USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 19 HIS HE2 : A 19 HIS NE2 : A 90 HEMFE :(H bumps) USER MOD Set 1.1: A 79 TYR OH : rot -36:sc= 0.968 USER MOD Set 1.2: A 83 GLN : amide:sc= 0.803 K(o=1.8,f=-0.8) USER MOD Set 2.1: A 53 GLN : amide:sc= 1.32 K(o=3.2,f=-9.4!) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -174:sc= 1.92 (180deg=0.619) USER MOD Set 3.1: A 31 THR OG1 : rot -129:sc= 0.717 USER MOD Set 3.2: A 33 GLN : amide:sc= 1.72 K(o=4.3,f=-0.094) USER MOD Set 3.3: A 87 ASN : amide:sc= 1.91 K(o=4.3,f=1.5) USER MOD Single : A 1 GLU N :NH3+ -174:sc= 1.95 (180deg=1.3) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0.86 (180deg=0.0778!) USER MOD Single : A 14 ASN : amide:sc= 1.03 K(o=1,f=0.37) USER MOD Single : A 24 ASN : amide:sc= -0.828 K(o=-0.83,f=-5.7!) USER MOD Single : A 25 ASN : amide:sc= 0.625 K(o=0.62,f=-0.028) USER MOD Single : A 30 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-5.8) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= 0.842 (180deg=-0.629!) USER MOD Single : A 39 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.062) USER MOD Single : A 46 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.741 K(o=0.74,f=-0.2) USER MOD Single : A 61 MET CE :methyl -175:sc=-0.000873 (180deg=-0.0617) USER MOD Single : A 81 TYR OH : rot 162:sc= 1.19 USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= 0.988 (180deg=-1.49!) USER MOD Single : A 90 HEM CMA :methyl 150:sc= -0.269 (180deg=-0.269) USER MOD Single : A 90 HEM CMB :methyl 150:sc= -0.687 (180deg=-0.687) USER MOD Single : A 90 HEM CMC :methyl -30:sc= -0.876 (180deg=-1.13) USER MOD Single : A 90 HEM CMD :methyl -30:sc= -0.369 (180deg=-2.86) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.249 -15.746 -5.140 1.00 0.00 N ATOM 2 CA GLU A 1 4.664 -16.162 -3.859 1.00 0.00 C ATOM 3 C GLU A 1 3.770 -15.088 -3.228 1.00 0.00 C ATOM 4 O GLU A 1 2.934 -15.432 -2.397 1.00 0.00 O ATOM 5 CB GLU A 1 5.746 -16.615 -2.862 1.00 0.00 C ATOM 6 CG GLU A 1 6.893 -17.419 -3.498 1.00 0.00 C ATOM 7 CD GLU A 1 6.400 -18.528 -4.416 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.111 -18.165 -5.579 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.276 -19.672 -3.936 1.00 0.00 O ATOM 0 H1 GLU A 1 5.758 -16.547 -5.565 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.492 -15.436 -5.783 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.911 -14.960 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 1 4.024 -17.014 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 1 6.163 -15.736 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.278 -17.222 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.533 -16.743 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 1 7.507 -17.853 -2.709 1.00 0.00 H new ATOM 10 N ALA A 2 3.951 -13.805 -3.572 1.00 0.00 N ATOM 11 CA ALA A 2 3.267 -12.690 -2.922 1.00 0.00 C ATOM 12 C ALA A 2 3.541 -12.717 -1.415 1.00 0.00 C ATOM 13 O ALA A 2 2.639 -12.544 -0.595 1.00 0.00 O ATOM 14 CB ALA A 2 1.770 -12.694 -3.254 1.00 0.00 C ATOM 0 H ALA A 2 4.584 -13.515 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 2 3.662 -11.750 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.285 -11.854 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.636 -12.605 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.323 -13.626 -2.909 1.00 0.00 H new ATOM 15 N ASP A 3 4.806 -12.960 -1.063 1.00 0.00 N ATOM 16 CA ASP A 3 5.246 -13.109 0.314 1.00 0.00 C ATOM 17 C ASP A 3 5.224 -11.761 1.048 1.00 0.00 C ATOM 18 O ASP A 3 5.359 -10.693 0.450 1.00 0.00 O ATOM 19 CB ASP A 3 6.614 -13.811 0.339 1.00 0.00 C ATOM 20 CG ASP A 3 7.413 -13.529 1.603 1.00 0.00 C ATOM 21 OD1 ASP A 3 6.853 -13.658 2.715 1.00 0.00 O ATOM 22 OD2 ASP A 3 8.560 -13.072 1.437 1.00 0.00 O ATOM 0 H ASP A 3 5.560 -13.059 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 3 4.552 -13.745 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.464 -14.887 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.194 -13.493 -0.527 1.00 0.00 H new ATOM 23 N LEU A 4 5.053 -11.842 2.365 1.00 0.00 N ATOM 24 CA LEU A 4 4.995 -10.719 3.275 1.00 0.00 C ATOM 25 C LEU A 4 6.395 -10.154 3.507 1.00 0.00 C ATOM 26 O LEU A 4 6.538 -8.942 3.629 1.00 0.00 O ATOM 27 CB LEU A 4 4.358 -11.149 4.602 1.00 0.00 C ATOM 28 CG LEU A 4 3.000 -11.855 4.450 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.388 -12.019 5.843 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.010 -11.089 3.561 1.00 0.00 C ATOM 0 H LEU A 4 4.947 -12.738 2.841 1.00 0.00 H new ATOM 0 HA LEU A 4 4.378 -9.937 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.045 -11.816 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.229 -10.269 5.232 1.00 0.00 H new ATOM 0 HG LEU A 4 3.182 -12.814 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.423 -12.518 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.054 -12.618 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.251 -11.038 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.074 -11.644 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.821 -10.105 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.432 -10.973 2.563 1.00 0.00 H new ATOM 31 N ALA A 5 7.430 -10.998 3.576 1.00 0.00 N ATOM 32 CA ALA A 5 8.796 -10.511 3.761 1.00 0.00 C ATOM 33 C ALA A 5 9.295 -9.833 2.483 1.00 0.00 C ATOM 34 O ALA A 5 9.844 -8.737 2.548 1.00 0.00 O ATOM 35 CB ALA A 5 9.721 -11.643 4.218 1.00 0.00 C ATOM 0 H ALA A 5 7.347 -12.012 3.507 1.00 0.00 H new ATOM 0 HA ALA A 5 8.801 -9.761 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.732 -11.257 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.362 -12.047 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.729 -12.432 3.466 1.00 0.00 H new ATOM 36 N LEU A 6 9.063 -10.445 1.319 1.00 0.00 N ATOM 37 CA LEU A 6 9.220 -9.825 0.018 1.00 0.00 C ATOM 38 C LEU A 6 8.482 -8.484 0.022 1.00 0.00 C ATOM 39 O LEU A 6 9.085 -7.434 -0.199 1.00 0.00 O ATOM 40 CB LEU A 6 8.665 -10.803 -1.031 1.00 0.00 C ATOM 41 CG LEU A 6 8.565 -10.210 -2.440 1.00 0.00 C ATOM 42 CD1 LEU A 6 9.948 -9.939 -3.042 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.774 -11.155 -3.353 1.00 0.00 C ATOM 0 H LEU A 6 8.752 -11.415 1.263 1.00 0.00 H new ATOM 0 HA LEU A 6 10.263 -9.619 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.303 -11.686 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.676 -11.136 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 6 8.043 -9.256 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.834 -9.519 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.487 -9.233 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.508 -10.872 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.708 -10.725 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.280 -12.119 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.770 -11.294 -2.951 1.00 0.00 H new ATOM 44 N GLY A 7 7.178 -8.520 0.305 1.00 0.00 N ATOM 45 CA GLY A 7 6.355 -7.329 0.406 1.00 0.00 C ATOM 46 C GLY A 7 6.998 -6.269 1.298 1.00 0.00 C ATOM 47 O GLY A 7 7.068 -5.103 0.921 1.00 0.00 O ATOM 0 H GLY A 7 6.667 -9.387 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.190 -6.916 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.377 -7.596 0.806 1.00 0.00 H new ATOM 48 N LYS A 8 7.499 -6.657 2.470 1.00 0.00 N ATOM 49 CA LYS A 8 8.191 -5.749 3.355 1.00 0.00 C ATOM 50 C LYS A 8 9.413 -5.150 2.663 1.00 0.00 C ATOM 51 O LYS A 8 9.554 -3.936 2.616 1.00 0.00 O ATOM 52 CB LYS A 8 8.568 -6.451 4.664 1.00 0.00 C ATOM 53 CG LYS A 8 9.238 -5.405 5.550 1.00 0.00 C ATOM 54 CD LYS A 8 9.517 -5.906 6.968 1.00 0.00 C ATOM 55 CE LYS A 8 9.726 -4.750 7.963 1.00 0.00 C ATOM 56 NZ LYS A 8 10.410 -3.573 7.378 1.00 0.00 N ATOM 0 H LYS A 8 7.432 -7.611 2.824 1.00 0.00 H new ATOM 0 HA LYS A 8 7.520 -4.928 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.683 -6.861 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.243 -7.286 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.176 -5.096 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.602 -4.521 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.685 -6.525 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.403 -6.540 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.757 -4.439 8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.308 -5.113 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.637 -2.893 8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.288 -3.878 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.786 -3.120 6.680 1.00 0.00 H new ATOM 57 N ALA A 9 10.312 -5.989 2.157 1.00 0.00 N ATOM 58 CA ALA A 9 11.517 -5.549 1.463 1.00 0.00 C ATOM 59 C ALA A 9 11.185 -4.498 0.398 1.00 0.00 C ATOM 60 O ALA A 9 11.837 -3.456 0.321 1.00 0.00 O ATOM 61 CB ALA A 9 12.241 -6.753 0.851 1.00 0.00 C ATOM 0 H ALA A 9 10.223 -7.003 2.218 1.00 0.00 H new ATOM 0 HA ALA A 9 12.184 -5.079 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.139 -6.414 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.518 -7.451 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.581 -7.252 0.141 1.00 0.00 H new ATOM 62 N VAL A 10 10.148 -4.750 -0.405 1.00 0.00 N ATOM 63 CA VAL A 10 9.650 -3.777 -1.359 1.00 0.00 C ATOM 64 C VAL A 10 9.220 -2.508 -0.622 1.00 0.00 C ATOM 65 O VAL A 10 9.700 -1.422 -0.947 1.00 0.00 O ATOM 66 CB VAL A 10 8.492 -4.394 -2.157 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.897 -3.385 -3.140 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.947 -5.619 -2.952 1.00 0.00 C ATOM 0 H VAL A 10 9.637 -5.633 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 10 10.436 -3.502 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 10 7.739 -4.690 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.080 -3.851 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.519 -2.522 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.667 -3.061 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.101 -6.029 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.731 -5.328 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.334 -6.374 -2.267 1.00 0.00 H new ATOM 69 N PHE A 11 8.317 -2.650 0.349 1.00 0.00 N ATOM 70 CA PHE A 11 7.739 -1.561 1.125 1.00 0.00 C ATOM 71 C PHE A 11 8.814 -0.611 1.645 1.00 0.00 C ATOM 72 O PHE A 11 8.830 