USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 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 Set 1.1: A 60 TYR OH : rot 178:sc= 0.812 USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= -0.186 USER MOD Set 2.1: A 34 LYS NZ :NH3+ 177:sc= 0.114 (180deg=0) USER MOD Set 2.2: A 46 GLN : amide:sc= 0.137 K(o=0.25,f=-0.36) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 83:sc= 0.267 USER MOD Single : A 15 GLN : amide:sc= -0.0195 X(o=-0.02,f=0.2) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -117:sc= 0.101 (180deg=-1.05) USER MOD Single : A 59 THR OG1 : rot -173:sc= 1.39 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 21:sc= 0.299 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc=-0.00298 X(o=-0.003,f=-0.003) USER MOD Single : A 74 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.348) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0489 K(o=-0.049,f=-0.78) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 3:sc= 0.0423 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.27) USER MOD Single : A 103 GLN : amide:sc=-0.00012 X(o=-0.00012,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 13.483 2.536 -10.865 1.00 0.00 N ATOM 35 CA ASN A 5 13.465 3.275 -9.562 1.00 0.00 C ATOM 36 C ASN A 5 12.347 2.708 -8.626 1.00 0.00 C ATOM 37 O ASN A 5 11.418 3.397 -8.191 1.00 0.00 O ATOM 38 CB ASN A 5 13.303 4.794 -9.801 1.00 0.00 C ATOM 39 CG ASN A 5 14.470 5.500 -10.523 1.00 0.00 C ATOM 40 OD1 ASN A 5 15.592 5.557 -10.024 1.00 0.00 O ATOM 41 ND2 ASN A 5 14.226 6.049 -11.704 1.00 0.00 N ATOM 0 HA ASN A 5 14.420 3.125 -9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.394 4.954 -10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.154 5.278 -8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 5 14.973 6.525 -12.209 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.291 5.995 -12.108 1.00 0.00 H new ATOM 42 N ALA A 6 12.501 1.413 -8.338 1.00 0.00 N ATOM 43 CA ALA A 6 11.500 0.587 -7.621 1.00 0.00 C ATOM 44 C ALA A 6 12.146 -0.238 -6.482 1.00 0.00 C ATOM 45 O ALA A 6 13.368 -0.440 -6.429 1.00 0.00 O ATOM 46 CB ALA A 6 10.852 -0.354 -8.661 1.00 0.00 C ATOM 0 H ALA A 6 13.338 0.890 -8.597 1.00 0.00 H new ATOM 0 HA ALA A 6 10.756 1.234 -7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.107 -0.980 -8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.372 0.239 -9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.620 -0.986 -9.108 1.00 0.00 H new ATOM 47 N LEU A 7 11.287 -0.739 -5.573 1.00 0.00 N ATOM 48 CA LEU A 7 11.723 -1.584 -4.439 1.00 0.00 C ATOM 49 C LEU A 7 11.448 -3.060 -4.801 1.00 0.00 C ATOM 50 O LEU A 7 10.308 -3.491 -5.015 1.00 0.00 O ATOM 51 CB LEU A 7 11.078 -1.176 -3.090 1.00 0.00 C ATOM 52 CG LEU A 7 11.350 0.283 -2.628 1.00 0.00 C ATOM 53 CD1 LEU A 7 10.779 0.532 -1.219 1.00 0.00 C ATOM 54 CD2 LEU A 7 12.835 0.712 -2.622 1.00 0.00 C ATOM 0 H LEU A 7 10.281 -0.573 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 7 12.792 -1.438 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.000 -1.319 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.436 -1.855 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 7 10.847 0.889 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.983 1.560 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.702 0.364 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.247 -0.151 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.914 1.745 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.398 0.066 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.242 0.628 -3.630 1.00 0.00 H new ATOM 55 N GLU A 8 12.557 -3.806 -4.827 1.00 0.00 N ATOM 56 CA GLU A 8 12.573 -5.281 -5.001 1.00 0.00 C ATOM 57 C GLU A 8 12.079 -5.975 -3.700 1.00 0.00 C ATOM 58 O GLU A 8 12.769 -6.007 -2.678 1.00 0.00 O ATOM 59 CB GLU A 8 13.954 -5.799 -5.488 1.00 0.00 C ATOM 60 CG GLU A 8 15.234 -5.506 -4.653 1.00 0.00 C ATOM 61 CD GLU A 8 15.867 -4.123 -4.870 1.00 0.00 C ATOM 62 OE1 GLU A 8 16.639 -3.963 -5.842 1.00 0.00 O ATOM 63 OE2 GLU A 8 15.607 -3.197 -4.069 1.00 0.00 O ATOM 0 H GLU A 8 13.490 -3.405 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 8 11.876 -5.546 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.876 -6.881 -5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.118 -5.394 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.989 -5.611 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.979 -6.267 -4.885 1.00 0.00 H new ATOM 64 N THR A 9 10.827 -6.444 -3.755 1.00 0.00 N ATOM 65 CA THR A 9 10.033 -6.768 -2.541 1.00 0.00 C ATOM 66 C THR A 9 9.665 -8.272 -2.672 1.00 0.00 C ATOM 67 O THR A 9 8.864 -8.662 -3.525 1.00 0.00 O ATOM 68 CB THR A 9 8.865 -5.735 -2.451 1.00 0.00 C ATOM 69 OG1 THR A 9 9.405 -4.435 -2.214 1.00 0.00 O ATOM 70 CG2 THR A 9 7.819 -5.996 -1.365 1.00 0.00 C ATOM 0 H THR A 9 10.330 -6.612 -4.630 1.00 0.00 H new ATOM 0 HA THR A 9 10.544 -6.668 -1.584 1.00 0.00 H new ATOM 0 HB THR A 9 8.348 -5.827 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.693 -4.041 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.058 -5.216 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.352 -6.966 -1.536 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.301 -5.992 -0.387 1.00 0.00 H new ATOM 71 N TRP A 10 10.330 -9.115 -1.862 1.00 0.00 N ATOM 72 CA TRP A 10 10.342 -10.593 -2.050 1.00 0.00 C ATOM 73 C TRP A 10 9.581 -11.328 -0.914 1.00 0.00 C ATOM 74 O TRP A 10 9.577 -10.893 0.245 1.00 0.00 O ATOM 75 CB TRP A 10 11.811 -11.093 -2.160 1.00 0.00 C ATOM 76 CG TRP A 10 12.487 -10.812 -3.511 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.331 -9.722 -3.808 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.409 -11.553 -4.680 1.00 0.00 C ATOM 79 NE1 TRP A 10 13.773 -9.760 -5.145 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.202 -10.912 -5.661 1.00 0.00 C ATOM 81 CE3 TRP A 10 11.703 -12.741 -4.989 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.313 -11.472 -6.960 1.00 0.00 C ATOM 83 CZ3 TRP A 10 11.827 -13.274 -6.269 1.00 0.00 C ATOM 84 CH2 TRP A 10 12.621 -12.652 -7.240 1.00 0.00 C ATOM 0 H TRP A 10 10.875 -8.801 -1.059 1.00 0.00 H new ATOM 0 HA TRP A 10 9.817 -10.825 -2.977 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.399 -10.625 -1.371 1.00 0.00 H new ATOM 0 HB3 TRP A 10 11.829 -12.167 -1.977 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.604 -8.954 -3.099 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.376 -9.091 -5.624 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.082 -13.223 -4.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 13.920 -10.996 -7.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.301 -14.184 -6.518 1.00 0.00 H new ATOM 0 HH2 TRP A 10 12.700 -13.093 -8.223 1.00 0.00 H new ATOM 85 N GLY A 11 8.956 -12.466 -1.266 1.00 0.00 N ATOM 86 CA GLY A 11 8.206 -13.281 -0.292 1.00 0.00 C ATOM 87 C GLY A 11 7.642 -14.579 -0.903 1.00 0.00 C ATOM 88 O GLY A 11 6.875 -14.532 -1.870 1.00 0.00 O ATOM 0 H GLY A 11 8.955 -12.842 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.860 -13.533 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.385 -12.690 0.113 1.00 0.00 H new ATOM 89 N ALA A 12 7.988 -15.728 -0.295 1.00 0.00 N ATOM 90 CA ALA A 12 7.534 -17.069 -0.750 1.00 0.00 C ATOM 91 C ALA A 12 6.072 -17.398 -0.339 1.00 0.00 C ATOM 92 O ALA A 12 5.748 -17.392 0.851 1.00 0.00 O ATOM 93 CB ALA A 12 8.472 -18.137 -0.148 1.00 0.00 C ATOM 0 H ALA A 12 8.591 -15.761 0.527 1.00 0.00 H new ATOM 0 HA ALA A 12 7.566 -17.067 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.152 -19.127 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.493 -17.957 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.435 -18.082 0.940 1.00 0.00 H new ATOM 94 N LEU A 13 5.240 -17.739 -1.342 1.00 0.00 N ATOM 95 CA LEU A 13 3.784 -18.079 -1.228 1.00 0.00 C ATOM 96 C LEU A 13 3.407 -18.948 0.018 1.00 0.00 C ATOM 97 O LEU A 13 4.105 -19.907 0.372 1.00 0.00 O ATOM 98 CB LEU A 13 3.338 -18.643 -2.615 1.00 0.00 C ATOM 99 CG LEU A 13 3.051 -20.153 -2.817 1.00 0.00 C ATOM 100 CD1 LEU A 13 1.635 -20.590 -2.401 1.00 0.00 C ATOM 101 CD2 LEU A 13 3.220 -20.522 -4.298 1.00 0.00 C ATOM 0 H LEU A 13 5.568 -17.791 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 13 3.205 -17.182 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.433 -18.107 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.110 -18.368 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 13 3.765 -20.667 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.519 -21.660 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.484 -20.376 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.898 -20.044 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.017 -21.584 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.523 -19.939 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.241 -20.304 -4.613 1.00 0.00 H new ATOM 102 N GLY A 14 2.356 -18.519 0.715 1.00 0.00 N ATOM 103 CA GLY A 14 2.258 -18.683 2.189 1.00 0.00 C ATOM 104 C GLY A 14 2.819 -17.423 2.887 1.00 0.00 C ATOM 105 O GLY A 14 3.888 -17.525 3.498 1.00 0.00 O ATOM 0 H GLY A 14 1.552 -18.053 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.219 -18.841 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.815 -19.565 2.505 1.00 0.00 H new ATOM 106 N GLN A 15 2.183 -16.236 2.709 1.00 0.00 N ATOM 107 CA GLN A 15 2.921 -14.939 2.893 1.00 0.00 C ATOM 108 C GLN A 15 2.059 -13.666 3.151 1.00 0.00 C ATOM 109 O GLN A 15 1.234 -13.282 2.313 1.00 0.00 O ATOM 110 CB GLN A 15 3.835 -14.667 1.660 1.00 0.00 C ATOM 111 CG GLN A 15 4.931 -13.592 1.843 1.00 0.00 C ATOM 112 CD GLN A 15 5.992 -13.838 2.935 1.00 0.00 C ATOM 113 OE1 GLN A 15 6.017 -13.150 3.953 1.00 0.00 O ATOM 114 NE2 GLN A 15 6.884 -14.795 2.753 1.00 0.00 N ATOM 0 H GLN A 15 1.201 -16.139 2.449 1.00 0.00 H new ATOM 0 HA GLN A 15 3.484 -15.097 3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.318 -15.603 1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.202 -14.371 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.449 -13.474 0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.439 -12.643 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.858 -15.362 1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.599 -14.967 3.460 1.00 0.00 H new ATOM 115 N ASP A 16 2.348 -12.968 4.272 1.00 0.00 N ATOM 116 CA ASP A 16 1.882 -11.572 4.527 1.00 0.00 C ATOM 117 C ASP A 16 2.915 -10.556 3.952 1.00 0.00 C ATOM 118 O ASP A 16 4.105 -10.641 4.282 1.00 0.00 O ATOM 119 CB ASP A 16 1.749 -11.254 6.045 1.00 0.00 C ATOM 120 CG ASP A 16 0.693 -12.007 6.859 1.00 0.00 C ATOM 121 OD1 ASP A 16 -0.497 -11.631 6.808 1.00 0.00 O ATOM 122 OD2 ASP A 16 1.060 -12.965 7.574 1.00 0.00 O ATOM 0 H ASP A 16 2.911 -13.351 5.031 1.00 0.00 H new ATOM 0 HA ASP A 16 0.906 -11.486 4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.718 -11.438 6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.546 -10.188 6.144 1.00 0.00 H new ATOM 123 N ILE A 17 2.457 -9.561 3.166 1.00 0.00 N ATOM 124 CA ILE A 17 3.294 -8.384 2.773 1.00 0.00 C ATOM 125 C ILE A 17 2.411 -7.099 2.901 1.00 0.00 C ATOM 126 O ILE A 17 1.302 -7.045 2.355 1.00 0.00 O ATOM 127 CB ILE A 17 3.915 -8.515 1.332 1.00 0.00 C ATOM 128 CG1 ILE A 17 4.787 -9.774 1.062 1.00 0.00 C ATOM 129 CG2 ILE A 17 4.690 -7.241 0.891 1.00 0.00 C ATOM 130 CD1 ILE A 17 6.138 -9.906 1.789 1.00 0.00 C ATOM 0 H ILE A 17 1.511 -9.539 2.785 1.00 0.00 H new ATOM 0 HA ILE A 17 4.151 -8.327 3.444 1.00 0.00 H new ATOM 0 HB ILE A 17 3.023 -8.640 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.189 -10.650 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.982 -9.818 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.095 -7.390 -0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.013 -6.387 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.506 -7.052 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.621 -10.837 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.778 -9.064 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.973 -9.910 2.866 1.00 0.00 H new ATOM 131 N ASN A 18 2.962 -6.042 3.538 1.00 0.00 N ATOM 132 CA ASN A 18 2.344 -4.685 3.573 1.00 0.00 C ATOM 133 C ASN A 18 2.999 -3.718 2.532 1.00 0.00 C ATOM 134 O ASN A 18 4.172 -3.872 2.166 1.00 0.00 O ATOM 135 CB ASN A 18 2.271 -4.177 5.056 1.00 0.00 C ATOM 136 CG ASN A 18 3.006 -2.884 5.473 1.00 0.00 C ATOM 137 OD1 ASN A 18 2.611 -1.772 5.123 1.00 0.00 O ATOM 138 ND2 ASN A 18 4.078 -3.008 6.238 1.00 0.00 N ATOM 0 H ASN A 18 3.846 -6.099 4.043 1.00 0.00 H new ATOM 0 HA ASN A 18 1.308 -4.727 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.217 -4.042 5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.645 -4.980 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.585 -2.178 6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.397 -3.934 6.523 1.00 0.00 H new ATOM 139 N LEU A 19 2.241 -2.684 