USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 772 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 56 SER OG : rot 180:sc= 0.706 USER MOD Set 1.2: A 100 TYR OH : rot 155:sc= -0.581 USER MOD Set 2.1: A 49 SER OG : rot -131:sc= -7.65! USER MOD Set 2.2: A 63 GLN : amide:sc= -12.9! C(o=-21!,f=-28!) USER MOD Set 3.1: A 36 SER OG : rot 180:sc= 0.22 USER MOD Set 3.2: A 42 SER OG : rot 130:sc= 0.0543 USER MOD Single : A 17 ASN : amide:sc= -0.75 K(o=-0.75,f=-3.9!) USER MOD Single : A 22 GLN : amide:sc= -5.12! C(o=-5.1!,f=-7.4!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=0.81) USER MOD Single : A 32 TYR OH : rot 83:sc= -2.1! USER MOD Single : A 33 ASN : amide:sc= -7.19! C(o=-7.2!,f=-7.7!) USER MOD Single : A 37 ASN : amide:sc= -0.925 K(o=-0.92,f=-3.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -6.34! C(o=-6.3!,f=-6.1!) USER MOD Single : A 59 LYS NZ :NH3+ -132:sc= -0.507 (180deg=-2.63!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -21:sc= -3.9! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -10.3! C(o=-10!,f=-8.5!) USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= -0.0484 (180deg=-0.473) USER MOD Single : A 92 TYR OH : rot 1:sc= -4.42! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -90:sc= 0.0117 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -153:sc= -4.41! USER MOD Single : A 106 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.3!) USER MOD Single : A 107 GLN : amide:sc= -0.0815 K(o=-0.082,f=-1.7!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -58:sc= 0.453! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0672 X(o=-0.067,f=0) USER MOD ----------------------------------------------------------------- ATOM 17 N PRO A 11 -8.110 10.033 15.124 1.00 0.00 N ATOM 18 CA PRO A 11 -7.708 8.695 14.598 1.00 0.00 C ATOM 19 C PRO A 11 -6.407 8.223 15.252 1.00 0.00 C ATOM 20 O PRO A 11 -5.681 8.996 15.846 1.00 0.00 O ATOM 21 CB PRO A 11 -7.507 8.959 13.113 1.00 0.00 C ATOM 22 CG PRO A 11 -7.207 10.447 12.957 1.00 0.00 C ATOM 23 CD PRO A 11 -7.698 11.156 14.224 1.00 0.00 C ATOM 0 HA PRO A 11 -8.440 7.913 14.800 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.686 8.358 12.723 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.399 8.685 12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.138 10.609 12.818 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.708 10.848 12.076 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.911 11.761 14.674 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.532 11.824 14.011 1.00 0.00 H new ATOM 31 N VAL A 12 -6.103 6.958 15.142 1.00 0.00 N ATOM 32 CA VAL A 12 -4.862 6.427 15.743 1.00 0.00 C ATOM 33 C VAL A 12 -3.783 6.383 14.658 1.00 0.00 C ATOM 34 O VAL A 12 -3.838 5.546 13.783 1.00 0.00 O ATOM 35 CB VAL A 12 -5.140 5.003 16.226 1.00 0.00 C ATOM 36 CG1 VAL A 12 -3.840 4.383 16.718 1.00 0.00 C ATOM 37 CG2 VAL A 12 -6.177 5.004 17.360 1.00 0.00 C ATOM 0 H VAL A 12 -6.673 6.267 14.654 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.533 7.051 16.574 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.541 4.420 15.397 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.030 3.367 17.064 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.117 4.359 15.903 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.441 4.978 17.540 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.359 3.980 17.688 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.800 5.591 18.197 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.109 5.441 17.001 1.00 0.00 H new ATOM 47 N PRO A 13 -2.832 7.280 14.732 1.00 0.00 N ATOM 48 CA PRO A 13 -1.728 7.354 13.731 1.00 0.00 C ATOM 49 C PRO A 13 -0.776 6.169 13.885 1.00 0.00 C ATOM 50 O PRO A 13 -0.641 5.592 14.946 1.00 0.00 O ATOM 51 CB PRO A 13 -1.043 8.675 14.051 1.00 0.00 C ATOM 52 CG PRO A 13 -1.377 8.999 15.499 1.00 0.00 C ATOM 53 CD PRO A 13 -2.712 8.322 15.809 1.00 0.00 C ATOM 0 HA PRO A 13 -2.078 7.309 12.700 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.035 8.596 13.910 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.394 9.464 13.387 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.596 8.635 16.166 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.447 10.077 15.647 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.715 7.875 16.803 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.539 9.031 15.776 1.00 0.00 H new ATOM 61 N VAL A 14 -0.132 5.796 12.817 1.00 0.00 N ATOM 62 CA VAL A 14 0.802 4.639 12.865 1.00 0.00 C ATOM 63 C VAL A 14 1.870 4.871 13.934 1.00 0.00 C ATOM 64 O VAL A 14 2.062 5.967 14.420 1.00 0.00 O ATOM 65 CB VAL A 14 1.463 4.472 11.484 1.00 0.00 C ATOM 66 CG1 VAL A 14 2.631 5.451 11.334 1.00 0.00 C ATOM 67 CG2 VAL A 14 1.969 3.041 11.324 1.00 0.00 C ATOM 0 H VAL A 14 -0.213 6.247 11.905 1.00 0.00 H new ATOM 0 HA VAL A 14 0.251 3.734 13.118 1.00 0.00 H new ATOM 0 HB VAL A 14 0.723 4.683 10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.090 5.323 10.354 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.264 6.473 11.432 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.372 5.255 12.109 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.436 2.927 10.346 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.701 2.825 12.102 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.132 2.348 11.410 1.00 0.00 H new ATOM 77 N ASP A 15 2.560 3.830 14.298 1.00 0.00 N ATOM 78 CA ASP A 15 3.623 3.951 15.338 1.00 0.00 C ATOM 79 C ASP A 15 4.746 2.961 15.034 1.00 0.00 C ATOM 80 O ASP A 15 4.678 2.196 14.093 1.00 0.00 O ATOM 81 CB ASP A 15 3.043 3.641 16.724 1.00 0.00 C ATOM 82 CG ASP A 15 1.521 3.817 16.710 1.00 0.00 C ATOM 83 OD1 ASP A 15 1.075 4.952 16.713 1.00 0.00 O ATOM 84 OD2 ASP A 15 0.829 2.811 16.696 1.00 0.00 O ATOM 0 H ASP A 15 2.434 2.892 13.918 1.00 0.00 H new ATOM 0 HA ASP A 15 4.012 4.969 15.330 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.296 2.621 17.013 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.486 4.302 17.468 1.00 0.00 H new ATOM 89 N GLU A 16 5.778 2.974 15.825 1.00 0.00 N ATOM 90 CA GLU A 16 6.913 2.035 15.591 1.00 0.00 C ATOM 91 C GLU A 16 6.607 0.686 16.250 1.00 0.00 C ATOM 92 O GLU A 16 7.445 0.101 16.908 1.00 0.00 O ATOM 93 CB GLU A 16 8.192 2.618 16.195 1.00 0.00 C ATOM 94 CG GLU A 16 8.649 3.817 15.362 1.00 0.00 C ATOM 95 CD GLU A 16 9.888 4.443 16.006 1.00 0.00 C ATOM 96 OE1 GLU A 16 10.954 3.866 15.874 1.00 0.00 O ATOM 97 OE2 GLU A 16 9.749 5.488 16.618 1.00 0.00 O ATOM 0 H GLU A 16 5.888 3.595 16.627 1.00 0.00 H new ATOM 0 HA GLU A 16 7.049 1.893 14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.013 2.925 17.226 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.974 1.859 16.219 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.876 3.501 14.344 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.849 4.554 15.296 1.00 0.00 H new ATOM 104 N ASN A 17 5.411 0.191 16.083 1.00 0.00 N ATOM 105 CA ASN A 17 5.050 -1.117 16.703 1.00 0.00 C ATOM 106 C ASN A 17 3.628 -1.512 16.279 1.00 0.00 C ATOM 107 O ASN A 17 2.781 -1.778 17.109 1.00 0.00 O ATOM 108 CB ASN A 17 5.098 -0.982 18.226 1.00 0.00 C ATOM 109 CG ASN A 17 6.261 -1.813 18.774 1.00 0.00 C ATOM 110 OD1 ASN A 17 6.843 -2.609 18.062 1.00 0.00 O ATOM 111 ND2 ASN A 17 6.627 -1.662 20.017 1.00 0.00 N ATOM 0 H ASN A 17 4.668 0.635 15.544 1.00 0.00 H new ATOM 0 HA ASN A 17 5.755 -1.881 16.375 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.221 0.064 18.506 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.158 -1.320 18.662 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.401 -2.211 20.391 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.139 -0.995 20.615 1.00 0.00 H new ATOM 118 N ASP A 18 3.343 -1.552 14.997 1.00 0.00 N ATOM 119 CA ASP A 18 1.970 -1.926 14.555 1.00 0.00 C ATOM 120 C ASP A 18 2.057 -2.903 13.385 1.00 0.00 C ATOM 121 O ASP A 18 1.841 -2.549 12.241 1.00 0.00 O ATOM 122 CB ASP A 18 1.200 -0.675 14.115 1.00 0.00 C ATOM 123 CG ASP A 18 2.185 0.430 13.728 1.00 0.00 C ATOM 124 OD1 ASP A 18 2.734 1.045 14.627 1.00 0.00 O ATOM 125 OD2 ASP A 18 2.376 0.640 12.541 1.00 0.00 O ATOM 0 H ASP A 18 4.001 -1.342 14.246 1.00 0.00 H new ATOM 0 HA ASP A 18 1.446 -2.396 15.387 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.555 -0.913 13.269 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.553 -0.332 14.923 1.00 0.00 H new ATOM 130 N GLU A 19 2.363 -4.136 13.670 1.00 0.00 N ATOM 131 CA GLU A 19 2.453 -5.147 12.583 1.00 0.00 C ATOM 132 C GLU A 19 1.155 -5.125 11.773 1.00 0.00 C ATOM 133 O GLU A 19 1.108 -5.580 10.648 1.00 0.00 O ATOM 134 CB GLU A 19 2.667 -6.542 13.184 1.00 0.00 C ATOM 135 CG GLU A 19 3.612 -6.442 14.384 1.00 0.00 C ATOM 136 CD GLU A 19 2.819 -6.630 15.678 1.00 0.00 C ATOM 137 OE1 GLU A 19 1.742 -6.069 15.776 1.00 0.00 O ATOM 138 OE2 GLU A 19 3.305 -7.332 16.551 1.00 0.00 O ATOM 0 H GLU A 19 2.555 -4.487 14.608 1.00 0.00 H new ATOM 0 HA GLU A 19 3.296 -4.911 11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.712 -6.966 13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.085 -7.213 12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.392 -7.200 14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.110 -5.472 14.388 1.00 0.00 H new ATOM 145 N GLY A 20 0.100 -4.588 12.331 1.00 0.00 N ATOM 146 CA GLY A 20 -1.185 -4.525 11.581 1.00 0.00 C ATOM 147 C GLY A 20 -1.059 -3.481 10.469 1.00 0.00 C ATOM 148 O GLY A 20 -1.325 -3.754 9.316 1.00 0.00 O ATOM 0 H GLY A 20 0.075 -4.192 13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.422 -5.501 11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.002 -4.263 12.254 1.00 0.00 H new ATOM 152 N LEU A 21 -0.646 -2.289 10.808 1.00 0.00 N ATOM 153 CA LEU A 21 -0.491 -1.229 9.772 1.00 0.00 C ATOM 154 C LEU A 21 0.493 -1.708 8.706 1.00 0.00 C ATOM 155 O LEU A 21 0.327 -1.438 7.534 1.00 0.00 O ATOM 156 CB LEU A 21 0.033 0.049 10.429 1.00 0.00 C ATOM 157 CG LEU A 21 0.004 1.200 9.418 1.00 0.00 C ATOM 158 CD1 LEU A 21 1.120 1.005 8.388 1.00 0.00 C ATOM 159 CD2 LEU A 21 -1.350 1.226 8.707 1.00 0.00 C ATOM 0 H LEU A 21 -0.409 -2.004 11.758 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.454 -1.022 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.577 0.299 11.297 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.050 -0.106 10.788 1.00 0.00 H new ATOM 0 HG LEU A 21 0.155 2.144 9.942 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.099 1.824 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.085 0.992 8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.972 0.060 7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.368 2.046 7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.505 0.282 8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.143 1.369 9.441 1.00 0.00 H new ATOM 171 N GLN A 22 1.514 -2.425 9.092 1.00 0.00 N ATOM 172 CA GLN A 22 2.485 -2.917 8.075 1.00 0.00 C ATOM 173 C GLN A 22 1.773 -3.897 7.151 1.00 0.00 C ATOM 174 O GLN A 22 1.835 -3.789 5.943 1.00 0.00 O ATOM 175 CB GLN A 22 3.660 -3.612 8.768 1.00 0.00 C ATOM 176 CG GLN A 22 4.373 -2.615 9.686 1.00 0.00 C ATOM 177 CD GLN A 22 4.764 -3.310 10.990 1.00 0.00 C ATOM 178 OE1 GLN A 22 4.349 -2.904 12.058 1.00 0.00 O ATOM 179 NE2 GLN A 22 5.553 -4.350 10.951 1.00 0.00 N ATOM 0 H GLN A 22 1.716 -2.689 10.056 1.00 0.00 H new ATOM 0 HA GLN A 22 2.870 -2.077 7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.303 -4.464 9.346 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.356 -4.001 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.261 -2.220 9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.721 -1.767 9.895 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.902 -4.692 10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.820 -4.820 11.816 1.00 0.00 H new ATOM 188 N ARG A 23 1.071 -4.838 7.712 1.00 0.00 N ATOM 189 CA ARG A 23 0.326 -5.808 6.869 1.00 0.00 C ATOM 190 C ARG A 23 -0.737 -5.037 6.091 1.00 0.00 C ATOM 191 O ARG A 23 -1.246 -5.490 5.085 1.00 0.00 O ATOM 192 CB ARG A 23 -0.343 -6.857 7.759 1.00 0.00 C ATOM 193 CG ARG A 23 0.727 -7.613 8.550 1.00 0.00 C ATOM 194 CD ARG A 23 0.931 -9.000 7.935 1.00 0.00 C ATOM 195 NE ARG A 23 2.361 -9.172 7.557 1.00 0.00 N ATOM 196 CZ ARG A 23 2.970 -10.300 7.806 1.00 0.00 C ATOM 197 NH1 ARG A 23 2.543 -11.406 7.260 1.00 0.00 N ATOM 198 NH2 ARG A 23 4.004 -10.321 8.601 1.00 0.00 N ATOM 0 H ARG A 23 0.981 -4.977 8.718 1.00 0.00 H new ATOM 0 HA ARG A 23 1.004 -6.315 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.044 -6.376 8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.919 -7.553 7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.664 -7.057 8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.425 -7.707 9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.637 -9.772 8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.295 -9.117 7.057 1.00 0.00 H new ATOM 0 HE ARG A 23 2.864 -8.409 7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.734 -11.389 6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.018 -12.287 7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.337 -9.456 9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.480 -11.202 8.796 1.00 0.00 H new ATOM 212 N ALA A 24 -1.059 -3.857 6.552 1.00 0.00 N ATOM 213 CA ALA A 24 -2.073 -3.025 5.852 1.00 0.00 C ATOM 214 C ALA A 24 -1.492 -2.559 4.527 1.00 0.00 C ATOM 215 O ALA A 24 -2.055 -2.780 3.468 1.00 0.00 O ATOM 216 CB ALA A 24 -2.410 -1.808 6.707 1.00 0.00 C ATOM 0 H ALA A 24 -0.659 -3.434 7.389 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.977 -3.609 5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.153 -1.198 6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.810 -2.137 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.508 -1.219 6.872 1.00 0.00 H new ATOM 222 N LEU A 25 -0.359 -1.918 4.575 1.00 0.00 N ATOM 223 CA LEU A 25 0.267 -1.442 3.335 1.00 0.00 C ATOM 224 C LEU A 25 0.574 -2.630 2.437 1.00 0.00 C ATOM 225 O LEU A 25 0.509 -2.543 1.238 1.00 0.00 O ATOM 226 CB LEU A 25 1.550 -0.724 3.715 1.00 0.00 C ATOM 227 CG LEU A 25 2.331 -0.353 2.455 1.00 0.00 C ATOM 228 CD1 LEU A 25 1.617 0.786 1.728 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.742 0.093 2.842 1.00 0.00 C ATOM 0 H LEU A 25 0.155 -1.707 5.430 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.396 -0.766 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.318 0.174 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.158 -1.362 4.356 1.00 0.00 H new ATOM 0 HG LEU A 25 2.392 -1.220 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.175 1.050 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.612 0.467 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.554 1.654 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.299 0.358 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.682 0.960 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.252 -0.720 3.359 1.00 0.00 H new ATOM 241 N GLN A 26 0.912 -3.741 3.005 1.00 0.00 N ATOM 242 CA GLN A 26 1.225 -4.927 2.159 1.00 0.00 C ATOM 243 C GLN A 26 -0.061 -5.500 1.544 1.00 0.00 C ATOM 244 O GLN A 26 -0.037 -6.099 0.488 1.00 0.00 O ATOM 245 CB GLN A 26 1.914 -5.998 3.004 1.00 0.00 C ATOM 246 CG GLN A 26 3.431 -5.799 2.940 1.00 0.00 C ATOM 247 CD GLN A 26 4.061 -6.225 4.267 1.00 0.00 C ATOM 248 OE1 GLN A 26 3.903 -5.556 5.269 1.00 0.00 O ATOM 249 NE2 GLN A 26 4.770 -7.318 4.317 1.00 0.00 N ATOM 0 H GLN A 26 0.987 -3.887 4.012 1.00 0.00 H new ATOM 0 HA GLN A 26 1.891 -4.617 1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.572 -5.938 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.651 -6.990 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.851 -6.385 2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.662 -4.754 2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.902 -7.879 3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.192 -7.612 5.198 1.00 0.00 H new ATOM 258 N PHE A 27 -1.177 -5.320 2.192 1.00 0.00 N ATOM 259 CA PHE A 27 -2.461 -5.850 1.648 1.00 0.00 C ATOM 260 C PHE A 27 -2.853 -5.062 0.407 1.00 0.00 C ATOM 261 O PHE A 27 -3.047 -5.603 -0.667 1.00 0.00 O ATOM 262 CB PHE A 27 -3.533 -5.664 2.706 1.00 0.00 C ATOM 263 CG PHE A 27 -4.824 -6.341 2.310 1.00 0.00 C ATOM 264 CD1 PHE A 27 -4.880 -7.184 1.194 1.00 0.00 C ATOM 265 CD2 PHE A 27 -5.978 -6.115 3.072 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.089 -7.796 0.843 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.183 -6.728 2.722 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.240 -7.567 1.607 1.00 0.00 C ATOM 0 H PHE A 27 -1.257 -4.826 3.081 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.352 -6.903 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.184 -6.071 3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.712 -4.600 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.992 -7.362 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.935 -5.464 3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.134 -8.446 -0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.070 -6.553 3.313 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.172 -8.039 1.334 1.00 0.00 H new ATOM 278 N ALA A 28 -2.967 -3.784 0.556 1.00 0.00 N ATOM 279 CA ALA A 28 -3.353 -2.931 -0.599 1.00 0.00 C ATOM 280 C ALA A 28 -2.193 -2.844 -1.583 1.00 0.00 C ATOM 281 O ALA A 28 -2.349 -3.056 -2.766 1.00 0.00 O ATOM 282 CB ALA A 28 -3.706 -1.534 -0.100 1.00 0.00 C ATOM 0 H ALA A 28 -2.810 -3.284 1.431 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.217 -3.368 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.989 -0.907 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.539 -1.597 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.842 -1.098 0.402 1.00 0.00 H new ATOM 288 N ILE A 29 -1.029 -2.535 -1.106 1.00 0.00 N ATOM 289 CA ILE A 29 0.140 -2.443 -2.016 1.00 0.00 C ATOM 290 C ILE A 29 0.274 -3.758 -2.773 1.00 0.00 C ATOM 291 O ILE A 29 0.576 -3.795 -3.951 1.00 0.00 O ATOM 292 CB ILE A 29 1.405 -2.164 -1.189 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.440 -1.479 -2.059 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.982 -3.457 -0.657 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.754 -0.321 -2.746 1.00 0.00 C ATOM 0 H ILE A 29 -0.833 -2.341 -0.124 1.00 0.00 H new ATOM 0 HA ILE A 29 0.005 -1.631 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 29 1.139 -1.520 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.277 -1.127 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.847 -2.175 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.877 -3.243 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.245 -3.951 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.240 -4.111 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.469 0.199 -3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.930 -0.695 -3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.367 0.369 -1.996 1.00 0.00 H new ATOM 307 N ALA A 30 0.023 -4.837 -2.100 1.00 0.00 N ATOM 308 CA ALA A 30 0.093 -6.157 -2.771 1.00 0.00 C ATOM 309 C ALA A 30 -0.893 -6.117 -3.927 1.00 0.00 C ATOM 310 O ALA A 30 -0.642 -6.618 -5.010 1.00 0.00 O ATOM 311 CB ALA A 30 -0.314 -7.258 -1.787 1.00 0.00 C ATOM 0 H ALA A 30 -0.228 -4.863 -1.112 1.00 0.00 H new ATOM 0 HA ALA A 30 1.104 -6.365 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.262 -8.227 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.363 -7.251 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.333 -7.081 -1.444 1.00 0.00 H new ATOM 317 N GLU A 31 -2.021 -5.503 -3.696 1.00 0.00 N ATOM 318 CA GLU A 31 -3.043 -5.405 -4.764 1.00 0.00 C ATOM 319 C GLU A 31 -2.600 -4.397 -5.827 1.00 0.00 C ATOM 320 O GLU A 31 -3.057 -4.449 -6.948 1.00 0.00 O ATOM 321 CB GLU A 31 -4.401 -5.002 -4.155 1.00 0.00 C ATOM 322 CG GLU A 31 -4.581 -3.476 -4.144 1.00 0.00 C ATOM 323 CD GLU A 31 -5.615 -3.080 -5.201 1.00 0.00 C ATOM 324 OE1 GLU A 31 -6.726 -3.581 -5.131 1.00 0.00 O ATOM 325 OE2 GLU A 31 -5.278 -2.283 -6.060 1.00 0.00 O ATOM 0 H GLU A 31 -2.275 -5.066 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.155 -6.377 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.208 -5.461 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.473 -5.386 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.907 -3.144 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.630 -2.985 -4.348 1.00 0.00 H new ATOM 332 N TYR A 32 -1.715 -3.487 -5.511 1.00 0.00 N ATOM 333 CA TYR A 32 -1.289 -2.525 -6.551 1.00 0.00 C ATOM 334 C TYR A 32 -0.410 -3.259 -7.562 1.00 0.00 C ATOM 335 O TYR A 32 -0.591 -3.147 -8.757 1.00 0.00 O ATOM 336 CB TYR A 32 -0.508 -1.394 -5.907 1.00 0.00 C ATOM 337 CG TYR A 32 -0.802 -0.103 -6.629 1.00 0.00 C ATOM 338 CD1 TYR A 32 -0.986 -0.086 -8.018 1.00 0.00 C ATOM 339 CD2 TYR A 32 -0.891 1.087 -5.902 1.00 0.00 C ATOM 340 CE1 TYR A 32 -1.252 1.116 -8.667 1.00 0.00 C ATOM 341 CE2 TYR A 32 -1.157 2.283 -6.550 1.00 0.00 C ATOM 342 CZ TYR A 32 -1.338 2.306 -7.936 1.00 0.00 C ATOM 343 OH TYR A 32 -1.604 3.497 -8.581 1.00 0.00 O ATOM 0 H TYR A 32 -1.280 -3.375 -4.595 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.159 -2.106 -7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.779 -1.304 -4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.560 -1.608 -5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.922 -1.004 -8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.752 1.075 -4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.392 1.130 -9.738 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.225 3.200 -5.983 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.570 3.585 -8.720 1.00 0.00 H new ATOM 353 N ASN A 33 0.540 -4.016 -7.085 1.00 0.00 N ATOM 354 CA ASN A 33 1.429 -4.766 -8.014 1.00 0.00 C ATOM 355 C ASN A 33 0.610 -5.790 -8.818 1.00 0.00 C ATOM 356 O ASN A 33 0.792 -5.934 -10.010 1.00 0.00 O ATOM 357 CB ASN A 33 2.514 -5.495 -7.205 1.00 0.00 C ATOM 358 CG ASN A 33 1.921 -6.749 -6.556 1.00 0.00 C ATOM 359 OD1 ASN A 33 1.660 -6.767 -5.368 1.00 0.00 O ATOM 360 ND2 ASN A 33 1.694 -7.805 -7.289 1.00 0.00 N ATOM 0 H ASN A 33 0.738 -4.147 -6.093 1.00 0.00 H new ATOM 0 HA ASN A 33 1.896 -4.065 -8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.344 -5.769 -7.856 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.916 -4.833 -6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.298 -8.644 -6.866 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.912 -7.791 -8.285 1.00 0.00 H new ATOM 367 N ARG A 34 -0.278 -6.512 -8.181 1.00 0.00 N ATOM 368 CA ARG A 34 -1.075 -7.528 -8.927 1.00 0.00 C ATOM 369 C ARG A 34 -2.230 -6.861 -9.679 1.00 0.00 C ATOM 370 O ARG A 34 -2.829 -7.449 -10.557 1.00 0.00 O ATOM 371 CB ARG A 34 -1.637 -8.553 -7.941 1.00 0.00 C ATOM 372 CG ARG A 34 -2.625 -7.865 -6.997 1.00 0.00 C ATOM 373 CD ARG A 34 -4.054 -8.221 -7.408 1.00 0.00 C ATOM 374 NE ARG A 34 -4.504 -9.424 -6.651 1.00 0.00 N ATOM 375 CZ ARG A 34 -5.106 -10.401 -7.274 1.00 0.00 C ATOM 376 NH1 ARG A 34 -6.225 -10.181 -7.907 1.00 0.00 N ATOM 377 NH2 ARG A 34 -4.587 -11.598 -7.263 1.00 0.00 N ATOM 0 H ARG A 34 -0.483 -6.441 -7.184 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.426 -8.022 -9.650 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.135 -9.358 -8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.827 -9.006 -7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.442 -8.179 -5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.484 -6.785 -7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.721 -7.382 -7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.098 -8.415 -8.480 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.342 -9.484 -5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.631 -9.245 -7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.694 -10.945 -8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.712 -11.770 -6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.056 -12.362 -7.749 1.00 0.00 H new ATOM 391 N ALA A 35 -2.557 -5.647 -9.340 1.00 0.00 N ATOM 392 CA ALA A 35 -3.690 -4.963 -10.036 1.00 0.00 C ATOM 393 C ALA A 35 -3.190 -4.205 -11.272 1.00 0.00 C ATOM 394 O ALA A 35 -3.972 -3.789 -12.104 1.00 0.00 O ATOM 395 CB ALA A 35 -4.365 -3.980 -9.081 1.00 0.00 C ATOM 0 H ALA A 35 -2.094 -5.098 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.406 -5.721 -10.353 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.190 -3.484 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.747 -4.519 -8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.640 -3.235 -8.754 1.00 0.00 H new ATOM 401 N SER A 36 -1.910 -4.007 -11.400 1.00 0.00 N ATOM 402 CA SER A 36 -1.395 -3.262 -12.581 1.00 0.00 C ATOM 403 C SER A 36 -1.198 -4.218 -13.759 1.00 0.00 C ATOM 404 O SER A 36 -1.868 -4.117 -14.768 1.00 0.00 O ATOM 405 CB SER A 36 -0.057 -2.609 -12.225 1.00 0.00 C ATOM 406 OG SER A 36 0.635 -2.271 -13.419 1.00 0.00 O ATOM 0 H SER A 36 -1.200 -4.327 -10.741 1.00 0.00 H new ATOM 0 HA SER A 36 -2.116 -2.495 -12.862 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.224 -1.716 -11.623 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.544 -3.291 -11.623 1.00 0.00 H new ATOM 0 HG SER A 36 1.491 -1.851 -13.193 1.00 0.00 H new ATOM 412 N ASN A 37 -0.283 -5.141 -13.645 1.00 0.00 N ATOM 413 CA ASN A 37 -0.045 -6.096 -14.769 1.00 0.00 C ATOM 414 C ASN A 37 0.089 -5.312 -16.080 1.00 0.00 C ATOM 415 O ASN A 37 -0.114 -5.843 -17.153 1.00 0.00 O ATOM 416 CB ASN A 37 -1.225 -7.068 -14.878 1.00 0.00 C ATOM 417 CG ASN A 37 -1.860 -7.271 -13.500 1.00 0.00 C ATOM 418 OD1 ASN A 37 -1.170 -7.323 -12.502 1.00 0.00 O ATOM 419 ND2 ASN A 37 -3.157 -7.386 -13.404 1.00 0.00 N ATOM 0 H ASN A 37 0.309 -5.277 -12.826 1.00 0.00 H new ATOM 0 HA ASN A 37 0.870 -6.657 -14.580 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.966 -6.678 -15.576 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.885 -8.024 -15.276 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.591 -7.520 -12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.736 -7.342 -14.242 1.00 0.00 H new ATOM 426 N ASP A 38 0.415 -4.049 -15.998 1.00 0.00 N ATOM 427 CA ASP A 38 0.548 -3.222 -17.216 1.00 0.00 C ATOM 428 C ASP A 38 1.943 -3.384 -17.823 1.00 0.00 C ATOM 429 O ASP A 38 2.566 -2.419 -18.221 1.00 0.00 O ATOM 430 CB ASP A 38 0.350 -1.780 -16.787 1.00 0.00 C ATOM 431 CG ASP A 38 0.445 -0.855 -18.003 1.00 0.00 C ATOM 432 OD1 ASP A 38 -0.360 -1.014 -18.907 1.00 0.00 O ATOM 433 OD2 ASP A 38 1.321 -0.007 -18.011 1.00 0.00 O ATOM 0 H ASP A 38 0.596 -3.556 -15.124 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.183 -3.523 -17.966 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.622 -1.665 -16.307 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.104 -1.504 -16.050 1.00 0.00 H new ATOM 438 N LYS A 39 2.451 -4.585 -17.903 1.00 0.00 N ATOM 439 CA LYS A 39 3.808 -4.764 -18.489 1.00 0.00 C ATOM 440 C LYS A 39 4.835 -4.101 -17.580 1.00 0.00 C ATOM 441 O LYS A 39 5.869 -3.651 -18.032 1.00 0.00 O ATOM 442 CB LYS A 39 3.855 -4.107 -19.870 1.00 0.00 C ATOM 443 CG LYS A 39 2.581 -4.455 -20.644 1.00 0.00 C ATOM 444 CD LYS A 39 1.948 -3.173 -21.188 1.00 0.00 C ATOM 445 CE LYS A 39 0.433 -3.354 -21.292 1.00 0.00 C ATOM 446 NZ LYS A 39 0.111 -4.191 -22.482 1.00 0.00 N ATOM 0 H LYS A 39 1.990 -5.440 -17.591 1.00 0.00 H new ATOM 0 HA LYS A 39 4.031 -5.827 -18.584 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.947 -3.026 -19.767 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.732 -4.451 -20.418 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.815 -5.134 -21.464 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.877 -4.973 -19.993 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.180 -2.334 -20.532 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.364 -2.937 -22.167 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.050 -3.827 -20.388 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.055 -2.383 -21.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.919 -4.313 -22.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.463 -3.723 -23.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.564 -5.122 -22.385 1.00 0.00 H new ATOM 460 N TYR A 40 4.569 -4.021 -16.302 1.00 0.00 N ATOM 461 CA TYR A 40 5.548 -3.372 -15.413 1.00 0.00 C ATOM 462 C TYR A 40 5.304 -3.740 -13.966 1.00 0.00 C ATOM 463 O TYR A 40 4.367 -4.438 -13.633 1.00 0.00 O ATOM 464 CB TYR A 40 5.427 -1.874 -15.562 1.00 0.00 C ATOM 465 CG TYR A 40 6.358 -1.465 -16.646 1.00 0.00 C ATOM 466 CD1 TYR A 40 7.681 -1.890 -16.598 1.00 0.00 C ATOM 467 CD2 TYR A 40 5.898 -0.701 -17.709 1.00 0.00 C ATOM 468 CE1 TYR A 40 8.556 -1.547 -17.615 1.00 0.00 C ATOM 469 CE2 TYR A 40 6.767 -0.356 -18.736 1.00 0.00 C ATOM 470 CZ TYR A 40 8.104 -0.777 -18.696 1.00 0.00 C ATOM 471 OH TYR A 40 8.969 -0.436 -19.715 1.00 0.00 O ATOM 0 H TYR A 40 3.726 -4.375 -15.850 1.00 0.00 H new ATOM 0 HA TYR A 40 6.545 -3.711 -15.693 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.403 -1.593 -15.808 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.680 -1.373 -14.628 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.026 -2.488 -15.767 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.868 -0.376 -17.738 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.585 -1.872 -17.576 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.413 0.237 -19.566 1.00 0.00 H new ATOM 0 HH TYR A 40 8.492 0.098 -20.384 1.00 0.00 H new ATOM 481 N SER A 41 6.145 -3.261 -13.093 1.00 0.00 N ATOM 482 CA SER A 41 5.932 -3.593 -11.647 1.00 0.00 C ATOM 483 C SER A 41 5.744 -2.313 -10.823 1.00 0.00 C ATOM 484 O SER A 41 6.669 -1.556 -10.614 1.00 0.00 O ATOM 485 CB SER A 41 7.121 -4.390 -11.108 1.00 0.00 C ATOM 486 OG SER A 41 6.654 -5.585 -10.502 1.00 0.00 O ATOM 0 H SER A 41 6.950 -2.671 -13.303 1.00 0.00 H new ATOM 0 HA SER A 41 5.030 -4.199 -11.562 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.811 -4.626 -11.918 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.673 -3.793 -10.382 1.00 0.00 H new ATOM 0 HG SER A 41 7.416 -6.097 -10.158 1.00 0.00 H new ATOM 492 N SER A 42 4.548 -2.073 -10.344 1.00 0.00 N ATOM 493 CA SER A 42 4.298 -0.847 -9.528 1.00 0.00 C ATOM 494 C SER A 42 4.282 -1.217 -8.039 1.00 0.00 C ATOM 495 O SER A 42 3.576 -2.116 -7.627 1.00 0.00 O ATOM 496 CB SER A 42 2.946 -0.235 -9.917 1.00 0.00 C ATOM 497 OG SER A 42 2.129 -1.233 -10.510 1.00 0.00 O ATOM 0 H SER A 42 3.735 -2.673 -10.483 1.00 0.00 H new ATOM 0 HA SER A 42 5.090 -0.122 -9.715 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.454 0.177 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.095 0.590 -10.614 1.00 0.00 H new ATOM 0 HG SER A 42 1.248 -1.232 -10.080 1.00 0.00 H new ATOM 503 N ARG A 43 5.047 -0.534 -7.221 1.00 0.00 N ATOM 504 CA ARG A 43 5.053 -0.862 -5.767 1.00 0.00 C ATOM 505 C ARG A 43 5.103 0.436 -4.966 1.00 0.00 C ATOM 506 O ARG A 43 5.203 1.512 -5.524 1.00 0.00 O ATOM 507 CB ARG A 43 6.281 -1.713 -5.439 1.00 0.00 C ATOM 508 CG ARG A 43 7.541 -0.851 -5.538 1.00 0.00 C ATOM 509 CD ARG A 43 8.774 -1.723 -5.291 1.00 0.00 C ATOM 510 NE ARG A 43 8.655 -2.382 -3.961 1.00 0.00 N ATOM 511 CZ ARG A 43 9.709 -2.897 -3.391 1.00 0.00 C ATOM 512 NH1 ARG A 43 10.584 -3.549 -4.108 1.00 0.00 N ATOM 513 NH2 ARG A 43 9.889 -2.762 -2.106 1.00 0.00 N ATOM 0 H ARG A 43 5.662 0.231 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 43 4.152 -1.419 -5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.190 -2.129 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.348 -2.554 -6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.601 -0.387 -6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.501 -0.043 -4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.864 -2.475 -6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.677 -1.114 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 43 7.749 -2.431 -3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.443 -3.655 -5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.409 -3.952 -3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.205 -2.253 -1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.714 -3.165 -1.661 1.00 0.00 H new ATOM 527 N VAL A 44 5.033 0.356 -3.666 1.00 0.00 N ATOM 528 CA VAL A 44 5.078 1.597 -2.852 1.00 0.00 C ATOM 529 C VAL A 44 6.351 2.371 -3.173 1.00 0.00 C ATOM 530 O VAL A 44 6.948 2.197 -4.218 1.00 0.00 O ATOM 531 CB VAL A 44 4.984 1.254 -1.361 1.00 0.00 C ATOM 532 CG1 VAL A 44 6.376 1.121 -0.741 1.00 0.00 C ATOM 533 CG2 VAL A 44 4.202 2.366 -0.653 1.00 0.00 C ATOM 0 H VAL A 44 4.947 -0.512 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 44 4.225 2.230 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 44 4.473 0.298 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.281 0.877 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.926 0.328 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.914 2.063 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.126 2.137 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.721 3.316 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.202 2.437 -1.081 1.00 0.00 H new ATOM 543 N VAL A 45 6.760 3.244 -2.312 1.00 0.00 N ATOM 544 CA VAL A 45 7.975 4.038 -2.627 1.00 0.00 C ATOM 545 C VAL A 45 8.155 5.121 -1.569 1.00 0.00 C ATOM 546 O VAL A 45 9.157 5.186 -0.884 1.00 0.00 O ATOM 547 CB VAL A 45 7.767 4.636 -4.036 1.00 0.00 C ATOM 548 CG1 VAL A 45 7.962 6.141 -4.096 1.00 0.00 C ATOM 549 CG2 VAL A 45 8.773 4.031 -4.968 1.00 0.00 C ATOM 0 H VAL A 45 6.317 3.445 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 45 8.879 3.429 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 45 6.736 4.415 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.800 6.489 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.250 6.627 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.977 6.389 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.638 4.444 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.779 4.258 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.635 2.950 -5.001 1.00 0.00 H new ATOM 559 N ARG A 46 7.187 5.962 -1.441 1.00 0.00 N ATOM 560 CA ARG A 46 7.273 7.055 -0.432 1.00 0.00 C ATOM 561 C ARG A 46 5.969 7.141 0.369 1.00 0.00 C ATOM 562 O ARG A 46 5.060 7.864 0.013 1.00 0.00 O ATOM 563 CB ARG A 46 7.520 8.385 -1.146 1.00 0.00 C ATOM 564 CG ARG A 46 8.912 8.372 -1.782 1.00 0.00 C ATOM 565 CD ARG A 46 9.943 8.846 -0.756 1.00 0.00 C ATOM 566 NE ARG A 46 11.295 8.355 -1.145 1.00 0.00 N ATOM 567 CZ ARG A 46 12.208 8.171 -0.231 1.00 0.00 C ATOM 568 NH1 ARG A 46 12.985 9.157 0.124 1.00 0.00 N ATOM 569 NH2 ARG A 46 12.346 6.998 0.327 1.00 0.00 N ATOM 0 H ARG A 46 6.329 5.948 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 46 8.095 6.844 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.760 8.546 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.439 9.210 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.158 7.367 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.930 9.020 -2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.942 9.935 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.682 8.476 0.235 1.00 0.00 H new ATOM 0 HE ARG A 46 11.507 8.163 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.879 10.073 -0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.698 9.012 0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.740 6.226 0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.060 6.854 1.041 1.00 0.00 H new ATOM 583 N VAL A 47 5.874 6.424 1.460 1.00 0.00 N ATOM 584 CA VAL A 47 4.638 6.490 2.287 1.00 0.00 C ATOM 585 C VAL A 47 4.297 7.955 2.526 1.00 0.00 C ATOM 586 O VAL A 47 5.094 8.836 2.275 1.00 0.00 O ATOM 587 CB VAL A 47 4.878 5.750 3.599 1.00 0.00 C ATOM 588 CG1 VAL A 47 4.115 6.416 4.743 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.406 4.303 3.456 1.00 0.00 C ATOM 0 H VAL A 47 6.599 5.798 1.811 1.00 0.00 H new ATOM 0 HA VAL A 47 3.798 6.015 1.780 1.00 0.00 H new ATOM 0 HB VAL A 47 5.944 5.778 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.300 5.872 