0.579 1.321 1.00 0.00 O ATOM 73 CB PHE A 11 6.909 -2.139 2.277 1.00 0.00 C ATOM 74 CG PHE A 11 6.116 -1.098 3.028 1.00 0.00 C ATOM 75 CD1 PHE A 11 4.914 -0.630 2.476 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.656 -0.480 4.173 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.284 0.494 3.025 1.00 0.00 C ATOM 78 CE2 PHE A 11 5.995 0.616 4.752 1.00 0.00 C ATOM 79 CZ PHE A 11 4.814 1.109 4.172 1.00 0.00 C ATOM 0 H PHE A 11 7.957 -3.564 0.624 1.00 0.00 H new ATOM 0 HA PHE A 11 7.088 -0.977 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.225 -2.890 1.881 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.574 -2.650 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.475 -1.136 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.575 -0.848 4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.390 0.889 2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.394 1.079 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.313 1.961 4.608 1.00 0.00 H new ATOM 80 N ASP A 12 9.724 -1.175 2.436 1.00 0.00 N ATOM 81 CA ASP A 12 10.877 -0.538 3.031 1.00 0.00 C ATOM 82 C ASP A 12 11.637 0.308 2.003 1.00 0.00 C ATOM 83 O ASP A 12 12.095 1.401 2.330 1.00 0.00 O ATOM 84 CB ASP A 12 11.783 -1.636 3.608 1.00 0.00 C ATOM 85 CG ASP A 12 11.238 -2.368 4.832 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.060 -2.180 5.217 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.005 -3.147 5.443 1.00 0.00 O ATOM 0 H ASP A 12 9.662 -2.161 2.691 1.00 0.00 H new ATOM 0 HA ASP A 12 10.554 0.138 3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.977 -2.369 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.742 -1.189 3.872 1.00 0.00 H new ATOM 88 N GLY A 13 11.794 -0.190 0.771 1.00 0.00 N ATOM 89 CA GLY A 13 12.569 0.495 -0.249 1.00 0.00 C ATOM 90 C GLY A 13 11.743 1.562 -0.965 1.00 0.00 C ATOM 91 O GLY A 13 12.237 2.650 -1.246 1.00 0.00 O ATOM 0 H GLY A 13 11.387 -1.073 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.444 0.958 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.935 -0.230 -0.976 1.00 0.00 H new ATOM 92 N ASN A 14 10.503 1.219 -1.322 1.00 0.00 N ATOM 93 CA ASN A 14 9.740 1.917 -2.350 1.00 0.00 C ATOM 94 C ASN A 14 8.668 2.828 -1.761 1.00 0.00 C ATOM 95 O ASN A 14 8.360 3.876 -2.328 1.00 0.00 O ATOM 96 CB ASN A 14 9.064 0.905 -3.286 1.00 0.00 C ATOM 97 CG ASN A 14 10.067 0.135 -4.136 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.335 0.503 -5.275 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.626 -0.941 -3.591 1.00 0.00 N ATOM 0 H ASN A 14 9.998 0.440 -0.899 1.00 0.00 H new ATOM 0 HA ASN A 14 10.449 2.535 -2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.479 0.201 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.366 1.429 -3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.301 -1.490 -4.123 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.379 -1.218 -2.641 1.00 0.00 H new ATOM 100 N CYS A 15 8.043 2.383 -0.672 1.00 0.00 N ATOM 101 CA CYS A 15 6.772 2.902 -0.187 1.00 0.00 C ATOM 102 C CYS A 15 7.019 3.742 1.064 1.00 0.00 C ATOM 103 O CYS A 15 6.488 4.846 1.203 1.00 0.00 O ATOM 104 CB CYS A 15 5.845 1.749 0.111 1.00 0.00 C ATOM 105 SG CYS A 15 5.706 0.526 -1.233 1.00 0.00 S ATOM 0 H CYS A 15 8.418 1.633 -0.091 1.00 0.00 H new ATOM 0 HA CYS A 15 6.307 3.533 -0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.193 1.243 1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.853 2.144 0.330 1.00 0.00 H new ATOM 106 N ALA A 16 7.872 3.229 1.960 1.00 0.00 N ATOM 107 CA ALA A 16 8.264 3.884 3.203 1.00 0.00 C ATOM 108 C ALA A 16 8.674 5.345 2.993 1.00 0.00 C ATOM 109 O ALA A 16 8.450 6.176 3.869 1.00 0.00 O ATOM 110 CB ALA A 16 9.395 3.098 3.866 1.00 0.00 C ATOM 0 H ALA A 16 8.318 2.321 1.831 1.00 0.00 H new ATOM 0 HA ALA A 16 7.393 3.895 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.685 3.591 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.056 2.085 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.252 3.057 3.194 1.00 0.00 H new ATOM 111 N ALA A 17 9.246 5.656 1.824 1.00 0.00 N ATOM 112 CA ALA A 17 9.531 7.014 1.375 1.00 0.00 C ATOM 113 C ALA A 17 8.412 7.996 1.743 1.00 0.00 C ATOM 114 O ALA A 17 8.692 9.088 2.234 1.00 0.00 O ATOM 115 CB ALA A 17 9.744 7.004 -0.142 1.00 0.00 C ATOM 0 H ALA A 17 9.530 4.946 1.149 1.00 0.00 H new ATOM 0 HA ALA A 17 10.433 7.355 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.958 8.016 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.583 6.353 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.843 6.636 -0.633 1.00 0.00 H new ATOM 116 N CYS A 18 7.157 7.610 1.490 1.00 0.00 N ATOM 117 CA CYS A 18 5.981 8.416 1.802 1.00 0.00 C ATOM 118 C CYS A 18 5.225 7.843 3.004 1.00 0.00 C ATOM 119 O CYS A 18 4.551 8.598 3.707 1.00 0.00 O ATOM 120 CB CYS A 18 5.081 8.505 0.595 1.00 0.00 C ATOM 121 SG CYS A 18 5.907 9.411 -0.747 1.00 0.00 S ATOM 0 H CYS A 18 6.931 6.715 1.056 1.00 0.00 H new ATOM 0 HA CYS A 18 6.311 9.421 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.816 7.503 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.151 9.007 0.863 1.00 0.00 H new ATOM 122 N HIS A 19 5.315 6.524 3.221 1.00 0.00 N ATOM 123 CA HIS A 19 4.515 5.777 4.184 1.00 0.00 C ATOM 124 C HIS A 19 5.354 5.127 5.289 1.00 0.00 C ATOM 125 O HIS A 19 4.998 4.050 5.757 1.00 0.00 O ATOM 126 CB HIS A 19 3.746 4.695 3.419 1.00 0.00 C ATOM 127 CG HIS A 19 2.797 5.241 2.391 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.613 5.872 2.677 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.811 4.972 1.047 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.929 5.971 1.532 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.603 5.438 0.512 1.00 0.00 N ATOM 0 H HIS A 19 5.971 5.933 2.710 1.00 0.00 H new ATOM 0 HA HIS A 19 3.842 6.476 4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.459 4.034 2.927 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.187 4.088 4.131 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.310 6.204 3.593 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.608 4.489 0.500 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.047 6.426 1.444 1.00 0.00 H new ATOM 132 N ALA A 20 6.458 5.737 5.730 1.00 0.00 N ATOM 133 CA ALA A 20 7.254 5.227 6.846 1.00 0.00 C ATOM 134 C ALA A 20 6.351 4.774 8.003 1.00 0.00 C ATOM 135 O ALA A 20 5.572 5.568 8.522 1.00 0.00 O ATOM 136 CB ALA A 20 8.235 6.306 7.313 1.00 0.00 C ATOM 0 H ALA A 20 6.823 6.598 5.322 1.00 0.00 H new ATOM 0 HA ALA A 20 7.817 4.357 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.827 5.924 8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.897 6.577 6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.680 7.187 7.637 1.00 0.00 H new ATOM 137 N GLY A 21 6.392 3.486 8.362 1.00 0.00 N ATOM 138 CA GLY A 21 5.504 2.909 9.369 1.00 0.00 C ATOM 139 C GLY A 21 4.023 3.076 9.005 1.00 0.00 C ATOM 140 O GLY A 21 3.204 3.423 9.850 1.00 0.00 O ATOM 0 H GLY A 21 7.046 2.815 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.730 1.849 9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.695 3.382 10.332 1.00 0.00 H new ATOM 141 N GLY A 22 3.678 2.872 7.731 1.00 0.00 N ATOM 142 CA GLY A 22 2.342 3.117 7.199 1.00 0.00 C ATOM 143 C GLY A 22 1.976 4.603 7.199 1.00 0.00 C ATOM 144 O GLY A 22 0.830 4.959 6.915 1.00 0.00 O ATOM 0 H GLY A 22 4.334 2.526 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.283 2.731 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.612 2.566 7.791 1.00 0.00 H new ATOM 145 N GLY A 23 2.936 5.469 7.533 1.00 0.00 N ATOM 146 CA GLY A 23 2.692 6.832 7.946 1.00 0.00 C ATOM 147 C GLY A 23 2.719 7.758 6.754 1.00 0.00 C ATOM 148 O GLY A 23 3.758 8.331 6.439 1.00 0.00 O ATOM 0 H GLY A 23 3.926 5.224 7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.725 6.900 8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.446 7.140 8.670 1.00 0.00 H new ATOM 149 N ASN A 24 1.566 7.895 6.100 1.00 0.00 N ATOM 150 CA ASN A 24 1.315 8.875 5.066 1.00 0.00 C ATOM 151 C ASN A 24 1.886 10.238 5.456 1.00 0.00 C ATOM 152 O ASN A 24 1.292 10.953 6.253 1.00 0.00 O ATOM 153 CB ASN A 24 -0.201 8.968 4.871 1.00 0.00 C ATOM 154 CG ASN A 24 -0.673 8.089 3.741 1.00 0.00 C ATOM 155 OD1 ASN A 24 -0.561 6.871 3.838 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.158 8.698 2.664 1.00 0.00 N ATOM 0 H ASN A 24 0.758 7.301 6.289 1.00 0.00 H new ATOM 0 HA ASN A 24 1.802 8.572 4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.705 8.678 5.793 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.479 10.002 4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.461 8.148 1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.227 9.715 2.641 1.00 0.00 H new ATOM 157 N ASN A 25 3.022 10.614 4.870 1.00 0.00 N ATOM 158 CA ASN A 25 3.620 11.924 5.090 1.00 0.00 C ATOM 159 C ASN A 25 2.813 12.986 4.344 1.00 0.00 C ATOM 160 O ASN A 25 2.603 14.082 4.853 1.00 0.00 O ATOM 161 CB ASN A 25 5.088 11.929 4.637 1.00 0.00 C ATOM 162 CG ASN A 25 6.040 11.327 5.667 1.00 0.00 C ATOM 163 OD1 ASN A 25 6.962 11.999 6.122 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.853 10.070 6.056 1.00 0.00 N ATOM 0 H ASN A 25 3.550 10.019 4.232 1.00 0.00 H new ATOM 0 HA ASN A 25 3.601 12.153 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.175 11.373 3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.393 12.954 4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.480 9.650 6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.082 9.525 5.668 1.00 0.00 H new ATOM 165 N VAL A 26 2.372 12.667 3.124 1.00 0.00 N ATOM 166 CA VAL A 26 1.726 13.628 2.239 1.00 0.00 C ATOM 167 C VAL A 26 0.359 14.053 2.790 1.00 0.00 C ATOM 168 O VAL A 26 0.069 15.245 2.864 1.00 0.00 O ATOM 169 CB VAL A 26 1.627 13.040 0.819 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.069 14.075 -0.168 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.000 12.582 0.302 1.00 0.00 C ATOM 0 H VAL A 26 2.455 11.732 2.725 1.00 0.00 H new ATOM 0 HA VAL A 26 2.332 14.532 2.186 1.00 0.00 H new ATOM 0 HB VAL A 26 0.956 12.184 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.010 13.634 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.074 14.384 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.727 14.944 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.892 