2.115 1.00 0.00 N ATOM 140 CA LEU A 19 2.772 -1.545 1.310 1.00 0.00 C ATOM 141 C LEU A 19 2.665 -0.242 2.139 1.00 0.00 C ATOM 142 O LEU A 19 1.625 0.057 2.728 1.00 0.00 O ATOM 143 CB LEU A 19 2.065 -1.401 -0.068 1.00 0.00 C ATOM 144 CG LEU A 19 2.196 -2.614 -1.024 1.00 0.00 C ATOM 145 CD1 LEU A 19 1.328 -2.410 -2.265 1.00 0.00 C ATOM 146 CD2 LEU A 19 3.657 -2.888 -1.444 1.00 0.00 C ATOM 0 H LEU A 19 1.245 -2.607 2.322 1.00 0.00 H new ATOM 0 HA LEU A 19 3.819 -1.749 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.006 -1.213 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.467 -0.521 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 19 1.849 -3.487 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.431 -3.270 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.285 -2.305 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.648 -1.509 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.688 -3.748 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.058 -2.014 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.257 -3.095 -0.558 1.00 0.00 H new ATOM 147 N ASP A 20 3.765 0.525 2.190 1.00 0.00 N ATOM 148 CA ASP A 20 3.872 1.758 3.019 1.00 0.00 C ATOM 149 C ASP A 20 5.042 2.620 2.449 1.00 0.00 C ATOM 150 O ASP A 20 6.123 2.083 2.170 1.00 0.00 O ATOM 151 CB ASP A 20 4.054 1.470 4.538 1.00 0.00 C ATOM 152 CG ASP A 20 5.339 0.752 4.992 1.00 0.00 C ATOM 153 OD1 ASP A 20 5.472 -0.468 4.757 1.00 0.00 O ATOM 154 OD2 ASP A 20 6.224 1.413 5.583 1.00 0.00 O ATOM 0 H ASP A 20 4.612 0.316 1.661 1.00 0.00 H new ATOM 0 HA ASP A 20 2.931 2.304 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.999 2.422 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.204 0.873 4.868 1.00 0.00 H new ATOM 155 N ILE A 21 4.853 3.946 2.320 1.00 0.00 N ATOM 156 CA ILE A 21 5.942 4.885 1.894 1.00 0.00 C ATOM 157 C ILE A 21 6.325 5.885 3.040 1.00 0.00 C ATOM 158 O ILE A 21 5.492 6.723 3.387 1.00 0.00 O ATOM 159 CB ILE A 21 5.687 5.651 0.542 1.00 0.00 C ATOM 160 CG1 ILE A 21 4.261 6.249 0.352 1.00 0.00 C ATOM 161 CG2 ILE A 21 6.118 4.793 -0.666 1.00 0.00 C ATOM 162 CD1 ILE A 21 4.113 7.224 -0.825 1.00 0.00 C ATOM 0 H ILE A 21 3.960 4.405 2.502 1.00 0.00 H new ATOM 0 HA ILE A 21 6.789 4.230 1.689 1.00 0.00 H new ATOM 0 HB ILE A 21 6.323 6.534 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.556 5.429 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.976 6.765 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.932 5.344 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.181 4.563 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.546 3.865 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.085 7.584 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.787 8.069 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.361 6.712 -1.755 1.00 0.00 H new ATOM 163 N PRO A 22 7.587 5.918 3.568 1.00 0.00 N ATOM 164 CA PRO A 22 8.126 7.068 4.352 1.00 0.00 C ATOM 165 C PRO A 22 8.218 8.439 3.605 1.00 0.00 C ATOM 166 O PRO A 22 7.831 8.588 2.444 1.00 0.00 O ATOM 167 CB PRO A 22 9.517 6.532 4.784 1.00 0.00 C ATOM 168 CG PRO A 22 9.404 5.011 4.756 1.00 0.00 C ATOM 169 CD PRO A 22 8.499 4.757 3.556 1.00 0.00 C ATOM 0 HA PRO A 22 7.456 7.338 5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.297 6.879 4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.780 6.886 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.378 4.536 4.635 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.971 4.621 5.677 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.068 4.701 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.955 3.817 3.654 1.00 0.00 H new ATOM 170 N SER A 23 8.736 9.443 4.342 1.00 0.00 N ATOM 171 CA SER A 23 8.929 10.843 3.867 1.00 0.00 C ATOM 172 C SER A 23 7.593 11.626 3.720 1.00 0.00 C ATOM 173 O SER A 23 7.183 11.984 2.615 1.00 0.00 O ATOM 174 CB SER A 23 9.891 10.960 2.652 1.00 0.00 C ATOM 175 OG SER A 23 10.215 12.323 2.392 1.00 0.00 O ATOM 0 H SER A 23 9.041 9.308 5.306 1.00 0.00 H new ATOM 0 HA SER A 23 9.459 11.360 4.667 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.803 10.396 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.426 10.518 1.771 1.00 0.00 H new ATOM 0 HG SER A 23 10.822 12.374 1.625 1.00 0.00 H new ATOM 176 N PHE A 24 6.943 11.910 4.868 1.00 0.00 N ATOM 177 CA PHE A 24 5.697 12.717 4.920 1.00 0.00 C ATOM 178 C PHE A 24 5.990 14.027 5.701 1.00 0.00 C ATOM 179 O PHE A 24 6.250 13.996 6.909 1.00 0.00 O ATOM 180 CB PHE A 24 4.539 11.918 5.585 1.00 0.00 C ATOM 181 CG PHE A 24 4.008 10.633 4.901 1.00 0.00 C ATOM 182 CD1 PHE A 24 3.953 10.486 3.507 1.00 0.00 C ATOM 183 CD2 PHE A 24 3.494 9.610 5.709 1.00 0.00 C ATOM 184 CE1 PHE A 24 3.403 9.339 2.940 1.00 0.00 C ATOM 185 CE2 PHE A 24 2.934 8.468 5.140 1.00 0.00 C ATOM 186 CZ PHE A 24 2.884 8.338 3.755 1.00 0.00 C ATOM 0 H PHE A 24 7.262 11.590 5.783 1.00 0.00 H new ATOM 0 HA PHE A 24 5.376 12.958 3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.866 11.643 6.588 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.696 12.599 5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.340 11.267 2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.532 9.708 6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.379 9.226 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.540 7.686 5.772 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.441 7.458 3.312 1.00 0.00 H new ATOM 187 N GLN A 25 5.906 15.177 5.002 1.00 0.00 N ATOM 188 CA GLN A 25 5.976 16.522 5.643 1.00 0.00 C ATOM 189 C GLN A 25 4.571 16.928 6.173 1.00 0.00 C ATOM 190 O GLN A 25 3.557 16.773 5.479 1.00 0.00 O ATOM 191 CB GLN A 25 6.514 17.590 4.654 1.00 0.00 C ATOM 192 CG GLN A 25 8.013 17.450 4.293 1.00 0.00 C ATOM 193 CD GLN A 25 8.531 18.596 3.409 1.00 0.00 C ATOM 194 OE1 GLN A 25 8.871 19.673 3.896 1.00 0.00 O ATOM 195 NE2 GLN A 25 8.596 18.396 2.102 1.00 0.00 N ATOM 0 H GLN A 25 5.789 15.209 3.989 1.00 0.00 H new ATOM 0 HA GLN A 25 6.672 16.467 6.480 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.928 17.541 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.350 18.578 5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.600 17.414 5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.169 16.502 3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.312 17.499 1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.931 19.139 1.488 1.00 0.00 H new ATOM 196 N MET A 26 4.529 17.463 7.409 1.00 0.00 N ATOM 197 CA MET A 26 3.255 17.780 8.116 1.00 0.00 C ATOM 198 C MET A 26 2.479 18.979 7.483 1.00 0.00 C ATOM 199 O MET A 26 3.043 20.049 7.241 1.00 0.00 O ATOM 200 CB MET A 26 3.489 17.948 9.643 1.00 0.00 C ATOM 201 CG MET A 26 4.387 19.112 10.115 1.00 0.00 C ATOM 202 SD MET A 26 4.515 19.108 11.919 1.00 0.00 S ATOM 203 CE MET A 26 5.792 17.863 12.204 1.00 0.00 C ATOM 0 H MET A 26 5.365 17.689 7.948 1.00 0.00 H new ATOM 0 HA MET A 26 2.597 16.921 7.982 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.515 18.063 10.119 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.920 17.020 10.019 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.379 19.019 9.672 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.974 20.061 9.774 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.968 17.761 13.275 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.464 16.906 11.798 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.715 18.169 11.712 1.00 0.00 H new ATOM 204 N SER A 27 1.187 18.741 7.198 1.00 0.00 N ATOM 205 CA SER A 27 0.311 19.694 6.458 1.00 0.00 C ATOM 206 C SER A 27 -1.177 19.599 6.907 1.00 0.00 C ATOM 207 O SER A 27 -1.793 20.637 7.163 1.00 0.00 O ATOM 208 CB SER A 27 0.464 19.472 4.931 1.00 0.00 C ATOM 209 OG SER A 27 -0.274 20.439 4.193 1.00 0.00 O ATOM 0 H SER A 27 0.710 17.882 7.471 1.00 0.00 H new ATOM 0 HA SER A 27 0.635 20.707 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.517 19.528 4.657 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.119 18.471 4.670 1.00 0.00 H new ATOM 0 HG SER A 27 -0.158 20.276 3.234 1.00 0.00 H new ATOM 210 N ASP A 28 -1.759 18.377 6.957 1.00 0.00 N ATOM 211 CA ASP A 28 -3.211 18.132 7.203 1.00 0.00 C ATOM 212 C ASP A 28 -4.169 18.537 6.027 1.00 0.00 C ATOM 213 O ASP A 28 -5.279 19.026 6.265 1.00 0.00 O ATOM 214 CB ASP A 28 -3.642 18.592 8.632 1.00 0.00 C ATOM 215 CG ASP A 28 -4.866 17.866 9.205 1.00 0.00 C ATOM 216 OD1 ASP A 28 -4.715 16.724 9.694 1.00 0.00 O ATOM 217 OD2 ASP A 28 -5.982 18.429 9.172 1.00 0.00 O ATOM 0 H ASP A 28 -1.229 17.516 6.826 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.342 17.050 7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.802 18.449 9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.852 19.661 8.605 1.00 0.00 H new ATOM 218 N ASP A 29 -3.765 18.275 4.765 1.00 0.00 N ATOM 219 CA ASP A 29 -4.667 18.323 3.578 1.00 0.00 C ATOM 220 C ASP A 29 -4.222 17.197 2.595 1.00 0.00 C ATOM 221 O ASP A 29 -3.659 17.464 1.525 1.00 0.00 O ATOM 222 CB ASP A 29 -4.679 19.728 2.902 1.00 0.00 C ATOM 223 CG ASP A 29 -5.419 20.831 3.669 1.00 0.00 C ATOM 224 OD1 ASP A 29 -6.660 20.924 3.547 1.00 0.00 O ATOM 225 OD2 ASP A 29 -4.761 21.606 4.399 1.00 0.00 O ATOM 0 H ASP A 29 -2.804 18.023 4.533 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.697 18.152 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.648 20.046 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.131 19.632 1.915 1.00 0.00 H new ATOM 226 N ILE A 30 -4.464 15.921 2.972 1.00 0.00 N ATOM 227 CA ILE A 30 -4.016 14.730 2.195 1.00 0.00 C ATOM 228 C ILE A 30 -5.197 13.717 2.331 1.00 0.00 C ATOM 229 O ILE A 30 -5.410 13.148 3.408 1.00 0.00 O ATOM 230 CB ILE A 30 -2.617 14.162 2.657 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.456 15.212 2.642 1.00 0.00 C ATOM 232 CG2 ILE A 30 -2.220 12.936 1.798 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.124 14.793 3.284 1.00 0.00 C ATOM 0 H ILE A 30 -4.975 15.682 3.822 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.818 14.973 1.151 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.753 13.872 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.260 15.485 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.807 16.111 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.253 12.557 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.973 12.156 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.154 13.231 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.591 15.612 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.286 14.553 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.269 13.917 2.768 1.00 0.00 H new ATOM 234 N ASP A 31 -5.954 13.508 1.235 1.00 0.00 N ATOM 235 CA ASP A 31 -7.161 12.625 1.219 1.00 0.00 C ATOM 236 C ASP A 31 -6.898 11.283 0.478 1.00 0.00 C ATOM 237 O ASP A 31 -7.091 10.207 1.057 1.00 0.00 O ATOM 238 CB ASP A 31 -8.358 13.413 0.610 1.00 0.00 C ATOM 239 CG ASP A 31 -9.723 12.721 0.695 1.00 0.00 C ATOM 240 OD1 ASP A 31 -10.414 12.862 1.729 1.00 0.00 O ATOM 241 OD2 ASP A 31 -10.114 12.035 -0.275 1.00 0.00 O ATOM 0 H ASP A 31 -5.755 13.941 0.333 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.409 12.346 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.428 14.377 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.139 13.616 -0.438 1.00 0.00 H new ATOM 242 N ASP A 32 -6.535 11.357 -0.815 1.00 0.00 N ATOM 243 CA ASP A 32 -6.510 10.197 -1.736 1.00 0.00 C ATOM 244 C ASP A 32 -5.166 9.427 -1.625 1.00 0.00 C ATOM 245 O ASP A 32 -4.090 10.035 -1.640 1.00 0.00 O ATOM 246 CB ASP A 32 -6.716 10.732 -3.176 1.00 0.00 C ATOM 247 CG ASP A 32 -8.152 11.053 -3.594 1.00 0.00 C ATOM 248 OD1 ASP A 32 -8.734 12.033 -3.076 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.695 10.334 -4.459 1.00 0.00 O ATOM 0 H ASP A 32 -6.247 12.230 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.303 9.496 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.119 11.636 -3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.316 9.995 -3.873 1.00 0.00 H new ATOM 250 N ILE A 33 -5.246 8.087 -1.516 1.00 0.00 N ATOM 251 CA ILE A 33 -4.038 7.219 -1.354 1.00 0.00 C ATOM 252 C ILE A 33 -4.248 6.009 -2.302 1.00 0.00 C ATOM 253 O ILE A 33 -5.201 5.246 -2.151 1.00 0.00 O ATOM 254 CB ILE A 33 -3.726 6.731 0.109 1.00 0.00 C ATOM 255 CG1 ILE A 33 -3.790 7.795 1.245 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.385 5.946 0.142 1.00 0.00 C ATOM 257 CD1 ILE A 33 -2.667 8.840 1.312 1.00 0.00 C ATOM 0 H ILE A 33 -6.126 7.572 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.162 7.819 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.563 6.076 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.737 8.327 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.813 7.266 2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.182 5.615 1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.455 5.079 