5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.452 7.447 4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.047 6.405 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.576 3.771 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.342 4.289 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.963 3.816 2.655 1.00 0.00 H new ATOM 599 N ILE A 48 3.111 8.226 2.975 1.00 0.00 N ATOM 600 CA ILE A 48 2.720 9.635 3.181 1.00 0.00 C ATOM 601 C ILE A 48 1.785 9.722 4.374 1.00 0.00 C ATOM 602 O ILE A 48 1.956 10.535 5.262 1.00 0.00 O ATOM 603 CB ILE A 48 1.981 10.067 1.930 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.985 10.339 0.809 1.00 0.00 C ATOM 605 CG2 ILE A 48 1.159 11.332 2.200 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.236 10.485 -0.516 1.00 0.00 C ATOM 0 H ILE A 48 2.399 7.534 3.207 1.00 0.00 H new ATOM 0 HA ILE A 48 3.588 10.268 3.366 1.00 0.00 H new ATOM 0 HB ILE A 48 1.304 9.267 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.549 11.247 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.705 9.524 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.636 11.627 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.433 11.133 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.823 12.137 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.949 10.679 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.692 9.565 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.533 11.315 -0.447 1.00 0.00 H new ATOM 618 N SER A 49 0.784 8.896 4.389 1.00 0.00 N ATOM 619 CA SER A 49 -0.183 8.942 5.520 1.00 0.00 C ATOM 620 C SER A 49 -0.692 7.542 5.854 1.00 0.00 C ATOM 621 O SER A 49 -1.517 6.985 5.158 1.00 0.00 O ATOM 622 CB SER A 49 -1.368 9.831 5.137 1.00 0.00 C ATOM 623 OG SER A 49 -1.213 10.275 3.798 1.00 0.00 O ATOM 0 H SER A 49 0.591 8.194 3.674 1.00 0.00 H new ATOM 0 HA SER A 49 0.324 9.348 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.301 9.277 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.427 10.686 5.810 1.00 0.00 H new ATOM 0 HG SER A 49 -1.353 11.244 3.756 1.00 0.00 H new ATOM 629 N ALA A 50 -0.228 6.982 6.935 1.00 0.00 N ATOM 630 CA ALA A 50 -0.703 5.633 7.343 1.00 0.00 C ATOM 631 C ALA A 50 -1.447 5.776 8.671 1.00 0.00 C ATOM 632 O ALA A 50 -0.848 5.841 9.726 1.00 0.00 O ATOM 633 CB ALA A 50 0.487 4.690 7.514 1.00 0.00 C ATOM 0 H ALA A 50 0.463 7.403 7.556 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.363 5.219 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.130 3.704 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.026 4.610 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.155 5.082 8.281 1.00 0.00 H new ATOM 639 N LYS A 51 -2.746 5.856 8.624 1.00 0.00 N ATOM 640 CA LYS A 51 -3.531 6.032 9.885 1.00 0.00 C ATOM 641 C LYS A 51 -4.461 4.845 10.109 1.00 0.00 C ATOM 642 O LYS A 51 -4.682 4.031 9.234 1.00 0.00 O ATOM 643 CB LYS A 51 -4.362 7.311 9.784 1.00 0.00 C ATOM 644 CG LYS A 51 -3.475 8.459 9.298 1.00 0.00 C ATOM 645 CD LYS A 51 -4.158 9.796 9.594 1.00 0.00 C ATOM 646 CE LYS A 51 -3.105 10.902 9.672 1.00 0.00 C ATOM 647 NZ LYS A 51 -3.762 12.228 9.488 1.00 0.00 N ATOM 0 H LYS A 51 -3.302 5.808 7.770 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.839 6.098 10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.194 7.163 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.792 7.556 10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.505 8.417 9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.291 8.362 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.884 10.026 8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.707 9.736 10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.596 10.867 10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.346 10.751 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.046 12.980 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.228 12.258 8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.471 12.371 10.236 1.00 0.00 H new ATOM 661 N ARG A 52 -5.009 4.754 11.286 1.00 0.00 N ATOM 662 CA ARG A 52 -5.939 3.633 11.599 1.00 0.00 C ATOM 663 C ARG A 52 -7.100 4.156 12.460 1.00 0.00 C ATOM 664 O ARG A 52 -7.134 3.961 13.659 1.00 0.00 O ATOM 665 CB ARG A 52 -5.178 2.539 12.337 1.00 0.00 C ATOM 666 CG ARG A 52 -4.335 1.746 11.338 1.00 0.00 C ATOM 667 CD ARG A 52 -3.116 1.158 12.051 1.00 0.00 C ATOM 668 NE ARG A 52 -3.528 0.621 13.377 1.00 0.00 N ATOM 669 CZ ARG A 52 -2.622 0.255 14.242 1.00 0.00 C ATOM 670 NH1 ARG A 52 -2.031 -0.903 14.118 1.00 0.00 N ATOM 671 NH2 ARG A 52 -2.306 1.044 15.232 1.00 0.00 N ATOM 0 H ARG A 52 -4.853 5.411 12.050 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.346 3.219 10.677 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.538 2.978 13.102 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.876 1.876 12.848 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.931 0.948 10.896 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.015 2.394 10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.675 0.365 11.447 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.351 1.924 12.179 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.518 0.539 13.609 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.278 -1.521 13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.323 -1.189 14.794 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.767 1.948 15.331 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.598 0.756 15.907 1.00 0.00 H new ATOM 685 N GLN A 53 -8.047 4.832 11.851 1.00 0.00 N ATOM 686 CA GLN A 53 -9.205 5.388 12.617 1.00 0.00 C ATOM 687 C GLN A 53 -9.670 4.382 13.667 1.00 0.00 C ATOM 688 O GLN A 53 -9.454 3.195 13.535 1.00 0.00 O ATOM 689 CB GLN A 53 -10.356 5.689 11.656 1.00 0.00 C ATOM 690 CG GLN A 53 -10.437 7.197 11.413 1.00 0.00 C ATOM 691 CD GLN A 53 -11.905 7.623 11.331 1.00 0.00 C ATOM 692 OE1 GLN A 53 -12.657 7.435 12.266 1.00 0.00 O ATOM 693 NE2 GLN A 53 -12.344 8.192 10.243 1.00 0.00 N ATOM 0 H GLN A 53 -8.065 5.023 10.849 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.894 6.306 13.115 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.202 5.166 10.712 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.296 5.326 12.072 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.936 7.733 12.219 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.920 7.455 10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.711 8.349 9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.320 8.480 10.176 1.00 0.00 H new ATOM 702 N LEU A 54 -10.304 4.850 14.714 1.00 0.00 N ATOM 703 CA LEU A 54 -10.773 3.922 15.783 1.00 0.00 C ATOM 704 C LEU A 54 -12.266 4.128 16.065 1.00 0.00 C ATOM 705 O LEU A 54 -12.643 4.751 17.037 1.00 0.00 O ATOM 706 CB LEU A 54 -9.977 4.188 17.062 1.00 0.00 C ATOM 707 CG LEU A 54 -10.441 3.229 18.161 1.00 0.00 C ATOM 708 CD1 LEU A 54 -9.368 2.162 18.393 1.00 0.00 C ATOM 709 CD2 LEU A 54 -10.672 4.011 19.455 1.00 0.00 C ATOM 0 H LEU A 54 -10.516 5.835 14.872 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.620 2.896 15.449 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.912 4.055 16.874 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.117 5.220 17.382 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.371 2.749 17.856 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.698 1.479 19.176 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.203 1.605 17.471 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.438 2.642 18.698 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.003 3.329 20.238 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.743 4.491 19.761 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.436 4.771 19.290 1.00 0.00 H new ATOM 721 N VAL A 55 -13.116 3.575 15.244 1.00 0.00 N ATOM 722 CA VAL A 55 -14.582 3.698 15.480 1.00 0.00 C ATOM 723 C VAL A 55 -15.107 2.283 15.728 1.00 0.00 C ATOM 724 O VAL A 55 -14.365 1.440 16.191 1.00 0.00 O ATOM 725 CB VAL A 55 -15.245 4.327 14.245 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.430 3.272 13.149 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.606 4.913 14.633 1.00 0.00 C ATOM 0 H VAL A 55 -12.856 3.040 14.415 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.805 4.337 16.334 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.603 5.122 13.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.901 3.730 12.279 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.458 2.868 12.865 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.063 2.467 13.522 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.074 5.358 13.755 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.246 4.121 15.022 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.468 5.677 15.398 1.00 0.00 H new ATOM 737 N SER A 56 -16.351 1.991 15.429 1.00 0.00 N ATOM 738 CA SER A 56 -16.845 0.595 15.656 1.00 0.00 C ATOM 739 C SER A 56 -15.751 -0.388 15.229 1.00 0.00 C ATOM 740 O SER A 56 -15.614 -1.461 15.770 1.00 0.00 O ATOM 741 CB SER A 56 -18.105 0.333 14.820 1.00 0.00 C ATOM 742 OG SER A 56 -17.752 0.270 13.446 1.00 0.00 O ATOM 0 H SER A 56 -17.034 2.644 15.045 1.00 0.00 H new ATOM 0 HA SER A 56 -17.086 0.466 16.711 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.573 -0.601 15.130 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.835 1.125 14.984 1.00 0.00 H new ATOM 0 HG SER A 56 -18.555 0.101 12.909 1.00 0.00 H new ATOM 748 N GLY A 57 -14.958 0.002 14.276 1.00 0.00 N ATOM 749 CA GLY A 57 -13.844 -0.858 13.801 1.00 0.00 C ATOM 750 C GLY A 57 -12.708 0.086 13.375 1.00 0.00 C ATOM 751 O GLY A 57 -12.914 1.282 13.290 1.00 0.00 O ATOM 0 H GLY A 57 -15.037 0.899 13.796 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.512 -1.532 14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.164 -1.480 12.965 1.00 0.00 H new ATOM 755 N ILE A 58 -11.511 -0.389 13.114 1.00 0.00 N ATOM 756 CA ILE A 58 -10.452 0.580 12.718 1.00 0.00 C ATOM 757 C ILE A 58 -10.493 0.831 11.223 1.00 0.00 C ATOM 758 O ILE A 58 -10.641 -0.075 10.432 1.00 0.00 O ATOM 759 CB ILE A 58 -9.070 0.034 13.051 1.00 0.00 C ATOM 760 CG1 ILE A 58 -8.967 -0.200 14.546 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.003 1.033 12.609 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.441 -1.614 14.817 1.00 0.00 C ATOM 0 H ILE A 58 -11.233 -1.369 13.157 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.637 1.503 13.267 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.915 -0.909 12.526 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.940 -0.068 14.885 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.578 0.520 15.090 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.015 0.640 12.848 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.079 1.194 11.534 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.153 1.979 13.129 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.381 -1.819 15.886 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.473 -1.722 14.484 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.810 -2.319 14.276 1.00 0.00 H new ATOM 774 N LYS A 59 -10.289 2.045 10.823 1.00 0.00 N ATOM 775 CA LYS A 59 -10.238 2.323 9.373 1.00 0.00 C ATOM 776 C LYS A 59 -8.779 2.536 9.061 1.00 0.00 C ATOM 777 O LYS A 59 -8.089 3.291 9.708 1.00 0.00 O ATOM 778 CB LYS A 59 -11.043 3.564 9.001 1.00 0.00 C ATOM 779 CG LYS A 59 -12.074 3.866 10.093 1.00 0.00 C ATOM 780 CD LYS A 59 -12.638 5.273 9.893 1.00 0.00 C ATOM 781 CE LYS A 59 -13.749 5.234 8.843 1.00 0.00 C ATOM 782 NZ LYS A 59 -13.147 5.271 7.480 1.00 0.00 N ATOM 0 H LYS A 59 -10.156 2.852 11.432 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.673 1.501 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.375 4.416 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.546 3.409 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.880 3.132 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.611 3.786 11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.028 5.657 10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.846 