11 -4.064 5.890 -6.505 1.00 0.00 C ATOM 1006 O GLY B 11 -2.902 5.512 -6.628 1.00 0.00 O ATOM 0 H GLY B 11 -7.172 5.570 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -4.884 3.915 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -5.531 5.006 -7.787 1.00 0.00 H new ATOM 1010 N ASP B 12 -4.397 7.128 -6.153 1.00 0.00 N ATOM 1011 CA ASP B 12 -3.391 8.146 -5.878 1.00 0.00 C ATOM 1012 C ASP B 12 -2.579 7.762 -4.645 1.00 0.00 C ATOM 1013 O ASP B 12 -1.355 7.877 -4.634 1.00 0.00 O ATOM 1014 CB ASP B 12 -4.057 9.507 -5.670 1.00 0.00 C ATOM 1015 CG ASP B 12 -3.053 10.630 -5.490 1.00 0.00 C ATOM 1016 OD1 ASP B 12 -1.837 10.361 -5.573 1.00 0.00 O ATOM 1017 OD2 ASP B 12 -3.485 11.782 -5.272 1.00 0.00 O ATOM 0 H ASP B 12 -5.359 7.450 -6.051 1.00 0.00 H new ATOM 0 HA ASP B 12 -2.719 8.214 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -4.695 9.729 -6.526 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -4.704 9.460 -4.794 1.00 0.00 H new ATOM 1022 N ARG B 13 -3.274 7.289 -3.612 1.00 0.00 N ATOM 1023 CA ARG B 13 -2.623 6.867 -2.376 1.00 0.00 C ATOM 1024 C ARG B 13 -1.612 5.768 -2.675 1.00 0.00 C ATOM 1025 O ARG B 13 -0.463 5.814 -2.235 1.00 0.00 O ATOM 1026 CB ARG B 13 -3.664 6.331 -1.391 1.00 0.00 C ATOM 1027 CG ARG B 13 -4.813 7.285 -1.116 1.00 0.00 C ATOM 1028 CD ARG B 13 -4.457 8.319 -0.059 1.00 0.00 C ATOM 1029 NE ARG B 13 -3.375 9.202 -0.479 1.00 0.00 N ATOM 1030 CZ ARG B 13 -2.929 10.215 0.257 1.00 0.00 C ATOM 1031 NH1 ARG B 13 -3.478 10.473 1.436 1.00 0.00 N ATOM 1032 NH2 ARG B 13 -1.937 10.974 -0.188 1.00 0.00 N ATOM 0 H ARG B 13 -4.289 7.189 -3.608 1.00 0.00 H new ATOM 0 HA ARG B 13 -2.115 7.726 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG B 13 -4.068 5.397 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG B 13 -3.169 6.096 -0.449 1.00 0.00 H new ATOM 0 HG2 ARG B 13 -5.091 7.792 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG B 13 -5.684 6.718 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG B 13 -5.339 8.916 0.171 1.00 0.00 H new ATOM 0 HD3 ARG B 13 -4.169 7.809 0.860 1.00 0.00 H new ATOM 0 HE ARG B 13 -2.938 9.033 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG B 13 -4.244 9.894 1.780 1.00 0.00 H new ATOM 0 HH12 ARG B 13 -3.134 11.251 1.999 1.00 0.00 H new ATOM 0 HH21 ARG B 13 -1.515 10.781 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -1.596 11.751 0.378 1.00 0.00 H new ATOM 1046 N LEU B 14 -2.070 4.780 -3.434 1.00 0.00 N ATOM 1047 CA LEU B 14 -1.251 3.642 -3.826 1.00 0.00 C ATOM 1048 C LEU B 14 -0.105 4.069 -4.734 1.00 0.00 C ATOM 1049 O LEU B 14 1.032 3.630 -4.564 1.00 0.00 O ATOM 1050 CB LEU B 14 -2.126 2.617 -4.542 1.00 0.00 C ATOM 1051 CG LEU B 14 -3.184 1.949 -3.665 1.00 0.00 C ATOM 1052 CD1 LEU B 14 -4.479 1.758 -4.437 1.00 0.00 C ATOM 1053 CD2 LEU B 14 -2.668 0.614 -3.156 1.00 0.00 C ATOM 0 H LEU B 14 -3.023 4.746 -3.796 1.00 0.00 H new ATOM 0 HA LEU B 14 -0.818 3.202 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -2.625 3.108 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.484 1.844 -4.964 1.00 0.00 H new ATOM 0 HG LEU B 14 -3.389 2.597 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.219 1.281 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.854 2.728 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -4.294 1.128 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -3.428 0.144 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.441 -0.035 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -1.764 0.773 -2.569 1.00 0.00 H new ATOM 1065 N ASP B 15 -0.417 4.919 -5.705 1.00 0.00 N ATOM 1066 CA ASP B 15 0.578 5.402 -6.653 1.00 0.00 C ATOM 1067 C ASP B 15 1.708 6.116 -5.923 1.00 0.00 C ATOM 1068 O ASP B 15 2.881 5.824 -6.146 1.00 0.00 O ATOM 1069 CB ASP B 15 -0.072 6.340 -7.671 1.00 0.00 C ATOM 1070 CG ASP B 15 0.873 6.731 -8.790 1.00 0.00 C ATOM 1071 OD1 ASP B 15 1.920 7.344 -8.496 1.00 0.00 O ATOM 1072 OD2 ASP B 15 0.566 6.424 -9.961 1.00 0.00 O ATOM 0 H ASP B 15 -1.355 5.289 -5.856 1.00 0.00 H new ATOM 0 HA ASP B 15 0.996 4.546 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.951 5.856 -8.096 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -0.418 7.239 -7.162 1.00 0.00 H new ATOM 1077 N GLU B 16 1.349 7.042 -5.039 1.00 0.00 N ATOM 1078 CA GLU B 16 2.339 7.782 -4.268 1.00 0.00 C ATOM 1079 C GLU B 16 3.142 6.828 -3.394 1.00 0.00 C ATOM 1080 O GLU B 16 4.360 6.959 -3.271 1.00 0.00 O ATOM 1081 CB GLU B 16 1.663 8.853 -3.409 1.00 0.00 C ATOM 1082 CG GLU B 16 0.913 9.896 -4.223 1.00 0.00 C ATOM 1083 CD GLU B 16 0.289 10.977 -3.361 1.00 0.00 C ATOM 1084 OE1 GLU B 16 0.473 10.933 -2.127 1.00 0.00 O ATOM 1085 OE2 GLU B 16 -0.380 11.870 -3.920 1.00 0.00 O ATOM 0 H GLU B 16 0.382 7.297 -4.840 1.00 0.00 H new ATOM 0 HA GLU B 16 3.018 8.279 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU B 16 0.968 8.371 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.419 9.351 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU B 16 1.598 10.356 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU B 16 0.132 9.405 -4.803 1.00 0.00 H new ATOM 1092 N LEU B 17 2.452 5.856 -2.804 1.00 0.00 N ATOM 1093 CA LEU B 17 3.099 4.859 -1.961 1.00 0.00 C ATOM 1094 C LEU B 17 4.121 4.079 -2.783 1.00 0.00 C ATOM 1095 O LEU B 17 5.191 3.724 -2.292 1.00 0.00 O ATOM 1096 CB LEU B 17 2.055 3.907 -1.363 1.00 0.00 C ATOM 1097 CG LEU B 17 2.593 2.835 -0.405 1.00 0.00 C ATOM 1098 CD1 LEU B 17 3.740 3.361 0.443 1.00 0.00 C ATOM 1099 CD2 LEU B 17 1.473 2.317 0.483 1.00 0.00 C ATOM 0 H LEU B 17 1.443 5.739 -2.895 1.00 0.00 H new ATOM 0 HA LEU