12.173 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.681 13.432 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.401 11.816 0.965 1.00 0.00 H new ATOM 172 N ILE A 27 -0.489 13.081 3.151 1.00 0.00 N ATOM 173 CA ILE A 27 -1.830 13.304 3.691 1.00 0.00 C ATOM 174 C ILE A 27 -1.895 12.632 5.075 1.00 0.00 C ATOM 175 O ILE A 27 -2.262 11.460 5.152 1.00 0.00 O ATOM 176 CB ILE A 27 -2.892 12.775 2.700 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.713 13.450 1.325 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.305 13.054 3.238 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.840 13.151 0.332 1.00 0.00 C ATOM 0 H ILE A 27 -0.252 12.092 3.072 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.044 14.365 3.818 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.762 11.699 2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.645 14.529 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.766 13.125 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.044 12.677 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.434 12.555 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.440 14.128 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.640 13.662 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.896 12.077 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.788 13.502 0.741 1.00 0.00 H new ATOM 180 N PRO A 28 -1.495 13.342 6.147 1.00 0.00 N ATOM 181 CA PRO A 28 -1.203 12.807 7.475 1.00 0.00 C ATOM 182 C PRO A 28 -2.104 11.676 7.980 1.00 0.00 C ATOM 183 O PRO A 28 -1.616 10.679 8.506 1.00 0.00 O ATOM 184 CB PRO A 28 -1.242 14.019 8.405 1.00 0.00 C ATOM 185 CG PRO A 28 -0.657 15.114 7.518 1.00 0.00 C ATOM 186 CD PRO A 28 -1.220 14.774 6.138 1.00 0.00 C ATOM 0 HA PRO A 28 -0.235 12.306 7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.256 14.253 8.728 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.649 13.862 9.306 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.965 16.107 7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.433 15.100 7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.128 15.343 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.506 15.028 5.354 1.00 0.00 H new ATOM 187 N ASP A 29 -3.419 11.854 7.869 1.00 0.00 N ATOM 188 CA ASP A 29 -4.438 10.983 8.429 1.00 0.00 C ATOM 189 C ASP A 29 -4.728 9.773 7.537 1.00 0.00 C ATOM 190 O ASP A 29 -5.253 8.767 8.016 1.00 0.00 O ATOM 191 CB ASP A 29 -5.708 11.818 8.649 1.00 0.00 C ATOM 192 CG ASP A 29 -6.221 12.456 7.360 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.392 13.113 6.687 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.427 12.290 7.084 1.00 0.00 O ATOM 0 H ASP A 29 -3.816 12.646 7.363 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.077 10.578 9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.487 11.183 9.071 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.502 12.600 9.380 1.00 0.00 H new ATOM 195 N HIS A 30 -4.374 9.823 6.252 1.00 0.00 N ATOM 196 CA HIS A 30 -4.777 8.826 5.266 1.00 0.00 C ATOM 197 C HIS A 30 -3.822 7.621 5.293 1.00 0.00 C ATOM 198 O HIS A 30 -3.393 7.143 4.247 1.00 0.00 O ATOM 199 CB HIS A 30 -4.852 9.558 3.917 1.00 0.00 C ATOM 200 CG HIS A 30 -5.590 8.882 2.789 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.417 7.590 2.353 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.391 9.514 1.875 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.086 7.459 1.193 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.682 8.612 0.854 1.00 0.00 N ATOM 0 H HIS A 30 -3.793 10.566 5.865 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.754 8.393 5.479 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.318 10.528 4.088 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.832 9.749 3.583 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.879 6.862 2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.737 10.535 1.935 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.136 6.549 0.613 1.00 0.00 H new ATOM 205 N THR A 31 -3.458 7.155 6.496 1.00 0.00 N ATOM 206 CA THR A 31 -2.373 6.201 6.710 1.00 0.00 C ATOM 207 C THR A 31 -2.728 4.805 6.194 1.00 0.00 C ATOM 208 O THR A 31 -3.905 4.469 6.092 1.00 0.00 O ATOM 209 CB THR A 31 -2.025 6.121 8.206 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.091 5.561 8.958 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.645 7.495 8.771 1.00 0.00 C ATOM 0 H THR A 31 -3.921 7.439 7.360 1.00 0.00 H new ATOM 0 HA THR A 31 -1.511 6.559 6.147 1.00 0.00 H new ATOM 0 HB THR A 31 -1.160 5.464 8.294 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.297 6.145 9.718 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.406 7.399 9.830 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.777 7.881 8.236 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.482 8.183 8.649 1.00 0.00 H new ATOM 212 N LEU A 32 -1.738 3.930 6.002 1.00 0.00 N ATOM 213 CA LEU A 32 -1.975 2.577 5.499 1.00 0.00 C ATOM 214 C LEU A 32 -2.568 1.620 6.548 1.00 0.00 C ATOM 215 O LEU A 32 -2.156 0.461 6.600 1.00 0.00 O ATOM 216 CB LEU A 32 -0.658 1.986 4.973 1.00 0.00 C ATOM 217 CG LEU A 32 0.075 2.842 3.937 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.221 2.008 3.366 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.849 3.242 2.791 1.00 0.00 C ATOM 0 H LEU A 32 -0.757 4.138 6.189 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.714 2.672 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.009 1.818 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.867 1.011 4.533 1.00 0.00 H new ATOM 0 HG LEU A 32 0.436 3.750 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.762 2.594 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.900 1.724 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.819 1.110 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.297 3.849 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.224 2.346 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.688 3.817 3.184 1.00 0.00 H new ATOM 220 N GLN A 33 -3.521 2.051 7.381 1.00 0.00 N ATOM 221 CA GLN A 33 -4.073 1.218 8.448 1.00 0.00 C ATOM 222 C GLN A 33 -5.584 1.074 8.311 1.00 0.00 C ATOM 223 O GLN A 33 -6.235 1.981 7.797 1.00 0.00 O ATOM 224 CB GLN A 33 -3.592 1.698 9.819 1.00 0.00 C ATOM 225 CG GLN A 33 -4.399 2.825 10.462 1.00 0.00 C ATOM 226 CD GLN A 33 -3.617 3.339 11.667 1.00 0.00 C ATOM 227 OE1 GLN A 33 -3.817 2.882 12.790 1.00 0.00 O ATOM 228 NE2 GLN A 33 -2.665 4.236 11.433 1.00 0.00 N ATOM 0 H GLN A 33 -3.929 2.985 7.333 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.688 0.203 8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.592 0.846 10.499 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.558 2.029 9.722 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.567 3.629 9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.380 2.463 10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.524 4.596 10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.075 4.565 12.197 1.00 0.00 H new ATOM 229 N LYS A 34 -6.128 -0.070 8.750 1.00 0.00 N ATOM 230 CA LYS A 34 -7.511 -0.488 8.543 1.00 0.00 C ATOM 231 C LYS A 34 -8.479 0.686 8.614 1.00 0.00 C ATOM 232 O LYS A 34 -9.127 1.029 7.631 1.00 0.00 O ATOM 233 CB LYS A 34 -7.856 -1.548 9.595 1.00 0.00 C ATOM 234 CG LYS A 34 -9.314 -2.017 9.535 1.00 0.00 C ATOM 235 CD LYS A 34 -9.441 -3.358 10.269 1.00 0.00 C ATOM 236 CE LYS A 34 -10.858 -3.665 10.779 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.925 -3.342 9.809 1.00 0.00 N ATOM 0 H LYS A 34 -5.589 -0.754 9.281 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.611 -0.906 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.200 -2.408 9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.653 -1.144 10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.967 -1.274 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.632 -2.124 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.127 -4.158 9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.753 -3.363 11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.921 -4.723 11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.033 -3.104 11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.778 -3.892 10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.144 -2.327 9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.605 -3.580 8.849 1.00 0.00 H new ATOM 238 N ALA A 35 -8.546 1.303 9.791 1.00 0.00 N ATOM 239 CA ALA A 35 -9.467 2.394 10.078 1.00 0.00 C ATOM 240 C ALA A 35 -9.397 3.539 9.060 1.00 0.00 C ATOM 241 O ALA A 35 -10.407 4.193 8.824 1.00 0.00 O ATOM 242 CB ALA A 35 -9.216 2.913 11.496 1.00 0.00 C ATOM 0 H ALA A 35 -7.952 1.054 10.582 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.477 1.991 9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.905 3.730 11.712 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.374 2.106 12.212 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.190 3.273 11.575 1.00 0.00 H new ATOM 243 N ALA A 36 -8.230 3.800 8.462 1.00 0.00 N ATOM 244 CA ALA A 36 -8.077 4.822 7.434 1.00 0.00 C ATOM 245 C ALA A 36 -8.418 4.234 6.062 1.00 0.00 C ATOM 246 O ALA A 36 -9.161 4.837 5.289 1.00 0.00 O ATOM 247 CB ALA A 36 -6.647 5.364 7.480 1.00 0.00 C ATOM 0 H ALA A 36 -7.366 3.305 8.681 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.764 5.649 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.523 6.130 6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.454 5.798 8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.944 4.551 7.298 1.00 0.00 H new ATOM 248 N ILE A 37 -7.925 3.024 5.787 1.00 0.00 N ATOM 249 CA ILE A 37 -8.131 2.341 4.517 1.00 0.00 C ATOM 250 C ILE A 37 -9.630 2.175 4.243 1.00 0.00 C ATOM 251 O ILE A 37 -10.119 2.561 3.186 1.00 0.00 O ATOM 252 CB ILE A 37 -7.297 1.032 4.490 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.219 1.034 3.398 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.118 -0.251 4.344 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.000 0.210 3.824 1.00 0.00 C ATOM 0 H ILE A 37 -7.366 2.489 6.451 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.761 2.937 3.683 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.833 1.024 5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.632 0.628 