5.952 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.346 4.330 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.421 6.081 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.637 5.984 6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.139 5.517 7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.244 4.337 7.032 1.00 0.00 H new ATOM 796 N TYR A 60 -8.304 1.828 8.116 1.00 0.00 N ATOM 797 CA TYR A 60 -6.857 1.908 7.772 1.00 0.00 C ATOM 798 C TYR A 60 -6.629 2.807 6.565 1.00 0.00 C ATOM 799 O TYR A 60 -6.799 2.394 5.438 1.00 0.00 O ATOM 800 CB TYR A 60 -6.349 0.516 7.451 1.00 0.00 C ATOM 801 CG TYR A 60 -5.841 -0.179 8.707 1.00 0.00 C ATOM 802 CD1 TYR A 60 -6.673 -0.360 9.828 1.00 0.00 C ATOM 803 CD2 TYR A 60 -4.533 -0.669 8.742 1.00 0.00 C ATOM 804 CE1 TYR A 60 -6.184 -1.021 10.960 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.053 -1.332 9.871 1.00 0.00 C ATOM 806 CZ TYR A 60 -4.877 -1.508 10.981 1.00 0.00 C ATOM 807 OH TYR A 60 -4.399 -2.162 12.099 1.00 0.00 O ATOM 0 H TYR A 60 -8.849 1.181 7.546 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.321 2.328 8.624 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.149 -0.073 7.003 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.547 0.578 6.715 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.687 0.011 9.814 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.888 -0.533 7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.821 -1.155 11.822 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.041 -1.710 9.885 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.471 -2.437 11.945 1.00 0.00 H new ATOM 817 N ILE A 61 -6.213 4.022 6.773 1.00 0.00 N ATOM 818 CA ILE A 61 -5.958 4.901 5.616 1.00 0.00 C ATOM 819 C ILE A 61 -4.485 4.784 5.246 1.00 0.00 C ATOM 820 O ILE A 61 -3.618 4.711 6.089 1.00 0.00 O ATOM 821 CB ILE A 61 -6.255 6.344 5.977 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.273 6.409 7.121 1.00 0.00 C ATOM 823 CG2 ILE A 61 -6.816 7.074 4.755 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.503 5.573 6.760 1.00 0.00 C ATOM 0 H ILE A 61 -6.041 4.437 7.689 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.597 4.604 4.784 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.330 6.822 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.825 6.036 8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.564 7.443 7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.029 8.111 5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.085 7.046 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.735 6.586 4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.226 5.620 7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.955 5.966 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.204 4.537 6.599 1.00 0.00 H new ATOM 836 N LEU A 62 -4.209 4.726 3.992 1.00 0.00 N ATOM 837 CA LEU A 62 -2.840 4.576 3.518 1.00 0.00 C ATOM 838 C LEU A 62 -2.590 5.578 2.408 1.00 0.00 C ATOM 839 O LEU A 62 -3.438 5.821 1.582 1.00 0.00 O ATOM 840 CB LEU A 62 -2.791 3.208 2.901 1.00 0.00 C ATOM 841 CG LEU A 62 -1.416 2.558 2.954 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.340 3.593 2.699 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.225 1.914 4.313 1.00 0.00 C ATOM 0 H LEU A 62 -4.908 4.779 3.251 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.114 4.720 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.507 2.564 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.110 3.277 1.861 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.341 1.793 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.640 3.117 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.488 4.036 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.397 4.372 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.242 1.446 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.301 2.675 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.994 1.158 4.469 1.00 0.00 H new ATOM 855 N GLN A 63 -1.425 6.099 2.336 1.00 0.00 N ATOM 856 CA GLN A 63 -1.087 6.997 1.232 1.00 0.00 C ATOM 857 C GLN A 63 0.339 6.702 0.885 1.00 0.00 C ATOM 858 O GLN A 63 1.157 6.445 1.742 1.00 0.00 O ATOM 859 CB GLN A 63 -1.170 8.440 1.610 1.00 0.00 C ATOM 860 CG GLN A 63 -2.626 8.909 1.622 1.00 0.00 C ATOM 861 CD GLN A 63 -3.186 8.812 3.043 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.144 7.763 3.655 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.711 9.871 3.597 1.00 0.00 N ATOM 0 H GLN A 63 -0.675 5.939 3.008 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.789 6.834 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.726 8.590 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.594 9.040 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.690 9.937 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.221 8.298 0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.746 10.751 3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.086 9.818 4.544 1.00 0.00 H new ATOM 872 N VAL A 64 0.640 6.760 -0.349 1.00 0.00 N ATOM 873 CA VAL A 64 2.038 6.479 -0.776 1.00 0.00 C ATOM 874 C VAL A 64 2.250 6.883 -2.229 1.00 0.00 C ATOM 875 O VAL A 64 1.474 6.532 -3.099 1.00 0.00 O ATOM 876 CB VAL A 64 2.383 4.957 -0.674 1.00 0.00 C ATOM 877 CG1 VAL A 64 1.909 4.350 0.648 1.00 0.00 C ATOM 878 CG2 VAL A 64 1.726 4.198 -1.823 1.00 0.00 C ATOM 0 H VAL A 64 -0.010 6.989 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 64 2.680 7.054 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 64 3.468 4.868 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.169 3.292 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.392 4.865 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.828 4.460 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.970 3.139 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.645 4.326 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.093 4.587 -2.773 1.00 0.00 H new ATOM 888 N GLU A 65 3.331 7.554 -2.504 1.00 0.00 N ATOM 889 CA GLU A 65 3.650 7.893 -3.910 1.00 0.00 C ATOM 890 C GLU A 65 4.279 6.631 -4.499 1.00 0.00 C ATOM 891 O GLU A 65 5.480 6.520 -4.636 1.00 0.00 O ATOM 892 CB GLU A 65 4.641 9.057 -3.964 1.00 0.00 C ATOM 893 CG GLU A 65 4.019 10.285 -3.296 1.00 0.00 C ATOM 894 CD GLU A 65 3.999 11.451 -4.287 1.00 0.00 C ATOM 895 OE1 GLU A 65 4.832 11.459 -5.177 1.00 0.00 O ATOM 896 OE2 GLU A 65 3.150 12.313 -4.138 1.00 0.00 O ATOM 0 H GLU A 65 4.006 7.881 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 65 2.764 8.201 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.567 8.784 -3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.897 9.283 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.006 10.058 -2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.590 10.558 -2.409 1.00 0.00 H new ATOM 903 N ILE A 66 3.465 5.658 -4.795 1.00 0.00 N ATOM 904 CA ILE A 66 3.991 4.361 -5.314 1.00 0.00 C ATOM 905 C ILE A 66 4.691 4.592 -6.632 1.00 0.00 C ATOM 906 O ILE A 66 4.265 5.357 -7.470 1.00 0.00 O ATOM 907 CB ILE A 66 2.847 3.302 -5.397 1.00 0.00 C ATOM 908 CG1 ILE A 66 2.839 2.553 -6.721 1.00 0.00 C ATOM 909 CG2 ILE A 66 1.480 3.950 -5.228 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.782 1.454 -6.603 1.00 0.00 C ATOM 0 H ILE A 66 2.450 5.704 -4.700 1.00 0.00 H new ATOM 0 HA ILE A 66 4.731 3.952 -4.626 1.00 0.00 H new ATOM 0 HB ILE A 66 3.043 2.600 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.605 3.227 -7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.820 2.125 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.705 3.186 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.428 4.441 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.327 4.688 -6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.740 0.888 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.043 0.785 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.809 1.905 -6.409 1.00 0.00 H new ATOM 922 N GLY A 67 5.812 3.962 -6.779 1.00 0.00 N ATOM 923 CA GLY A 67 6.620 4.172 -8.001 1.00 0.00 C ATOM 924 C GLY A 67 6.545 2.946 -8.934 1.00 0.00 C ATOM 925 O GLY A 67 5.743 2.053 -8.726 1.00 0.00 O ATOM 0 H GLY A 67 6.206 3.308 -6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.264 5.057 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.658 4.361 -7.726 1.00 0.00 H new ATOM 929 N ARG A 68 7.376 2.887 -9.964 1.00 0.00 N ATOM 930 CA ARG A 68 7.329 1.721 -10.886 1.00 0.00 C ATOM 931 C ARG A 68 8.694 1.049 -10.958 1.00 0.00 C ATOM 932 O ARG A 68 9.696 1.591 -10.538 1.00 0.00 O ATOM 933 CB ARG A 68 6.955 2.196 -12.290 1.00 0.00 C ATOM 934 CG ARG A 68 5.598 2.899 -12.248 1.00 0.00 C ATOM 935 CD ARG A 68 4.539 2.003 -12.893 1.00 0.00 C ATOM 936 NE ARG A 68 3.809 2.772 -13.939 1.00 0.00 N ATOM 937 CZ ARG A 68 2.565 3.110 -13.749 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.175 3.529 -12.576 1.00 0.00 N ATOM 939 NH2 ARG A 68 1.708 3.028 -14.731 1.00 0.00 N ATOM 0 H ARG A 68 8.073 3.596 -10.193 1.00 0.00 H new ATOM 0 HA ARG A 68 6.589 1.013 -10.512 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.717 2.877 -12.670 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.916 1.348 -12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.323 3.121 -11.217 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.654 3.852 -12.775 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.010 1.125 -13.334 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.841 1.644 -12.137 1.00 0.00 H new ATOM 0 HE ARG A 68 4.283 3.034 -14.804 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.844 3.592 -11.809 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.201 3.794 -12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.012 2.699 -15.647 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.734 3.293 -14.582 1.00 0.00 H new ATOM 953 N THR A 69 8.735 -0.119 -11.529 1.00 0.00 N ATOM 954 CA THR A 69 9.996 -0.831 -11.692 1.00 0.00 C ATOM 955 C THR A 69 10.071 -1.201 -13.181 1.00 0.00 C ATOM 956 O THR A 69 9.306 -2.039 -13.644 1.00 0.00 O ATOM 957 CB THR A 69 9.995 -2.086 -10.826 1.00 0.00 C ATOM 958 OG1 THR A 69 9.289 -3.115 -11.494 1.00 0.00 O ATOM 959 CG2 THR A 69 9.332 -1.790 -9.478 1.00 0.00 C ATOM 0 H THR A 69 7.918 -0.609 -11.894 1.00 0.00 H new ATOM 0 HA THR A 69 10.852 -0.228 -11.389 1.00 0.00 H new ATOM 0 HB THR A 69 11.022 -2.405 -10.650 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.695 -2.721 -12.167 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.335 -2.691 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.884 -1.001 -8.966 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.304 -1.466 -9.641 1.00 0.00 H new ATOM 967 N THR A 70 10.906 -0.523 -13.946 1.00 0.00 N ATOM 968 CA THR A 70 10.969 -0.787 -15.424 1.00 0.00 C ATOM 969 C THR A 70 11.071 -2.315 -15.711 1.00 0.00 C ATOM 970 O THR A 70 10.844 -3.120 -14.834 1.00 0.00 O ATOM 971 CB THR A 70 12.179 -0.049 -16.036 1.00 0.00 C ATOM 972 OG1 THR A 70 12.256 -0.303 -17.430 1.00 0.00 O ATOM 973 CG2 THR A 70 13.484 -0.497 -15.363 1.00 0.00 C ATOM 0 H THR A 70 11.543 0.199 -13.610 1.00 0.00 H new ATOM 0 HA THR A 70 10.052 -0.416 -15.882 1.00 0.00 H new ATOM 0 HB THR A 70 12.043 1.020 -15.870 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.026 0.172 -17.807 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.325 0.035 -15.809 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.438 -0.275 -14.297 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.617 -1.570 -15.505 1.00 0.00 H new ATOM 1125 N GLU A 82 14.898 -2.629 -11.892 1.00 0.00 N ATOM 1126 CA GLU A 82 14.202 -1.922 -10.793 1.00 0.00 C ATOM 1127 C GLU A 82 13.565 -0.634 -11.315 1.00 0.00 C ATOM 1128 O GLU A 82 13.150 -0.523 -12.454 1.00 0.00 O ATOM 1129 CB GLU A 82 15.230 -1.581 -9.705 1.00 0.00 C ATOM 1130 CG GLU A 82 16.196 -2.752 -9.511 1.00 0.00 C ATOM 1131 CD GLU A 82 15.517 -3.844 -8.684 1.00 0.00 C ATOM 1132 OE1 GLU A 82 14.756 -3.500 -7.795 1.00 0.00 O ATOM 1133 OE2 GLU A 82 15.772 -5.007 -8.952 