B 17 3.611 5.363 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.312 4.502 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.537 3.408 -2.181 1.00 0.00 H new ATOM 0 HG LEU B 17 2.981 2.015 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.093 2.572 1.108 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.556 3.680 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.395 4.208 1.036 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.866 1.557 1.158 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.059 3.141 1.065 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.689 1.881 -0.137 1.00 0.00 H new ATOM 1111 N GLU B 18 3.780 3.828 -4.048 1.00 0.00 N ATOM 1112 CA GLU B 18 4.662 3.100 -4.955 1.00 0.00 C ATOM 1113 C GLU B 18 5.885 3.940 -5.289 1.00 0.00 C ATOM 1114 O GLU B 18 7.022 3.508 -5.096 1.00 0.00 O ATOM 1115 CB GLU B 18 3.929 2.749 -6.250 1.00 0.00 C ATOM 1116 CG GLU B 18 4.589 1.625 -7.029 1.00 0.00 C ATOM 1117 CD GLU B 18 3.967 1.413 -8.395 1.00 0.00 C ATOM 1118 OE1 GLU B 18 4.030 2.342 -9.227 1.00 0.00 O ATOM 1119 OE2 GLU B 18 3.412 0.320 -8.631 1.00 0.00 O ATOM 0 H GLU B 18 2.897 4.120 -4.466 1.00 0.00 H new ATOM 0 HA GLU B 18 4.974 2.182 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU B 18 2.904 2.464 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU B 18 3.876 3.636 -6.881 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.650 1.846 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU B 18 4.518 0.701 -6.455 1.00 0.00 H new ATOM 1126 N LYS B 19 5.635 5.150 -5.783 1.00 0.00 N ATOM 1127 CA LYS B 19 6.705 6.070 -6.138 1.00 0.00 C ATOM 1128 C LYS B 19 7.630 6.248 -4.948 1.00 0.00 C ATOM 1129 O LYS B 19 8.842 6.400 -5.095 1.00 0.00 O ATOM 1130 CB LYS B 19 6.125 7.424 -6.552 1.00 0.00 C ATOM 1131 CG LYS B 19 5.067 7.323 -7.640 1.00 0.00 C ATOM 1132 CD LYS B 19 4.503 8.687 -8.004 1.00 0.00 C ATOM 1133 CE LYS B 19 5.554 9.576 -8.645 1.00 0.00 C ATOM 1134 NZ LYS B 19 4.995 10.899 -9.040 1.00 0.00 N ATOM 0 H LYS B 19 4.696 5.514 -5.946 1.00 0.00 H new ATOM 0 HA LYS B 19 7.265 5.660 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS B 19 5.690 7.907 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS B 19 6.934 8.066 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS B 19 5.500 6.860 -8.527 1.00 0.00 H new ATOM 0 HG3 LYS B 19 4.259 6.673 -7.303 1.00 0.00 H new ATOM 0 HD2 LYS B 19 3.664 8.563 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS B 19 4.114 9.171 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS B 19 6.379 9.724 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS B 19 5.964 9.078 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 5.743 11.477 -9.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 4.224 10.760 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 4.626 11.386 -8.198 1.00 0.00 H new ATOM 1148 N ALA B 20 7.032 6.219 -3.765 1.00 0.00 N ATOM 1149 CA ALA B 20 7.770 6.367 -2.528 1.00 0.00 C ATOM 1150 C ALA B 20 8.668 5.162 -2.277 1.00 0.00 C ATOM 1151 O ALA B 20 9.853 5.321 -1.989 1.00 0.00 O ATOM 1152 CB ALA B 20 6.806 6.575 -1.375 1.00 0.00 C ATOM 0 H ALA B 20 6.028 6.093 -3.641 1.00 0.00 H new ATOM 0 HA ALA B 20 8.414 7.243 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA B 20 7.367 6.686 -0.447 1.00 0.00 H new ATOM 0 HB2 ALA B 20 6.216 7.474 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA B 20 6.141 5.715 -1.297 1.00 0.00 H new ATOM 1158 N LEU B 21 8.111 3.954 -2.395 1.00 0.00 N ATOM 1159 CA LEU B 21 8.902 2.745 -2.181 1.00 0.00 C ATOM 1160 C LEU B 21 10.091 2.730 -3.121 1.00 0.00 C ATOM 1161 O LEU B 21 11.185 2.336 -2.733 1.00 0.00 O ATOM 1162 CB LEU B 21 8.091 1.465 -2.396 1.00 0.00 C ATOM 1163 CG LEU B 21 6.845 1.274 -1.527 1.00 0.00 C ATOM 1164 CD1 LEU B 21 6.740 -0.173 -1.087 1.00 0.00 C ATOM 1165 CD2 LEU B 21 6.863 2.179 -0.310 1.00 0.00 C ATOM 0 H LEU B 21 7.133 3.790 -2.633 1.00 0.00 H new ATOM 0 HA LEU B 21 9.231 2.766 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.783 1.431 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.752 0.614 -2.231 1.00 0.00 H new ATOM 0 HG LEU B 21 5.977 1.541 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.851 -0.302 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.668 -0.816 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.625 -0.443 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.962 2.013 0.280 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.741 1.955 0.297 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.900 3.220 -0.631 1.00 0.00 H new ATOM 1177 N GLU B 22 9.873 3.167 -4.360 1.00 0.00 N ATOM 1178 CA GLU B 22 10.942 3.208 -5.347 1.00 0.00 C ATOM 1179 C GLU B 22 12.183 3.830 -4.726 1.00 0.00 C ATOM 1180 O GLU B 22 13.311 3.437 -5.024 1.00 0.00 O ATOM 1181 CB GLU B 22 10.507 3.999 -6.583 1.00 0.00 C ATOM 1182 CG GLU B 22 9.314 3.392 -7.305 1.00 0.00 C ATOM 1183 CD GLU B 22 8.940 4.155 -8.561 1.00 0.00 C ATOM 1184 OE1 GLU B 22 8.627 5.359 -8.454 1.00 0.00 O ATOM 1185 OE2 GLU B 22 8.959 3.547 -9.652 1.00 0.00 O ATOM 0 H GLU B 22 8.969 3.496 -4.700 1.00 0.00 H new ATOM 0 HA GLU B 22 11.172 2.190 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU B 22 10.260 5.018 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU B 22 11.346 4.064 -7.276 1.00 0.00 H new ATOM 0 HG2 GLU B 22 9.540 2.358 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU B 22 8.459 3.370 -6.630 1.00 0.00 H new ATOM 1192 N ALA B 23 11.955 4.792 -3.837 1.00 0.00 N ATOM 1193 CA ALA B 23 13.037 5.464 -3.138 1.00 0.00 C ATOM 1194 C ALA B 23 13.607 