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.913 2.059 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.449 -1.112 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.810 -0.338 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.681 -0.219 3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.253 0.229 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.575 0.633 4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.304 -0.820 4.011 1.00 0.00 H new ATOM 256 N GLU A 38 -10.385 1.639 5.200 1.00 0.00 N ATOM 257 CA GLU A 38 -11.801 1.362 5.039 1.00 0.00 C ATOM 258 C GLU A 38 -12.623 2.621 4.751 1.00 0.00 C ATOM 259 O GLU A 38 -13.664 2.535 4.107 1.00 0.00 O ATOM 260 CB GLU A 38 -12.285 0.616 6.285 1.00 0.00 C ATOM 261 CG GLU A 38 -11.655 -0.785 6.261 1.00 0.00 C ATOM 262 CD GLU A 38 -12.052 -1.665 7.429 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.323 -1.135 8.529 1.00 0.00 O ATOM 264 OE2 GLU A 38 -11.955 -2.905 7.294 1.00 0.00 O ATOM 0 H GLU A 38 -10.021 1.384 6.118 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.947 0.734 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.994 1.151 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.373 0.547 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.938 -1.282 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.570 -0.683 6.250 1.00 0.00 H new ATOM 265 N GLN A 39 -12.178 3.778 5.240 1.00 0.00 N ATOM 266 CA GLN A 39 -12.776 5.055 4.905 1.00 0.00 C ATOM 267 C GLN A 39 -12.336 5.519 3.514 1.00 0.00 C ATOM 268 O GLN A 39 -13.177 5.772 2.655 1.00 0.00 O ATOM 269 CB GLN A 39 -12.407 6.077 5.981 1.00 0.00 C ATOM 270 CG GLN A 39 -12.901 5.671 7.375 1.00 0.00 C ATOM 271 CD GLN A 39 -14.415 5.526 7.469 1.00 0.00 C ATOM 272 OE1 GLN A 39 -15.124 6.484 7.761 1.00 0.00 O ATOM 273 NE2 GLN A 39 -14.929 4.321 7.239 1.00 0.00 N ATOM 0 H GLN A 39 -11.389 3.848 5.882 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.861 4.951 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.324 6.199 6.005 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.831 7.046 5.717 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.436 4.726 7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.570 6.415 8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.316 3.542 6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.937 4.176 7.304 1.00 0.00 H new ATOM 274 N PHE A 40 -11.027 5.690 3.305 1.00 0.00 N ATOM 275 CA PHE A 40 -10.522 6.399 2.137 1.00 0.00 C ATOM 276 C PHE A 40 -10.481 5.530 0.878 1.00 0.00 C ATOM 277 O PHE A 40 -10.781 6.023 -0.208 1.00 0.00 O ATOM 278 CB PHE A 40 -9.160 7.029 2.444 1.00 0.00 C ATOM 279 CG PHE A 40 -9.179 8.024 3.589 1.00 0.00 C ATOM 280 CD1 PHE A 40 -9.935 9.207 3.478 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.409 7.796 4.744 1.00 0.00 C ATOM 282 CE1 PHE A 40 -9.941 10.142 4.525 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.443 8.716 5.806 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.200 9.894 5.693 1.00 0.00 C ATOM 0 H PHE A 40 -10.301 5.345 3.933 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.229 7.198 1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.450 6.236 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.794 7.530 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.512 9.395 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.791 6.913 4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.515 11.052 4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.887 8.517 6.710 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.212 10.608 6.503 1.00 0.00 H new ATOM 285 N LEU A 41 -10.096 4.255 0.988 1.00 0.00 N ATOM 286 CA LEU A 41 -10.026 3.360 -0.148 1.00 0.00 C ATOM 287 C LEU A 41 -11.409 3.173 -0.784 1.00 0.00 C ATOM 288 O LEU A 41 -12.212 2.386 -0.291 1.00 0.00 O ATOM 289 CB LEU A 41 -9.435 2.008 0.296 1.00 0.00 C ATOM 290 CG LEU A 41 -8.541 1.338 -0.752 1.00 0.00 C ATOM 291 CD1 LEU A 41 -9.048 1.438 -2.191 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.153 1.961 -0.633 1.00 0.00 C ATOM 0 H LEU A 41 -9.826 3.824 1.872 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.375 3.798 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.857 2.159 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.252 1.332 0.546 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.534 0.268 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.349 0.935 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.026 0.964 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.131 2.487 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.486 1.507 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.219 3.033 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.761 1.788 0.369 1.00 0.00 H new ATOM 293 N ASP A 42 -11.658 3.848 -1.909 1.00 0.00 N ATOM 294 CA ASP A 42 -12.776 3.610 -2.822 1.00 0.00 C ATOM 295 C ASP A 42 -13.183 2.130 -2.891 1.00 0.00 C ATOM 296 O ASP A 42 -14.297 1.768 -2.517 1.00 0.00 O ATOM 297 CB ASP A 42 -12.417 4.164 -4.213 1.00 0.00 C ATOM 298 CG ASP A 42 -10.970 3.892 -4.605 1.00 0.00 C ATOM 299 OD1 ASP A 42 -10.634 2.722 -4.881 1.00 0.00 O ATOM 300 OD2 ASP A 42 -10.171 4.849 -4.537 1.00 0.00 O ATOM 0 H ASP A 42 -11.057 4.611 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.649 4.135 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.079 3.721 -4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.596 5.239 -4.227 1.00 0.00 H new ATOM 301 N GLY A 43 -12.283 1.269 -3.364 1.00 0.00 N ATOM 302 CA GLY A 43 -12.505 -0.165 -3.495 1.00 0.00 C ATOM 303 C GLY A 43 -12.592 -0.931 -2.166 1.00 0.00 C ATOM 304 O GLY A 43 -12.857 -2.132 -2.186 1.00 0.00 O ATOM 0 H GLY A 43 -11.356 1.560 -3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.429 -0.325 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.697 -0.590 -4.090 1.00 0.00 H new ATOM 305 N GLY A 44 -12.378 -0.285 -1.015 1.00 0.00 N ATOM 306 CA GLY A 44 -12.562 -0.890 0.291 1.00 0.00 C ATOM 307 C GLY A 44 -11.320 -1.657 0.724 1.00 0.00 C ATOM 308 O GLY A 44 -10.342 -1.762 -0.019 1.00 0.00 O ATOM 0 H GLY A 44 -12.068 0.686 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.788 -0.116 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.418 -1.564 0.265 1.00 0.00 H new ATOM 309 N PHE A 45 -11.350 -2.199 1.945 1.00 0.00 N ATOM 310 CA PHE A 45 -10.235 -2.976 2.473 1.00 0.00 C ATOM 311 C PHE A 45 -10.176 -4.347 1.795 1.00 0.00 C ATOM 312 O PHE A 45 -10.505 -5.363 2.407 1.00 0.00 O ATOM 313 CB PHE A 45 -10.278 -3.090 3.999 1.00 0.00 C ATOM 314 CG PHE A 45 -9.115 -3.823 4.650 1.00 0.00 C ATOM 315 CD1 PHE A 45 -7.807 -3.702 4.139 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.325 -4.530 5.849 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.719 -4.222 4.853 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.239 -5.106 6.531 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.933 -4.933 6.042 1.00 0.00 C ATOM 0 H PHE A 45 -12.139 -2.111 2.585 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.314 -2.442 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.326 -2.084 4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.202 -3.596 4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.643 -3.207 3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.324 -4.630 6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.714 -4.075 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.408 -5.681 7.430 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.095 -5.348 6.582 1.00 0.00 H new ATOM 320 N ASN A 46 -9.756 -4.378 0.529 1.00 0.00 N ATOM 321 CA ASN A 46 -9.736 -5.579 -0.307 1.00 0.00 C ATOM 322 C ASN A 46 -8.387 -5.656 -1.021 1.00 0.00 C ATOM 323 O ASN A 46 -7.825 -4.617 -1.362 1.00 0.00 O ATOM 324 CB ASN A 46 -10.899 -5.531 -1.305 1.00 0.00 C ATOM 325 CG ASN A 46 -12.256 -5.565 -0.607 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.592 -6.534 0.066 1.00 0.00 O ATOM 327 ND2 ASN A 46 -13.055 -4.509 -0.736 1.00 0.00 N ATOM 0 H ASN A 46 -9.412 -3.548 0.045 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.859 -6.474 0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.823 -4.625 -1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.823 -6.375 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.963 -4.497 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.760 -3.712 -1.300 1.00 0.00 H new ATOM 328 N ILE A 47 -7.835 -6.856 -1.228 1.00 0.00 N ATOM 329 CA ILE A 47 -6.496 -7.015 -1.775 1.00 0.00 C ATOM 330 C ILE A 47 -6.490 -6.403 -3.170 1.00 0.00 C ATOM 331 O ILE A 47 -5.638 -5.580 -3.482 1.00 0.00 O ATOM 332 CB ILE A 47 -6.110 -8.506 -1.788 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.848 -9.054 -0.373 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.903 -8.765 -2.694 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.472 -8.683 0.191 1.00 0.00 C ATOM 0 H ILE A 47 -8.306 -7.736 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.753 -6.505 -1.163 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.967 -9.043 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.619 -8.679 0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.942 -10.140 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.658 -9.827 -2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.142 -8.462 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.049 -8.191 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.362 -9.105 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.693 -9.082 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.381 -7.598 0.243 1.00 0.00 H new ATOM 336 N GLU A 48 -7.472 -6.784 -3.982 1.00 0.00 N ATOM 337 CA GLU A 48 -7.761 -6.232 -5.293 1.00 0.00 C ATOM 338 C GLU A 48 -7.624 -4.710 -5.270 1.00 0.00 C ATOM 339 O GLU A 48 -6.826 -4.128 -5.997 1.00 0.00 O ATOM 340 CB GLU A 48 -9.171 -6.639 -5.736 1.00 0.00 C ATOM 341 CG GLU A 48 -9.615 -8.050 -5.319 1.00 0.00 C ATOM 342 CD GLU A 48 -10.219 -8.128 -3.919 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.428 -8.309 -2.963 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.451 -7.953 -3.824 1.00 0.00 O ATOM 0 H GLU A 48 -8.121 -7.528 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.043 -6.631 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.882 -5.919 