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.576 6.593 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.845 9.512 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.709 8.337 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.648 9.414 0.385 1.00 0.00 H new ATOM 258 N LYS A 34 -3.330 5.830 -3.259 1.00 0.00 N ATOM 259 CA LYS A 34 -3.619 5.066 -4.498 1.00 0.00 C ATOM 260 C LYS A 34 -2.519 4.011 -4.725 1.00 0.00 C ATOM 261 O LYS A 34 -1.325 4.304 -4.610 1.00 0.00 O ATOM 262 CB LYS A 34 -3.636 6.042 -5.728 1.00 0.00 C ATOM 263 CG LYS A 34 -4.370 7.390 -5.625 1.00 0.00 C ATOM 264 CD LYS A 34 -5.899 7.403 -5.558 1.00 0.00 C ATOM 265 CE LYS A 34 -6.583 7.107 -6.906 1.00 0.00 C ATOM 266 NZ LYS A 34 -8.020 7.421 -6.830 1.00 0.00 N ATOM 0 H LYS A 34 -2.381 6.199 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.588 4.578 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.599 6.256 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.070 5.499 -6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.998 7.899 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.074 7.992 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.227 6.666 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.229 8.378 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.116 7.696 -7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.446 6.058 -7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.459 7.265 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.473 6.805 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.144 8.415 -6.551 1.00 0.00 H new ATOM 267 N TRP A 35 -2.945 2.795 -5.094 1.00 0.00 N ATOM 268 CA TRP A 35 -2.012 1.711 -5.488 1.00 0.00 C ATOM 269 C TRP A 35 -2.601 1.038 -6.765 1.00 0.00 C ATOM 270 O TRP A 35 -3.638 0.361 -6.745 1.00 0.00 O ATOM 271 CB TRP A 35 -1.710 0.740 -4.318 1.00 0.00 C ATOM 272 CG TRP A 35 -0.805 1.318 -3.206 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.200 1.897 -2.001 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.551 1.245 -3.104 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.140 2.136 -1.114 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.956 1.747 -1.844 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.475 0.693 -3.980 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.323 1.725 -1.480 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.805 0.600 -3.591 1.00 0.00 C ATOM 280 CH2 TRP A 35 3.223 1.113 -2.356 1.00 0.00 C ATOM 0 H TRP A 35 -3.929 2.530 -5.130 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.027 2.108 -5.732 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -2.654 0.428 -3.872 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.237 -0.155 -4.722 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.227 2.139 -1.772 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.175 2.506 -0.164 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.164 0.340 -4.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.660 2.167 -0.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.523 0.128 -4.246 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.263 1.034 -2.075 1.00 0.00 H new ATOM 281 N GLU A 36 -1.893 1.313 -7.872 1.00 0.00 N ATOM 282 CA GLU A 36 -2.185 0.826 -9.257 1.00 0.00 C ATOM 283 C GLU A 36 -1.156 -0.288 -9.645 1.00 0.00 C ATOM 284 O GLU A 36 -0.120 -0.394 -8.988 1.00 0.00 O ATOM 285 CB GLU A 36 -2.072 2.102 -10.145 1.00 0.00 C ATOM 286 CG GLU A 36 -2.457 1.946 -11.630 1.00 0.00 C ATOM 287 CD GLU A 36 -2.410 3.258 -12.415 1.00 0.00 C ATOM 288 OE1 GLU A 36 -1.298 3.752 -12.715 1.00 0.00 O ATOM 289 OE2 GLU A 36 -3.487 3.795 -12.753 1.00 0.00 O ATOM 0 H GLU A 36 -1.063 1.905 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.167 0.367 -9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.702 2.877 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.044 2.462 -10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.784 1.228 -12.098 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.462 1.529 -11.694 1.00 0.00 H new ATOM 290 N LYS A 37 -1.384 -1.121 -10.699 1.00 0.00 N ATOM 291 CA LYS A 37 -0.365 -2.134 -11.130 1.00 0.00 C ATOM 292 C LYS A 37 0.266 -1.778 -12.506 1.00 0.00 C ATOM 293 O LYS A 37 -0.423 -1.377 -13.447 1.00 0.00 O ATOM 294 CB LYS A 37 -0.828 -3.605 -10.968 1.00 0.00 C ATOM 295 CG LYS A 37 -2.059 -4.103 -11.754 1.00 0.00 C ATOM 296 CD LYS A 37 -2.332 -5.619 -11.626 1.00 0.00 C ATOM 297 CE LYS A 37 -2.574 -6.141 -10.190 1.00 0.00 C ATOM 298 NZ LYS A 37 -3.025 -7.545 -10.199 1.00 0.00 N ATOM 0 H LYS A 37 -2.239 -1.117 -11.256 1.00 0.00 H new ATOM 0 HA LYS A 37 0.459 -2.070 -10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.013 -4.244 -11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.027 -3.770 -9.909 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.938 -3.558 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.924 -3.859 -12.808 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.203 -5.865 -12.233 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.485 -6.159 -12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.655 -6.056 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.321 -5.520 -9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.179 -7.866 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.915 -7.620 -10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.300 -8.140 -10.649 1.00 0.00 H new ATOM 299 N THR A 38 1.606 -1.923 -12.601 1.00 0.00 N ATOM 300 CA THR A 38 2.414 -1.457 -13.775 1.00 0.00 C ATOM 301 C THR A 38 2.245 -2.216 -15.135 1.00 0.00 C ATOM 302 O THR A 38 2.745 -1.715 -16.148 1.00 0.00 O ATOM 303 CB THR A 38 3.931 -1.385 -13.408 1.00 0.00 C ATOM 304 OG1 THR A 38 4.454 -2.681 -13.141 1.00 0.00 O ATOM 305 CG2 THR A 38 4.278 -0.466 -12.225 1.00 0.00 C ATOM 0 H THR A 38 2.168 -2.364 -11.873 1.00 0.00 H new ATOM 0 HA THR A 38 1.988 -0.473 -13.972 1.00 0.00 H new ATOM 0 HB THR A 38 4.393 -0.945 -14.292 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.405 -2.610 -12.915 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.354 -0.486 -12.052 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.966 0.553 -12.453 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.760 -0.813 -11.331 1.00 0.00 H new ATOM 306 N SER A 39 1.555 -3.374 -15.173 1.00 0.00 N ATOM 307 CA SER A 39 1.313 -4.166 -16.418 1.00 0.00 C ATOM 308 C SER A 39 0.679 -3.371 -17.605 1.00 0.00 C ATOM 309 O SER A 39 1.271 -3.355 -18.687 1.00 0.00 O ATOM 310 CB SER A 39 0.492 -5.433 -16.081 1.00 0.00 C ATOM 311 OG SER A 39 1.158 -6.257 -15.130 1.00 0.00 O ATOM 0 H SER A 39 1.143 -3.797 -14.341 1.00 0.00 H new ATOM 0 HA SER A 39 2.299 -4.445 -16.789 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.483 -5.141 -15.690 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.312 -6.003 -16.993 1.00 0.00 H new ATOM 0 HG SER A 39 0.609 -7.047 -14.940 1.00 0.00 H new ATOM 312 N ASP A 40 -0.463 -2.681 -17.393 1.00 0.00 N ATOM 313 CA ASP A 40 -0.952 -1.623 -18.330 1.00 0.00 C ATOM 314 C ASP A 40 -1.737 -0.482 -17.595 1.00 0.00 C ATOM 315 O ASP A 40 -2.816 -0.081 -18.039 1.00 0.00 O ATOM 316 CB ASP A 40 -1.694 -2.244 -19.556 1.00 0.00 C ATOM 317 CG ASP A 40 -2.986 -3.032 -19.279 1.00 0.00 C ATOM 318 OD1 ASP A 40 -2.904 -4.245 -18.987 1.00 0.00 O ATOM 319 OD2 ASP A 40 -4.086 -2.439 -19.351 1.00 0.00 O ATOM 0 H ASP A 40 -1.068 -2.831 -16.586 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.081 -1.117 -18.747 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.934 -1.437 -20.248 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.998 -2.908 -20.069 1.00 0.00 H new ATOM 320 N LYS A 41 -1.192 0.061 -16.476 1.00 0.00 N ATOM 321 CA LYS A 41 -1.883 1.040 -15.580 1.00 0.00 C ATOM 322 C LYS A 41 -3.267 0.533 -15.080 1.00 0.00 C ATOM 323 O LYS A 41 -4.320 0.989 -15.537 1.00 0.00 O ATOM 324 CB LYS A 41 -1.914 2.489 -16.141 1.00 0.00 C ATOM 325 CG LYS A 41 -0.537 3.184 -16.153 1.00 0.00 C ATOM 326 CD LYS A 41 -0.599 4.666 -16.589 1.00 0.00 C ATOM 327 CE LYS A 41 0.762 5.390 -16.582 1.00 0.00 C ATOM 328 NZ LYS A 41 1.279 5.641 -15.221 1.00 0.00 N ATOM 0 H LYS A 41 -0.249 -0.168 -16.162 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.259 1.107 -14.689 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.308 2.466 -17.157 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.605 3.084 -15.545 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.100 3.125 -15.156 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.129 2.643 -16.826 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.020 4.719 -17.593 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.283 5.198 -15.928 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.487 4.793 -17.135 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.664 6.340 -17.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.195 6.129 -15.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.604 6.235 -14.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.402 4.736 -14.724 1.00 0.00 H new ATOM 329 N LYS A 42 -3.218 -0.454 -14.172 1.00 0.00 N ATOM 330 CA LYS A 42 -4.402 -1.248 -13.777 1.00 0.00 C ATOM 331 C LYS A 42 -4.840 -0.873 -12.348 1.00 0.00 C ATOM 332 O LYS A 42 -4.214 -1.297 -11.373 1.00 0.00 O ATOM 333 CB LYS A 42 -4.138 -2.759 -14.032 1.00 0.00 C ATOM 334 CG LYS A 42 -5.357 -3.712 -13.944 1.00 0.00 C ATOM 335 CD LYS A 42 -6.568 -3.431 -14.874 1.00 0.00 C ATOM 336 CE LYS A 42 -6.312 -3.283 -16.390 1.00 0.00 C ATOM 337 NZ LYS A 42 -5.799 -4.512 -17.027 1.00 0.00 N ATOM 0 H LYS A 42 -2.362 -0.727 -13.690 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.263 -1.007 -14.400 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.698 -2.863 -15.024 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.391 -3.098 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.006 -4.723 -14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.716 -3.701 -12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.287 -4.239 -14.736 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.047 -2.515 -14.527 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.241 -2.991 -16.880 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.598 -2.475 -16.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.650 -4.341 -18.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.897 -4.781 -16.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.488 -5.281 -16.903 1.00 0.00 H new ATOM 338 N LYS A 43 -5.925 -0.079 -12.243 1.00 0.00 N ATOM 339 CA LYS A 43 -6.458 0.414 -10.945 1.00 0.00 C ATOM 340 C LYS A 43 -7.067 -0.762 -10.132 1.00 0.00 C ATOM 341 O LYS A 43 -8.185 -1.230 -10.367 1.00 0.00 O ATOM 342 CB LYS A 43 -7.466 1.569 -11.197 1.00 0.00 C ATOM 343 CG LYS A 43 -7.768 2.426 -9.946 1.00 0.00 C ATOM 344 CD LYS A 43 -8.813 3.538 -10.172 1.00 0.00 C ATOM 345 CE LYS A 43 -10.267 3.029 -10.103 1.00 0.00 C ATOM 346 NZ LYS A 43 -11.238 4.110 -10.332 1.00 0.00 N ATOM 0 H LYS A 43 -6.459 0.241 -13.051 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.650 0.823 -10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.073 2.216 -11.981 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.400 1.148 -11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.119 1.771 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.840 2.881 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.672 4.318 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.641 3.996 -11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.413 2.246 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.448 2.579 -9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.203 3.727 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.116 4.846 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.082 4.523 -11.274 1.00 0.00 H new ATOM 347 N ILE A 44 -6.232 -1.241 -9.206 1.00 0.00 N ATOM 348 CA ILE A 44 -6.459 -2.465 -8.398 1.00 0.00 C ATOM 349 C ILE A 44 -7.146 -2.085 -7.057 1.00 0.00 C ATOM 350 O ILE A 44 -8.222 -2.630 -6.783 1.00 0.00 O ATOM 351 CB ILE A 44 -5.150 -3.334 -8.346 1.00 0.00 C ATOM 352 CG1 ILE A 44 -5.270 -4.660 -7.537 1.00 0.00 C ATOM 353 CG2 ILE A 44 -3.865 -2.582 -7.918 1.00 0.00 C ATOM 354 CD1 ILE A 44 -6.181 -5.722 -8.164 1.00 0.00 C ATOM 0 H ILE A 44 -5.349 -0.781 -8.983 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.174 -3.145 -8.861 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.039 -3.592 -9.399 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.274 -5.084 -7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.642 -4.427 -6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.022 -3.274 -7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.667 -1.771 -8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.000 -2.171 -6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.200 -6.607 -7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.191 -5.324 -8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.801 -5.991 -9.149 1.00 0.00 H new ATOM 355 N ALA A 45 -6.591 -1.139 -6.259 1.00 0.00 N ATOM 356 CA ALA A 45 -7.352 -0.512 -5.154 1.00 0.00 C ATOM 357 C ALA A 45 -6.991 0.997 -5.019 1.00 0.00 C ATOM 358 O ALA A 45 -5.944 1.468 -5.483 1.00 0.00 O ATOM 359 CB ALA A 45 -7.120 -1.363 -3.895 1.00 0.00 C ATOM 0 H ALA A 45 -5.634 -0.799 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.425 -0.502 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.667 -0.930 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.473 -2.379 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.056 -1.384 -3.661 1.00 0.00 H new ATOM 360 N GLN A 46 -7.867 1.763 -4.333 1.00 0.00 N ATOM 361 CA GLN A 46 -7.646 3.209 -4.089 1.00 0.00 C ATOM 362 C GLN A 46 -8.537 3.712 -2.923 1.00 0.00 C ATOM 363 O GLN A 46 -9.656 3.247 -2.692 1.00 0.00 O ATOM 364 CB GLN A 46 -7.811 4.074 -5.373 1.00 0.00 C ATOM 365 CG GLN A 46 -9.146 4.060 -6.155 1.00 0.00 C ATOM 366 CD GLN A 46 -10.310 4.860 -5.535 1.00 0.00 C ATOM 367 OE1 GLN A 46 -10.130 5.925 -4.946 1.00 0.00 O ATOM 368 NE2 GLN A 46 -11.536 4.388 -5.667 1.00 0.00 N ATOM 0 H GLN A 46 -8.736 1.405 -3.937 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.604 3.329 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.611 5.108 -5.094 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.026 3.774 -6.068 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.960 4.448 -7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.465 3.024 -6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.693 3.506 -6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.326 4.906 -5.282 1.00 0.00 H new ATOM 369 N PHE A 47 -8.026 4.747 -2.243 1.00 0.00 N ATOM 370 CA PHE A 47 -8.796 5.559 -1.273 1.00 0.00 C ATOM 371 C PHE A 47 -9.225 6.850 -2.014 1.00 0.00 C ATOM 372 O PHE A 47 -8.372 7.543 -2.597 1.00 0.00 O ATOM 373 CB PHE A 47 -7.947 6.075 -0.080 1.00 0.00 C ATOM 374 CG PHE A 47 -7.293 5.156 0.956 1.00 0.00 C ATOM 375 CD1 PHE A 47 -6.549 4.023 0.611 1.00 0.00 C ATOM 376 CD2 PHE A 47 -7.197 5.678 2.246 1.00 0.00 C ATOM 377 CE1 PHE A 47 -5.706 3.431 1.554 1.00 0.00 C ATOM 378 CE2 PHE A 47 -6.355 5.086 3.182 1.00 0.00 C ATOM 379 CZ PHE A 47 -5.615 3.963 2.836 1.00 0.00 C ATOM 0 H PHE A 47 -7.058 5.052 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.603 4.928 -0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.143 6.671 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.587 6.759 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.626 3.607 -0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.779 6.546 2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.125 2.560 1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.277 5.499 4.177 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.966 3.501 3.565 1.00 0.00 H new ATOM 380 N ARG A 48 -10.508 7.220 -1.841 1.00 0.00 N ATOM 381 CA ARG A 48 -10.940 8.622 -2.023 1.00 0.00 C ATOM 382 C ARG A 48 -11.790 9.060 -0.790 1.00 0.00 C ATOM 383 O ARG A 48 -11.194 9.321 0.262 1.00 0.00 O ATOM 384 CB ARG A 48 -11.516 8.832 -3.464 1.00 0.00 C ATOM 385 CG ARG A 48 -11.912 10.283 -3.840 1.00 0.00 C ATOM 386 CD ARG A 48 -12.443 10.460 -5.275 1.00 0.00 C ATOM 387 NE ARG A 48 -11.377 10.501 -6.311 1.00 0.00 N ATOM 388 CZ ARG A 48 -11.124 9.524 -7.204 1.00 0.00 C ATOM 389 NH1 ARG A 48 -11.731 8.341 -7.210 1.00 0.00 N ATOM 390 NH2 ARG A 48 -10.210 9.761 -8.130 1.00 0.00 N ATOM 0 H ARG A 48 -11.256 6.578 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.114 9.333 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.775 8.482 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.395 8.197 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.674 10.629 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.043 10.927 -3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.126 9.642 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.022 11.382 -5.327 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.791 11.335 -6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.439 8.127 -6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.489 7.647 -7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.725 10.658 -8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.990 9.047 -8.824 1.00 0.00 H new ATOM 391 N LYS A 49 -13.125 9.238 -0.903 1.00 0.00 N ATOM 392 CA LYS A 49 -13.826 10.305 -0.129 1.00 0.00 C ATOM 393 C LYS A 49 -15.300 9.908 0.170 1.00 0.00 C ATOM 394 O LYS A 49 -16.126 9.810 -0.743 1.00 0.00 O ATOM 395 CB LYS A 49 -13.740 11.632 -0.940 1.00 0.00 C ATOM 396 CG LYS A 49 -13.894 12.918 -0.104 1.00 0.00 C ATOM 397 CD LYS A 49 -13.902 14.193 -0.978 1.00 0.00 C ATOM 398 CE LYS A 49 -13.565 15.499 -0.232 1.00 0.00 C ATOM 399 NZ LYS A 49 -12.132 15.590 0.122 1.00 0.00 N ATOM 0 H LYS A 49 -13.731 8.678 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.343 10.440 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.780 11.664 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.513 11.621 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.821 12.867 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.078 12.980 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.187 14.062 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.887 14.297 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.838 16.351 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.166 15.562 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.954 16.485 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.875 14.792 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.558 15.557 -0.744 1.00 0.00 H new ATOM 400 N GLU A 50 -15.618 9.736 1.472 1.00 0.00 N ATOM 401 CA GLU A 50 -17.004 9.539 1.993 1.00 0.00 C ATOM 402 C GLU A 50 -17.636 8.203 1.504 1.00 0.00 C ATOM 403 O GLU A 50 -18.308 8.167 0.467 1.00 0.00 O ATOM 404 CB GLU A 50 -17.950 10.766 1.797 1.00 0.00 C ATOM 405 CG GLU A 50 -17.532 12.097 2.469 1.00 0.00 C ATOM 406 CD GLU A 50 -17.576 12.079 4.001 1.00 0.00 C ATOM 407 OE1 GLU A 50 -18.664 12.290 4.578 1.00 0.00 O ATOM 408 OE2 GLU A 50 -16.518 11.851 4.631 1.00 0.00 O ATOM 0 H GLU A 50 -14.913 9.729 2.209 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.889 9.458 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.053 10.946 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.937 10.494 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.520 12.348 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.186 12.892 2.109 1.00 0.00 H new ATOM 409 N LYS A 51 -17.380 7.106 2.245 1.00 0.00 N ATOM 410 CA LYS A 51 -17.774 5.712 1.842 1.00 0.00 C ATOM 411 C LYS A 51 -17.132 4.992 0.613 1.00 0.00 C ATOM 412 O LYS A 51 -17.456 3.848 0.274 1.00 0.00 O ATOM 413 CB LYS A 51 -19.320 5.534 1.851 1.00 0.00 C ATOM 414 CG LYS A 51 -19.890 4.758 3.057 1.00 0.00 C ATOM 415 CD LYS A 51 -21.393 4.433 2.903 1.00 0.00 C ATOM 416 CE LYS A 51 -22.023 3.622 4.054 1.00 0.00 C ATOM 417 NZ LYS A 51 -21.493 2.245 4.153 1.00 0.00 N ATOM 0 H LYS A 51 -16.895 7.146 3.142 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.275 5.164 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.782 6.521 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.615 5.019 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.333 3.829 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.741 5.344 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.940 5.370 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.533 3.880 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.846 4.141 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.103 3.580 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.954 1.751 4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.685 1.735 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.467 2.279 4.318 1.00 0.00 H new ATOM 418 N GLU A 52 -16.206 5.699 0.003 1.00 0.00 N ATOM 419 CA GLU A 52 -15.584 5.344 -1.300 1.00 0.00 C ATOM 420 C GLU A 52 -14.146 4.822 -1.045 1.00 0.00 C ATOM 421 O GLU A 52 -13.197 5.603 -0.904 1.00 0.00 O ATOM 422 CB GLU A 52 -15.598 6.556 -2.280 1.00 0.00 C ATOM 423 CG GLU A 52 -16.975 7.050 -2.778 1.00 0.00 C ATOM 424 CD GLU A 52 -17.729 6.051 -3.662 1.00 0.00 C ATOM 425 OE1 GLU A 52 -17.516 6.046 -4.894 1.00 0.00 O ATOM 426 OE2 GLU A 52 -18.544 5.265 -3.126 1.00 0.00 O ATOM 0 H GLU A 52 -15.839 6.567 0.393 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.164 4.555 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.097 7.391 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.999 6.292 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.594 7.290 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.834 7.975 -3.337 1.00 0.00 H new ATOM 427 N THR A 53 -14.007 3.484 -0.984 1.00 0.00 N ATOM 428 CA THR A 53 -12.694 2.803 -0.853 1.00 0.00 C ATOM 429 C THR A 53 -12.795 1.503 -1.701 1.00 0.00 C ATOM 430 O THR A 53 -13.425 0.521 -1.287 1.00 0.00 O ATOM 431 CB THR A 53 -12.299 2.533 0.635 1.00 0.00 C ATOM 432 OG1 THR A 53 -12.298 3.748 1.376 1.00 0.00 O ATOM 433 CG2 THR A 53 -10.903 1.903 0.809 1.00 0.00 C ATOM 0 H THR A 53 -14.798 2.841 -1.024 1.00 0.00 H new ATOM 0 HA THR A 53 -11.889 3.439 -1.221 1.00 0.00 H new ATOM 0 HB THR A 53 -13.046 1.827 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.051 3.564 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.704 1.747 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.868 0.946 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.148 2.570 0.392 1.00 0.00 H new ATOM 434 N PHE A 54 -12.115 1.494 -2.863 1.00 0.00 N ATOM 435 CA PHE A 54 -11.844 0.254 -3.640 1.00 0.00 C ATOM 436 C PHE A 54 -10.790 -0.630 -2.909 1.00 0.00 C ATOM 437 O PHE A 54 -9.784 -0.127 -2.391 1.00 0.00 O ATOM 438 CB PHE A 54 -11.353 0.616 -5.077 1.00 0.00 C ATOM 439 CG PHE A 54 -12.402 0.527 -6.201 1.00 0.00 C ATOM 440 CD1 PHE A 54 -13.402 1.500 -6.331 1.00 0.00 C ATOM 441 CD2 PHE A 54 -12.330 -0.509 -7.142 1.00 0.00 C ATOM 442 CE1 PHE A 54 -14.301 1.446 -7.392 1.00 0.00 C ATOM 443 CE2 PHE A 54 -13.234 -0.560 -8.201 1.00 0.00 C ATOM 444 CZ PHE A 54 -14.216 0.416 -8.328 1.00 0.00 C ATOM 0 H PHE A 54 -11.737 2.338 -3.294 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.770 -0.315 -3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.958 1.632 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.523 -0.044 -5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.475 2.296 -5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.571 -1.271 -7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.065 2.203 -7.490 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.172 -1.359 -8.925 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.913 0.376 -9.152 1.00 0.00 H new ATOM 445 N LYS A 55 -11.057 -1.946 -2.894 1.00 0.00 N ATOM 446 CA LYS A 55 -10.189 -2.969 -2.242 1.00 0.00 C ATOM 447 C LYS A 55 -9.878 -4.165 -3.193 1.00 0.00 C ATOM 448 O LYS A 55 -8.713 -4.551 -3.290 1.00 0.00 O ATOM 449 CB LYS A 55 -10.811 -3.479 -0.911 1.00 0.00 C ATOM 450 CG LYS A 55 -10.744 -2.473 0.263 1.00 0.00 C ATOM 451 CD LYS A 55 -11.377 -3.013 1.559 1.00 0.00 C ATOM 452 CE LYS A 55 -11.200 -2.050 2.748 1.00 0.00 C ATOM 453 NZ LYS A 55 -11.827 -2.574 3.975 1.00 0.00 N ATOM 0 H LYS A 55 -11.886 -2.344 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.245 -2.475 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.854 -3.739 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.301 -4.396 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.702 -2.216 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.251 -1.553 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.440 -3.190 1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.928 -3.975 1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.138 -1.883 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.638 -1.083 2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.687 -1.898 4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.845 -2.710 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.392 -3.485 4.225 1.00 0.00 H new ATOM 454 N GLU A 56 -10.900 -4.774 -3.842 1.00 0.00 N ATOM 455 CA GLU A 56 -10.770 -6.001 -4.690 1.00 0.00 C ATOM 456 C GLU A 56 -10.906 -7.326 -3.885 1.00 0.00 C ATOM 457 O GLU A 56 -11.789 -8.130 -4.193 1.00 0.00 O ATOM 458 CB GLU A 56 -9.608 -6.011 -5.737 1.00 0.00 C ATOM 459 CG GLU A 56 -9.771 -7.000 -6.915 1.00 0.00 C ATOM 460 CD GLU A 56 -10.912 -6.639 -7.873 1.00 0.00 C ATOM 461 OE1 GLU A 56 -10.734 -5.728 -8.709 1.00 0.00 O ATOM 462 OE2 GLU A 56 -11.994 -7.261 -7.784 1.00 0.00 O ATOM 0 H GLU A 56 -11.858 -4.426 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.650 -5.942 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.502 -5.005 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.678 -6.244 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.837 -7.040 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.946 -7.999 -6.517 1.00 0.00 H new ATOM 463 N LYS A 57 -10.034 -7.551 -2.878 1.00 0.00 N ATOM 464 CA LYS A 57 -10.138 -8.676 -1.913 1.00 0.00 C ATOM 465 C LYS A 57 -9.559 -10.001 -2.487 1.00 0.00 C ATOM 466 O LYS A 57 -10.250 -10.750 -3.188 1.00 0.00 O ATOM 467 CB LYS A 57 -11.540 -8.821 -1.249 1.00 0.00 C ATOM 468 CG LYS A 57 -11.644 -9.752 -0.017 1.00 0.00 C ATOM 469 CD LYS A 57 -10.847 -9.303 1.231 1.00 0.00 C ATOM 470 CE LYS A 57 -11.126 -10.104 2.520 1.00 0.00 C ATOM 471 NZ LYS A 57 -10.630 -11.492 2.470 1.00 0.00 N ATOM 0 H LYS A 57 -9.227 -6.951 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.491 -8.411 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.878 -7.828 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.237 -9.182 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.695 -9.844 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.302 -10.746 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.783 -9.371 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.066 -8.252 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.664 -9.592 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.200 -10.117 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.432 -12.150 2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.132 -11.650 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.976 -11.656 3.262 1.00 0.00 H new ATOM 472 N ASP A 58 -8.309 -10.299 -2.098 1.00 0.00 N ATOM 473 CA ASP A 58 -7.760 -11.672 -2.050 1.00 0.00 C ATOM 474 C ASP A 58 -7.867 -12.114 -0.569 1.00 0.00 C ATOM 475 O ASP A 58 -8.938 -12.513 -0.098 1.00 0.00 O ATOM 476 CB ASP A 58 -6.330 -11.703 -2.687 1.00 0.00 C ATOM 477 CG ASP A 58 -6.309 -11.863 -4.210 1.00 0.00 C ATOM 478 OD1 ASP A 58 -6.429 -13.009 -4.699 1.00 0.00 O ATOM 479 OD2 ASP A 58 -6.167 -10.846 -4.923 1.00 0.00 O ATOM 0 H ASP A 58 -7.640 -9.588 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.310 -12.396 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.811 -10.781 -2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.767 -12.523 -2.242 1.00 0.00 H new ATOM 480 N THR A 59 -6.780 -11.921 0.175 1.00 0.00 N ATOM 481 CA THR A 59 -6.842 -11.355 1.546 1.00 0.00 C ATOM 482 C THR A 59 -6.324 -9.878 1.505 1.00 0.00 C ATOM 483 O THR A 59 -5.409 -9.492 2.238 1.00 0.00 O ATOM 484 CB THR A 59 -6.143 -12.316 2.539 1.00 0.00 C ATOM 485 OG1 THR A 59 -4.880 -12.707 2.021 1.00 0.00 O ATOM 486 CG2 THR A 59 -6.948 -13.580 2.881 1.00 0.00 C ATOM 0 H THR A 59 -5.836 -12.145 -0.139 1.00 0.00 H new ATOM 0 HA THR A 59 -7.861 -11.283 1.927 1.00 0.00 H new ATOM 0 HB THR A 59 -6.042 -11.752 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.491 -13.399 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.382 -14.193 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.898 -13.295 3.333 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.136 -14.149 1.971 1.00 0.00 H new ATOM 487 N TYR A 60 -6.947 -9.063 0.622 1.00 0.00 N ATOM 488 CA TYR A 60 -6.396 -7.748 0.203 1.00 0.00 C ATOM 489 C TYR A 60 -7.288 -6.598 0.734 1.00 0.00 C ATOM 490 O TYR A 60 -8.508 -6.601 0.541 1.00 0.00 O ATOM 491 CB TYR A 60 -6.320 -7.775 -1.342 1.00 0.00 C ATOM 492 CG TYR A 60 -5.455 -6.731 -2.049 1.00 0.00 C ATOM 493 CD1 TYR A 60 -5.901 -5.415 -2.185 1.00 0.00 C ATOM 494 CD2 TYR A 60 -4.289 -7.135 -2.711 1.00 0.00 C ATOM 495 CE1 TYR A 60 -5.236 -4.537 -3.028 1.00 0.00 C ATOM 496 CE2 TYR A 60 -3.624 -6.250 -3.544 1.00 0.00 C ATOM 497 CZ TYR A 60 -4.111 -4.959 -3.728 1.00 0.00 C ATOM 498 OH TYR A 60 -3.470 -4.072 -4.544 1.00 0.00 O ATOM 0 H TYR A 60 -7.838 -9.293 0.182 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.403 -7.571 0.617 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.960 -8.760 -1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.336 -7.678 -1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.766 -5.080 -1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.908 -8.136 -2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.593 -3.524 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.724 -6.563 -4.053 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.683 -4.502 -4.940 1.00 0.00 H new ATOM 499 N LYS A 61 -6.658 -5.607 1.387 1.00 0.00 N ATOM 500 CA LYS A 61 -7.363 -4.420 1.938 1.00 0.00 C ATOM 501 C LYS A 61 -6.376 -3.226 1.890 1.00 0.00 C ATOM 502 O LYS A 61 -5.303 -3.283 2.503 1.00 0.00 O ATOM 503 CB LYS A 61 -7.843 -4.617 3.406 1.00 0.00 C ATOM 504 CG LYS A 61 -8.908 -5.712 3.655 1.00 0.00 C ATOM 505 CD LYS A 61 -9.532 -5.697 5.064 1.00 0.00 C ATOM 506 CE LYS A 61 -8.566 -6.103 6.197 1.00 0.00 C ATOM 507 NZ LYS A 61 -9.254 -6.122 7.501 1.00 0.00 N ATOM 0 H LYS A 61 -5.651 -5.599 1.551 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.255 -4.248 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.972 -4.846 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.243 -3.668 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.704 -5.599 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.453 -6.688 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.911 -4.696 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.389 -6.371 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.149 -7.088 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.730 -5.405 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.581 -6.398 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.630 -5.175 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.037 -6.806 7.471 1.00 0.00 H new ATOM 508 N LEU A 62 -6.773 -2.121 1.230 1.00 0.00 N ATOM 509 CA LEU A 62 -6.050 -0.820 1.332 1.00 0.00 C ATOM 510 C LEU A 62 -6.521 -0.077 2.636 1.00 0.00 C ATOM 511 O LEU A 62 -7.712 0.221 2.765 1.00 0.00 O ATOM 512 CB LEU A 62 -6.171 -0.014 -0.018 1.00 0.00 C ATOM 513 CG LEU A 62 -5.019 -0.194 -1.064 1.00 0.00 C ATOM 514 CD1 LEU A 62 -5.056 0.629 -2.357 1.00 0.00 C ATOM 515 CD2 LEU A 62 -3.663 0.183 -0.484 1.00 0.00 C ATOM 0 H LEU A 62 -7.589 -2.094 0.619 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.975 -0.959 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.109 -0.295 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.243 1.046 0.226 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.172 -1.246 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.188 0.385 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.966 0.397 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.040 1.691 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.892 0.044 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.679 1.227 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.446 -0.451 0.376 1.00 0.00 H new ATOM 516 N PHE A 63 -5.592 0.150 3.609 1.00 0.00 N ATOM 517 CA PHE A 63 -5.894 0.445 5.041 1.00 0.00 C ATOM 518 C PHE A 63 -6.712 1.753 5.361 1.00 0.00 C ATOM 519 O PHE A 63 -7.843 1.918 4.892 1.00 0.00 O ATOM 520 CB PHE A 63 -4.480 0.327 5.719 1.00 0.00 C ATOM 521 CG PHE A 63 -4.432 0.124 7.245 1.00 0.00 C ATOM 522 CD1 PHE A 63 -4.921 -1.056 7.814 1.00 0.00 C ATOM 523 CD2 PHE A 63 -3.863 1.100 8.072 1.00 0.00 C ATOM 524 CE1 PHE A 63 -4.844 -1.257 9.191 1.00 0.00 C ATOM 525 CE2 PHE A 63 -3.793 0.902 9.449 1.00 0.00 C ATOM 526 CZ PHE A 63 -4.281 -0.277 10.007 1.00 0.00 C ATOM 0 H PHE A 63 -4.591 0.133 3.415 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.624 -0.254 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.953 -0.506 5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.919 1.231 5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.360 -1.815 7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.476 2.011 7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.220 -2.171 9.626 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.361 1.662 10.083 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.223 -0.432 11.074 1.00 0.00 H new ATOM 527 N LYS A 64 -6.174 2.636 6.220 1.00 0.00 N ATOM 528 CA LYS A 64 -6.832 3.848 6.727 1.00 0.00 C ATOM 529 C LYS A 64 -5.694 4.671 7.393 1.00 0.00 C ATOM 530 O LYS A 64 -5.201 4.337 8.475 1.00 0.00 O ATOM 531 CB LYS A 64 -8.012 3.531 7.689 1.00 0.00 C ATOM 532 CG LYS A 64 -8.823 4.770 8.131 1.00 0.00 C ATOM 533 CD LYS A 64 -10.004 4.423 9.063 1.00 0.00 C ATOM 534 CE LYS A 64 -10.748 5.638 9.660 1.00 0.00 C ATOM 535 NZ LYS A 64 -11.531 6.388 8.660 1.00 0.00 N ATOM 0 H LYS A 64 -5.232 2.518 6.593 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.311 4.415 5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.685 2.827 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.619 3.033 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.159 5.468 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.204 5.281 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.719 3.816 8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.632 3.807 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.415 5.295 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.023 6.308 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.006 7.190 9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.896 6.743 7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.244 5.761 8.236 1.00 0.00 H new ATOM 536 N ASN A 65 -5.308 5.731 6.671 1.00 0.00 N ATOM 537 CA ASN A 65 -4.093 6.564 6.856 1.00 0.00 C ATOM 538 C ASN A 65 -3.295 6.527 5.523 1.00 0.00 C ATOM 539 O ASN A 65 -3.170 7.573 4.884 1.00 0.00 O ATOM 540 CB ASN A 65 -3.216 6.447 8.142 1.00 0.00 C ATOM 541 CG ASN A 65 -2.201 7.592 8.339 1.00 0.00 C ATOM 542 OD1 ASN A 65 -2.536 8.655 8.864 1.00 0.00 O ATOM 543 ND2 ASN A 65 -0.956 7.410 7.922 1.00 0.00 N ATOM 0 H ASN A 65 -5.869 6.059 5.885 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.479 7.555 7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.873 6.409 9.011 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.674 5.502 8.111 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.267 8.153 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.687 6.527 7.488 1.00 0.00 H new ATOM 544 N GLY A 66 -2.771 5.354 5.105 1.00 0.00 N ATOM 545 CA GLY A 66 -2.179 5.220 3.762 1.00 0.00 C ATOM 546 C GLY A 66 -1.270 4.000 3.623 1.00 0.00 C ATOM 547 O GLY A 66 -0.043 4.140 3.610 1.00 0.00 O ATOM 0 H GLY A 66 -2.747 4.504 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.979 5.155 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.607 6.119 3.533 1.00 0.00 H new ATOM 548 N THR A 67 -1.889 2.812 3.532 1.00 0.00 N ATOM 549 CA THR A 67 -1.163 1.510 3.576 1.00 0.00 C ATOM 550 C THR A 67 -1.925 0.422 2.745 1.00 0.00 C ATOM 551 O THR A 67 -3.099 0.583 2.434 1.00 0.00 O ATOM 552 CB THR A 67 -0.894 1.169 5.085 1.00 0.00 C ATOM 553 OG1 THR A 67 0.269 1.867 5.522 1.00 0.00 O ATOM 554 CG2 THR A 67 -0.697 -0.311 5.428 1.00 0.00 C ATOM 0 H THR A 67 -2.899 2.715 3.426 1.00 0.00 H new ATOM 0 HA THR A 67 -0.189 1.557 3.089 1.00 0.00 H new ATOM 0 HB THR A 67 -1.808 1.475 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.434 2.630 4.930 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.519 -0.416 6.498 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.591 -0.871 5.152 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.160 -0.701 4.878 1.00 0.00 H new ATOM 555 N LEU A 68 -1.240 -0.700 2.419 1.00 0.00 N ATOM 556 CA LEU A 68 -1.852 -1.941 1.858 1.00 0.00 C ATOM 557 C LEU A 68 -1.505 -3.170 2.769 1.00 0.00 C ATOM 558 O LEU A 68 -0.487 -3.177 3.464 1.00 0.00 O ATOM 559 CB LEU A 68 -1.363 -2.090 0.375 1.00 0.00 C ATOM 560 CG LEU A 68 -2.315 -2.740 -0.673 1.00 0.00 C ATOM 561 CD1 LEU A 68 -2.096 -2.280 -2.143 1.00 0.00 C ATOM 562 CD2 LEU A 68 -2.151 -4.232 -0.671 1.00 0.00 C ATOM 0 H LEU A 68 -0.230 -0.775 2.538 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.941 -1.886 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.105 -1.095 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.442 -2.673 0.389 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.308 -2.416 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.807 -2.789 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.247 -1.203 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.080 -2.525 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.822 -4.673 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.121 -4.485 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.391 -4.623 0.318 1.00 0.00 H new ATOM 563 N LYS A 69 -2.371 -4.202 2.760 1.00 0.00 N ATOM 564 CA LYS A 69 -2.124 -5.509 3.440 1.00 0.00 C ATOM 565 C LYS A 69 -2.573 -6.664 2.494 1.00 0.00 C ATOM 566 O LYS A 69 -3.698 -6.641 1.986 1.00 0.00 O ATOM 567 CB LYS A 69 -2.913 -5.588 4.780 1.00 0.00 C ATOM 568 CG LYS A 69 -2.327 -4.785 5.967 1.00 0.00 C ATOM 569 CD LYS A 69 -1.033 -5.362 6.585 1.00 0.00 C ATOM 570 CE LYS A 69 -1.241 -6.653 7.395 1.00 0.00 C ATOM 571 NZ LYS A 69 0.028 -7.151 7.952 1.00 0.00 N ATOM 0 H LYS A 69 -3.270 -4.162 2.280 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.061 -5.601 