4.568 -2.041 1.00 0.00 C ATOM 1195 O ALA B 23 14.820 4.453 -1.896 1.00 0.00 O ATOM 1196 CB ALA B 23 12.551 6.781 -2.553 1.00 0.00 C ATOM 0 H ALA B 23 11.024 5.123 -3.585 1.00 0.00 H new ATOM 0 HA ALA B 23 13.832 5.675 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA B 23 13.373 7.273 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA B 23 12.192 7.425 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.739 6.590 -1.851 1.00 0.00 H new ATOM 1202 N LEU B 24 12.717 3.932 -1.273 1.00 0.00 N ATOM 1203 CA LEU B 24 13.127 3.037 -0.186 1.00 0.00 C ATOM 1204 C LEU B 24 13.283 1.607 -0.684 1.00 0.00 C ATOM 1205 O LEU B 24 13.377 0.686 0.121 1.00 0.00 O ATOM 1206 CB LEU B 24 12.089 3.019 0.948 1.00 0.00 C ATOM 1207 CG LEU B 24 11.768 4.357 1.608 1.00 0.00 C ATOM 1208 CD1 LEU B 24 13.023 5.003 2.168 1.00 0.00 C ATOM 1209 CD2 LEU B 24 11.076 5.271 0.622 1.00 0.00 C ATOM 0 H LEU B 24 11.707 4.020 -1.384 1.00 0.00 H new ATOM 0 HA LEU B 24 14.079 3.418 0.184 1.00 0.00 H new ATOM 0 HB2 LEU B 24 11.162 2.604 0.553 1.00 0.00 H new ATOM 0 HB3 LEU B 24 12.441 2.335 1.720 1.00 0.00 H new ATOM 0 HG LEU B 24 11.092 4.178 2.444 1.00 0.00 H new ATOM 0 HD11 LEU B 24 12.766 5.955 2.633 1.00 0.00 H new ATOM 0 HD12 LEU B 24 13.470 4.345 2.913 1.00 0.00 H new ATOM 0 HD13 LEU B 24 13.735 5.174 1.361 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.852 6.223 1.104 1.00 0.00 H new ATOM 0 HD22 LEU B 24 11.728 5.443 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU B 24 10.149 4.807 0.285 1.00 0.00 H new ATOM 1221 N SER B 25 13.271 1.421 -1.998 1.00 0.00 N ATOM 1222 CA SER B 25 13.367 0.087 -2.584 1.00 0.00 C ATOM 1223 C SER B 25 14.522 -0.712 -1.991 1.00 0.00 C ATOM 1224 O SER B 25 15.605 -0.792 -2.571 1.00 0.00 O ATOM 1225 CB SER B 25 13.502 0.176 -4.102 1.00 0.00 C ATOM 1226 OG SER B 25 14.722 0.792 -4.479 1.00 0.00 O ATOM 0 H SER B 25 13.196 2.176 -2.679 1.00 0.00 H new ATOM 0 HA SER B 25 12.445 -0.442 -2.343 1.00 0.00 H new ATOM 0 HB2 SER B 25 13.450 -0.824 -4.532 1.00 0.00 H new ATOM 0 HB3 SER B 25 12.665 0.743 -4.510 1.00 0.00 H new ATOM 0 HG SER B 25 15.464 0.372 -3.996 1.00 0.00 H new ATOM 1232 N ALA B 26 14.268 -1.306 -0.828 1.00 0.00 N ATOM 1233 CA ALA B 26 15.261 -2.111 -0.133 1.00 0.00 C ATOM 1234 C ALA B 26 16.584 -1.361 0.004 1.00 0.00 C ATOM 1235 O ALA B 26 17.659 -1.936 -0.170 1.00 0.00 O ATOM 1236 CB ALA B 26 15.459 -3.423 -0.871 1.00 0.00 C ATOM 0 H ALA B 26 13.372 -1.242 -0.345 1.00 0.00 H new ATOM 0 HA ALA B 26 14.899 -2.319 0.874 1.00 0.00 H new ATOM 0 HB1 ALA B 26 16.203 -4.025 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA B 26 14.514 -3.966 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.802 -3.221 -1.886 1.00 0.00 H new ATOM 1242 N GLU B 27 16.494 -0.070 0.309 1.00 0.00 N ATOM 1243 CA GLU B 27 17.675 0.773 0.464 1.00 0.00 C ATOM 1244 C GLU B 27 18.461 0.430 1.725 1.00 0.00 C ATOM 1245 O GLU B 27 19.692 0.464 1.722 1.00 0.00 O ATOM 1246 CB GLU B 27 17.272 2.246 0.493 1.00 0.00 C ATOM 1247 CG GLU B 27 16.758 2.758 -0.839 1.00 0.00 C ATOM 1248 CD GLU B 27 17.819 2.734 -1.921 1.00 0.00 C ATOM 1249 OE1 GLU B 27 18.857 3.406 -1.749 1.00 0.00 O ATOM 1250 OE2 GLU B 27 17.611 2.044 -2.942 1.00 0.00 O ATOM 0 H GLU B 27 15.610 0.417 0.454 1.00 0.00 H new ATOM 0 HA GLU B 27 18.321 0.585 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU B 27 16.501 2.389 1.250 1.00 0.00 H new ATOM 0 HB3 GLU B 27 18.131 2.844 0.796 1.00 0.00 H new ATOM 0 HG2 GLU B 27 15.909 2.151 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU B 27 16.393 3.778 -0.716 1.00 0.00 H new ATOM 1257 N ASP B 28 17.753 0.122 2.805 1.00 0.00 N ATOM 1258 CA ASP B 28 18.405 -0.201 4.068 1.00 0.00 C ATOM 1259 C ASP B 28 17.522 -1.093 4.936 1.00 0.00 C ATOM 1260 O ASP B 28 17.206 -0.752 6.077 1.00 0.00 O ATOM 1261 CB ASP B 28 18.749 1.086 4.821 1.00 0.00 C ATOM 1262 CG ASP B 28 19.546 0.828 6.084 1.00 0.00 C ATOM 1263 OD1 ASP B 28 20.674 0.306 5.979 1.00 0.00 O ATOM 1264 OD2 ASP B 28 19.040 1.145 7.181 1.00 0.00 O ATOM 0 H ASP B 28 16.734 0.089 2.832 1.00 0.00 H new ATOM 0 HA ASP B 28 19.321 -0.748 3.846 1.00 0.00 H new ATOM 0 HB2 ASP B 28 19.318 1.745 4.165 1.00 0.00 H new ATOM 0 HB3 ASP B 28 17.828 1.609 5.078 1.00 0.00 H new ATOM 1269 N GLY B 29 17.123 -2.236 4.388 1.00 0.00 N ATOM 1270 CA GLY B 29 16.279 -3.154 5.130 1.00 0.00 C ATOM 1271 C GLY B 29 14.952 -2.532 5.507 1.00 0.00 C ATOM 1272 O GLY B 29 14.527 -2.603 6.660 1.00 0.00 O ATOM 0 H GLY B 29 17.368 -2.542 3.446 1.00 0.00 H new ATOM 0 HA2 GLY B 29 16.103 -4.048 4.531 1.00 0.00 H new ATOM 0 HA3 GLY B 29 16.799 -3.473 6.033 1.00 0.00 H new ATOM 1276 N HIS B 30 14.300 -1.915 4.527 1.00 0.00 N ATOM 1277 CA HIS B 30 13.012 -1.267 4.742 1.00 0.00 C ATOM 1278 C HIS B 30 11.885 -2.288 4.881 1.00 0.00 C ATOM 1279 O HIS B 30 10.760 -2.042 4.452 1.00 0.00 O ATOM 1280 CB HIS B 30 12.727 -0.301 3.589 1.00 0.00 C ATOM 1281 CG HIS B 30 13.535 0.953 3.661 1.00 0.00 C ATOM 1282 ND1 HIS B 30 14.377 1.517 2.764 1.00 0.00 N flip ATOM 1283 CD2 HIS B 30 13.537 1.785 4.762 1.00 0.00 C flip ATOM 1284 CE1 HIS B 30 14.869 2.666 3.334 1.00 0.00 C flip ATOM 1285 NE2 HIS B 30 14.346 2.805 4.538 1.00 0.00 N flip ATOM 0 H HIS B 30 14.646 -1.850 3.570 1.00 0.00 H new ATOM 0 HA HIS B 30 13.059 -0.710 5.678 1.00 0.00 H new ATOM 0 HB2 HIS B 30 12.931 -0.803 2.643 1.00 0.00 H new ATOM 0 HB3 HIS B 30 11.668 -0.044 3.592 1.00 0.00 H new ATOM 0 HD1 HIS B 30 14.604 1.156 1.837 1.00 0.00 H new ATOM 0 HD2 HIS B 30 12.967 1.627 5.665 1.00 0.00 H new ATOM 0 HE1 HIS B 30 15.570 3.345 2.872 1.00 0.00 H new ATOM 