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.227 -6.566 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.347 -8.416 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.756 -8.719 -5.370 1.00 0.00 H new ATOM 345 N ALA A 49 -8.418 -4.084 -4.403 1.00 0.00 N ATOM 346 CA ALA A 49 -8.439 -2.640 -4.216 1.00 0.00 C ATOM 347 C ALA A 49 -7.048 -2.085 -3.880 1.00 0.00 C ATOM 348 O ALA A 49 -6.597 -1.123 -4.505 1.00 0.00 O ATOM 349 CB ALA A 49 -9.464 -2.274 -3.143 1.00 0.00 C ATOM 0 H ALA A 49 -9.076 -4.579 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.736 -2.176 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.477 -1.193 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.453 -2.612 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.195 -2.756 -2.203 1.00 0.00 H new ATOM 350 N ILE A 50 -6.352 -2.681 -2.905 1.00 0.00 N ATOM 351 CA ILE A 50 -4.996 -2.278 -2.570 1.00 0.00 C ATOM 352 C ILE A 50 -4.112 -2.361 -3.821 1.00 0.00 C ATOM 353 O ILE A 50 -3.531 -1.359 -4.237 1.00 0.00 O ATOM 354 CB ILE A 50 -4.463 -3.131 -1.399 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.238 -2.955 -0.077 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.981 -2.846 -1.163 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.402 -1.513 0.405 1.00 0.00 C ATOM 0 H ILE A 50 -6.714 -3.446 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.983 -1.241 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.612 -4.166 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.228 -3.394 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.728 -3.524 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.621 -3.455 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.416 -3.088 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.847 -1.791 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.961 -1.504 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.420 -1.069 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.943 -0.938 -0.346 1.00 0.00 H new ATOM 358 N VAL A 51 -4.003 -3.542 -4.432 1.00 0.00 N ATOM 359 CA VAL A 51 -3.167 -3.773 -5.588 1.00 0.00 C ATOM 360 C VAL A 51 -3.463 -2.721 -6.661 1.00 0.00 C ATOM 361 O VAL A 51 -2.551 -2.058 -7.145 1.00 0.00 O ATOM 362 CB VAL A 51 -3.383 -5.209 -6.096 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.551 -5.402 -7.353 1.00 0.00 C ATOM 364 CG2 VAL A 51 -2.920 -6.279 -5.102 1.00 0.00 C ATOM 0 H VAL A 51 -4.507 -4.373 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.115 -3.673 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.454 -5.326 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.690 -6.415 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.867 -4.686 -8.112 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.498 -5.243 -7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.101 -7.268 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.855 -6.157 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.475 -6.174 -4.170 1.00 0.00 H new ATOM 365 N TYR A 52 -4.743 -2.522 -6.980 1.00 0.00 N ATOM 366 CA TYR A 52 -5.197 -1.526 -7.939 1.00 0.00 C ATOM 367 C TYR A 52 -4.620 -0.137 -7.636 1.00 0.00 C ATOM 368 O TYR A 52 -4.179 0.562 -8.551 1.00 0.00 O ATOM 369 CB TYR A 52 -6.730 -1.507 -7.963 1.00 0.00 C ATOM 370 CG TYR A 52 -7.313 -0.542 -8.972 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.370 -0.902 -10.330 1.00 0.00 C ATOM 372 CD2 TYR A 52 -7.728 0.742 -8.568 1.00 0.00 C ATOM 373 CE1 TYR A 52 -7.822 0.023 -11.286 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.174 1.668 -9.526 1.00 0.00 C ATOM 375 CZ TYR A 52 -8.205 1.314 -10.885 1.00 0.00 C ATOM 376 OH TYR A 52 -8.604 2.229 -11.813 1.00 0.00 O ATOM 0 H TYR A 52 -5.504 -3.062 -6.568 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.830 -1.800 -8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.093 -2.511 -8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.096 -1.246 -6.970 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.066 -1.891 -10.639 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.703 1.014 -7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.875 -0.258 -12.328 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.493 2.653 -9.217 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.835 3.070 -11.365 1.00 0.00 H new ATOM 377 N GLN A 53 -4.606 0.276 -6.364 1.00 0.00 N ATOM 378 CA GLN A 53 -4.014 1.553 -5.986 1.00 0.00 C ATOM 379 C GLN A 53 -2.534 1.550 -6.374 1.00 0.00 C ATOM 380 O GLN A 53 -2.073 2.447 -7.080 1.00 0.00 O ATOM 381 CB GLN A 53 -4.233 1.819 -4.486 1.00 0.00 C ATOM 382 CG GLN A 53 -3.451 3.041 -3.963 1.00 0.00 C ATOM 383 CD GLN A 53 -4.304 4.159 -3.383 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.528 4.061 -3.291 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.657 5.264 -3.043 1.00 0.00 N ATOM 0 H GLN A 53 -4.997 -0.256 -5.586 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.499 2.370 -6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.297 1.971 -4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.935 0.936 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.753 2.704 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.855 3.447 -4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.642 5.309 -3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.174 6.070 -2.691 1.00 0.00 H new ATOM 386 N ILE A 54 -1.798 0.543 -5.898 1.00 0.00 N ATOM 387 CA ILE A 54 -0.366 0.423 -6.142 1.00 0.00 C ATOM 388 C ILE A 54 -0.072 0.438 -7.647 1.00 0.00 C ATOM 389 O ILE A 54 0.783 1.199 -8.093 1.00 0.00 O ATOM 390 CB ILE A 54 0.195 -0.821 -5.423 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.455 -0.562 -3.928 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.531 -1.273 -6.023 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.818 -0.572 -3.089 1.00 0.00 C ATOM 0 H ILE A 54 -2.183 -0.212 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 54 0.150 1.286 -5.722 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.569 -1.588 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.140 -1.320 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.951 0.402 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.891 -2.152 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.392 -1.521 -7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.261 -0.469 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.567 -0.384 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.495 0.205 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.303 -1.544 -3.176 1.00 0.00 H new ATOM 394 N GLU A 55 -0.778 -0.376 -8.435 1.00 0.00 N ATOM 395 CA GLU A 55 -0.679 -0.367 -9.875 1.00 0.00 C ATOM 396 C GLU A 55 -0.825 1.065 -10.392 1.00 0.00 C ATOM 397 O GLU A 55 0.128 1.633 -10.927 1.00 0.00 O ATOM 398 CB GLU A 55 -1.826 -1.198 -10.442 1.00 0.00 C ATOM 399 CG GLU A 55 -1.767 -2.722 -10.385 1.00 0.00 C ATOM 400 CD GLU A 55 -3.098 -3.302 -10.879 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.942 -2.504 -11.361 1.00 0.00 O ATOM 402 OE2 GLU A 55 -3.262 -4.531 -10.746 1.00 0.00 O ATOM 0 H GLU A 55 -1.439 -1.064 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 55 0.286 -0.773 -10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.735 -0.890 -9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.943 -0.917 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.947 -3.089 -11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.570 -3.051 -9.365 1.00 0.00 H new ATOM 403 N ASN A 56 -2.035 1.615 -10.262 1.00 0.00 N ATOM 404 CA ASN A 56 -2.529 2.667 -11.137 1.00 0.00 C ATOM 405 C ASN A 56 -2.178 4.060 -10.624 1.00 0.00 C ATOM 406 O ASN A 56 -2.165 5.008 -11.407 1.00 0.00 O ATOM 407 CB ASN A 56 -4.042 2.488 -11.341 1.00 0.00 C ATOM 408 CG ASN A 56 -4.359 1.171 -12.052 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.398 1.111 -13.276 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.559 0.114 -11.276 1.00 0.00 N ATOM 0 H ASN A 56 -2.700 1.337 -9.540 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.032 2.579 -12.103 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.546 2.512 -10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.433 3.321 -11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.755 -0.796 -11.694 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.517 0.211 -10.261 1.00 0.00 H new ATOM 411 N GLY A 57 -1.871 4.199 -9.331 1.00 0.00 N ATOM 412 CA GLY A 57 -1.527 5.487 -8.751 1.00 0.00 C ATOM 413 C GLY A 57 -2.780 6.308 -8.446 1.00 0.00 C ATOM 414 O GLY A 57 -3.857 6.043 -8.979 1.00 0.00 O ATOM 0 H GLY A 57 -1.856 3.425 -8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.956 5.335 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.886 6.039 -9.438 1.00 0.00 H new ATOM 415 N LYS A 58 -2.644 7.263 -7.524 1.00 0.00 N ATOM 416 CA LYS A 58 -3.748 7.917 -6.838 1.00 0.00 C ATOM 417 C LYS A 58 -3.463 9.404 -6.578 1.00 0.00 C ATOM 418 O LYS A 58 -2.509 9.954 -7.127 1.00 0.00 O ATOM 419 CB LYS A 58 -4.010 7.135 -5.544 1.00 0.00 C ATOM 420 CG LYS A 58 -5.490 6.759 -5.398 1.00 0.00 C ATOM 421 CD LYS A 58 -5.808 5.557 -6.297 1.00 0.00 C ATOM 422 CE LYS A 58 -7.253 5.060 -6.138 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.625 4.827 -4.729 1.00 0.00 N ATOM 0 H LYS A 58 -1.731 7.610 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.641 7.907 -7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.402 6.230 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.701 7.734 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.713 6.518 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.119 7.606 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.636 5.832 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.121 4.743 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.934 5.792 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.378 4.135 -6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.571 4.398 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.934 4.186 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.632 5.733 -4.218 1.00 0.00 H new ATOM 424 N GLY A 59 -4.290 10.047 -5.739 1.00 0.00 N ATOM 425 CA GLY A 59 -4.437 11.495 -5.616 1.00 0.00 C ATOM 426 C GLY A 59 -3.132 12.272 -5.720 1.00 0.00 C ATOM 427 O GLY A 59 -2.985 13.162 -6.553 1.00 0.00 O ATOM 0 H GLY A 59 -4.902 