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.930 -5.240 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.982 -6.635 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.126 -3.768 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.084 -4.719 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.319 -5.559 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.586 -4.608 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.946 -6.466 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.684 -7.417 6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.148 -8.022 8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.692 -7.352 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.438 -6.431 8.581 1.00 0.00 H new ATOM 572 N ILE A 70 -1.698 -7.670 2.259 1.00 0.00 N ATOM 573 CA ILE A 70 -1.944 -8.770 1.279 1.00 0.00 C ATOM 574 C ILE A 70 -1.654 -10.093 2.061 1.00 0.00 C ATOM 575 O ILE A 70 -0.479 -10.433 2.238 1.00 0.00 O ATOM 576 CB ILE A 70 -1.043 -8.625 -0.011 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.988 -7.227 -0.682 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.534 -9.656 -1.039 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.067 -6.980 -1.786 1.00 0.00 C ATOM 0 H ILE A 70 -0.801 -7.748 2.739 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.966 -8.750 0.902 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.021 -8.790 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.970 -7.026 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.826 -6.488 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.931 -9.582 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.441 -10.659 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.578 -9.459 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.023 -5.958 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.065 -7.131 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.097 -7.677 -2.608 1.00 0.00 H new ATOM 580 N LYS A 71 -2.671 -10.790 2.616 1.00 0.00 N ATOM 581 CA LYS A 71 -2.471 -11.430 3.966 1.00 0.00 C ATOM 582 C LYS A 71 -2.335 -12.984 3.957 1.00 0.00 C ATOM 583 O LYS A 71 -3.304 -13.727 3.803 1.00 0.00 O ATOM 584 CB LYS A 71 -3.512 -10.991 5.037 1.00 0.00 C ATOM 585 CG LYS A 71 -3.621 -9.469 5.270 1.00 0.00 C ATOM 586 CD LYS A 71 -4.574 -9.043 6.406 1.00 0.00 C ATOM 587 CE LYS A 71 -4.058 -9.350 7.827 1.00 0.00 C ATOM 588 NZ LYS A 71 -4.895 -8.701 8.853 1.00 0.00 N ATOM 0 H LYS A 71 -3.589 -10.928 2.194 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.498 -11.035 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.492 -11.367 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.258 -11.469 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.626 -9.079 5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.953 -8.999 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.759 -7.972 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.532 -9.544 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.051 -10.428 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.028 -9.007 7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.523 -8.926 9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.881 -7.671 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.872 -9.048 8.774 1.00 0.00 H new ATOM 589 N HIS A 72 -1.119 -13.467 4.260 1.00 0.00 N ATOM 590 CA HIS A 72 -0.823 -14.885 4.609 1.00 0.00 C ATOM 591 C HIS A 72 -1.116 -15.978 3.536 1.00 0.00 C ATOM 592 O HIS A 72 -1.612 -17.035 3.931 1.00 0.00 O ATOM 593 CB HIS A 72 -1.212 -15.252 6.083 1.00 0.00 C ATOM 594 CG HIS A 72 -2.682 -15.176 6.512 1.00 0.00 C ATOM 595 ND1 HIS A 72 -3.227 -14.104 7.205 1.00 0.00 N ATOM 596 CD2 HIS A 72 -3.684 -16.139 6.259 1.00 0.00 C ATOM 597 CE1 HIS A 72 -4.534 -14.496 7.278 1.00 0.00 C ATOM 598 NE2 HIS A 72 -4.905 -15.706 6.752 1.00 0.00 N ATOM 0 H HIS A 72 -0.288 -12.876 4.272 1.00 0.00 H new ATOM 0 HA HIS A 72 0.266 -14.914 4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.869 -16.270 6.269 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.643 -14.598 6.744 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.522 -17.079 5.753 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.269 -13.858 7.746 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.819 -16.159 6.730 1.00 0.00 H new ATOM 599 N LEU A 73 -0.760 -15.772 2.229 1.00 0.00 N ATOM 600 CA LEU A 73 -0.785 -16.826 1.173 1.00 0.00 C ATOM 601 C LEU A 73 -0.265 -16.344 -0.234 1.00 0.00 C ATOM 602 O LEU A 73 0.677 -15.559 -0.369 1.00 0.00 O ATOM 603 CB LEU A 73 -1.962 -17.844 1.252 1.00 0.00 C ATOM 604 CG LEU A 73 -3.414 -17.307 1.302 1.00 0.00 C ATOM 605 CD1 LEU A 73 -3.742 -15.901 0.754 1.00 0.00 C ATOM 606 CD2 LEU A 73 -4.217 -18.352 0.551 1.00 0.00 C ATOM 0 H LEU A 73 -0.447 -14.865 1.882 1.00 0.00 H new ATOM 0 HA LEU A 73 0.010 -17.524 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.885 -18.505 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.807 -18.459 2.139 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.648 -17.157 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.807 -15.702 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.169 -15.154 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.482 -15.853 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.267 -18.059 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.844 -18.433 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.118 -19.316 1.051 1.00 0.00 H new ATOM 607 N LYS A 74 -0.835 -17.000 -1.250 1.00 0.00 N ATOM 608 CA LYS A 74 -0.184 -17.430 -2.513 1.00 0.00 C ATOM 609 C LYS A 74 0.358 -16.371 -3.522 1.00 0.00 C ATOM 610 O LYS A 74 0.464 -15.175 -3.243 1.00 0.00 O ATOM 611 CB LYS A 74 -1.163 -18.465 -3.162 1.00 0.00 C ATOM 612 CG LYS A 74 -2.558 -17.949 -3.596 1.00 0.00 C ATOM 613 CD LYS A 74 -3.304 -18.910 -4.543 1.00 0.00 C ATOM 614 CE LYS A 74 -4.823 -18.681 -4.655 1.00 0.00 C ATOM 615 NZ LYS A 74 -5.209 -17.348 -5.147 1.00 0.00 N ATOM 0 H LYS A 74 -1.820 -17.265 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 74 0.783 -17.845 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.673 -18.889 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.310 -19.280 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.167 -17.782 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.442 -16.984 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.867 -18.825 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.132 -19.932 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.242 -19.435 -5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.273 -18.836 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.934 -16.943 -4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.375 -16.727 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.592 -17.431 -6.111 1.00 0.00 H new ATOM 616 N THR A 75 0.739 -16.880 -4.710 1.00 0.00 N ATOM 617 CA THR A 75 1.214 -16.092 -5.861 1.00 0.00 C ATOM 618 C THR A 75 0.182 -15.071 -6.424 1.00 0.00 C ATOM 619 O THR A 75 0.492 -13.887 -6.559 1.00 0.00 O ATOM 620 CB THR A 75 1.853 -17.034 -6.932 1.00 0.00 C ATOM 621 OG1 THR A 75 2.954 -17.733 -6.360 1.00 0.00 O ATOM 622 CG2 THR A 75 2.374 -16.346 -8.211 1.00 0.00 C ATOM 0 H THR A 75 0.724 -17.882 -4.899 1.00 0.00 H new ATOM 0 HA THR A 75 2.002 -15.433 -5.497 1.00 0.00 H new ATOM 0 HB THR A 75 1.033 -17.686 -7.233 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.352 -18.324 -7.033 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.795 -17.095 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.551 -15.834 -8.710 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.144 -15.622 -7.946 1.00 0.00 H new ATOM 623 N ASP A 76 -1.025 -15.559 -6.722 1.00 0.00 N ATOM 624 CA ASP A 76 -2.184 -14.701 -7.118 1.00 0.00 C ATOM 625 C ASP A 76 -2.883 -13.887 -5.975 1.00 0.00 C ATOM 626 O ASP A 76 -3.672 -12.990 -6.289 1.00 0.00 O ATOM 627 CB ASP A 76 -3.215 -15.537 -7.927 1.00 0.00 C ATOM 628 CG ASP A 76 -2.714 -16.058 -9.285 1.00 0.00 C ATOM 629 OD1 ASP A 76 -2.657 -15.268 -10.253 1.00 0.00 O ATOM 630 OD2 ASP A 76 -2.365 -17.256 -9.380 1.00 0.00 O ATOM 0 H ASP A 76 -1.243 -16.555 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.745 -13.922 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.524 -16.388 -7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.102 -14.926 -8.095 1.00 0.00 H new ATOM 631 N ASP A 77 -2.536 -14.094 -4.682 1.00 0.00 N ATOM 632 CA ASP A 77 -2.713 -13.067 -3.620 1.00 0.00 C ATOM 633 C ASP A 77 -1.938 -11.734 -3.905 1.00 0.00 C ATOM 634 O ASP A 77 -2.532 -10.668 -3.745 1.00 0.00 O ATOM 635 CB ASP A 77 -2.336 -13.696 -2.243 1.00 0.00 C ATOM 636 CG ASP A 77 -2.663 -12.932 -0.952 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.667 -12.187 -0.897 1.00 0.00 O ATOM 638 OD2 ASP A 77 -1.908 -13.080 0.034 1.00 0.00 O ATOM 0 H ASP A 77 -2.130 -14.967 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.761 -12.769 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.826 -14.667 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.262 -13.881 -2.251 1.00 0.00 H new ATOM 639 N GLN A 78 -0.646 -11.802 -4.310 1.00 0.00 N ATOM 640 CA GLN A 78 0.304 -10.657 -4.233 1.00 0.00 C ATOM 641 C GLN A 78 1.046 -10.407 -5.574 1.00 0.00 C ATOM 642 O GLN A 78 1.521 -11.343 -6.227 1.00 0.00 O ATOM 643 CB GLN A 78 1.293 -10.781 -3.034 1.00 0.00 C ATOM 644 CG GLN A 78 1.679 -12.163 -2.447 1.00 0.00 C ATOM 645 CD GLN A 78 2.628 -12.058 -1.241 1.00 0.00 C ATOM 646 OE1 GLN A 78 2.197 -11.815 -0.114 1.00 0.00 O ATOM 647 NE2 GLN A 78 3.924 -12.227 -1.450 1.00 0.00 N ATOM 0 H GLN A 78 -0.231 -12.649 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.306 -9.774 -4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.220 -10.294 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.876 -10.194 -2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.774 -12.690 -2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.153 -12.763 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.267 -12.428 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.580 -12.156 -0.672 1.00 0.00 H new ATOM 648 N ASP A 79 1.143 -9.119 -5.978 1.00 0.00 N ATOM 649 CA ASP A 79 1.572 -8.722 -7.351 1.00 0.00 C ATOM 650 C ASP A 79 2.450 -7.424 -7.382 1.00 0.00 C ATOM 651 O ASP A 79 2.775 -6.808 -6.366 1.00 0.00 O ATOM 652 CB ASP A 79 0.302 -8.544 -8.237 1.00 0.00 C ATOM 653 CG ASP A 79 -0.407 -9.831 -8.681 1.00 0.00 C ATOM 654 OD1 ASP A 79 -0.032 -10.393 -9.732 1.00 0.00 O ATOM 655 OD2 ASP A 79 -1.338 -10.280 -7.980 1.00 0.00 O ATOM 0 H ASP A 79 0.929 -8.327 -5.371 1.00 0.00 H new ATOM 0 HA ASP A 79 2.209 -9.516 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.414 -7.932 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.583 -7.984 -9.129 1.00 0.00 H new ATOM 656 N ILE A 80 2.822 -7.011 -8.614 1.00 0.00 N ATOM 657 CA ILE A 80 3.562 -5.758 -8.905 1.00 0.00 C ATOM 658 C ILE A 80 2.655 -4.499 -8.672 1.00 0.00 C ATOM 659 O ILE A 80 1.460 -4.521 -8.985 1.00 0.00 O ATOM 660 CB ILE A 80 4.163 -5.834 -10.362 1.00 0.00 C ATOM 661 CG1 ILE A 80 4.901 -7.160 -10.765 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.065 -4.623 -10.689 1.00 0.00 C ATOM 663 CD1 ILE A 80 6.125 -7.575 -9.932 1.00 0.00 C ATOM 0 H ILE A 80 2.612 -7.550 -9.454 1.00 0.00 H new ATOM 0 HA ILE A 80 4.396 -5.650 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 80 3.260 -5.817 -10.972 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.176 -7.973 -10.725 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.218 -7.066 -11.804 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.454 -4.722 -11.702 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.483 -3.705 -10.612 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.895 -4.587 -9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.532 -8.507 -10.323 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.885 -6.795 -9.988 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.827 -7.717 -8.893 1.00 0.00 H new ATOM 664 N TYR A 81 3.240 -3.421 -8.106 1.00 0.00 N ATOM 665 CA TYR A 81 2.497 -2.169 -7.768 1.00 0.00 C ATOM 666 C TYR A 81 3.272 -0.876 -8.184 1.00 0.00 C ATOM 667 O TYR A 81 4.453 -0.878 -8.542 1.00 0.00 O ATOM 668 CB TYR A 81 2.128 -2.146 -6.246 1.00 0.00 C ATOM 669 CG TYR A 81 1.002 -3.108 -5.823 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.295 -3.055 -6.359 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.366 -4.208 -5.047 1.00 0.00 C ATOM 672 CE1 TYR A 81 -1.084 -4.207 -6.339 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.558 -5.332 -4.995 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.629 -5.361 -5.715 1.00 0.00 C ATOM 675 OH TYR A 81 -1.317 -6.534 -5.850 1.00 0.00 O ATOM 0 H TYR A 81 4.231 -3.385 -7.869 1.00 0.00 H new ATOM 0 HA TYR A 81 1.576 -2.174 -8.351 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.022 -2.385 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.836 -1.131 -5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.677 -2.137 -6.780 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.286 -4.183 -4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.055 -4.200 -6.812 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.850 -6.182 -4.397 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.859 -7.241 -5.349 1.00 0.00 H new ATOM 676 N LYS A 82 2.556 0.258 -8.118 1.00 0.00 N ATOM 677 CA LYS A 82 3.147 1.618 -8.099 1.00 0.00 C ATOM 678 C LYS A 82 2.192 2.515 -7.253 1.00 0.00 C ATOM 679 O LYS A 82 0.966 2.462 -7.399 1.00 0.00 O ATOM 680 CB LYS A 82 3.434 2.210 -9.508 1.00 0.00 C ATOM 681 CG LYS A 82 2.229 2.436 -10.453 1.00 0.00 C ATOM 682 CD LYS A 82 2.537 3.304 -11.695 1.00 0.00 C ATOM 683 CE LYS A 82 2.768 4.807 -11.438 1.00 0.00 C ATOM 684 NZ LYS A 82 1.561 5.512 -10.961 1.00 0.00 N ATOM 0 H LYS A 82 1.537 0.263 -8.076 1.00 0.00 H new ATOM 0 HA LYS A 82 4.138 1.571 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.938 3.167 -9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.137 1.547 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.859 1.466 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.425 2.907 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.424 2.900 -12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.711 3.200 -12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.563 4.924 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.114 5.277 -12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.783 6.516 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.807 5.429 -11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.242 5.088 -10.067 1.00 0.00 H new ATOM 685 N VAL A 83 2.777 3.358 -6.388 1.00 0.00 N ATOM 686 CA VAL A 83 2.008 4.283 -5.509 1.00 0.00 C ATOM 687 C VAL A 83 1.931 5.704 -6.114 1.00 0.00 C ATOM 688 O VAL A 83 2.891 6.217 -6.701 1.00 0.00 O ATOM 689 CB VAL A 83 2.558 4.267 -4.048 1.00 0.00 C ATOM 690 CG1 VAL A 83 4.001 4.766 -3.866 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.618 4.858 -2.974 1.00 0.00 C ATOM 0 H VAL A 83 3.788 3.426 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 83 0.981 3.922 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 83 2.591 3.193 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.275 4.710 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.678 4.143 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.074 5.799 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.098 4.797 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.406 5.901 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.686 4.294 -2.956 1.00 0.00 H new ATOM 692 N SER A 84 0.775 6.333 -5.887 1.00 0.00 N ATOM 693 CA SER A 84 0.628 7.802 -5.961 1.00 0.00 C ATOM 694 C SER A 84 -0.192 8.287 -4.731 1.00 0.00 C ATOM 695 O SER A 84 -1.037 7.578 -4.175 1.00 0.00 O ATOM 696 CB SER A 84 -0.048 8.208 -7.282 1.00 0.00 C ATOM 697 OG SER A 84 0.780 7.919 -8.407 1.00 0.00 O ATOM 0 H SER A 84 -0.088 5.846 -5.647 1.00 0.00 H new ATOM 0 HA SER A 84 1.610 8.275 -5.941 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.997 7.681 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.276 9.274 -7.262 1.00 0.00 H new ATOM 0 HG SER A 84 1.598 7.472 -8.105 1.00 0.00 H new ATOM 698 N ILE A 85 0.067 9.540 -4.338 1.00 0.00 N ATOM 699 CA ILE A 85 -0.748 10.263 -3.320 1.00 0.00 C ATOM 700 C ILE A 85 -1.288 11.525 -4.047 1.00 0.00 C ATOM 701 O ILE A 85 -0.536 12.320 -4.618 1.00 0.00 O ATOM 702 CB ILE A 85 0.031 10.569 -1.988 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.326 9.250 -1.205 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.717 11.582 -1.076 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.072 9.383 0.130 1.00 0.00 C ATOM 0 H ILE A 85 0.842 10.091 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.570 9.645 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 85 0.974 11.033 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.624 8.750 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.907 8.594 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.134 11.756 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.849 12.523 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.693 11.178 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.212 8.395 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.044 9.845 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.490 10.004 0.812 1.00 0.00 H new ATOM 706 N TYR A 86 -2.609 11.698 -3.943 1.00 0.00 N ATOM 707 CA TYR A 86 -3.321 12.904 -4.412 1.00 0.00 C ATOM 708 C TYR A 86 -3.982 13.560 -3.152 1.00 0.00 C ATOM 709 O TYR A 86 -4.334 12.917 -2.156 1.00 0.00 O ATOM 710 CB TYR A 86 -4.315 12.553 -5.555 1.00 0.00 C ATOM 711 CG TYR A 86 -3.796 11.902 -6.864 1.00 0.00 C ATOM 712 CD1 TYR A 86 -3.354 10.573 -6.874 1.00 0.00 C ATOM 713 CD2 TYR A 86 -3.898 12.583 -8.083 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.018 9.944 -8.068 1.00 0.00 C ATOM 715 CE2 TYR A 86 -3.548 11.957 -9.277 1.00 0.00 C ATOM 716 CZ TYR A 86 -3.100 10.639 -9.268 1.00 0.00 C ATOM 717 OH TYR A 86 -2.738 10.026 -10.440 1.00 0.00 O ATOM 0 H TYR A 86 -3.226 11.001 -3.527 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.646 13.631 -4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.067 11.884 -5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.828 13.474 -5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.273 10.030 -5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.251 13.603 -8.098 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.693 8.914 -8.062 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.624 12.495 -10.211 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.856 10.651 -11.186 1.00 0.00 H new ATOM 718 N ASP A 87 -4.112 14.890 -3.199 1.00 0.00 N ATOM 719 CA ASP A 87 -4.520 15.716 -2.020 1.00 0.00 C ATOM 720 C ASP A 87 -6.075 15.721 -1.811 1.00 0.00 C ATOM 721 O ASP A 87 -6.797 14.916 -2.417 1.00 0.00 O ATOM 722 CB ASP A 87 -3.879 17.131 -2.177 1.00 0.00 C ATOM 723 CG ASP A 87 -2.343 17.181 -2.134 1.00 0.00 C ATOM 724 OD1 ASP A 87 -1.758 17.021 -1.039 1.00 0.00 O ATOM 725 OD2 ASP A 87 -1.713 17.375 -3.197 1.00 0.00 O ATOM 0 H ASP A 87 -3.942 15.437 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.143 15.279 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.211 17.556 -3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.266 17.774 -1.387 1.00 0.00 H new ATOM 726 N THR A 88 -6.611 16.620 -0.950 1.00 0.00 N ATOM 727 CA THR A 88 -8.082 16.905 -0.887 1.00 0.00 C ATOM 728 C THR A 88 -8.715 17.429 -2.213 1.00 0.00 C ATOM 729 O THR A 88 -9.766 16.928 -2.621 1.00 0.00 O ATOM 730 CB THR A 88 -8.562 17.712 0.364 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.494 19.117 0.137 1.00 0.00 O ATOM 732 CG2 THR A 88 -7.914 17.404 1.726 1.00 0.00 C ATOM 0 H THR A 88 -6.056 17.163 -0.288 1.00 0.00 H new ATOM 0 HA THR A 88 -8.488 15.903 -0.747 1.00 0.00 H new ATOM 0 HB THR A 88 -9.587 17.355 0.462 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.802 19.593 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.353 18.045 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.088 16.359 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.841 17.589 1.669 1.00 0.00 H new ATOM 733 N LYS A 89 -8.052 18.384 -2.896 1.00 0.00 N ATOM 734 CA LYS A 89 -8.377 18.742 -4.300 1.00 0.00 C ATOM 735 C LYS A 89 -8.071 17.619 -5.352 1.00 0.00 C ATOM 736 O LYS A 89 -8.837 17.504 -6.316 1.00 0.00 O ATOM 737 CB LYS A 89 -7.671 20.084 -4.638 1.00 0.00 C ATOM 738 CG LYS A 89 -8.180 20.780 -5.920 1.00 0.00 C ATOM 739 CD LYS A 89 -7.575 22.171 -6.200 1.00 0.00 C ATOM 740 CE LYS A 89 -6.056 22.157 -6.453 1.00 0.00 C ATOM 741 NZ LYS A 89 -5.578 23.452 -6.966 1.00 0.00 N ATOM 0 H LYS A 89 -7.284 18.926 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.458 18.858 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.797 20.766 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.602 19.900 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.971 20.133 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.263 20.880 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.073 22.604 -7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.785 22.824 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.535 21.918 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.813 21.370 -7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.551 23.405 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.057 23.668 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.787 24.199 -6.273 1.00 0.00 H new ATOM 742 N GLY A 90 -6.995 16.817 -5.198 1.00 0.00 N ATOM 743 CA GLY A 90 -6.661 15.735 -6.142 1.00 0.00 C ATOM 744 C GLY A 90 -5.553 16.121 -7.138 1.00 0.00 C ATOM 745 O GLY A 90 -5.819 16.239 -8.334 1.00 0.00 O ATOM 0 H GLY A 90 -6.340 16.902 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.346 14.856 -5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -7.557 15.455 -6.696 1.00 0.00 H new ATOM 746 N LYS A 91 -4.321 16.302 -6.627 1.00 0.00 N ATOM 747 CA LYS A 91 -3.131 16.637 -7.451 1.00 0.00 C ATOM 748 C LYS A 91 -1.938 15.767 -6.972 1.00 0.00 C ATOM 749 O LYS A 91 -1.642 15.702 -5.774 1.00 0.00 O ATOM 750 CB LYS A 91 -2.759 18.143 -7.374 1.00 0.00 C ATOM 751 CG LYS A 91 -3.654 19.076 -8.219 1.00 0.00 C ATOM 752 CD LYS A 91 -3.094 20.515 -8.288 1.00 0.00 C ATOM 753 CE LYS A 91 -3.753 21.429 -9.342 1.00 0.00 C ATOM 754 NZ LYS A 91 -3.352 21.110 -10.726 1.00 0.00 N ATOM 0 H LYS A 91 -4.116 16.221 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.368 16.427 -8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.807 18.462 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.725 18.264 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.745 18.674 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.657 19.098 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.207 20.978 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.025 20.462 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.837 21.347 -9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.494 22.466 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.829 21.759 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.322 21.215 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.622 20.131 -10.949 1.00 0.00 H new ATOM 755 N ASN A 92 -1.240 15.136 -7.938 1.00 0.00 N ATOM 756 CA ASN A 92 -0.143 14.172 -7.656 1.00 0.00 C ATOM 757 C ASN A 92 1.085 14.840 -6.967 1.00 0.00 C ATOM 758 O ASN A 92 1.774 15.675 -7.559 1.00 0.00 O ATOM 759 CB ASN A 92 0.238 13.439 -8.976 1.00 0.00 C ATOM 760 CG ASN A 92 1.356 12.374 -8.899 1.00 0.00 C ATOM 761 OD1 ASN A 92 2.367 12.464 -9.594 1.00 0.00 O ATOM 762 ND2 ASN A 92 1.212 11.357 -8.064 1.00 0.00 N ATOM 0 H ASN A 92 -1.415 15.276 -8.933 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.501 13.437 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.659 12.958 -9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.539 14.192 -9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.940 10.646 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.373 11.284 -7.489 1.00 0.00 H new ATOM 763 N VAL A 93 1.327 14.417 -5.718 1.00 0.00 N ATOM 764 CA VAL A 93 2.468 14.880 -4.883 1.00 0.00 C ATOM 765 C VAL A 93 3.555 13.771 -4.907 1.00 0.00 C ATOM 766 O VAL A 93 4.476 13.822 -5.730 1.00 0.00 O ATOM 767 CB VAL A 93 2.023 15.439 -3.479 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.715 16.951 -3.536 1.00 0.00 C ATOM 769 CG2 VAL A 93 0.863 14.707 -2.756 1.00 0.00 C ATOM 0 H VAL A 93 0.734 13.735 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 93 2.933 15.772 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 93 2.903 15.238 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.412 17.298 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.607 17.492 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.909 17.132 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.662 15.197 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.032 14.741 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.143 13.669 -2.578 1.00 0.00 H new ATOM 770 N LEU A 94 3.421 12.760 -4.039 1.00 0.00 N ATOM 771 CA LEU A 94 4.381 11.624 -3.946 1.00 0.00 C ATOM 772 C LEU A 94 4.107 10.563 -5.055 1.00 0.00 C ATOM 773 O LEU A 94 2.951 10.272 -5.380 1.00 0.00 O ATOM 774 CB LEU A 94 4.347 10.942 -2.545 1.00 0.00 C ATOM 775 CG LEU A 94 4.900 11.752 -1.330 1.00 0.00 C ATOM 776 CD1 LEU A 94 3.860 12.704 -0.706 1.00 0.00 C ATOM 777 CD2 LEU A 94 5.444 10.813 -0.239 1.00 0.00 C ATOM 0 H LEU A 94 2.648 12.695 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 94 5.376 12.044 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.313 10.675 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.910 10.011 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 