USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 59 LYS NZ :NH3+ 175:sc= 0.624 (180deg=0.358) USER MOD Set 1.2: A 63 TYR OH : rot 9:sc= 0.223 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.26 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00861 USER MOD Single : A 7 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD Single : A 14 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -13:sc= 0.336 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.123) USER MOD Single : A 24 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.47) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.51 USER MOD Single : A 33 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.1!) USER MOD Single : A 34 HIS : no HE2:sc= 0.2 K(o=0.2,f=-0.79) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -121:sc= -2.76! (180deg=-4.21!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= -2.84 USER MOD Single : A 62 GLN : amide:sc= -0.949 X(o=-0.95,f=-0.62) USER MOD Single : A 69 LYS NZ :NH3+ -118:sc= -1.19 (180deg=-3.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -12:sc= -1.92! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 16.384 -8.057 -2.265 1.00 1.00 N ATOM 16 CA SER A 4 16.616 -7.087 -1.199 1.00 1.00 C ATOM 17 C SER A 4 15.307 -6.761 -0.499 1.00 1.00 C ATOM 18 O SER A 4 14.225 -7.022 -1.026 1.00 1.00 O ATOM 19 CB SER A 4 17.226 -5.798 -1.770 1.00 1.00 C ATOM 20 OG SER A 4 16.793 -4.686 -0.997 1.00 1.00 O ATOM 0 HA SER A 4 17.312 -7.522 -0.482 1.00 1.00 H new ATOM 0 HB2 SER A 4 18.314 -5.861 -1.758 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.926 -5.671 -2.810 1.00 1.00 H new ATOM 0 HG SER A 4 17.183 -3.864 -1.360 1.00 1.00 H new ATOM 26 N THR A 5 15.412 -6.188 0.691 1.00 1.00 N ATOM 27 CA THR A 5 14.230 -5.830 1.455 1.00 1.00 C ATOM 28 C THR A 5 13.391 -4.832 0.673 1.00 1.00 C ATOM 29 O THR A 5 12.171 -4.973 0.563 1.00 1.00 O ATOM 30 CB THR A 5 14.650 -5.196 2.784 1.00 1.00 C ATOM 31 OG1 THR A 5 15.681 -5.973 3.372 1.00 1.00 O ATOM 32 CG2 THR A 5 13.457 -5.135 3.736 1.00 1.00 C ATOM 0 H THR A 5 16.298 -5.963 1.144 1.00 1.00 H new ATOM 0 HA THR A 5 13.644 -6.730 1.643 1.00 1.00 H new ATOM 0 HB THR A 5 15.011 -4.184 2.598 1.00 1.00 H new ATOM 0 HG1 THR A 5 15.952 -5.567 4.222 1.00 1.00 H new ATOM 0 HG21 THR A 5 13.766 -4.683 4.678 1.00 1.00 H new ATOM 0 HG22 THR A 5 12.665 -4.535 3.288 1.00 1.00 H new ATOM 0 HG23 THR A 5 13.088 -6.144 3.922 1.00 1.00 H new ATOM 40 N LEU A 6 14.053 -3.818 0.135 1.00 1.00 N ATOM 41 CA LEU A 6 13.362 -2.795 -0.627 1.00 1.00 C ATOM 42 C LEU A 6 12.803 -3.363 -1.923 1.00 1.00 C ATOM 43 O LEU A 6 11.682 -3.048 -2.323 1.00 1.00 O ATOM 44 CB LEU A 6 14.321 -1.641 -0.950 1.00 1.00 C ATOM 45 CG LEU A 6 13.520 -0.332 -1.084 1.00 1.00 C ATOM 46 CD1 LEU A 6 13.262 0.268 0.299 1.00 1.00 C ATOM 47 CD2 LEU A 6 14.302 0.667 -1.920 1.00 1.00 C ATOM 0 H LEU A 6 15.061 -3.684 0.213 1.00 1.00 H new ATOM 0 HA LEU A 6 12.534 -2.427 -0.021 1.00 1.00 H new ATOM 0 HB2 LEU A 6 15.069 -1.544 -0.163 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.858 -1.848 -1.876 1.00 1.00 H new ATOM 0 HG LEU A 6 12.569 -0.552 -1.568 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.695 1.193 0.194 1.00 1.00 H new ATOM 0 HD12 LEU A 6 12.693 -0.440 0.902 1.00 1.00 H new ATOM 0 HD13 LEU A 6 14.213 0.479 0.787 1.00 1.00 H new ATOM 0 HD21 LEU A 6 13.731 1.591 -2.012 1.00 1.00 H new ATOM 0 HD22 LEU A 6 15.257 0.877 -1.438 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.480 0.251 -2.912 1.00 1.00 H new ATOM 59 N GLN A 7 13.600 -4.195 -2.578 1.00 1.00 N ATOM 60 CA GLN A 7 13.181 -4.797 -3.830 1.00 1.00 C ATOM 61 C GLN A 7 11.899 -5.576 -3.609 1.00 1.00 C ATOM 62 O GLN A 7 10.959 -5.501 -4.403 1.00 1.00 O ATOM 63 CB GLN A 7 14.283 -5.727 -4.345 1.00 1.00 C ATOM 64 CG GLN A 7 13.881 -6.314 -5.703 1.00 1.00 C ATOM 65 CD GLN A 7 13.737 -5.200 -6.731 1.00 1.00 C ATOM 66 OE1 GLN A 7 14.728 -4.583 -7.122 1.00 1.00 O ATOM 67 NE2 GLN A 7 12.552 -4.896 -7.184 1.00 1.00 N ATOM 0 H GLN A 7 14.532 -4.465 -2.265 1.00 1.00 H new ATOM 0 HA GLN A 7 13.001 -4.018 -4.571 1.00 1.00 H new ATOM 0 HB2 GLN A 7 15.219 -5.177 -4.440 1.00 1.00 H new ATOM 0 HB3 GLN A 7 14.456 -6.530 -3.629 1.00 1.00 H new ATOM 0 HG2 GLN A 7 14.632 -7.031 -6.035 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.941 -6.857 -5.609 1.00 1.00 H new ATOM 0 HE21 GLN A 7 11.734 -5.410 -6.857 1.00 1.00 H new ATOM 0 HE22 GLN A 7 12.444 -4.144 -7.865 1.00 1.00 H new ATOM 76 N LYS A 8 11.864 -6.321 -2.516 1.00 1.00 N ATOM 77 CA LYS A 8 10.685 -7.101 -2.195 1.00 1.00 C ATOM 78 C LYS A 8 9.520 -6.160 -1.921 1.00 1.00 C ATOM 79 O LYS A 8 8.381 -6.445 -2.288 1.00 1.00 O ATOM 80 CB LYS A 8 10.934 -7.993 -0.966 1.00 1.00 C ATOM 81 CG LYS A 8 10.069 -9.260 -1.057 1.00 1.00 C ATOM 82 CD LYS A 8 10.421 -10.190 0.096 1.00 1.00 C ATOM 83 CE LYS A 8 9.741 -11.550 -0.106 1.00 1.00 C ATOM 84 NZ LYS A 8 10.175 -12.490 0.968 1.00 1.00 N ATOM 0 H LYS A 8 12.629 -6.401 -1.845 1.00 1.00 H new ATOM 0 HA LYS A 8 10.450 -7.746 -3.042 1.00 1.00 H new ATOM 0 HB2 LYS A 8 11.988 -8.265 -0.910 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.697 -7.445 -0.054 1.00 1.00 H new ATOM 0 HG2 LYS A 8 9.012 -8.997 -1.018 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.237 -9.762 -2.010 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.502 -10.319 0.154 1.00 1.00 H new ATOM 0 HD3 LYS A 8 10.101 -9.750 1.041 1.00 1.00 H new ATOM 0 HE2 LYS A 8 8.657 -11.433 -0.085 1.00 1.00 H new ATOM 0 HE3 LYS A 8 9.999 -11.955 -1.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 9.713 -13.412 0.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 11.207 -12.610 0.928 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 9.907 -12.104 1.896 1.00 1.00 H new ATOM 98 N ALA A 9 9.807 -5.038 -1.257 1.00 1.00 N ATOM 99 CA ALA A 9 8.754 -4.089 -0.943 1.00 1.00 C ATOM 100 C ALA A 9 8.095 -3.592 -2.229 1.00 1.00 C ATOM 101 O ALA A 9 6.870 -3.477 -2.314 1.00 1.00 O ATOM 102 CB ALA A 9 9.347 -2.914 -0.152 1.00 1.00 C ATOM 0 H ALA A 9 10.739 -4.774 -0.936 1.00 1.00 H new ATOM 0 HA ALA A 9 7.993 -4.578 -0.335 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.558 -2.200 0.085 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.791 -3.285 0.772 1.00 1.00 H new ATOM 0 HB3 ALA A 9 10.114 -2.422 -0.751 1.00 1.00 H new ATOM 108 N ILE A 10 8.921 -3.314 -3.230 1.00 1.00 N ATOM 109 CA ILE A 10 8.425 -2.842 -4.518 1.00 1.00 C ATOM 110 C ILE A 10 7.588 -3.929 -5.189 1.00 1.00 C ATOM 111 O ILE A 10 6.567 -3.667 -5.814 1.00 1.00 O ATOM 112 CB ILE A 10 9.588 -2.435 -5.421 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.277 -1.204 -4.830 1.00 1.00 C ATOM 114 CG2 ILE A 10 9.051 -2.085 -6.812 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.613 -0.976 -5.540 1.00 1.00 C ATOM 0 H ILE A 10 9.935 -3.407 -3.176 1.00 1.00 H new ATOM 0 HA ILE A 10 7.796 -1.968 -4.350 1.00 1.00 H new ATOM 0 HB ILE A 10 10.298 -3.258 -5.495 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.639 -0.328 -4.943 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.440 -1.344 -3.761 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.879 -1.794 -7.459 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.547 -2.953 -7.236 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.345 -1.258 -6.732 1.00 1.00 H new ATOM 0 HD11 ILE A 10 12.104 -0.099 -5.119 1.00 1.00 H new ATOM 0 HD12 ILE A 10 12.251 -1.849 -5.404 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.437 -0.817 -6.604 1.00 1.00 H new ATOM 127 N ASP A 11 8.047 -5.157 -5.111 1.00 1.00 N ATOM 128 CA ASP A 11 7.325 -6.242 -5.745 1.00 1.00 C ATOM 129 C ASP A 11 5.923 -6.379 -5.143 1.00 1.00 C ATOM 130 O ASP A 11 4.933 -6.551 -5.866 1.00 1.00 O ATOM 131 CB ASP A 11 8.105 -7.537 -5.554 1.00 1.00 C ATOM 132 CG ASP A 11 7.681 -8.573 -6.588 1.00 1.00 C ATOM 133 OD1 ASP A 11 7.493 -8.194 -7.732 1.00 1.00 O ATOM 134 OD2 ASP A 11 7.556 -9.730 -6.222 1.00 1.00 O ATOM 0 H ASP A 11 8.901 -5.429 -4.625 1.00 1.00 H new ATOM 0 HA ASP A 11 7.219 -6.030 -6.809 1.00 1.00 H new ATOM 0 HB2 ASP A 11 9.174 -7.341 -5.644 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.935 -7.926 -4.550 1.00 1.00 H new ATOM 139 N LEU A 12 5.842 -6.309 -3.813 1.00 1.00 N ATOM 140 CA LEU A 12 4.567 -6.444 -3.115 1.00 1.00 C ATOM 141 C LEU A 12 3.616 -5.299 -3.454 1.00 1.00 C ATOM 142 O LEU A 12 2.429 -5.520 -3.684 1.00 1.00 O ATOM 143 CB LEU A 12 4.824 -6.443 -1.606 1.00 1.00 C ATOM 144 CG LEU A 12 5.647 -7.677 -1.211 1.00 1.00 C ATOM 145 CD1 LEU A 12 6.229 -7.462 0.184 1.00 1.00 C ATOM 146 CD2 LEU A 12 4.763 -8.936 -1.212 1.00 1.00 C ATOM 0 H LEU A 12 6.644 -6.160 -3.201 1.00 1.00 H new ATOM 0 HA LEU A 12 4.103 -7.378 -3.431 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.355 -5.535 -1.320 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.876 -6.441 -1.068 1.00 1.00 H new ATOM 0 HG LEU A 12 6.451 -7.816 -1.934 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.815 -8.335 0.472 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.869 -6.580 0.179 1.00 1.00 H new ATOM 0 HD13 LEU A 12 5.418 -7.318 0.898 1.00 1.00 H new ATOM 0 HD21 LEU A 12 5.362 -9.802 -0.930 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.949 -8.810 -0.498 1.00 1.00 H new ATOM 0 HD23 LEU A 12 4.350 -9.090 -2.209 1.00 1.00 H new ATOM 158 N VAL A 13 4.140 -4.077 -3.480 1.00 1.00 N ATOM 159 CA VAL A 13 3.305 -2.920 -3.789 1.00 1.00 C ATOM 160 C VAL A 13 2.853 -2.958 -5.247 1.00 1.00 C ATOM 161 O VAL A 13 1.726 -2.581 -5.566 1.00 1.00 O ATOM 162 CB VAL A 13 4.063 -1.616 -3.488 1.00 1.00 C ATOM 163 CG1 VAL A 13 5.026 -1.290 -4.624 1.00 1.00 C ATOM 164 CG2 VAL A 13 3.077 -0.463 -3.331 1.00 1.00 C ATOM 0 H VAL A 13 5.120 -3.864 -3.295 1.00 1.00 H new ATOM 0 HA VAL A 13 2.418 -2.955 -3.157 1.00 1.00 H new ATOM 0 HB VAL A 13 4.623 -1.751 -2.563 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.556 -0.365 -4.398 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.745 -2.102 -4.736 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.467 -1.170 -5.552 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.623 0.456 -3.118 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.509 -0.342 -4.253 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.394 -0.678 -2.509 1.00 1.00 H new ATOM 174 N THR A 14 3.738 -3.420 -6.126 1.00 1.00 N ATOM 175 CA THR A 14 3.411 -3.510 -7.542 1.00 1.00 C ATOM 176 C THR A 14 2.195 -4.410 -7.727 1.00 1.00 C ATOM 177 O THR A 14 1.220 -4.049 -8.406 1.00 1.00 O ATOM 178 CB THR A 14 4.608 -4.080 -8.312 1.00 1.00 C ATOM 179 OG1 THR A 14 5.715 -3.201 -8.171 1.00 1.00 O ATOM 180 CG2 THR A 14 4.257 -4.222 -9.795 1.00 1.00 C ATOM 0 H THR A 14 4.678 -3.735 -5.884 1.00 1.00 H new ATOM 0 HA THR A 14 3.182 -2.516 -7.927 1.00 1.00 H new ATOM 0 HB THR A 14 4.860 -5.061 -7.910 1.00 1.00 H new ATOM 0 HG1 THR A 14 6.302 -3.526 -7.456 1.00 1.00 H new ATOM 0 HG21 THR A 14 5.113 -4.628 -10.334 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.407 -4.895 -9.905 1.00 1.00 H new ATOM 0 HG23 THR A 14 4.001 -3.244 -10.203 1.00 1.00 H new ATOM 188 N LYS A 15 2.229 -5.568 -7.086 1.00 1.00 N ATOM 189 CA LYS A 15 1.101 -6.479 -7.164 1.00 1.00 C ATOM 190 C LYS A 15 -0.122 -5.834 -6.523 1.00 1.00 C ATOM 191 O LYS A 15 -1.230 -5.926 -7.037 1.00 1.00 O ATOM 192 CB LYS A 15 1.435 -7.778 -6.456 1.00 1.00 C ATOM 193 CG LYS A 15 0.317 -8.788 -6.714 1.00 1.00 C ATOM 194 CD LYS A 15 0.641 -10.090 -5.994 1.00 1.00 C ATOM 195 CE LYS A 15 1.893 -10.730 -6.597 1.00 1.00 C ATOM 196 NZ LYS A 15 1.904 -12.190 -6.273 1.00 1.00 N ATOM 0 H LYS A 15 3.010 -5.894 -6.517 1.00 1.00 H new ATOM 0 HA LYS A 15 0.885 -6.695 -8.210 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.386 -8.169 -6.817 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.547 -7.605 -5.386 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -0.636 -8.392 -6.362 1.00 1.00 H new ATOM 0 HG3 LYS A 15 0.212 -8.967 -7.784 1.00 1.00 H new ATOM 0 HD2 LYS A 15 0.797 -9.898 -4.933 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -0.201 -10.777 -6.073 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.906 -10.585 -7.677 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.788 -10.251 -6.