1294 N ASP B 31 12.185 -3.427 5.502 1.00 0.00 N ATOM 1295 CA ASP B 31 11.187 -4.471 5.705 1.00 0.00 C ATOM 1296 C ASP B 31 9.923 -3.894 6.332 1.00 0.00 C ATOM 1297 O ASP B 31 8.825 -4.415 6.134 1.00 0.00 O ATOM 1298 CB ASP B 31 11.752 -5.593 6.582 1.00 0.00 C ATOM 1299 CG ASP B 31 12.258 -5.097 7.924 1.00 0.00 C ATOM 1300 OD1 ASP B 31 12.210 -3.873 8.166 1.00 0.00 O ATOM 1301 OD2 ASP B 31 12.709 -5.936 8.733 1.00 0.00 O ATOM 0 H ASP B 31 13.109 -3.649 5.872 1.00 0.00 H new ATOM 0 HA ASP B 31 10.929 -4.888 4.732 1.00 0.00 H new ATOM 0 HB2 ASP B 31 10.979 -6.343 6.746 1.00 0.00 H new ATOM 0 HB3 ASP B 31 12.567 -6.086 6.052 1.00 0.00 H new ATOM 1306 N ASP B 32 10.086 -2.807 7.083 1.00 0.00 N ATOM 1307 CA ASP B 32 8.959 -2.151 7.731 1.00 0.00 C ATOM 1308 C ASP B 32 7.909 -1.750 6.701 1.00 0.00 C ATOM 1309 O ASP B 32 6.711 -1.922 6.925 1.00 0.00 O ATOM 1310 CB ASP B 32 9.429 -0.920 8.507 1.00 0.00 C ATOM 1311 CG ASP B 32 10.442 -1.266 9.581 1.00 0.00 C ATOM 1312 OD1 ASP B 32 10.119 -2.096 10.456 1.00 0.00 O ATOM 1313 OD2 ASP B 32 11.557 -0.705 9.550 1.00 0.00 O ATOM 0 H ASP B 32 10.988 -2.364 7.256 1.00 0.00 H new ATOM 0 HA ASP B 32 8.511 -2.856 8.431 1.00 0.00 H new ATOM 0 HB2 ASP B 32 9.869 -0.203 7.814 1.00 0.00 H new ATOM 0 HB3 ASP B 32 8.569 -0.433 8.966 1.00 0.00 H new ATOM 1318 N VAL B 33 8.365 -1.223 5.565 1.00 0.00 N ATOM 1319 CA VAL B 33 7.456 -0.813 4.503 1.00 0.00 C ATOM 1320 C VAL B 33 6.621 -2.001 4.044 1.00 0.00 C ATOM 1321 O VAL B 33 5.447 -1.856 3.710 1.00 0.00 O ATOM 1322 CB VAL B 33 8.198 -0.208 3.298 1.00 0.00 C ATOM 1323 CG1 VAL B 33 7.205 0.430 2.343 1.00 0.00 C ATOM 1324 CG2 VAL B 33 9.225 0.814 3.760 1.00 0.00 C ATOM 0 H VAL B 33 9.353 -1.072 5.360 1.00 0.00 H new ATOM 0 HA VAL B 33 6.809 -0.038 4.915 1.00 0.00 H new ATOM 0 HB VAL B 33 8.724 -1.007 2.775 1.00 0.00 H new ATOM 0 HG11 VAL B 33 7.739 0.855 1.493 1.00 0.00 H new ATOM 0 HG12 VAL B 33 6.504 -0.326 1.989 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.658 1.219 2.860 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.739 1.230 2.894 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.723 1.614 4.303 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.950 0.331 4.415 1.00 0.00 H new ATOM 1334 N GLY B 34 7.238 -3.179 4.049 1.00 0.00 N ATOM 1335 CA GLY B 34 6.540 -4.387 3.651 1.00 0.00 C ATOM 1336 C GLY B 34 5.460 -4.766 4.638 1.00 0.00 C ATOM 1337 O GLY B 34 4.362 -5.157 4.248 1.00 0.00 O ATOM 0 H GLY B 34 8.211 -3.318 4.322 1.00 0.00 H new ATOM 0 HA2 GLY B 34 6.097 -4.242 2.666 1.00 0.00 H new ATOM 0 HA3 GLY B 34 7.254 -5.206 3.562 1.00 0.00 H new ATOM 1341 N GLN B 35 5.772 -4.639 5.925 1.00 0.00 N ATOM 1342 CA GLN B 35 4.817 -4.959 6.977 1.00 0.00 C ATOM 1343 C GLN B 35 3.596 -4.056 6.876 1.00 0.00 C ATOM 1344 O GLN B 35 2.461 -4.515 6.986 1.00 0.00 O ATOM 1345 CB GLN B 35 5.470 -4.814 8.353 1.00 0.00 C ATOM 1346 CG GLN B 35 6.615 -5.785 8.591 1.00 0.00 C ATOM 1347 CD GLN B 35 6.168 -7.235 8.573 1.00 0.00 C ATOM 1348 OE1 GLN B 35 5.668 -7.732 7.564 1.00 0.00 O ATOM 1349 NE2 GLN B 35 6.344 -7.922 9.696 1.00 0.00 N ATOM 0 H GLN B 35 6.679 -4.317 6.262 1.00 0.00 H new ATOM 0 HA GLN B 35 4.498 -5.993 6.851 1.00 0.00 H new ATOM 0 HB2 GLN B 35 5.840 -3.795 8.464 1.00 0.00 H new ATOM 0 HB3 GLN B 35 4.713 -4.963 9.122 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.378 -5.635 7.827 1.00 0.00 H new ATOM 0 HG3 GLN B 35 7.079 -5.564 9.552 1.00 0.00 H new ATOM 0 HE21 GLN B 35 6.763 -7.471 10.509 1.00 0.00 H new ATOM 0 HE22 GLN B 35 6.061 -8.901 9.745 1.00 0.00 H new ATOM 1358 N ARG B 36 3.841 -2.767 6.654 1.00 0.00 N ATOM 1359 CA ARG B 36 2.762 -1.796 6.521 1.00 0.00 C ATOM 1360 C ARG B 36 1.955 -2.078 5.261 1.00 0.00 C ATOM 1361 O ARG B 36 0.730 -2.163 5.300 1.00 0.00 O ATOM 1362 CB ARG B 36 3.331 -0.377 6.461 1.00 0.00 C ATOM 1363 CG ARG B 36 4.160 0.004 7.675 1.00 0.00 C ATOM 1364 CD ARG B 36 3.315 0.041 8.936 1.00 0.00 C ATOM 1365 NE ARG B 36 4.114 0.329 10.122 1.00 0.00 N ATOM 1366 CZ ARG B 36 3.608 0.420 11.348 1.00 0.00 C ATOM 1367 NH1 ARG B 36 2.308 0.251 11.547 1.00 0.00 N ATOM 1368 NH2 ARG B 36 4.403 0.681 12.377 1.00 0.00 N ATOM 0 H ARG B 36 4.777 -2.372 6.563 1.00 0.00 H new ATOM 0 HA ARG B 36 2.110 -1.881 7.390 1.00 0.00 H new ATOM 0 HB2 ARG B 36 3.947 -0.280 5.567 1.00 0.00 H new ATOM 0 HB3 ARG B 36 2.508 0.330 6.358 1.00 0.00 H new ATOM 0 HG2 ARG B 36 4.973 -0.711 7.801 1.00 0.00 H new ATOM 0 HG3 ARG B 36 4.617 0.980 7.513 1.00 0.00 H new ATOM 0 HD2 ARG B 36 2.538 0.798 8.830 1.00 0.00 H new ATOM 0 HD3 ARG B 36 2.811 -0.917 9.063 1.00 0.00 H new ATOM 0 HE ARG B 36 5.118 0.468 10.004 1.00 0.00 H new ATOM 0 HH11 ARG B 36 1.693 0.051 10.758 1.00 0.00 H new ATOM 0 HH12 ARG B 36 1.923 0.321 12.489 1.00 0.00 H new ATOM 0 HH21 ARG B 36 5.404 0.812 12.228 1.00 0.00 H new ATOM 0 HH22 ARG B 36 4.014 0.751 13.317 1.00 0.00 H new ATOM 1382 N LEU B 37 2.665 -2.228 4.148 1.00 0.00 N ATOM 1383 CA LEU B 37 2.044 -2.509 2.861 1.00 0.00 C ATOM 1384 C LEU B 37 1.189 -3.766 2.956 1.00 0.00 C ATOM 1385 O LEU B 37 0.092 -3.834 2.402 1.00 0.00 O ATOM 1386 CB LEU B 37 3.132 -2.696 1.801 1.00 0.00 C ATOM 1387 CG LEU B 37 2.861 -2.061 0.433 1.00 0.00 C ATOM 1388 CD1 LEU B 37 4.023 -2.364 -0.508 1.00 0.00 C ATOM 1389 CD2 LEU B 37 1.537 -2.550 -0.154 1.00 0.00 C ATOM 0 H LEU B 37 3.682 -2.158 4.113 1.00 0.00 H new ATOM 0 HA LEU B 37 1.405 -1.672 2.580 1.00 0.00 H new ATOM 0 HB2 LEU B 37 4.064 -2.286 2.190 1.00 0.00 H new ATOM 0 HB3 LEU B 37 3.290 -3.765 1.657 1.00 0.00 H new ATOM 0 HG LEU B 37 2.777 -0.981 0.558 1.00 0.00 H new ATOM 0 