1.00 0.00 O ATOM 0 HA GLU A 82 13.417 -2.559 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.784 -0.685 -9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.720 -1.361 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.500 -3.150 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.101 -2.411 -9.009 1.00 0.00 H new ATOM 1140 N PHE A 83 13.468 0.304 -10.436 1.00 0.00 N ATOM 1141 CA PHE A 83 12.868 1.652 -10.699 1.00 0.00 C ATOM 1142 C PHE A 83 13.647 2.483 -11.775 1.00 0.00 C ATOM 1143 O PHE A 83 13.661 3.688 -11.697 1.00 0.00 O ATOM 1144 CB PHE A 83 12.979 2.396 -9.392 1.00 0.00 C ATOM 1145 CG PHE A 83 11.726 2.204 -8.582 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.345 0.922 -8.166 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.958 3.310 -8.231 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.184 0.750 -7.397 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.806 3.144 -7.465 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.411 1.869 -7.045 1.00 0.00 C ATOM 0 H PHE A 83 13.800 0.194 -9.478 1.00 0.00 H new ATOM 0 HA PHE A 83 11.852 1.522 -11.071 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.842 2.037 -8.832 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.141 3.457 -9.581 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.945 0.066 -8.437 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.255 4.297 -8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.886 -0.238 -7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.214 4.005 -7.194 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.516 1.746 -6.453 1.00 0.00 H new ATOM 1160 N HIS A 84 14.322 1.884 -12.741 1.00 0.00 N ATOM 1161 CA HIS A 84 15.097 2.671 -13.751 1.00 0.00 C ATOM 1162 C HIS A 84 16.482 2.905 -13.185 1.00 0.00 C ATOM 1163 O HIS A 84 16.968 4.015 -13.099 1.00 0.00 O ATOM 1164 CB HIS A 84 14.429 4.011 -14.077 1.00 0.00 C ATOM 1165 CG HIS A 84 12.975 3.798 -14.390 1.00 0.00 C ATOM 1166 ND1 HIS A 84 12.179 4.806 -14.909 1.00 0.00 N ATOM 1167 CD2 HIS A 84 12.157 2.699 -14.273 1.00 0.00 C ATOM 1168 CE1 HIS A 84 10.945 4.302 -15.083 1.00 0.00 C ATOM 1169 NE2 HIS A 84 10.876 3.022 -14.711 1.00 0.00 N ATOM 0 H HIS A 84 14.365 0.873 -12.867 1.00 0.00 H new ATOM 0 HA HIS A 84 15.141 2.109 -14.684 1.00 0.00 H new ATOM 0 HB2 HIS A 84 14.532 4.693 -13.233 1.00 0.00 H new ATOM 0 HB3 HIS A 84 14.928 4.478 -14.926 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.462 1.733 -13.899 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.111 4.864 -15.476 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.059 2.411 -14.741 1.00 0.00 H new ATOM 1177 N ASP A 85 17.108 1.843 -12.783 1.00 0.00 N ATOM 1178 CA ASP A 85 18.465 1.940 -12.192 1.00 0.00 C ATOM 1179 C ASP A 85 18.375 2.634 -10.825 1.00 0.00 C ATOM 1180 O ASP A 85 19.375 2.917 -10.197 1.00 0.00 O ATOM 1181 CB ASP A 85 19.373 2.749 -13.120 1.00 0.00 C ATOM 1182 CG ASP A 85 20.359 1.808 -13.816 1.00 0.00 C ATOM 1183 OD1 ASP A 85 21.391 1.523 -13.231 1.00 0.00 O ATOM 1184 OD2 ASP A 85 20.064 1.388 -14.924 1.00 0.00 O ATOM 0 H ASP A 85 16.732 0.896 -12.839 1.00 0.00 H new ATOM 0 HA ASP A 85 18.880 0.940 -12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.774 3.279 -13.861 1.00 0.00 H new ATOM 0 HB3 ASP A 85 19.915 3.503 -12.549 1.00 0.00 H new ATOM 1189 N GLU A 86 17.179 2.912 -10.368 1.00 0.00 N ATOM 1190 CA GLU A 86 17.005 3.593 -9.053 1.00 0.00 C ATOM 1191 C GLU A 86 15.595 4.186 -8.992 1.00 0.00 C ATOM 1192 O GLU A 86 14.982 4.406 -10.011 1.00 0.00 O ATOM 1193 CB GLU A 86 18.027 4.726 -8.919 1.00 0.00 C ATOM 1194 CG GLU A 86 18.962 4.439 -7.744 1.00 0.00 C ATOM 1195 CD GLU A 86 20.393 4.271 -8.260 1.00 0.00 C ATOM 1196 OE1 GLU A 86 20.967 5.259 -8.686 1.00 0.00 O ATOM 1197 OE2 GLU A 86 20.889 3.158 -8.219 1.00 0.00 O ATOM 0 H GLU A 86 16.310 2.693 -10.856 1.00 0.00 H new ATOM 0 HA GLU A 86 17.152 2.876 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.603 4.821 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.514 5.675 -8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.918 5.255 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.643 3.536 -7.224 1.00 0.00 H new ATOM 1204 N PRO A 87 15.131 4.446 -7.802 1.00 0.00 N ATOM 1205 CA PRO A 87 13.778 5.038 -7.564 1.00 0.00 C ATOM 1206 C PRO A 87 13.797 6.517 -7.926 1.00 0.00 C ATOM 1207 O PRO A 87 12.818 7.081 -8.375 1.00 0.00 O ATOM 1208 CB PRO A 87 13.566 4.832 -6.070 1.00 0.00 C ATOM 1209 CG PRO A 87 14.947 4.701 -5.444 1.00 0.00 C ATOM 1210 CD PRO A 87 15.895 4.201 -6.538 1.00 0.00 C ATOM 0 HA PRO A 87 12.984 4.589 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.023 5.672 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.971 3.938 -5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.284 5.661 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 87 14.925 4.004 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.840 4.744 -6.529 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.133 3.145 -6.411 1.00 0.00 H new ATOM 1218 N GLU A 88 14.924 7.126 -7.727 1.00 0.00 N ATOM 1219 CA GLU A 88 15.101 8.576 -8.022 1.00 0.00 C ATOM 1220 C GLU A 88 14.346 9.017 -9.285 1.00 0.00 C ATOM 1221 O GLU A 88 14.075 10.190 -9.450 1.00 0.00 O ATOM 1222 CB GLU A 88 16.593 8.860 -8.208 1.00 0.00 C ATOM 1223 CG GLU A 88 16.808 10.359 -8.435 1.00 0.00 C ATOM 1224 CD GLU A 88 16.646 11.105 -7.110 1.00 0.00 C ATOM 1225 OE1 GLU A 88 17.437 10.861 -6.215 1.00 0.00 O ATOM 1226 OE2 GLU A 88 15.735 11.910 -7.014 1.00 0.00 O ATOM 0 H GLU A 88 15.759 6.668 -7.361 1.00 0.00 H new ATOM 0 HA GLU A 88 14.691 9.139 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.148 8.532 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.978 8.295 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.802 10.536 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.091 10.733 -9.165 1.00 0.00 H new ATOM 1233 N LEU A 89 14.013 8.138 -10.198 1.00 0.00 N ATOM 1234 CA LEU A 89 13.310 8.629 -11.410 1.00 0.00 C ATOM 1235 C LEU A 89 12.509 7.514 -12.078 1.00 0.00 C ATOM 1236 O LEU A 89 12.476 7.422 -13.289 1.00 0.00 O ATOM 1237 CB LEU A 89 14.346 9.158 -12.399 1.00 0.00 C ATOM 1238 CG LEU A 89 15.417 8.087 -12.624 1.00 0.00 C ATOM 1239 CD1 LEU A 89 15.316 7.557 -14.055 1.00 0.00 C ATOM 1240 CD2 LEU A 89 16.805 8.690 -12.397 1.00 0.00 C ATOM 0 H LEU A 89 14.192 7.135 -10.156 1.00 0.00 H new ATOM 0 HA LEU A 89 12.618 9.417 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.867 9.415 -13.344 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.802 10.070 -12.014 1.00 0.00 H new ATOM 0 HG LEU A 89 15.262 7.268 -11.922 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.078 6.795 -14.215 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.329 7.122 -14.213 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.468 8.376 -14.758 1.00 0.00 H new ATOM 0 HD21 LEU A 89 17.565 7.925 -12.558 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.963 9.512 -13.096 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.877 9.063 -11.375 1.00 0.00 H new ATOM 1252 N ALA A 90 11.839 6.677 -11.333 1.00 0.00 N ATOM 1253 CA ALA A 90 11.044 5.622 -12.016 1.00 0.00 C ATOM 1254 C ALA A 90 9.567 5.993 -11.939 1.00 0.00 C ATOM 1255 O ALA A 90 8.720 5.183 -11.617 1.00 0.00 O ATOM 1256 CB ALA A 90 11.268 4.251 -11.378 1.00 0.00 C ATOM 0 H ALA A 90 11.807 6.676 -10.313 1.00 0.00 H new ATOM 0 HA ALA A 90 11.366 5.559 -13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.672 3.504 -11.902 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.323 3.986 -11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.969 4.284 -10.330 1.00 0.00 H new ATOM 1262 N LYS A 91 9.267 7.232 -12.195 1.00 0.00 N ATOM 1263 CA LYS A 91 7.885 7.710 -12.108 1.00 0.00 C ATOM 1264 C LYS A 91 7.340 7.353 -10.759 1.00 0.00 C ATOM 1265 O LYS A 91 7.956 6.673 -9.963 1.00 0.00 O ATOM 1266 CB LYS A 91 6.977 7.096 -13.155 1.00 0.00 C ATOM 1267 CG LYS A 91 7.800 6.599 -14.345 1.00 0.00 C ATOM 1268 CD LYS A 91 6.985 6.747 -15.632 1.00 0.00 C ATOM 1269 CE LYS A 91 7.153 8.164 -16.183 1.00 0.00 C ATOM 1270 NZ LYS A 91 8.528 8.323 -16.735 1.00 0.00 N ATOM 0 H LYS A 91 9.947 7.942 -12.467 1.00 0.00 H new ATOM 0 HA LYS A 91 7.907 8.787 -12.275 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.417 6.268 -12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.247 7.833 -13.491 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.726 7.168 -14.422 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.078 5.556 -14.197 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.316 6.017 -16.370 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.932 6.545 -15.434 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.413 8.353 -16.961 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.980 8.895 -15.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.521 9.048 -17.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.176 8.614 -15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.848 7.418 -17.135 1.00 0.00 H new ATOM 1284 N TYR A 92 6.205 7.862 -10.490 1.00 0.00 N ATOM 1285 CA TYR A 92 5.566 7.658 -9.202 1.00 0.00 C ATOM 1286 C TYR A 92 4.061 7.861 -9.353 1.00 0.00 C ATOM 1287 O TYR A 92 3.571 8.235 -10.401 1.00 0.00 O ATOM 1288 CB TYR A 92 6.140 8.710 -8.291 1.00 0.00 C ATOM 1289 CG TYR A 92 7.648 8.775 -8.475 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.504 7.927 -7.748 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.188 9.678 -9.399 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.891 7.998 -7.948 1.00 0.00 C ATOM 1293 CE2 TYR A 92 9.569 9.745 -9.596 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.419 8.910 -8.872 1.00 0.00 C ATOM 1295 OH TYR A 92 11.781 8.987 -9.070 1.00 0.00 O ATOM 0 H TYR A 92 5.670 8.437 -11.140 1.00 0.00 H new ATOM 0 HA TYR A 92 5.736 6.655 -8.809 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.694 9.680 -8.512 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.900 8.478 -7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.095 7.224 -7.038 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.533 10.326 -9.962 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.551 7.350 -7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.979 10.444 -10.310 1.00 0.00 H new ATOM 0 HH TYR A 92 12.232 8.329 -8.501 1.00 0.00 H new ATOM 1305 N THR A 93 3.335 7.623 -8.312 1.00 0.00 N ATOM 1306 CA THR A 93 1.860 7.800 -8.362 1.00 0.00 C ATOM 1307 C THR A 93 1.329 7.935 -6.934 1.00 0.00 C ATOM 1308 O THR A 93 1.768 7.250 -6.030 1.00 0.00 O ATOM 1309 CB THR A 93 1.226 6.605 -9.090 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.165 7.067 -9.911 1.00 0.00 O ATOM 1311 CG2 THR A 93 0.683 5.566 -8.101 1.00 0.00 C ATOM 0 H THR A 93 3.700 7.309 -7.413 1.00 0.00 H new ATOM 0 HA THR A 93 1.600 8.704 -8.913 1.00 0.00 H new ATOM 0 HB THR A 93 1.997 6.128 -9.695 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.241 6.308 -10.379 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.242 4.735 -8.652 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.497 5.197 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.077 6.027 -7.470 1.00 0.00 H new ATOM 1319 N THR A 94 0.392 8.813 -6.727 1.00 0.00 N ATOM 1320 CA THR A 94 -0.164 9.001 -5.360 1.00 0.00 C ATOM 1321 C THR A 94 -1.406 8.148 -5.193 1.00 0.00 C ATOM 1322 O THR A 94 -2.438 8.404 -5.780 1.00 0.00 O ATOM 1323 CB THR A 94 -0.521 10.474 -5.146 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.470 11.291 -5.752 1.00 0.00 O ATOM 1325 CG2 THR A 94 -0.586 10.770 -3.647 1.00 0.00 C ATOM 0 H THR A 94 -0.015 9.411 -7.447 1.00 0.00 H new ATOM 0 HA THR A 94 0.582 8.701 -4.625 1.00 0.00 H new ATOM 0 HB THR A 94 -1.490 10.685 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.179 11.482 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.840 11.819 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.347 10.141 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.383 10.561 -3.193 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.313 