94 5.708 12.364 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.310 13.235 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.529 13.423 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.005 12.128 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.822 11.405 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.644 10.161 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.252 10.207 -0.650 1.00 0.00 H new ATOM 778 N GLU A 95 5.191 9.989 -5.618 1.00 0.00 N ATOM 779 CA GLU A 95 5.104 8.903 -6.632 1.00 0.00 C ATOM 780 C GLU A 95 6.352 7.981 -6.485 1.00 0.00 C ATOM 781 O GLU A 95 7.496 8.439 -6.608 1.00 0.00 O ATOM 782 CB GLU A 95 4.948 9.490 -8.064 1.00 0.00 C ATOM 783 CG GLU A 95 4.598 8.443 -9.142 1.00 0.00 C ATOM 784 CD GLU A 95 4.309 9.071 -10.507 1.00 0.00 C ATOM 785 OE1 GLU A 95 5.254 9.243 -11.309 1.00 0.00 O ATOM 786 OE2 GLU A 95 3.132 9.396 -10.787 1.00 0.00 O ATOM 0 H GLU A 95 6.147 10.259 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 95 4.213 8.298 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.170 10.253 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.877 9.987 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.424 7.738 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.728 7.872 -8.818 1.00 0.00 H new ATOM 787 N LYS A 96 6.112 6.679 -6.232 1.00 0.00 N ATOM 788 CA LYS A 96 7.177 5.640 -6.087 1.00 0.00 C ATOM 789 C LYS A 96 6.711 4.308 -6.766 1.00 0.00 C ATOM 790 O LYS A 96 5.551 4.148 -7.168 1.00 0.00 O ATOM 791 CB LYS A 96 7.553 5.439 -4.583 1.00 0.00 C ATOM 792 CG LYS A 96 8.381 6.544 -3.887 1.00 0.00 C ATOM 793 CD LYS A 96 9.865 6.666 -4.318 1.00 0.00 C ATOM 794 CE LYS A 96 10.791 5.473 -3.991 1.00 0.00 C ATOM 795 NZ LYS A 96 10.969 5.229 -2.547 1.00 0.00 N ATOM 0 H LYS A 96 5.169 6.306 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 96 8.082 5.974 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.627 5.312 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.107 4.504 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.893 7.502 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.351 6.368 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.892 6.831 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.282 7.557 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.385 4.574 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.767 5.650 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.601 4.415 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.386 6.071 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.046 5.028 -2.112 1.00 0.00 H new ATOM 796 N ILE A 97 7.653 3.361 -6.940 1.00 0.00 N ATOM 797 CA ILE A 97 7.447 2.123 -7.765 1.00 0.00 C ATOM 798 C ILE A 97 7.808 0.884 -6.869 1.00 0.00 C ATOM 799 O ILE A 97 8.685 0.937 -6.004 1.00 0.00 O ATOM 800 CB ILE A 97 8.213 2.180 -9.143 1.00 0.00 C ATOM 801 CG1 ILE A 97 8.115 3.545 -9.902 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.757 1.027 -10.079 1.00 0.00 C ATOM 803 CD1 ILE A 97 9.014 3.709 -11.141 1.00 0.00 C ATOM 0 H ILE A 97 8.581 3.419 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 97 6.403 2.035 -8.066 1.00 0.00 H new ATOM 0 HB ILE A 97 9.263 2.063 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.080 3.690 -10.210 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.353 4.344 -9.200 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.299 1.088 -11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.964 0.069 -9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.687 1.114 -10.269 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.855 4.695 -11.578 1.00 0.00 H new ATOM 0 HD12 ILE A 97 10.059 3.606 -10.849 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.765 2.942 -11.875 1.00 0.00 H new ATOM 804 N PHE A 98 7.046 -0.215 -7.027 1.00 0.00 N ATOM 805 CA PHE A 98 7.048 -1.381 -6.084 1.00 0.00 C ATOM 806 C PHE A 98 6.817 -2.710 -6.869 1.00 0.00 C ATOM 807 O PHE A 98 6.355 -2.694 -8.016 1.00 0.00 O ATOM 808 CB PHE A 98 5.919 -1.184 -5.024 1.00 0.00 C ATOM 809 CG PHE A 98 6.281 -0.201 -3.900 1.00 0.00 C ATOM 810 CD1 PHE A 98 6.187 1.183 -4.095 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.755 -0.687 -2.679 1.00 0.00 C ATOM 812 CE1 PHE A 98 6.629 2.064 -3.119 1.00 0.00 C ATOM 813 CE2 PHE A 98 7.147 0.198 -1.682 1.00 0.00 C ATOM 814 CZ PHE A 98 7.109 1.571 -1.908 1.00 0.00 C ATOM 0 H PHE A 98 6.405 -0.333 -7.811 1.00 0.00 H new ATOM 0 HA PHE A 98 8.014 -1.439 -5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.020 -0.829 -5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.676 -2.151 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.767 1.567 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.817 -1.752 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.601 3.129 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.483 -0.181 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.452 2.254 -1.145 1.00 0.00 H new ATOM 815 N ASP A 99 7.160 -3.883 -6.285 1.00 0.00 N ATOM 816 CA ASP A 99 7.127 -5.168 -7.047 1.00 0.00 C ATOM 817 C ASP A 99 6.964 -6.374 -6.086 1.00 0.00 C ATOM 818 O ASP A 99 7.992 -6.719 -5.489 1.00 0.00 O ATOM 819 CB ASP A 99 8.431 -5.373 -7.894 1.00 0.00 C ATOM 820 CG ASP A 99 8.730 -4.410 -9.055 1.00 0.00 C ATOM 821 OD1 ASP A 99 9.311 -3.331 -8.804 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.408 -4.731 -10.219 1.00 0.00 O ATOM 0 H ASP A 99 7.457 -3.973 -5.313 1.00 0.00 H new ATOM 0 HA ASP A 99 6.272 -5.113 -7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.277 -5.333 -7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.401 -6.382 -8.304 1.00 0.00 H new ATOM 823 N LEU A 100 5.809 -7.104 -5.949 1.00 0.00 N ATOM 824 CA LEU A 100 5.841 -8.371 -5.155 1.00 0.00 C ATOM 825 C LEU A 100 6.156 -9.570 -6.087 1.00 0.00 C ATOM 826 O LEU A 100 5.275 -10.111 -6.765 1.00 0.00 O ATOM 827 CB LEU A 100 4.597 -8.595 -4.270 1.00 0.00 C ATOM 828 CG LEU A 100 4.519 -7.724 -2.987 1.00 0.00 C ATOM 829 CD1 LEU A 100 4.443 -6.202 -3.204 1.00 0.00 C ATOM 830 CD2 LEU A 100 3.305 -8.155 -2.168 1.00 0.00 C ATOM 0 H LEU A 100 4.904 -6.856 -6.350 1.00 0.00 H new ATOM 0 HA LEU A 100 6.651 -8.279 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.707 -8.405 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.566 -9.644 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 100 5.465 -7.897 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.392 -5.699 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.330 -5.866 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.553 -5.961 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.242 -7.549 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.400 -8.019 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.405 -9.205 -1.894 1.00 0.00 H new ATOM 831 N LYS A 101 7.443 -9.962 -6.069 1.00 0.00 N ATOM 832 CA LYS A 101 7.944 -11.184 -6.759 1.00 0.00 C ATOM 833 C LYS A 101 8.078 -12.351 -5.737 1.00 0.00 C ATOM 834 O LYS A 101 8.370 -12.145 -4.555 1.00 0.00 O ATOM 835 CB LYS A 101 9.310 -10.918 -7.438 1.00 0.00 C ATOM 836 CG LYS A 101 9.297 -9.888 -8.588 1.00 0.00 C ATOM 837 CD LYS A 101 10.682 -9.740 -9.251 1.00 0.00 C ATOM 838 CE LYS A 101 10.727 -8.761 -10.438 1.00 0.00 C ATOM 839 NZ LYS A 101 10.622 -7.345 -10.039 1.00 0.00 N ATOM 0 H LYS A 101 8.173 -9.446 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 101 7.227 -11.459 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.013 -10.577 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.693 -11.862 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.567 -10.192 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.974 -8.920 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.397 -9.409 -8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.012 -10.721 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.659 -8.908 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.914 -8.998 -11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.081 -6.747 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.619 -7.081 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.092 -7.207 -9.122 1.00 0.00 H new ATOM 840 N ILE A 102 7.857 -13.588 -6.217 1.00 0.00 N ATOM 841 CA ILE A 102 7.694 -14.778 -5.329 1.00 0.00 C ATOM 842 C ILE A 102 8.999 -15.629 -5.408 1.00 0.00 C ATOM 843 O ILE A 102 9.436 -16.021 -6.496 1.00 0.00 O ATOM 844 CB ILE A 102 6.386 -15.580 -5.667 1.00 0.00 C ATOM 845 CG1 ILE A 102 5.081 -14.725 -5.765 1.00 0.00 C ATOM 846 CG2 ILE A 102 6.140 -16.761 -4.694 1.00 0.00 C ATOM 847 CD1 ILE A 102 4.662 -13.925 -4.518 1.00 0.00 C ATOM 0 H ILE A 102 7.785 -13.801 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 102 7.558 -14.466 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 102 6.593 -15.959 -6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.199 -14.024 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.260 -15.392 -6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.223 -17.279 -4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 102 6.979 -17.455 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.044 -16.381 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.742 -13.380 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.497 -14.609 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.450 -13.219 -4.257 1.00 0.00 H new ATOM 848 N GLN A 103 9.593 -15.921 -4.235 1.00 0.00 N ATOM 849 CA GLN A 103 10.875 -16.675 -4.130 1.00 0.00 C ATOM 850 C GLN A 103 10.719 -18.172 -4.534 1.00 0.00 C ATOM 851 O GLN A 103 9.719 -18.821 -4.217 1.00 0.00 O ATOM 852 CB GLN A 103 11.438 -16.592 -2.683 1.00 0.00 C ATOM 853 CG GLN A 103 11.879 -15.194 -2.196 1.00 0.00 C ATOM 854 CD GLN A 103 12.407 -15.201 -0.753 1.00 0.00 C ATOM 855 OE1 GLN A 103 13.586 -15.449 -0.504 1.00 0.00 O ATOM 856 NE2 GLN A 103 11.550 -14.936 0.224 1.00 0.00 N ATOM 0 H GLN A 103 9.206 -15.646 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 103 11.570 -16.208 -4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.677 -16.968 -1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.293 -17.264 -2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.655 -14.812 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.035 -14.508 -2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.575 -14.732 0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.866 -14.936 1.194 1.00 0.00 H new ATOM 857 N GLU A 104 11.743 -18.695 -5.235 1.00 0.00 N ATOM 858 CA GLU A 104 11.812 -20.120 -5.644 1.00 0.00 C ATOM 859 C GLU A 104 13.311 -20.497 -5.712 1.00 0.00 C ATOM 860 O GLU A 104 14.011 -20.230 -6.693 1.00 0.00 O ATOM 861 CB GLU A 104 10.997 -20.464 -6.919 1.00 0.00 C ATOM 862 CG GLU A 104 11.245 -19.631 -8.198 1.00 0.00 C ATOM 863 CD GLU A 104 10.275 -19.990 -9.324 1.00 0.00 C ATOM 864 OE1 GLU A 104 10.584 -20.896 -10.126 1.00 0.00 O ATOM 865 OE2 GLU A 104 9.196 -19.361 -9.414 1.00 0.00 O ATOM 0 H GLU A 104 12.548 -18.146 -5.536 1.00 0.00 H new ATOM 0 HA GLU A 104 11.312 -20.743 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.187 -21.510 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.939 -20.381 -6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.148 -18.571 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.268 -19.790 -8.539 1.00 0.00 H new ATOM 866 N ARG A 105 13.782 -21.082 -4.603 1.00 0.00 N ATOM 867 CA ARG A 105 15.225 -21.315 -4.352 1.00 0.00 C ATOM 868 C ARG A 105 15.623 -22.745 -4.784 1.00 0.00 C ATOM 869 O ARG A 105 15.165 -23.733 -4.165 1.00 0.00 O ATOM 870 CB ARG A 105 15.548 -21.008 -2.860 1.00 0.00 C ATOM 871 CG ARG A 105 17.027 -20.667 -2.556 1.00 0.00 C ATOM 872 CD ARG A 105 17.415 -19.172 -2.650 1.00 0.00 C ATOM 873 NE ARG A 105 17.428 -18.614 -4.029 1.00 0.00 N ATOM 874 CZ ARG A 105 16.475 -17.810 -4.552 1.00 0.00 C ATOM 875 NH1 ARG A 105 15.388 -17.411 -3.894 1.00 0.00 N ATOM 876 NH2 ARG A 105 16.630 -17.401 -5.798 1.00 0.00 N ATOM 877 OXT ARG A 105 16.400 -22.880 -5.755 1.00 0.00 O ATOM 0 H ARG A 105 13.179 -21.410 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 105 15.828 -20.638 -4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 105 14.927 -20.173 -2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 105 15.261 -21.871 -2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 105 17.261 -21.019 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 105 17.657 -21.229 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 105 16.718 -18.592 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 105 18.404 -19.040 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 105 18.218 -18.857 -4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.234 -17.713 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.709 -16.803 -4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.448 -17.693 -6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 105 15.931 -16.794 -6.226 1.00 0.00 H new