9.541 -5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.117 11.846 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.904 11.720 -4.657 1.00 0.00 H new ATOM 428 N ALA A 60 -2.189 11.912 -4.855 1.00 0.00 N ATOM 429 CA ALA A 60 -0.809 12.371 -4.914 1.00 0.00 C ATOM 430 C ALA A 60 0.107 11.172 -4.690 1.00 0.00 C ATOM 431 O ALA A 60 0.997 11.208 -3.840 1.00 0.00 O ATOM 432 CB ALA A 60 -0.587 13.497 -3.897 1.00 0.00 C ATOM 0 H ALA A 60 -2.369 11.278 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.576 12.793 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.448 13.834 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.252 14.330 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.799 13.128 -2.894 1.00 0.00 H new ATOM 433 N MET A 61 -0.144 10.093 -5.439 1.00 0.00 N ATOM 434 CA MET A 61 0.560 8.830 -5.303 1.00 0.00 C ATOM 435 C MET A 61 0.933 8.296 -6.687 1.00 0.00 C ATOM 436 O MET A 61 0.034 8.055 -7.491 1.00 0.00 O ATOM 437 CB MET A 61 -0.338 7.838 -4.563 1.00 0.00 C ATOM 438 CG MET A 61 0.231 6.423 -4.664 1.00 0.00 C ATOM 439 SD MET A 61 -0.264 5.282 -3.361 1.00 0.00 S ATOM 440 CE MET A 61 -0.001 3.699 -4.189 1.00 0.00 C ATOM 0 H MET A 61 -0.857 10.081 -6.168 1.00 0.00 H new ATOM 0 HA MET A 61 1.478 8.972 -4.733 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.424 8.128 -3.516 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.343 7.863 -4.985 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.067 6.000 -5.623 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.319 6.489 -4.669 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.346 2.890 -3.545 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.559 3.681 -5.125 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.061 3.569 -4.397 1.00 0.00 H new ATOM 441 N PRO A 62 2.225 8.074 -6.978 1.00 0.00 N ATOM 442 CA PRO A 62 2.649 7.588 -8.276 1.00 0.00 C ATOM 443 C PRO A 62 2.214 6.138 -8.492 1.00 0.00 C ATOM 444 O PRO A 62 2.139 5.349 -7.550 1.00 0.00 O ATOM 445 CB PRO A 62 4.172 7.718 -8.282 1.00 0.00 C ATOM 446 CG PRO A 62 4.543 7.571 -6.807 1.00 0.00 C ATOM 447 CD PRO A 62 3.373 8.257 -6.103 1.00 0.00 C ATOM 0 HA PRO A 62 2.196 8.158 -9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.639 6.946 -8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.492 8.679 -8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.636 6.525 -6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.494 8.052 -6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.193 7.816 -5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.579 9.315 -5.943 1.00 0.00 H new ATOM 448 N ALA A 63 1.966 5.797 -9.758 1.00 0.00 N ATOM 449 CA ALA A 63 1.691 4.442 -10.208 1.00 0.00 C ATOM 450 C ALA A 63 2.928 3.563 -10.033 1.00 0.00 C ATOM 451 O ALA A 63 4.058 4.064 -10.083 1.00 0.00 O ATOM 452 CB ALA A 63 1.293 4.514 -11.687 1.00 0.00 C ATOM 0 H ALA A 63 1.952 6.480 -10.516 1.00 0.00 H new ATOM 0 HA ALA A 63 0.886 4.003 -9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.080 3.511 -12.056 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.405 5.137 -11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.111 4.946 -12.263 1.00 0.00 H new ATOM 453 N TRP A 64 2.725 2.257 -9.850 1.00 0.00 N ATOM 454 CA TRP A 64 3.795 1.270 -9.801 1.00 0.00 C ATOM 455 C TRP A 64 3.633 0.214 -10.893 1.00 0.00 C ATOM 456 O TRP A 64 4.503 -0.654 -11.035 1.00 0.00 O ATOM 457 CB TRP A 64 3.916 0.697 -8.392 1.00 0.00 C ATOM 458 CG TRP A 64 4.288 1.729 -7.373 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.456 2.552 -6.694 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.632 2.146 -7.015 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.196 3.409 -5.904 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.553 3.205 -6.068 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.912 1.750 -7.440 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.700 3.816 -5.539 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.069 2.354 -6.921 1.00 0.00 C ATOM 466 CH2 TRP A 64 7.967 3.374 -5.959 1.00 0.00 C ATOM 0 H TRP A 64 1.796 1.853 -9.730 1.00 0.00 H new ATOM 0 HA TRP A 64 4.746 1.756 -10.020 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.968 0.239 -8.109 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.665 -0.095 -8.390 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.378 2.540 -6.760 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.792 4.105 -5.278 1.00 0.00 H new ATOM 0 HE3 TRP A 64 7.007 0.968 -8.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.611 4.616 -4.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.042 2.033 -7.263 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.860 3.817 -5.543 1.00 0.00 H new ATOM 467 N ASP A 65 2.575 0.333 -11.707 1.00 0.00 N ATOM 468 CA ASP A 65 2.432 -0.436 -12.918 1.00 0.00 C ATOM 469 C ASP A 65 3.723 -0.357 -13.730 1.00 0.00 C ATOM 470 O ASP A 65 4.356 0.695 -13.825 1.00 0.00 O ATOM 471 CB ASP A 65 1.239 0.047 -13.747 1.00 0.00 C ATOM 472 CG ASP A 65 1.168 -0.715 -15.064 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.561 -1.903 -15.048 1.00 0.00 O ATOM 474 OD2 ASP A 65 0.764 -0.086 -16.064 1.00 0.00 O ATOM 0 H ASP A 65 1.800 0.972 -11.530 1.00 0.00 H new ATOM 0 HA ASP A 65 2.241 -1.475 -12.649 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.316 -0.096 -13.186 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.331 1.116 -13.942 1.00 0.00 H new ATOM 475 N GLY A 66 4.136 -1.508 -14.242 1.00 0.00 N ATOM 476 CA GLY A 66 5.356 -1.710 -15.009 1.00 0.00 C ATOM 477 C GLY A 66 6.657 -1.328 -14.288 1.00 0.00 C ATOM 478 O GLY A 66 7.719 -1.423 -14.903 1.00 0.00 O ATOM 0 H GLY A 66 3.602 -2.369 -14.127 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.415 -2.760 -15.297 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.287 -1.130 -15.929 1.00 0.00 H new ATOM 479 N ARG A 67 6.616 -0.899 -13.020 1.00 0.00 N ATOM 480 CA ARG A 67 7.809 -0.551 -12.252 1.00 0.00 C ATOM 481 C ARG A 67 8.182 -1.712 -11.334 1.00 0.00 C ATOM 482 O ARG A 67 9.360 -2.040 -11.219 1.00 0.00 O ATOM 483 CB ARG A 67 7.585 0.741 -11.455 1.00 0.00 C ATOM 484 CG ARG A 67 7.414 1.946 -12.393 1.00 0.00 C ATOM 485 CD ARG A 67 6.986 3.204 -11.629 1.00 0.00 C ATOM 486 NE ARG A 67 7.998 3.643 -10.658 1.00 0.00 N ATOM 487 CZ ARG A 67 7.757 4.350 -9.539 1.00 0.00 C ATOM 488 NH1 ARG A 67 6.510 4.654 -9.158 1.00 0.00 N ATOM 489 NH2 ARG A 67 8.790 4.762 -8.795 1.00 0.00 N ATOM 0 H ARG A 67 5.747 -0.784 -12.499 1.00 0.00 H new ATOM 0 HA ARG A 67 8.637 -0.370 -12.938 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.700 0.636 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.430 0.912 -10.788 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.352 2.138 -12.913 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.670 1.712 -13.154 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.795 4.009 -12.339 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.048 3.008 -11.109 1.00 0.00 H new ATOM 0 HE ARG A 67 8.967 3.390 -10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.716 4.348 -9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.354 5.191 -8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.744 4.539 -9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.623 5.299 -7.944 1.00 0.00 H new ATOM 490 N LEU A 68 7.185 -2.313 -10.681 1.00 0.00 N ATOM 491 CA LEU A 68 7.362 -3.510 -9.863 1.00 0.00 C ATOM 492 C LEU A 68 6.886 -4.738 -10.655 1.00 0.00 C ATOM 493 O LEU A 68 6.078 -4.593 -11.573 1.00 0.00 O ATOM 494 CB LEU A 68 6.572 -3.347 -8.557 1.00 0.00 C ATOM 495 CG LEU A 68 6.961 -2.120 -7.716 1.00 0.00 C ATOM 496 CD1 LEU A 68 6.098 -2.080 -6.452 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.436 -2.092 -7.310 1.00 0.00 C ATOM 0 H LEU A 68 6.222 -1.977 -10.707 1.00 0.00 H new ATOM 0 HA LEU A 68 8.414 -3.651 -9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.511 -3.284 -8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.709 -4.243 -7.952 1.00 0.00 H new ATOM 0 HG LEU A 68 6.790 -1.247 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.371 -1.211 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.047 -2.013 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.262 -2.988 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.634 -1.197 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.667 -2.977 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.059 -2.082 -8.204 1.00 0.00 H new ATOM 498 N ASP A 69 7.371 -5.937 -10.309 1.00 0.00 N ATOM 499 CA ASP A 69 6.878 -7.199 -10.871 1.00 0.00 C ATOM 500 C ASP A 69 5.476 -7.494 -10.341 1.00 0.00 C ATOM 501 O ASP A 69 5.010 -6.893 -9.379 1.00 0.00 O ATOM 502 CB ASP A 69 7.836 -8.352 -10.536 1.00 0.00 C ATOM 503 CG ASP A 69 7.528 -9.696 -11.178 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.606 -10.361 -10.654 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.186 -10.019 -12.188 1.00 0.00 O ATOM 0 H ASP A 69 8.120 -6.059 -9.628 1.00 0.00 H new ATOM 0 HA ASP A 69 6.830 -7.104 -11.956 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.843 -8.056 -10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.846 -8.485 -9.454 1.00 0.00 H new ATOM 506 N GLU A 70 4.824 -8.473 -10.946 1.00 0.00 N ATOM 507 CA GLU A 70 3.499 -8.930 -10.567 1.00 0.00 C ATOM 508 C GLU A 70 3.530 -9.481 -9.141 1.00 0.00 C ATOM 509 O GLU A 70 2.700 -9.118 -8.305 1.00 0.00 O ATOM 510 CB GLU A 70 3.016 -10.006 -11.550 1.00 0.00 C ATOM 511 CG GLU A 70 2.830 -9.459 -12.974 1.00 0.00 C ATOM 512 CD GLU A 70 2.266 -10.512 -13.923 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.432 -11.319 -13.457 1.00 0.00 O ATOM 514 OE2 GLU A 70 2.669 -10.487 -15.106 1.00 0.00 O ATOM 0 H GLU A 70 5.214 -8.986 -11.737 1.00 0.00 H new ATOM 0 HA GLU A 70 2.804 -8.091 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.735 -10.825 -11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.071 -10.419 -11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.160 -8.599 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.788 -9.105 -13.354 1.00 0.00 H new ATOM 515 N ASP A 71 4.488 -10.368 -8.856 1.00 0.00 N ATOM 516 CA ASP A 71 4.538 -11.024 -7.554 1.00 0.00 C ATOM 517 C ASP A 71 4.903 -10.001 -6.485 1.00 0.00 C ATOM 518 O ASP A 71 4.337 -9.967 -5.397 1.00 0.00 O ATOM 519 CB