7.120 -4.401 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.489 6.243 -4.208 1.00 0.00 C ATOM 1335 C CYS A 95 -2.844 6.152 -2.730 1.00 0.00 C ATOM 1336 O CYS A 95 -2.041 6.448 -1.858 1.00 0.00 O ATOM 1337 CB CYS A 95 -2.156 4.863 -4.740 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.675 3.892 -4.891 1.00 0.00 S ATOM 0 H CYS A 95 -0.476 6.853 -3.883 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.344 6.656 -4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.666 4.944 -5.710 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.457 4.362 -4.070 1.00 0.00 H new ATOM 1343 N THR A 96 -4.051 5.741 -2.451 1.00 0.00 N ATOM 1344 CA THR A 96 -4.496 5.619 -1.043 1.00 0.00 C ATOM 1345 C THR A 96 -5.161 4.257 -0.832 1.00 0.00 C ATOM 1346 O THR A 96 -5.904 3.777 -1.666 1.00 0.00 O ATOM 1347 CB THR A 96 -5.503 6.728 -0.723 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.972 7.978 -1.137 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.772 6.757 0.783 1.00 0.00 C ATOM 0 H THR A 96 -4.750 5.484 -3.148 1.00 0.00 H new ATOM 0 HA THR A 96 -3.632 5.710 -0.385 1.00 0.00 H new ATOM 0 HB THR A 96 -6.437 6.537 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.615 8.690 -0.935 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.489 7.546 1.009 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.179 5.796 1.099 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.840 6.949 1.315 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.898 3.639 0.285 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.500 2.316 0.585 1.00 0.00 C ATOM 1359 C PHE A 97 -6.406 2.441 1.806 1.00 0.00 C ATOM 1360 O PHE A 97 -6.032 3.028 2.803 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.398 1.311 0.920 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.322 1.300 -0.157 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.579 1.776 -1.456 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -2.059 0.780 0.142 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.575 1.728 -2.429 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.067 0.726 -0.826 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.310 1.196 -2.117 1.00 0.00 C ATOM 0 H PHE A 97 -4.282 4.002 1.012 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.066 1.980 -0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.952 1.563 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.828 0.314 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.551 2.178 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.853 0.416 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.771 2.101 -3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.099 0.317 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.536 1.152 -2.869 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.581 1.877 1.762 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.467 1.961 2.953 1.00 0.00 C ATOM 1379 C VAL A 98 -8.750 0.536 3.432 1.00 0.00 C ATOM 1380 O VAL A 98 -9.099 -0.325 2.650 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.770 2.665 2.576 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.773 2.537 3.723 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.487 4.145 2.308 1.00 0.00 C ATOM 0 H VAL A 98 -7.961 1.368 0.964 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.989 2.532 3.749 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.186 2.204 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.701 3.040 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.974 1.483 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.360 2.997 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.415 4.650 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.071 4.604 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.773 4.237 1.489 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.576 0.258 4.700 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.821 -1.134 5.171 1.00 0.00 C ATOM 1395 C VAL A 99 -9.533 -1.156 6.520 1.00 0.00 C ATOM 1396 O VAL A 99 -9.028 -0.684 7.511 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.483 -1.892 5.284 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.590 -2.991 6.348 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.171 -2.508 3.930 1.00 0.00 C ATOM 0 H VAL A 99 -8.281 0.922 5.415 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.465 -1.622 4.440 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.687 -1.207 5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.640 -3.521 6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.830 -2.542 7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.376 -3.692 6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.227 -3.050 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.969 -3.196 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.093 -1.720 3.181 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.672 -1.773 6.590 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.341 -1.855 7.909 1.00 0.00 C ATOM 1411 C TYR A 100 -10.652 -2.966 8.700 1.00 0.00 C ATOM 1412 O TYR A 100 -10.125 -3.900 8.127 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.825 -2.152 7.742 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.573 -1.429 8.829 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.490 -0.035 8.908 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.332 -2.140 9.763 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.165 0.652 9.916 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.007 -1.453 10.777 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.924 -0.057 10.855 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.592 0.619 11.855 1.00 0.00 O ATOM 0 H TYR A 100 -11.160 -2.215 5.811 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.262 -0.905 8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.170 -1.826 6.761 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.007 -3.225 7.803 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.901 0.511 8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.397 -3.216 9.702 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.103 1.729 9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.593 -2.000 11.501 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.359 0.087 12.154 1.00 0.00 H new ATOM 1430 N SER A 101 -10.597 -2.865 9.998 1.00 0.00 N ATOM 1431 CA SER A 101 -9.883 -3.901 10.774 1.00 0.00 C ATOM 1432 C SER A 101 -10.625 -4.140 12.101 1.00 0.00 C ATOM 1433 O SER A 101 -10.530 -3.357 13.026 1.00 0.00 O ATOM 1434 CB SER A 101 -8.467 -3.363 11.008 1.00 0.00 C ATOM 1435 OG SER A 101 -8.509 -1.955 10.886 1.00 0.00 O ATOM 0 H SER A 101 -11.014 -2.113 10.547 1.00 0.00 H new ATOM 0 HA SER A 101 -9.839 -4.857 10.252 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.109 -3.649 11.997 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.773 -3.788 10.283 1.00 0.00 H new ATOM 0 HG SER A 101 -7.632 -1.625 10.599 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.380 -5.211 12.185 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.148 -5.516 13.434 1.00 0.00 C ATOM 1443 C ILE A 102 -11.267 -6.373 14.363 1.00 0.00 C ATOM 1444 O ILE A 102 -11.071 -7.542 14.107 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.407 -6.306 13.056 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -13.858 -5.907 11.643 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.522 -5.992 14.055 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.312 -6.331 11.414 1.00 0.00 C ATOM 0 H ILE A 102 -11.497 -5.892 11.435 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.428 -4.593 13.942 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.187 -7.373 13.078 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.761 -4.829 11.513 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.213 -6.377 10.901 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.418 -6.552 13.788 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.202 -6.275 15.058 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.741 -4.925 14.032 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.621 -6.043 10.409 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.397 -7.412 11.524 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -15.954 -5.840 12.146 1.00 0.00 H new ATOM 1460 N PRO A 103 -10.744 -5.771 15.407 1.00 0.00 N ATOM 1461 CA PRO A 103 -9.848 -6.470 16.391 1.00 0.00 C ATOM 1462 C PRO A 103 -10.589 -7.556 17.183 1.00 0.00 C ATOM 1463 O PRO A 103 -10.133 -8.679 17.265 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.372 -5.341 17.297 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.399 -4.229 17.173 1.00 0.00 C ATOM 1466 CD PRO A 103 -10.974 -4.334 15.760 1.00 0.00 C ATOM 0 HA PRO A 103 -9.030 -7.002 15.905 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.290 -5.680 18.330 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.384 -4.992 16.996 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.184 -4.339 17.922 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.939 -3.254 17.334 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.033 -4.077 15.735 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.467 -3.662 15.067 1.00 0.00 H new ATOM 1474 N TRP A 104 -11.707 -7.248 17.783 1.00 0.00 N ATOM 1475 CA TRP A 104 -12.420 -8.301 18.571 1.00 0.00 C ATOM 1476 C TRP A 104 -12.756 -9.514 17.686 1.00 0.00 C ATOM 1477 O TRP A 104 -13.210 -10.528 18.176 1.00 0.00 O ATOM 1478 CB TRP A 104 -13.714 -7.729 19.176 1.00 0.00 C ATOM 1479 CG TRP A 104 -14.732 -7.454 18.108 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -15.535 -8.381 17.523 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.088 -6.175 17.508 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.344 -7.752 16.597 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.106 -6.393 16.548 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.627 -4.862 17.697 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.644 -5.343 15.804 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.169 -3.804 16.952 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.175 -4.044 16.005 1.00 0.00 C ATOM 0 H TRP A 104 -12.153 -6.331 17.765 1.00 0.00 H new ATOM 0 HA TRP A 104 -11.759 -8.627 19.374 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -14.123 -8.433 19.900 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -13.491 -6.809 19.716 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.540 -9.438 17.746 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.034 -8.233 16.020 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.850 -4.665 18.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.419 -5.534 15.