HD11 LEU B 37 3.830 -1.912 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU B 37 4.944 -1.953 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU B 37 4.126 -3.443 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.374 -2.081 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.571 -3.633 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU B 37 0.721 -2.285 0.518 1.00 0.00 H new ATOM 1401 N GLU B 38 1.708 -4.758 3.673 1.00 0.00 N ATOM 1402 CA GLU B 38 1.012 -6.021 3.862 1.00 0.00 C ATOM 1403 C GLU B 38 -0.190 -5.837 4.779 1.00 0.00 C ATOM 1404 O GLU B 38 -1.247 -6.419 4.553 1.00 0.00 O ATOM 1405 CB GLU B 38 1.957 -7.068 4.450 1.00 0.00 C ATOM 1406 CG GLU B 38 1.968 -8.379 3.681 1.00 0.00 C ATOM 1407 CD GLU B 38 2.674 -9.492 4.430 1.00 0.00 C ATOM 1408 OE1 GLU B 38 3.180 -9.234 5.542 1.00 0.00 O ATOM 1409 OE2 GLU B 38 2.722 -10.625 3.902 1.00 0.00 O ATOM 0 H GLU B 38 2.616 -4.708 4.135 1.00 0.00 H new ATOM 0 HA GLU B 38 0.663 -6.366 2.889 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.968 -6.661 4.472 1.00 0.00 H new ATOM 0 HB3 GLU B 38 1.670 -7.265 5.483 1.00 0.00 H new ATOM 0 HG2 GLU B 38 0.942 -8.681 3.472 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.457 -8.227 2.719 1.00 0.00 H new ATOM 1416 N SER B 39 -0.015 -5.025 5.818 1.00 0.00 N ATOM 1417 CA SER B 39 -1.085 -4.760 6.772 1.00 0.00 C ATOM 1418 C SER B 39 -2.263 -4.084 6.083 1.00 0.00 C ATOM 1419 O SER B 39 -3.418 -4.427 6.328 1.00 0.00 O ATOM 1420 CB SER B 39 -0.576 -3.884 7.917 1.00 0.00 C ATOM 1421 OG SER B 39 0.447 -4.538 8.647 1.00 0.00 O ATOM 0 H SER B 39 0.859 -4.539 6.020 1.00 0.00 H new ATOM 0 HA SER B 39 -1.420 -5.713 7.181 1.00 0.00 H new ATOM 0 HB2 SER B 39 -0.197 -2.943 7.518 1.00 0.00 H new ATOM 0 HB3 SER B 39 -1.402 -3.637 8.584 1.00 0.00 H new ATOM 0 HG SER B 39 1.203 -4.726 8.053 1.00 0.00 H new ATOM 1427 N LEU B 40 -1.960 -3.122 5.216 1.00 0.00 N ATOM 1428 CA LEU B 40 -2.994 -2.400 4.487 1.00 0.00 C ATOM 1429 C LEU B 40 -3.819 -3.357 3.643 1.00 0.00 C ATOM 1430 O LEU B 40 -5.047 -3.308 3.646 1.00 0.00 O ATOM 1431 CB LEU B 40 -2.370 -1.346 3.567 1.00 0.00 C ATOM 1432 CG LEU B 40 -1.401 -0.369 4.233 1.00 0.00 C ATOM 1433 CD1 LEU B 40 -0.930 0.666 3.223 1.00 0.00 C ATOM 1434 CD2 LEU B 40 -2.052 0.309 5.425 1.00 0.00 C ATOM 0 H LEU B 40 -1.008 -2.826 5.002 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.636 -1.911 5.220 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.843 -1.860 2.763 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.174 -0.773 3.105 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.538 -0.928 4.594 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.240 1.358 3.706 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -0.423 0.165 2.398 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.789 1.218 2.840 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.343 0.999 5.883 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.933 0.859 5.094 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.348 -0.444 6.155 1.00 0.00 H new ATOM 1446 N LEU B 41 -3.122 -4.211 2.905 1.00 0.00 N ATOM 1447 CA LEU B 41 -3.759 -5.177 2.023 1.00 0.00 C ATOM 1448 C LEU B 41 -4.448 -6.293 2.809 1.00 0.00 C ATOM 1449 O LEU B 41 -5.528 -6.740 2.436 1.00 0.00 O ATOM 1450 CB LEU B 41 -2.717 -5.749 1.061 1.00 0.00 C ATOM 1451 CG LEU B 41 -3.265 -6.525 -0.137 1.00 0.00 C ATOM 1452 CD1 LEU B 41 -4.459 -5.812 -0.751 1.00 0.00 C ATOM 1453 CD2 LEU B 41 -2.175 -6.693 -1.181 1.00 0.00 C ATOM 0 H LEU B 41 -2.103 -4.253 2.901 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.535 -4.666 1.453 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.106 -4.927 0.688 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -2.055 -6.408 1.623 1.00 0.00 H new ATOM 0 HG LEU B 41 -3.594 -7.504 0.211 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -4.828 -6.386 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -5.249 -5.718 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.157 -4.820 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -2.570 -7.247 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -1.834 -5.712 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -1.338 -7.241 -0.748 1.00 0.00 H new ATOM 1465 N ARG B 42 -3.826 -6.736 3.898 1.00 0.00 N ATOM 1466 CA ARG B 42 -4.406 -7.790 4.726 1.00 0.00 C ATOM 1467 C ARG B 42 -5.753 -7.338 5.274 1.00 0.00 C ATOM 1468 O ARG B 42 -6.740 -8.071 5.215 1.00 0.00 O ATOM 1469 CB ARG B 42 -3.463 -8.159 5.875 1.00 0.00 C ATOM 1470 CG ARG B 42 -4.000 -9.258 6.784 1.00 0.00 C ATOM 1471 CD ARG B 42 -4.225 -10.559 6.028 1.00 0.00 C ATOM 1472 NE ARG B 42 -4.727 -11.620 6.900 1.00 0.00 N ATOM 1473 CZ ARG B 42 -5.017 -12.848 6.478 1.00 0.00 C ATOM 1474 NH1 ARG B 42 -4.861 -13.169 5.201 1.00 0.00 N ATOM 1475 NH2 ARG B 42 -5.465 -13.757 7.334 1.00 0.00 N ATOM 0 H ARG B 42 -2.926 -6.385 4.226 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.552 -8.676 4.107 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -2.507 -8.479 5.460 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.269 -7.269 6.473 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.298 -9.429 7.600 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.938 -8.932 7.233 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.934 -10.389 5.218 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -3.289 -10.879 5.570 1.00 0.00 H new ATOM 0 HE ARG B 42 -4.863 -11.407 7.888 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -4.518 -12.474 4.539 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -5.084 -14.111 4.881 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -5.588 -13.515 8.317 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -5.687 -14.698 7.009 1.00 0.00 H new ATOM 1489 N ARG B 43 -5.787 -6.110 5.785 1.00 0.00 N ATOM 1490 CA ARG B 43 -7.015 -5.539 6.320 1.00 0.00 C ATOM 1491 C ARG B 43 -7.964 -5.202 5.176 1.00 0.00 C ATOM 1492 O ARG B 43 -9.177 -5.378 5.282 1.00 0.00 O ATOM 1493 CB ARG B 43 -6.708 -4.281 7.139 1.00 0.00 C ATOM 1494 CG ARG B 43 -5.720 -4.510 8.273 1.00 0.00 C ATOM 1495 CD ARG B 43 -6.231 -5.540 9.269 1.00 0.00 C ATOM 1496 NE ARG B 43 -5.298 -5.740 10.375 1.00 0.00 N ATOM 1497 CZ ARG B 43 -5.504 -6.600 11.368 1.00 0.00 C ATOM 1498 NH1 ARG B 43 -6.604 -7.342 11.390 1.00 0.00 N ATOM 1499 NH2 ARG B 43 -4.611 -6.719 12.340 1.00 0.00 N ATOM 0 H ARG B 43 -4.977 -5.493 5.839 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.488 -6.270 6.976 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.311 -3.514 6.474 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.638 -3.893 7.554 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.767 -4.843 7.863 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.533 -3.568 8.788 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -7.195 -5.218 9.662 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -6.396 -6.488 8.758 1.00 0.00 H new ATOM 0 HE ARG B 43 -4.440 -5.189 10.386 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -7.294 -7.253 10.644 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -6.760 -8.001 12.153 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.764 -6.150 12.327 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -4.770 -7.379 13.101 1.00 0.00 H new ATOM 1513 N TRP B 44 -7.386 -4.725 4.077 1.00 0.00 N ATOM 1514 CA TRP B 44 -8.147 -4.364 2.886 1.00 0.00 C ATOM 1515 C TRP B 44 -8.953 -5.558 2.376 1.00 0.00 C ATOM 1516 O TRP B 44 -10.161 -5.462 2.164 1.00 0.00 O ATOM 1517 CB TRP B 44 -7.190 -3.883 1.796 1.00 0.00 C ATOM 1518 CG TRP B 44 -7.865 -3.549 0.505 1.00 0.00 C ATOM 1519 CD1 TRP B 44 -7.514 -3.997 -0.734 1.00 0.00 C ATOM 1520 CD2 TRP B 44 -8.994 -2.689 0.317 1.00 0.00 C ATOM 1521 NE1 TRP B 44 -8.359 -3.478 -1.680 1.00 0.00 N ATOM 1522 CE2 TRP B 44 -9.274 -2.672 -1.061 1.00 0.00 C ATOM 1523 CE3 TRP B 44 -9.801 -1.933 1.175 1.00 0.00 C ATOM 1524 CZ2 TRP B 44 -10.318 -1.933 -1.598 1.00 0.00 C ATOM 1525 CZ3 TRP B 44 -10.839 -1.198 0.630 1.00 0.00 C ATOM 1526 CH2 TRP B 44 -11.087 -1.204 -0.742 1.00 0.00 C ATOM 0 H TRP B 44 -6.381 -4.578 3.988 1.00 0.00 H new ATOM 0 HA TRP B 44 -8.842 -3.565 3.144 1.00 0.00 H new ATOM 0 HB2 TRP B 44 -6.658 -3.002 2.156 1.00 0.00 H new ATOM 0 HB3 TRP B 44 -6.442 -4.655 1.615 1.00 0.00 H new ATOM 0 HD1 TRP B 44 -6.690 -4.664 -0.940 1.00 0.00 H new ATOM 0 HE1 TRP B 44 -8.313 -3.663 -2.682 1.00 0.00 H new ATOM 0 HE3 TRP B 44 -9.618 -1.924 2.239 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 -10.515 -1.936 -2.660 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 -11.469 -0.609 1.280 1.00 0.00 H new ATOM 0 HH2 TRP B 44 -11.906 -0.619 -1.134 1.00 0.00 H new ATOM 1537 N ASN B 45 -8.268 -6.684 2.189 1.00 0.00 N ATOM 1538 CA ASN B 45 -8.905 -7.907 1.711 1.00 0.00 C ATOM 1539 C ASN B 45 -9.864 -8.463 2.755 1.00 0.00 C ATOM 1540 O ASN B 45 -10.940 -8.958 2.421 1.00 0.00 O ATOM 1541 CB ASN B 45 -7.850 -8.958 1.356 1.00 0.00 C ATOM 1542 CG ASN B 45 -6.984 -8.540 0.183 1.00 0.00 C ATOM 1543 OD1 ASN B 45 -5.677 -8.471 0.407 1.00 0.00 O flip ATOM 1544 ND2 ASN B 45 -7.483 -8.286 -0.912 1.00 0.00 N flip ATOM 0 H ASN B 45 -7.267 -6.774 2.363 1.00 0.00 H new ATOM 0 HA ASN B 45 -9.474 -7.662 0.814 1.00 0.00 H new ATOM 0 HB2 ASN B 45 -7.217 -9.140 2.224 1.00 0.00 H new ATOM 0 HB3 ASN B 45 -8.345 -9.900 1.120 1.00 0.00 H new ATOM 0 HD21 ASN B 45 -8.493 -8.352 -1.040 1.00 0.00 H new ATOM 0 HD22 ASN B 45 -6.887 -8.010 -1.692 1.00 0.00 H new ATOM 1551 N SER B 46 -9.468 -8.378 4.022 1.00 0.00 N ATOM 1552 CA SER B 46 -10.300 -8.871 5.114 1.00 0.00 C ATOM 1553 C SER B 46 -11.691 -8.253 5.037 1.00 0.00 C ATOM 1554 O SER B 46 -12.699 -8.939 5.206 1.00 0.00 O ATOM 1555 CB SER B 46 -9.656 -8.549 6.463 1.00 0.00 C ATOM 1556 OG SER B 46 -10.451 -9.022 7.535 1.00 0.00 O ATOM 0 H SER B 46 -8.579 -7.974 4.317 1.00 0.00 H new ATOM 0 HA SER B 46 -10.389 -9.953 5.020 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.666 -9.002 6.514 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.519 -7.472 6.556 1.00 0.00 H new ATOM 0 HG SER B 46 -10.016 -8.805 8.386 1.00 0.00 H new ATOM 1562 N ARG B 47 -11.733 -6.953 4.765 1.00 0.00 N ATOM 1563 CA ARG B 47 -12.993 -6.233 4.646 1.00 0.00 C ATOM 1564 C ARG B 47 -13.807 -6.780 3.478 1.00 0.00 C ATOM 1565 O ARG B 47 -15.033 -6.869 3.548 1.00 0.00 O ATOM 1566 CB ARG B 47 -12.734 -4.738 4.454 1.00 0.00 C ATOM 1567 CG ARG B 47 -11.968 -4.104 5.603 1.00 0.00 C ATOM 1568 CD ARG B 47 -11.657 -2.641 5.328 1.00 0.00 C ATOM 1569 NE ARG B 47 -10.908 -2.025 6.420 1.00 0.00 N ATOM 1570 CZ ARG B 47 -11.386 -1.872 7.653 1.00 0.00 C ATOM 1571 NH1 ARG B 47 -12.615 -2.271 7.947 1.00 0.00 N ATOM 1572 NH2 ARG B 47 -10.633 -1.315 8.591 1.00 0.00 N ATOM 0 H ARG B 47 -10.904 -6.376 4.622 1.00 0.00 H new ATOM 0 HA ARG B 47 -13.562 -6.374 5.565 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -12.176 -4.590 3.530 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -13.688 -4.224 4.336 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -12.552 -4.186 6.520 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.039 -4.650 5.767 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.084 -2.560 4.404 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.588 -2.095 5.174 1.00 0.00 H new ATOM 0 HE ARG B 47 -9.963 -1.693 6.227 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -13.199 -2.697 7.227 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -12.977 -2.152 8.893 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -9.688 -1.004 8.368 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.999 -1.198 9.536 1.00 0.00 H new ATOM 1586 N ARG B 48 -13.110 -7.148 2.405 1.00 0.00 N ATOM 1587 CA ARG B 48 -13.757 -7.693 1.217 1.00 0.00 C ATOM 1588 C ARG B 48 -14.616 -8.898 1.578 1.00 0.00 C ATOM 1589 O ARG B 48 -15.776 -8.991 1.174 1.00 0.00 O ATOM 1590 CB ARG B 48 -12.706 -8.101 0.181 1.00 0.00 C ATOM 1591 CG ARG B 48 -11.794 -6.962 -0.248 1.00 0.00 C ATOM 1592 CD ARG B 48 -12.572 -5.854 -0.936 1.00 0.00 C ATOM 1593 NE ARG B 48 -13.255 -6.334 -2.134 1.00 0.00 N ATOM 1594 CZ ARG B 48 -14.027 -5.568 -2.898 1.00 0.00 C ATOM 1595 NH1 ARG B 48 -14.218 -4.293 -2.588 1.00 0.00 N ATOM 1596 NH2 ARG B 48 -14.611 -6.080 -3.973 1.00 0.00 N ATOM 0 H ARG B 48 -12.095 -7.078 2.335 1.00 0.00 H new ATOM 0 HA ARG B 48 -14.397 -6.920 0.793 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -12.097 -8.906 0.592 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -13.212 -8.500 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -11.279 -6.559 0.624 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.028 -7.343 -0.923 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -13.303 -5.439 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -11.892 -5.045 -1.205 1.00 0.00 H new ATOM 0 HE ARG B 48 -13.133 -7.311 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -13.772 -3.897 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -14.811 -3.708 -3.177 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -14.468 -7.061 -4.213 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -15.204 -5.493 -4.560 1.00 0.00 H new ATOM 1610 N ALA B 49 -14.040 -9.813 2.349 1.00 0.00 N ATOM 1611 CA ALA B 49 -14.750 -11.011 2.775 1.00 0.00 C ATOM 1612 C ALA B 49 -15.957 -10.651 3.632 1.00 0.00 C ATOM 1613 O ALA B 49 -17.034 -11.227 3.480 1.00 0.00 O ATOM 1614 CB ALA B 49 -13.813 -11.936 3.540 1.00 0.00 C ATOM 0 H ALA B 49 -13.082 -9.747 2.692 1.00 0.00 H new ATOM 0 HA ALA B 49 -15.107 -11.531 1.886 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -14.357 -12.827 3.852 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -12.982 -12.225 2.897 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -13.429 -11.419 4.419 1.00 0.00 H new ATOM 1620 N ASP B 50 -15.766 -9.690 4.533 1.00 0.00 N ATOM 1621 CA ASP B 50 -16.834 -9.244 5.421 1.00 0.00 C ATOM 1622 C ASP B 50 -17.409 -10.424 6.200 1.00 0.00 C ATOM 1623 O ASP B 50 -18.625 -10.576 6.316 1.00 0.00 O ATOM 1624 CB ASP B 50 -17.937 -8.549 4.615 1.00 0.00 C ATOM 1625 CG ASP B 50 -18.987 -7.901 5.498 1.00 0.00 C ATOM 1626 OD1 ASP B 50 -18.843 -7.957 6.737 1.00 0.00 O ATOM 1627 OD2 ASP B 50 -19.954 -7.332 4.948 1.00 0.00 O ATOM 0 H ASP B 50 -14.879 -9.205 4.667 1.00 0.00 H new ATOM 0 HA ASP B 50 -16.419 -8.531 6.133 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -17.489 -7.790 3.973 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -18.417 -9.277 3.961 1.00 0.00 H new ATOM 1632 N ALA B 51 -16.518 -11.259 6.728 1.00 0.00 N ATOM 1633 CA ALA B 51 -16.923 -12.432 7.495 1.00 0.00 C ATOM 1634 C ALA B 51 -15.715 -13.109 8.143 1.00 0.00 C ATOM 1635 O ALA B 51 -15.442 -14.283 7.888 1.00 0.00 O ATOM 1636 CB ALA B 51 -17.665 -13.416 6.601 1.00 0.00 C ATOM 0 H ALA B 51 -15.509 -11.144 6.638 1.00 0.00 H new ATOM 0 HA ALA B 51 -17.592 -12.103 8.290 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -17.962 -14.287 7.186 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -18.553 -12.936 6.190 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -17.013 -13.731 5.787 1.00 0.00 H new ATOM 1642 N PRO B 52 -14.971 -12.375 8.992 1.00 0.00 N ATOM 1643 CA PRO B 52 -13.787 -12.913 9.674 1.00 0.00 C ATOM 1644 C PRO B 52 -14.138 -14.029 10.657 1.00 0.00 C ATOM 1645 O PRO B 52 -14.919 -14.926 10.337 1.00 0.00 O ATOM 1646 CB PRO B 52 -13.213 -11.697 10.411 1.00 0.00 C ATOM 1647 CG PRO B 52 -14.365 -10.768 10.570 1.00 0.00 C ATOM 1648 CD PRO B 52 -15.223 -10.968 9.354 1.00 0.00 C ATOM 0 HA PRO B 52 -13.085 -13.368 8.975 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -12.798 -11.981 11.378 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -12.407 -11.234 9.842 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -14.921 -10.987 11.481 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -14.027 -9.735 10.644 1.00 0.00 H new ATOM 0 HD2 PRO B 52 -16.276 -10.790 9.571 1.00 0.00 H new ATOM 0 HD3 PRO B 52 -14.944 -10.289 8.548 1.00 0.00 H new ATOM 1656 N SER B 53 -13.557 -13.971 11.854 1.00 0.00 N ATOM 1657 CA SER B 53 -13.811 -14.980 12.877 1.00 0.00 C ATOM 1658 C SER B 53 -13.249 -14.538 14.225 1.00 0.00 C ATOM 1659 O SER B 53 -12.506 -15.275 14.873 1.00 0.00 O ATOM 1660 CB SER B 53 -13.194 -16.319 12.465 1.00 0.00 C ATOM 1661 OG SER B 53 -13.448 -17.320 13.437 1.00 0.00 O ATOM 0 H SER B 53 -12.908 -13.237 12.138 1.00 0.00 H new ATOM 0 HA SER B 53 -14.890 -15.101 12.976 1.00 0.00 H new ATOM 0 HB2 SER B 53 -13.602 -16.630 11.503 1.00 0.00 H new ATOM 0 HB3 SER B 53 -12.119 -16.202 12.332 1.00 0.00 H new ATOM 0 HG SER B 53 -13.079 -17.039 14.300 1.00 0.00 H new ATOM 1667 N THR B 54 -13.609 -13.327 14.638 1.00 0.00 N ATOM 1668 CA THR B 54 -13.142 -12.781 15.907 1.00 0.00 C ATOM 1669 C THR B 