ASP A 71 5.534 -12.184 -7.574 1.00 0.00 C ATOM 520 CG ASP A 71 5.192 -13.182 -6.483 1.00 0.00 C ATOM 521 OD1 ASP A 71 4.232 -13.960 -6.667 1.00 0.00 O ATOM 522 OD2 ASP A 71 5.895 -13.255 -5.447 1.00 0.00 O ATOM 0 H ASP A 71 5.228 -10.643 -9.502 1.00 0.00 H new ATOM 0 HA ASP A 71 3.557 -11.439 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.513 -12.675 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.546 -11.807 -7.429 1.00 0.00 H new ATOM 523 N GLU A 72 5.847 -9.133 -6.842 1.00 0.00 N ATOM 524 CA GLU A 72 6.290 -8.002 -6.062 1.00 0.00 C ATOM 525 C GLU A 72 5.098 -7.119 -5.658 1.00 0.00 C ATOM 526 O GLU A 72 4.804 -6.980 -4.470 1.00 0.00 O ATOM 527 CB GLU A 72 7.334 -7.293 -6.928 1.00 0.00 C ATOM 528 CG GLU A 72 8.103 -6.250 -6.163 1.00 0.00 C ATOM 529 CD GLU A 72 9.223 -5.634 -6.988 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.066 -5.619 -8.227 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.209 -5.189 -6.365 1.00 0.00 O ATOM 0 H GLU A 72 6.343 -9.212 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 72 6.741 -8.288 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.029 -8.030 -7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.839 -6.824 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.420 -5.465 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.523 -6.699 -5.263 1.00 0.00 H new ATOM 532 N ILE A 73 4.382 -6.565 -6.646 1.00 0.00 N ATOM 533 CA ILE A 73 3.117 -5.843 -6.469 1.00 0.00 C ATOM 534 C ILE A 73 2.208 -6.610 -5.498 1.00 0.00 C ATOM 535 O ILE A 73 1.756 -6.081 -4.480 1.00 0.00 O ATOM 536 CB ILE A 73 2.408 -5.667 -7.833 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.139 -4.729 -8.803 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.961 -5.201 -7.678 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.818 -3.238 -8.678 1.00 0.00 C ATOM 0 H ILE A 73 4.678 -6.609 -7.621 1.00 0.00 H new ATOM 0 HA ILE A 73 3.328 -4.857 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 73 2.423 -6.666 -8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.212 -4.861 -8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.910 -5.044 -9.821 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.506 -5.092 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.402 -5.936 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.941 -4.242 -7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.395 -2.679 -9.415 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.754 -3.079 -8.853 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.076 -2.893 -7.677 1.00 0.00 H new ATOM 540 N ALA A 74 1.923 -7.871 -5.822 1.00 0.00 N ATOM 541 CA ALA A 74 1.054 -8.697 -4.998 1.00 0.00 C ATOM 542 C ALA A 74 1.571 -8.799 -3.556 1.00 0.00 C ATOM 543 O ALA A 74 0.781 -8.787 -2.612 1.00 0.00 O ATOM 544 CB ALA A 74 0.886 -10.077 -5.635 1.00 0.00 C ATOM 0 H ALA A 74 2.285 -8.340 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 74 0.075 -8.221 -4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.234 -10.689 -5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.444 -9.969 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.860 -10.558 -5.723 1.00 0.00 H new ATOM 545 N GLY A 75 2.892 -8.884 -3.375 1.00 0.00 N ATOM 546 CA GLY A 75 3.510 -9.088 -2.082 1.00 0.00 C ATOM 547 C GLY A 75 3.377 -7.818 -1.266 1.00 0.00 C ATOM 548 O GLY A 75 2.990 -7.861 -0.102 1.00 0.00 O ATOM 0 H GLY A 75 3.563 -8.811 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.033 -9.920 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.561 -9.349 -2.204 1.00 0.00 H new ATOM 549 N VAL A 76 3.677 -6.671 -1.878 1.00 0.00 N ATOM 550 CA VAL A 76 3.578 -5.396 -1.189 1.00 0.00 C ATOM 551 C VAL A 76 2.128 -5.133 -0.785 1.00 0.00 C ATOM 552 O VAL A 76 1.870 -4.746 0.356 1.00 0.00 O ATOM 553 CB VAL A 76 4.259 -4.284 -2.007 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.362 -3.539 -2.997 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.833 -3.219 -1.062 1.00 0.00 C ATOM 0 H VAL A 76 3.989 -6.605 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 76 4.133 -5.417 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 76 5.016 -4.814 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.946 -2.780 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.956 -4.244 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.544 -3.062 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.314 -2.435 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.027 -2.787 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.566 -3.678 -0.399 1.00 0.00 H new ATOM 556 N ALA A 77 1.169 -5.400 -1.683 1.00 0.00 N ATOM 557 CA ALA A 77 -0.236 -5.325 -1.321 1.00 0.00 C ATOM 558 C ALA A 77 -0.555 -6.237 -0.133 1.00 0.00 C ATOM 559 O ALA A 77 -1.075 -5.768 0.877 1.00 0.00 O ATOM 560 CB ALA A 77 -1.101 -5.666 -2.527 1.00 0.00 C ATOM 0 H ALA A 77 1.347 -5.666 -2.652 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.459 -4.304 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.153 -5.608 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.899 -4.959 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.871 -6.676 -2.866 1.00 0.00 H new ATOM 561 N ALA A 78 -0.246 -7.534 -0.242 1.00 0.00 N ATOM 562 CA ALA A 78 -0.451 -8.494 0.837 1.00 0.00 C ATOM 563 C ALA A 78 0.151 -8.012 2.165 1.00 0.00 C ATOM 564 O ALA A 78 -0.509 -8.070 3.199 1.00 0.00 O ATOM 565 CB ALA A 78 0.116 -9.859 0.436 1.00 0.00 C ATOM 0 H ALA A 78 0.154 -7.944 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.525 -8.590 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.041 -10.571 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.391 -10.214 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.184 -9.765 0.237 1.00 0.00 H new ATOM 566 N TYR A 79 1.392 -7.526 2.149 1.00 0.00 N ATOM 567 CA TYR A 79 2.080 -7.027 3.333 1.00 0.00 C ATOM 568 C TYR A 79 1.330 -5.857 3.950 1.00 0.00 C ATOM 569 O TYR A 79 1.058 -5.845 5.149 1.00 0.00 O ATOM 570 CB TYR A 79 3.499 -6.591 2.960 1.00 0.00 C ATOM 571 CG TYR A 79 4.298 -6.030 4.122 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.526 -6.830 5.257 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.676 -4.674 4.139 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.072 -6.265 6.421 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.274 -4.123 5.286 1.00 0.00 C ATOM 576 CZ TYR A 79 5.446 -4.912 6.435 1.00 0.00 C ATOM 577 OH TYR A 79 5.895 -4.346 7.591 1.00 0.00 O ATOM 0 H TYR A 79 1.953 -7.468 1.299 1.00 0.00 H new ATOM 0 HA TYR A 79 2.123 -7.831 4.068 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.033 -7.445 2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.442 -5.838 2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.280 -7.881 5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.506 -4.056 3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.204 -6.871 7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.601 -3.094 5.283 1.00 0.00 H new ATOM 0 HH TYR A 79 5.405 -4.723 8.352 1.00 0.00 H new ATOM 578 N VAL A 80 1.001 -4.860 3.132 1.00 0.00 N ATOM 579 CA VAL A 80 0.192 -3.743 3.564 1.00 0.00 C ATOM 580 C VAL A 80 -1.116 -4.260 4.174 1.00 0.00 C ATOM 581 O VAL A 80 -1.534 -3.784 5.229 1.00 0.00 O ATOM 582 CB VAL A 80 0.000 -2.807 2.361 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.212 -1.907 2.539 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.259 -1.951 2.166 1.00 0.00 C ATOM 0 H VAL A 80 1.291 -4.812 2.155 1.00 0.00 H new ATOM 0 HA VAL A 80 0.674 -3.166 4.353 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.169 -3.424 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.315 -1.259 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.108 -2.519 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.083 -1.296 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.120 -1.288 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.437 -1.356 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.116 -2.600 1.986 1.00 0.00 H new ATOM 585 N TYR A 81 -1.755 -5.243 3.536 1.00 0.00 N ATOM 586 CA TYR A 81 -2.988 -5.828 4.034 1.00 0.00 C ATOM 587 C TYR A 81 -2.782 -6.434 5.422 1.00 0.00 C ATOM 588 O TYR A 81 -3.548 -6.141 6.334 1.00 0.00 O ATOM 589 CB TYR A 81 -3.548 -6.853 3.044 1.00 0.00 C ATOM 590 CG TYR A 81 -5.043 -7.064 3.181 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.557 -7.908 4.182 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.927 -6.371 2.333 1.00 0.00 C ATOM 593 CE1 TYR A 81 -6.948 -8.027 4.358 1.00 0.00 C ATOM 594 CE2 TYR A 81 -7.313 -6.505 2.501 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.827 -7.297 3.541 1.00 0.00 C ATOM 596 OH TYR A 81 -9.171 -7.380 3.752 1.00 0.00 O ATOM 0 H TYR A 81 -1.427 -5.651 2.661 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.728 -5.034 4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.326 -6.526 2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.039 -7.805 3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.883 -8.465 4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.538 -5.735 1.552 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.341 -8.681 5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.988 -5.997 1.828 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.618 -6.623 3.319 1.00 0.00 H new ATOM 597 N ASP A 82 -1.748 -7.265 5.586 1.00 0.00 N ATOM 598 CA ASP A 82 -1.380 -7.852 6.870 1.00 0.00 C ATOM 599 C ASP A 82 -1.197 -6.759 7.924 1.00 0.00 C ATOM 600 O ASP A 82 -1.843 -6.775 8.976 1.00 0.00 O ATOM 601 CB ASP A 82 -0.086 -8.670 6.735 1.00 0.00 C ATOM 602 CG ASP A 82 0.391 -9.114 8.110 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.385 -9.768 8.841 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.505 -8.718 8.517 1.00 0.00 O ATOM 0 H ASP A 82 -1.138 -7.550 4.819 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.185 -8.515 7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.260 -9.540 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.684 -8.071 6.249 1.00 0.00 H new ATOM 605 N GLN A 83 -0.310 -5.803 7.629 1.00 0.00 N ATOM 606 CA GLN A 83 -0.011 -4.688 8.503 1.00 0.00 C ATOM 607 C GLN A 83 -1.300 -4.000 8.942 1.00 0.00 C ATOM 608 O GLN A 83 -1.525 -3.826 10.138 1.00 0.00 O ATOM 609 CB GLN A 83 0.908 -3.689 7.803 1.00 0.00 C ATOM 