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.809 -2.798 17.109 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.586 -3.226 15.433 1.00 0.00 H new ATOM 1498 N LEU A 105 -12.582 -9.418 16.391 1.00 0.00 N ATOM 1499 CA LEU A 105 -12.932 -10.539 15.507 1.00 0.00 C ATOM 1500 C LEU A 105 -11.821 -10.770 14.477 1.00 0.00 C ATOM 1501 O LEU A 105 -12.005 -11.490 13.516 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.181 -10.090 14.807 1.00 0.00 C ATOM 1503 CG LEU A 105 -15.344 -11.073 14.972 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -15.279 -12.136 13.873 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -15.304 -11.749 16.346 1.00 0.00 C ATOM 0 H LEU A 105 -12.208 -8.596 15.917 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.066 -11.471 16.056 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.478 -9.115 15.194 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -13.970 -9.960 13.746 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.277 -10.516 14.892 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.107 -12.834 13.993 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.348 -11.655 12.897 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.335 -12.677 13.945 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.141 -12.441 16.435 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.367 -12.296 16.455 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.375 -10.991 17.126 1.00 0.00 H new ATOM 1517 N ASN A 106 -10.671 -10.178 14.681 1.00 0.00 N ATOM 1518 CA ASN A 106 -9.538 -10.359 13.737 1.00 0.00 C ATOM 1519 C ASN A 106 -10.054 -10.476 12.303 1.00 0.00 C ATOM 1520 O ASN A 106 -9.846 -11.466 11.631 1.00 0.00 O ATOM 1521 CB ASN A 106 -8.790 -11.615 14.139 1.00 0.00 C ATOM 1522 CG ASN A 106 -7.379 -11.589 13.548 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.193 -11.227 12.404 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -6.369 -11.961 14.287 1.00 0.00 N ATOM 0 H ASN A 106 -10.471 -9.569 15.475 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.871 -9.498 13.778 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.738 -11.686 15.225 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.326 -12.497 13.787 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.424 -11.947 13.903 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.525 -12.265 15.248 1.00 0.00 H new ATOM 1531 N GLN A 107 -10.731 -9.466 11.838 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.274 -9.499 10.454 1.00 0.00 C ATOM 1533 C GLN A 107 -10.825 -8.249 9.692 1.00 0.00 C ATOM 1534 O GLN A 107 -11.417 -7.193 9.806 1.00 0.00 O ATOM 1535 CB GLN A 107 -12.801 -9.542 10.508 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.361 -9.559 9.084 1.00 0.00 C ATOM 1537 CD GLN A 107 -13.044 -10.904 8.428 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -12.850 -11.893 9.106 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -12.981 -10.983 7.128 1.00 0.00 N ATOM 0 H GLN A 107 -10.933 -8.614 12.361 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.901 -10.386 9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.132 -10.427 11.051 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.181 -8.676 11.049 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.439 -9.397 9.104 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.927 -8.747 8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.144 -10.153 6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.769 -11.875 6.681 1.00 0.00 H new ATOM 1548 N ILE A 108 -9.788 -8.366 8.910 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.298 -7.196 8.128 1.00 0.00 C ATOM 1550 C ILE A 108 -9.902 -7.279 6.720 1.00 0.00 C ATOM 1551 O ILE A 108 -10.109 -8.355 6.194 1.00 0.00 O ATOM 1552 CB ILE A 108 -7.754 -7.244 8.091 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.198 -5.975 8.753 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.230 -7.371 6.652 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -5.793 -5.655 8.244 1.00 0.00 C ATOM 0 H ILE A 108 -9.256 -9.226 8.778 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.598 -6.251 8.581 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.417 -8.125 8.638 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.862 -5.135 8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.174 -6.107 9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.140 -7.402 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.615 -8.287 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -7.563 -6.514 6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.427 -4.751 8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.125 -6.486 8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -5.823 -5.499 7.166 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.199 -6.167 6.102 1.00 0.00 N ATOM 1568 CA LYS A 109 -10.800 -6.239 4.739 1.00 0.00 C ATOM 1569 C LYS A 109 -10.446 -4.999 3.912 1.00 0.00 C ATOM 1570 O LYS A 109 -10.603 -3.871 4.350 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.321 -6.341 4.862 1.00 0.00 C ATOM 1572 CG LYS A 109 -12.949 -6.274 3.469 1.00 0.00 C ATOM 1573 CD LYS A 109 -13.902 -7.456 3.280 1.00 0.00 C ATOM 1574 CE LYS A 109 -13.122 -8.665 2.763 1.00 0.00 C ATOM 1575 NZ LYS A 109 -14.054 -9.600 2.073 1.00 0.00 N ATOM 0 H LYS A 109 -10.055 -5.228 6.474 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.399 -7.118 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.595 -7.275 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.702 -5.531 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.489 -5.335 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.171 -6.296 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.387 -7.700 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.691 -7.191 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.341 -8.340 2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.627 -9.173 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.523 -10.422 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.784 -9.919 2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.506 -9.112 1.274 1.00 0.00 H new ATOM 1589 N LEU A 110 -9.997 -5.217 2.700 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.657 -4.084 1.796 1.00 0.00 C ATOM 1591 C LEU A 110 -10.903 -3.225 1.608 1.00 0.00 C ATOM 1592 O LEU A 110 -12.011 -3.678 1.817 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.192 -4.639 0.456 1.00 0.00 C ATOM 1594 CG LEU A 110 -9.105 -3.504 -0.559 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -8.150 -2.424 -0.057 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -8.563 -4.053 -1.860 1.00 0.00 C ATOM 0 H LEU A 110 -9.851 -6.143 2.298 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.858 -3.477 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.219 -5.119 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.886 -5.403 0.106 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.097 -3.076 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.095 -1.618 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.514 -2.029 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.158 -2.853 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.496 -3.250 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.572 -4.475 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.230 -4.831 -2.233 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.747 -1.989 1.230 1.00 0.00 N ATOM 1609 CA LEU A 111 -11.944 -1.126 1.054 1.00 0.00 C ATOM 1610 C LEU A 111 -11.869 -0.396 -0.276 1.00 0.00 C ATOM 1611 O LEU A 111 -12.475 -0.795 -1.251 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.023 -0.111 2.196 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.291 -0.363 3.013 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -12.920 -1.052 4.327 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -13.982 0.969 3.312 1.00 0.00 C ATOM 0 H LEU A 111 -9.851 -1.542 1.037 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.836 -1.752 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.143 -0.196 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.030 0.903 1.796 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.968 -1.001 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.823 -1.232 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.430 -2.002 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.243 -0.413 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -14.885 0.788 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -13.307 1.610 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -14.246 1.460 2.375 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.151 0.682 -0.322 1.00 0.00 N ATOM 1628 CA GLU A 112 -11.073 1.442 -1.602 1.00 0.00 C ATOM 1629 C GLU A 112 -9.640 1.886 -1.926 1.00 0.00 C ATOM 1630 O GLU A 112 -9.311 3.051 -1.823 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.969 2.680 -1.503 1.00 0.00 C ATOM 1632 CG GLU A 112 -13.286 2.416 -2.234 1.00 0.00 C ATOM 1633 CD GLU A 112 -14.104 3.707 -2.295 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -13.588 4.690 -2.802 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -15.234 3.691 -1.834 1.00 0.00 O ATOM 0 H GLU A 112 -10.619 1.071 0.457 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.406 0.781 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.163 2.919 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.465 3.543 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.088 2.051 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.851 1.639 -1.719 1.00 0.00 H new ATOM 1642 N SER A 113 -8.799 0.988 -2.375 1.00 0.00 N ATOM 1643 CA SER A 113 -7.420 1.408 -2.762 1.00 0.00 C ATOM 1644 C SER A 113 -7.559 2.210 -4.060 1.00 0.00 C ATOM 1645 O SER A 113 -7.711 1.648 -5.127 1.00 0.00 O ATOM 1646 CB SER A 113 -6.537 0.182 -3.009 1.00 0.00 C ATOM 1647 OG SER A 113 -5.713 0.414 -4.143 1.00 0.00 O ATOM 0 H SER A 113 -9.005 -0.005 -2.489 1.00 0.00 H new ATOM 0 HA SER A 113 -6.958 1.998 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.920 -0.018 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.157 -0.700 -3.171 1.00 0.00 H new ATOM 0 HG SER A 113 -6.275 0.613 -4.921 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.559 3.514 -3.986 1.00 0.00 N ATOM 1654 CA LYS A 114 -7.747 4.320 -5.232 1.00 0.00 C ATOM 1655 C LYS A 114 -6.534 5.209 -5.500 1.00 0.00 C ATOM 1656 O LYS A 114 -6.044 5.890 -4.626 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.989 5.200 -5.077 1.00 0.00 C ATOM 1658 CG LYS A 114 -10.066 4.743 -6.064 1.00 0.00 C ATOM 1659 CD LYS A 114 -11.447 5.100 -5.512 1.00 0.00 C ATOM 1660 CE LYS A 114 -12.527 4.597 -6.472 1.00 0.00 C ATOM 1661 NZ LYS A 114 -13.334 5.751 -6.962 1.00 0.00 N ATOM 0 H LYS A 114 -7.439 4.053 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.867 3.636 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.366 5.138 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.733 6.244 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.914 5.221 -7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.994 3.667 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.584 4.652 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.532 6.179 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.068 4.078 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.171 3.878 -5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.068 5.409 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -13.783 6.228 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.714 6.422 -7.459 1.00 0.00 H new ATOM 1675 N CYS A 115 -6.060 5.215 -6.715 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.883 6.062 -7.057 1.00 0.00 C ATOM 1677 C CYS A 115 -5.293 7.101 -8.105 1.00 0.00 C ATOM 1678 O CYS A 115 -5.635 6.767 -9.222 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.762 5.184 -7.624 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.832 3.536 -6.873 1.00 0.00 S ATOM 0 H CYS A 115 -6.438 4.668 -7.488 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.528 6.566 -6.159 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.862 5.105 -8.706 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.793 5.643 -7.426 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.263 8.357 -7.753 1.00 0.00 N ATOM 1686 CA GLN A 116 -5.652 9.412 -8.732 1.00 0.00 C ATOM 1687 C GLN A 116 -4.394 10.068 -9.303 1.00 0.00 C ATOM 1688 CB GLN A 116 -6.504 10.471 -8.028 1.00 0.00 C ATOM 1689 CG GLN A 116 -6.938 11.529 -9.042 1.00 0.00 C ATOM 1690 CD GLN A 116 -8.405 11.892 -8.804 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -8.718 13.017 -8.467 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -9.324 10.979 -8.963 1.00 0.00 N ATOM 0 H GLN A 116 -4.987 8.698 -6.832 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.226 8.962 -9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.379 10.006 -7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -5.935 10.935 -7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.313 12.417 -8.948 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.805 11.152 -10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.061 10.035 -9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.305 11.210 -8.804 1.00 0.00 H new