54 -13.922 -11.525 16.285 1.00 0.00 C ATOM 1670 O THR B 54 -14.256 -11.319 17.452 1.00 0.00 O ATOM 1671 CB THR B 54 -11.639 -12.448 15.859 1.00 0.00 C ATOM 1672 OG1 THR B 54 -11.223 -11.871 17.103 1.00 0.00 O ATOM 1673 CG2 THR B 54 -11.328 -11.487 14.720 1.00 0.00 C ATOM 0 H THR B 54 -14.223 -12.705 14.112 1.00 0.00 H new ATOM 0 HA THR B 54 -13.309 -13.549 16.662 1.00 0.00 H new ATOM 0 HB THR B 54 -11.093 -13.376 15.688 1.00 0.00 H new ATOM 0 HG1 THR B 54 -10.266 -11.664 17.064 1.00 0.00 H new ATOM 0 HG21 THR B 54 -10.260 -11.269 14.709 1.00 0.00 H new ATOM 0 HG22 THR B 54 -11.615 -11.942 13.772 1.00 0.00 H new ATOM 0 HG23 THR B 54 -11.886 -10.561 14.862 1.00 0.00 H new ATOM 1681 N SER B 55 -14.210 -10.689 15.292 1.00 0.00 N ATOM 1682 CA SER B 55 -14.951 -9.454 15.520 1.00 0.00 C ATOM 1683 C SER B 55 -16.326 -9.748 16.114 1.00 0.00 C ATOM 1684 O SER B 55 -16.766 -9.075 17.046 1.00 0.00 O ATOM 1685 CB SER B 55 -15.104 -8.677 14.211 1.00 0.00 C ATOM 1686 OG SER B 55 -13.840 -8.339 13.667 1.00 0.00 O ATOM 0 H SER B 55 -13.941 -10.845 14.321 1.00 0.00 H new ATOM 0 HA SER B 55 -14.389 -8.848 16.230 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.664 -9.276 13.493 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.681 -7.770 14.389 1.00 0.00 H new ATOM 0 HG SER B 55 -13.966 -7.845 12.830 1.00 0.00 H new ATOM 1692 N ALA B 56 -16.996 -10.757 15.567 1.00 0.00 N ATOM 1693 CA ALA B 56 -18.320 -11.144 16.041 1.00 0.00 C ATOM 1694 C ALA B 56 -18.279 -11.550 17.510 1.00 0.00 C ATOM 1695 O ALA B 56 -17.361 -12.245 17.946 1.00 0.00 O ATOM 1696 CB ALA B 56 -18.872 -12.278 15.193 1.00 0.00 C ATOM 0 H ALA B 56 -16.643 -11.322 14.794 1.00 0.00 H new ATOM 0 HA ALA B 56 -18.980 -10.281 15.948 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -19.861 -12.557 15.558 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -18.946 -11.953 14.155 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -18.206 -13.138 15.257 1.00 0.00 H new ATOM 1702 N ILE B 57 -19.280 -11.112 18.269 1.00 0.00 N ATOM 1703 CA ILE B 57 -19.359 -11.429 19.690 1.00 0.00 C ATOM 1704 C ILE B 57 -19.359 -12.937 19.926 1.00 0.00 C ATOM 1705 O ILE B 57 -19.873 -13.705 19.113 1.00 0.00 O ATOM 1706 CB ILE B 57 -20.605 -10.791 20.345 1.00 0.00 C ATOM 1707 CG1 ILE B 57 -21.871 -11.065 19.524 1.00 0.00 C ATOM 1708 CG2 ILE B 57 -20.399 -9.293 20.515 1.00 0.00 C ATOM 1709 CD1 ILE B 57 -22.398 -12.478 19.649 1.00 0.00 C ATOM 0 H ILE B 57 -20.047 -10.536 17.923 1.00 0.00 H new ATOM 0 HA ILE B 57 -18.470 -11.006 20.158 1.00 0.00 H new ATOM 0 HB ILE B 57 -20.739 -11.246 21.326 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -22.650 -10.370 19.836 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -21.661 -10.859 18.474 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -21.283 -8.854 20.977 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -19.531 -9.115 21.150 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -20.235 -8.835 19.539 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -23.294 -12.588 19.038 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -21.638 -13.181 19.308 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -22.642 -12.684 20.691 1.00 0.00 H new ATOM 1721 N SER B 58 -18.765 -13.353 21.041 1.00 0.00 N ATOM 1722 CA SER B 58 -18.684 -14.769 21.386 1.00 0.00 C ATOM 1723 C SER B 58 -20.069 -15.323 21.733 1.00 0.00 C ATOM 1724 O SER B 58 -21.052 -15.011 21.062 1.00 0.00 O ATOM 1725 CB SER B 58 -17.715 -14.964 22.556 1.00 0.00 C ATOM 1726 OG SER B 58 -17.464 -16.337 22.792 1.00 0.00 O ATOM 0 H SER B 58 -18.332 -12.729 21.722 1.00 0.00 H new ATOM 0 HA SER B 58 -18.310 -15.320 20.523 1.00 0.00 H new ATOM 0 HB2 SER B 58 -16.777 -14.452 22.343 1.00 0.00 H new ATOM 0 HB3 SER B 58 -18.130 -14.508 23.455 1.00 0.00 H new ATOM 0 HG SER B 58 -16.841 -16.431 23.543 1.00 0.00 H new ATOM 1732 N GLU B 59 -20.142 -16.141 22.783 1.00 0.00 N ATOM 1733 CA GLU B 59 -21.409 -16.730 23.210 1.00 0.00 C ATOM 1734 C GLU B 59 -21.397 -17.011 24.710 1.00 0.00 C ATOM 1735 O GLU B 59 -21.818 -18.079 25.156 1.00 0.00 O ATOM 1736 CB GLU B 59 -21.684 -18.031 22.447 1.00 0.00 C ATOM 1737 CG GLU B 59 -21.851 -17.843 20.947 1.00 0.00 C ATOM 1738 CD GLU B 59 -22.125 -19.147 20.221 1.00 0.00 C ATOM 1739 OE1 GLU B 59 -22.183 -20.201 20.890 1.00 0.00 O ATOM 1740 OE2 GLU B 59 -22.279 -19.114 18.981 1.00 0.00 O ATOM 0 H GLU B 59 -19.339 -16.410 23.352 1.00 0.00 H new ATOM 0 HA GLU B 59 -22.201 -16.014 22.990 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -20.864 -18.726 22.627 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -22.587 -18.492 22.848 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -22.671 -17.149 20.761 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -20.949 -17.387 20.539 1.00 0.00 H new ATOM 1747 N ASP B 60 -20.910 -16.046 25.484 1.00 0.00 N ATOM 1748 CA ASP B 60 -20.842 -16.188 26.934 1.00 0.00 C ATOM 1749 C ASP B 60 -22.235 -16.363 27.530 1.00 0.00 C ATOM 1750 O ASP B 60 -22.517 -17.456 28.064 1.00 0.00 O ATOM 1751 CB ASP B 60 -20.158 -14.969 27.556 1.00 0.00 C ATOM 1752 CG ASP B 60 -20.057 -15.071 29.066 1.00 0.00 C ATOM 1753 OD1 ASP B 60 -19.423 -16.029 29.556 1.00 0.00 O ATOM 1754 OD2 ASP B 60 -20.611 -14.190 29.758 1.00 0.00 O ATOM 1755 OXT ASP B 60 -23.033 -15.404 27.458 1.00 0.00 O ATOM 0 H ASP B 60 -20.556 -15.157 25.131 1.00 0.00 H new ATOM 0 HA ASP B 60 -20.256 -17.079 27.159 1.00 0.00 H new ATOM 0 HB2 ASP B 60 -19.159 -14.862 27.134 1.00 0.00 H new ATOM 0 HB3 ASP B 60 -20.714 -14.069 27.292 1.00 0.00 H new TER 1760 ASP B 60