610 CG GLN A 83 2.372 -4.115 7.748 1.00 0.00 C ATOM 611 CD GLN A 83 3.098 -4.113 9.095 1.00 0.00 C ATOM 612 OE1 GLN A 83 3.903 -5.000 9.366 1.00 0.00 O ATOM 613 NE2 GLN A 83 2.841 -3.123 9.946 1.00 0.00 N ATOM 0 H GLN A 83 0.223 -5.791 6.760 1.00 0.00 H new ATOM 0 HA GLN A 83 0.502 -5.070 9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.549 -3.533 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.840 -2.729 8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.427 -5.118 7.324 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.902 -3.451 7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.168 -2.398 9.697 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.317 -3.089 10.847 1.00 0.00 H new ATOM 614 N ALA A 84 -2.138 -3.620 7.975 1.00 0.00 N ATOM 615 CA ALA A 84 -3.401 -2.941 8.208 1.00 0.00 C ATOM 616 C ALA A 84 -4.360 -3.798 9.034 1.00 0.00 C ATOM 617 O ALA A 84 -4.970 -3.289 9.969 1.00 0.00 O ATOM 618 CB ALA A 84 -4.028 -2.558 6.865 1.00 0.00 C ATOM 0 H ALA A 84 -1.946 -3.783 6.986 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.206 -2.037 8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.976 -2.048 7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.353 -1.895 6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.202 -3.458 6.275 1.00 0.00 H new ATOM 619 N ALA A 85 -4.494 -5.084 8.698 1.00 0.00 N ATOM 620 CA ALA A 85 -5.407 -6.013 9.354 1.00 0.00 C ATOM 621 C ALA A 85 -5.048 -6.155 10.828 1.00 0.00 C ATOM 622 O ALA A 85 -5.898 -5.976 11.697 1.00 0.00 O ATOM 623 CB ALA A 85 -5.370 -7.381 8.662 1.00 0.00 C ATOM 0 H ALA A 85 -3.957 -5.514 7.945 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.419 -5.615 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.057 -8.062 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.667 -7.269 7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.359 -7.786 8.710 1.00 0.00 H new ATOM 624 N GLY A 86 -3.780 -6.466 11.109 1.00 0.00 N ATOM 625 CA GLY A 86 -3.279 -6.470 12.477 1.00 0.00 C ATOM 626 C GLY A 86 -3.292 -5.059 13.070 1.00 0.00 C ATOM 627 O GLY A 86 -3.329 -4.892 14.286 1.00 0.00 O ATOM 0 H GLY A 86 -3.086 -6.717 10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.891 -7.132 13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.264 -6.867 12.495 1.00 0.00 H new ATOM 628 N ASN A 87 -3.221 -4.050 12.198 1.00 0.00 N ATOM 629 CA ASN A 87 -3.031 -2.646 12.516 1.00 0.00 C ATOM 630 C ASN A 87 -1.706 -2.486 13.260 1.00 0.00 C ATOM 631 O ASN A 87 -1.607 -1.731 14.225 1.00 0.00 O ATOM 632 CB ASN A 87 -4.254 -2.086 13.253 1.00 0.00 C ATOM 633 CG ASN A 87 -4.385 -0.579 13.051 1.00 0.00 C ATOM 634 OD1 ASN A 87 -5.303 -0.117 12.375 1.00 0.00 O ATOM 635 ND2 ASN A 87 -3.464 0.200 13.606 1.00 0.00 N ATOM 0 H ASN A 87 -3.300 -4.208 11.193 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.957 -2.044 11.610 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.156 -2.582 12.894 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.171 -2.306 14.317 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.506 1.211 13.477 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.715 -0.213 14.161 1.00 0.00 H new ATOM 636 N LYS A 88 -0.687 -3.222 12.799 1.00 0.00 N ATOM 637 CA LYS A 88 0.573 -3.428 13.489 1.00 0.00 C ATOM 638 C LYS A 88 1.660 -2.520 12.896 1.00 0.00 C ATOM 639 O LYS A 88 2.811 -2.933 12.737 1.00 0.00 O ATOM 640 CB LYS A 88 0.908 -4.933 13.435 1.00 0.00 C ATOM 641 CG LYS A 88 1.126 -5.459 12.012 1.00 0.00 C ATOM 642 CD LYS A 88 1.590 -6.919 11.918 1.00 0.00 C ATOM 643 CE LYS A 88 0.415 -7.876 11.665 1.00 0.00 C ATOM 644 NZ LYS A 88 0.849 -9.115 10.993 1.00 0.00 N ATOM 0 H LYS A 88 -0.728 -3.704 11.901 1.00 0.00 H new ATOM 0 HA LYS A 88 0.506 -3.144 14.539 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.806 -5.119 14.024 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.099 -5.494 13.902 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.194 -5.354 11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.864 -4.828 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.319 -7.018 11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.095 -7.200 12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.061 -8.125 12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.336 -7.375 11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.025 -9.588 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.535 -8.883 10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.294 -9.749 11.687 1.00 0.00 H new ATOM 645 N TRP A 89 1.278 -1.299 12.519 1.00 0.00 N ATOM 646 CA TRP A 89 2.221 -0.236 12.220 1.00 0.00 C ATOM 647 C TRP A 89 2.801 0.312 13.523 1.00 0.00 C ATOM 648 O TRP A 89 2.046 0.326 14.520 1.00 0.00 O ATOM 649 CB TRP A 89 1.504 0.856 11.427 1.00 0.00 C ATOM 650 CG TRP A 89 1.073 0.415 10.067 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.202 0.228 9.667 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.906 0.032 8.933 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.209 -0.172 8.351 1.00 0.00 N ATOM 654 CE2 TRP A 89 1.059 -0.271 7.830 1.00 0.00 C ATOM 655 CE3 TRP A 89 3.291 -0.135 8.734 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.555 -0.649 6.573 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.793 -0.598 7.506 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.940 -0.796 6.407 1.00 0.00 C ATOM 659 OXT TRP A 89 3.988 0.705 13.496 1.00 0.00 O ATOM 0 H TRP A 89 0.301 -1.025 12.414 1.00 0.00 H new ATOM 0 HA TRP A 89 3.046 -0.617 11.618 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.630 1.187 11.988 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.165 1.717 11.329 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.078 0.370 10.282 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.058 -0.372 7.822 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.976 0.096 9.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.882 -0.824 5.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.848 -0.804 7.405 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.348 -1.059 5.442 1.00 0.00 H new TER 660 TRP A 89 HETATM 661 FE HEM A 90 0.883 5.236 -1.282 1.00 0.00 FE HETATM 662 CHA HEM A 90 -2.418 6.103 -0.452 1.00 0.00 C HETATM 663 CHB HEM A 90 0.183 1.947 -0.691 1.00 0.00 C HETATM 664 CHC HEM A 90 4.018 4.471 -2.471 1.00 0.00 C HETATM 665 CHD HEM A 90 1.622 8.642 -1.501 1.00 0.00 C HETATM 666 NA HEM A 90 -0.817 4.213 -0.730 1.00 0.00 N HETATM 667 C1A HEM A 90 -2.037 4.764 -0.442 1.00 0.00 C HETATM 668 C2A HEM A 90 -2.920 3.690 -0.062 1.00 0.00 C HETATM 669 C3A HEM A 90 -2.197 2.523 -0.139 1.00 0.00 C HETATM 670 C4A HEM A 90 -0.854 2.868 -0.543 1.00 0.00 C HETATM 671 CMA HEM A 90 -2.694 1.134 0.163 1.00 0.00 C HETATM 672 CAA HEM A 90 -4.327 3.856 0.462 1.00 0.00 C HETATM 673 CBA HEM A 90 -4.359 4.239 1.948 1.00 0.00 C HETATM 674 CGA HEM A 90 -5.770 4.541 2.443 1.00 0.00 C HETATM 675 O1A HEM A 90 -6.727 4.173 1.731 1.00 0.00 O HETATM 676 O2A HEM A 90 -5.865 5.172 3.517 1.00 0.00 O HETATM 677 NB HEM A 90 1.921 3.511 -1.533 1.00 0.00 N HETATM 678 C1B HEM A 90 1.447 2.276 -1.201 1.00 0.00 C HETATM 679 C2B HEM A 90 2.503 1.329 -1.476 1.00 0.00 C HETATM 680 C3B HEM A 90 3.548 2.026 -2.049 1.00 0.00 C HETATM 681 C4B HEM A 90 3.184 3.425 -2.049 1.00 0.00 C HETATM 682 CMB HEM A 90 2.500 -0.143 -1.137 1.00 0.00 C HETATM 683 CAB HEM A 90 4.859 1.442 -2.544 1.00 0.00 C HETATM 684 CBB HEM A 90 4.702 0.547 -3.779 1.00 0.00 C HETATM 685 NC HEM A 90 2.516 6.360 -1.929 1.00 0.00 N HETATM 686 C1C HEM A 90 3.693 5.822 -2.345 1.00 0.00 C HETATM 687 C2C HEM A 90 4.613 6.910 -2.582 1.00 0.00 C HETATM 688 C3C HEM A 90 3.969 8.078 -2.227 1.00 0.00 C HETATM 689 C4C HEM A 90 2.610 7.723 -1.875 1.00 0.00 C HETATM 690 CMC HEM A 90 6.061 6.775 -3.002 1.00 0.00 C HETATM 691 CAC HEM A 90 4.609 9.443 -2.023 1.00 0.00 C HETATM 692 CBC HEM A 90 5.136 10.093 -3.304 1.00 0.00 C HETATM 693 ND HEM A 90 -0.211 7.053 -1.027 1.00 0.00 N HETATM 694 C1D HEM A 90 0.321 8.297 -1.154 1.00 0.00 C HETATM 695 C2D HEM A 90 -0.744 9.249 -0.937 1.00 0.00 C HETATM 696 C3D HEM A 90 -1.893 8.536 -0.711 1.00 0.00 C HETATM 697 C4D HEM A 90 -1.538 7.139 -0.717 1.00 0.00 C HETATM 698 CMD HEM A 90 -0.688 10.746 -1.111 1.00 0.00 C HETATM 699 CAD HEM A 90 -3.275 9.137 -0.606 1.00 0.00 C HETATM 700 CBD HEM A 90 -3.835 9.564 -1.974 1.00 0.00 C HETATM 701 CGD HEM A 90 -4.873 8.612 -2.557 1.00 0.00 C HETATM 702 O1D HEM A 90 -4.945 7.455 -2.088 1.00 0.00 O HETATM 703 O2D HEM A 90 -5.546 9.050 -3.517 1.00 0.00 O HETATM 0 HMA1 HEM A 90 -3.489 1.186 0.907 1.00 0.00 H new HETATM 0 HMA2 HEM A 90 -1.873 0.530 0.550 1.00 0.00 H new HETATM 0 HMA3 HEM A 90 -3.080 0.679 -0.749 1.00 0.00 H new HETATM 0 HMB1 HEM A 90 3.097 -0.686 -1.870 1.00 0.00 H new HETATM 0 HMB2 HEM A 90 1.477 -0.518 -1.153 1.00 0.00 H new HETATM 0 HMB3 HEM A 90 2.924 -0.288 -0.144 1.00 0.00 H new HETATM 0 HMC1 HEM A 90 6.469 5.844 -2.608 1.00 0.00 H new HETATM 0 HMC2 HEM A 90 6.633 7.616 -2.610 1.00 0.00 H new HETATM 0 HMC3 HEM A 90 6.125 6.768 -4.090 1.00 0.00 H new HETATM 0 HMD1 HEM A 90 0.324 11.098 -0.911 1.00 0.00 H new HETATM 0 HMD2 HEM A 90 -1.381 11.219 -0.416 1.00 0.00 H new HETATM 0 HMD3 HEM A 90 -0.966 11.004 -2.133 1.00 0.00 H new HETATM 0 HBB1 HEM A 90 5.577 0.073 -4.223 1.00 0.00 H new HETATM 0 HBB2 HEM A 90 3.715 0.385 -4.213 1.00 0.00 H new HETATM 0 HBC1 HEM A 90 5.612 11.073 -3.262 1.00 0.00 H new HETATM 0 HBC2 HEM A 90 5.035 9.576 -4.259 1.00 0.00 H new HETATM 0 HBA1 HEM A 90 -3.726 5.112 2.109 1.00 0.00 H new HETATM 0 HBA2 HEM A 90 -3.936 3.426 2.539 1.00 0.00 H new HETATM 0 HAA1 HEM A 90 -4.877 2.926 0.318 1.00 0.00 H new HETATM 0 HAA2 HEM A 90 -4.839 4.623 -0.119 1.00 0.00 H new HETATM 0 HBD1 HEM A 90 -3.008 9.656 -2.678 1.00 0.00 H new HETATM 0 HBD2 HEM A 90 -4.282 10.553 -1.877 1.00 0.00 H new HETATM 0 HAD1 HEM A 90 -3.243 10.002 0.056 1.00 0.00 H new HETATM 0 HAD2 HEM A 90 -3.950 8.412 -0.151 1.00 0.00 H new HETATM 0 HHA HEM A 90 -3.449 6.345 -0.243 1.00 0.00 H new HETATM 0 HHB HEM A 90 0.002 0.924 -0.396 1.00 0.00 H new HETATM 0 HHC HEM A 90 4.967 4.216 -2.919 1.00 0.00 H new HETATM 0 HHD HEM A 90 1.889 9.688 -1.481 1.00 0.00 H new HETATM 0 HAB HEM A 90 5.819 1.640 -2.067 1.00 0.00 H new HETATM 0 HAC HEM A 90 4.686 9.919 -1.045 1.00 0.00 H new