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 2.754 -12.630 -6.681 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 1.910 -12.316 -5.241 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 1.056 -12.640 -6.672 1.00 1.00 H new ATOM 210 N ALA A 16 0.076 -5.182 -5.388 1.00 1.00 N ATOM 211 CA ALA A 16 -1.032 -4.545 -4.701 1.00 1.00 C ATOM 212 C ALA A 16 -1.804 -3.632 -5.643 1.00 1.00 C ATOM 213 O ALA A 16 -3.034 -3.605 -5.627 1.00 1.00 O ATOM 214 CB ALA A 16 -0.511 -3.723 -3.519 1.00 1.00 C ATOM 0 H ALA A 16 0.982 -5.081 -4.929 1.00 1.00 H new ATOM 0 HA ALA A 16 -1.701 -5.327 -4.342 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.349 -3.248 -3.009 1.00 1.00 H new ATOM 0 HB2 ALA A 16 0.013 -4.378 -2.823 1.00 1.00 H new ATOM 0 HB3 ALA A 16 0.174 -2.957 -3.882 1.00 1.00 H new ATOM 220 N THR A 17 -1.078 -2.878 -6.450 1.00 1.00 N ATOM 221 CA THR A 17 -1.719 -1.960 -7.375 1.00 1.00 C ATOM 222 C THR A 17 -2.491 -2.726 -8.441 1.00 1.00 C ATOM 223 O THR A 17 -3.582 -2.316 -8.842 1.00 1.00 O ATOM 224 CB THR A 17 -0.673 -1.064 -8.046 1.00 1.00 C ATOM 225 OG1 THR A 17 0.320 -1.882 -8.653 1.00 1.00 O ATOM 226 CG2 THR A 17 -0.004 -0.148 -7.012 1.00 1.00 C ATOM 0 H THR A 17 -0.059 -2.882 -6.484 1.00 1.00 H new ATOM 0 HA THR A 17 -2.415 -1.340 -6.810 1.00 1.00 H new ATOM 0 HB THR A 17 -1.167 -0.447 -8.796 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.224 -2.804 -8.334 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.736 0.481 -7.508 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.759 0.482 -6.542 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.487 -0.755 -6.252 1.00 1.00 H new ATOM 234 N GLU A 18 -1.940 -3.855 -8.880 1.00 1.00 N ATOM 235 CA GLU A 18 -2.628 -4.657 -9.889 1.00 1.00 C ATOM 236 C GLU A 18 -3.929 -5.224 -9.312 1.00 1.00 C ATOM 237 O GLU A 18 -4.965 -5.242 -9.984 1.00 1.00 O ATOM 238 CB GLU A 18 -1.701 -5.789 -10.410 1.00 1.00 C ATOM 239 CG GLU A 18 -2.053 -7.147 -9.785 1.00 1.00 C ATOM 240 CD GLU A 18 -1.038 -8.209 -10.190 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.182 -7.905 -11.000 1.00 1.00 O ATOM 242 OE2 GLU A 18 -1.134 -9.311 -9.676 1.00 1.00 O ATOM 0 H GLU A 18 -1.045 -4.228 -8.564 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.881 -4.020 -10.737 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.783 -5.856 -11.495 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.664 -5.543 -10.184 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.078 -7.057 -8.699 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.050 -7.451 -10.103 1.00 1.00 H new ATOM 249 N GLU A 19 -3.872 -5.676 -8.059 1.00 1.00 N ATOM 250 CA GLU A 19 -5.041 -6.227 -7.398 1.00 1.00 C ATOM 251 C GLU A 19 -6.087 -5.147 -7.166 1.00 1.00 C ATOM 252 O GLU A 19 -7.284 -5.376 -7.339 1.00 1.00 O ATOM 253 CB GLU A 19 -4.624 -6.839 -6.058 1.00 1.00 C ATOM 254 CG GLU A 19 -3.816 -8.125 -6.286 1.00 1.00 C ATOM 255 CD GLU A 19 -4.677 -9.188 -6.965 1.00 1.00 C ATOM 256 OE1 GLU A 19 -5.889 -9.081 -6.883 1.00 1.00 O ATOM 257 OE2 GLU A 19 -4.109 -10.080 -7.563 1.00 1.00 O ATOM 0 H GLU A 19 -3.027 -5.669 -7.487 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.476 -6.996 -8.036 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.028 -6.122 -5.493 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -5.509 -7.059 -5.460 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.943 -7.908 -6.902 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -3.447 -8.503 -5.333 1.00 1.00 H new ATOM 264 N ASP A 20 -5.635 -3.961 -6.782 1.00 1.00 N ATOM 265 CA ASP A 20 -6.555 -2.860 -6.543 1.00 1.00 C ATOM 266 C ASP A 20 -7.353 -2.577 -7.806 1.00 1.00 C ATOM 267 O ASP A 20 -8.562 -2.348 -7.752 1.00 1.00 O ATOM 268 CB ASP A 20 -5.774 -1.614 -6.135 1.00 1.00 C ATOM 269 CG ASP A 20 -6.728 -0.560 -5.583 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.341 -0.821 -4.561 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.833 0.492 -6.192 1.00 1.00 O ATOM 0 H ASP A 20 -4.651 -3.739 -6.631 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.239 -3.131 -5.739 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.029 -1.872 -5.383 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.235 -1.215 -6.994 1.00 1.00 H new ATOM 276 N LYS A 21 -6.673 -2.611 -8.946 1.00 1.00 N ATOM 277 CA LYS A 21 -7.343 -2.376 -10.210 1.00 1.00 C ATOM 278 C LYS A 21 -8.339 -3.492 -10.490 1.00 1.00 C ATOM 279 O LYS A 21 -9.437 -3.251 -10.990 1.00 1.00 O ATOM 280 CB LYS A 21 -6.326 -2.308 -11.350 1.00 1.00 C ATOM 281 CG LYS A 21 -5.452 -1.058 -11.180 1.00 1.00 C ATOM 282 CD LYS A 21 -4.369 -1.011 -12.300 1.00 1.00 C ATOM 283 CE LYS A 21 -2.980 -0.802 -11.680 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.999 -0.497 -12.750 1.00 1.00 N ATOM 0 H LYS A 21 -5.673 -2.797 -9.017 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.871 -1.425 -10.146 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.704 -3.203 -11.351 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.841 -2.277 -12.310 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -6.071 -0.162 -11.223 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.974 -1.068 -10.200 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.385 -1.939 -12.872 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.590 -0.203 -12.997 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -3.012 0.014 -10.958 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.675 -1.696 -11.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -1.059 -0.356 -12.329 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.962 -1.289 -13.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -2.288 0.368 -13.250 1.00 1.00 H new ATOM 298 N ALA A 22 -7.945 -4.719 -10.160 1.00 1.00 N ATOM 299 CA ALA A 22 -8.812 -5.868 -10.380 1.00 1.00 C ATOM 300 C ALA A 22 -9.958 -5.883 -9.376 1.00 1.00 C ATOM 301 O ALA A 22 -10.670 -6.874 -9.257 1.00 1.00 O ATOM 302 CB ALA A 22 -8.002 -7.160 -10.280 1.00 1.00 C ATOM 0 H ALA A 22 -7.040 -4.940 -9.744 1.00 1.00 H new ATOM 0 HA ALA A 22 -9.239 -5.792 -11.380 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -8.658 -8.015 -10.446 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.215 -7.155 -11.034 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.555 -7.233 -9.289 1.00 1.00 H new ATOM 308 N LYS A 23 -10.100 -4.772 -8.655 1.00 1.00 N ATOM 309 CA LYS A 23 -11.160 -4.634 -7.649 1.00 1.00 C ATOM 310 C LYS A 23 -10.920 -5.585 -6.486 1.00 1.00 C ATOM 311 O LYS A 23 -11.840 -5.930 -5.753 1.00 1.00 O ATOM 312 CB LYS A 23 -12.530 -4.922 -8.264 1.00 1.00 C ATOM 313 CG LYS A 23 -12.700 -4.112 -9.552 1.00 1.00 C ATOM 314 CD LYS A 23 -12.710 -2.612 -9.229 1.00 1.00 C ATOM 315 CE LYS A 23 -13.310 -1.836 -10.400 1.00 1.00 C ATOM 316 NZ LYS A 23 -14.800 -1.975 -10.370 1.00 1.00 N ATOM 0 H LYS A 23 -9.497 -3.954 -8.746 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.142 -3.607 -7.283 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.627 -5.987 -8.477 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.318 -4.666 -7.556 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.889 -4.338 -10.244 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.629 -4.392 -10.048 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.290 -2.429 -8.324 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.695 -2.266 -9.033 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -13.029 -0.785 -10.337 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -12.916 -2.215 -11.343 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -15.229 -1.249 -10.979 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -15.068 -2.919 -10.715 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -15.140 -1.853 -9.395 1.00 1.00 H new ATOM 330 N ASN A 24 -9.673 -6.006 -6.319 1.00 1.00 N ATOM 331 CA ASN A 24 -9.316 -6.922 -5.236 1.00 1.00 C ATOM 332 C ASN A 24 -8.807 -6.135 -4.021 1.00 1.00 C ATOM 333 O ASN A 24 -7.635 -6.205 -3.664 1.00 1.00 O ATOM 334 CB ASN A 24 -8.236 -7.905 -5.739 1.00 1.00 C ATOM 335 CG ASN A 24 -8.818 -9.291 -6.002 1.00 1.00 C ATOM 336 OD1 ASN A 24 -9.977 -9.421 -6.397 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.067 -10.330 -5.786 1.00 1.00 N ATOM 0 H ASN A 24 -8.892 -5.731 -6.915 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.197 -7.485 -4.929 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -7.788 -7.518 -6.654 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -7.438 -7.979 -5.000 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -8.436 -11.268 -5.944 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.109 -10.207 -5.459 1.00 1.00 H new ATOM 344 N TYR A 25 -9.694 -5.375 -3.402 1.00 1.00 N ATOM 345 CA TYR A 25 -9.313 -4.573 -2.241 1.00 1.00 C ATOM 346 C TYR A 25 -8.718 -5.458 -1.153 1.00 1.00 C ATOM 347 O TYR A 25 -7.743 -5.082 -0.511 1.00 1.00 O ATOM 348 CB TYR A 25 -10.530 -3.840 -1.695 1.00 1.00 C ATOM 349 CG TYR A 25 -11.350 -3.277 -2.841 1.00 1.00 C ATOM 350 CD1 TYR A 25 -10.720 -2.592 -3.897 1.00 1.00 C ATOM 351 CD2 TYR A 25 -12.740 -3.454 -2.853 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.490 -2.086 -4.953 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.500 -2.947 -3.916 1.00 1.00 C ATOM 354 CZ TYR A 25 -12.870 -2.264 -4.965 1.00 1.00 C ATOM 355 OH TYR A 25 -13.620 -1.771 -6.013 1.00 1.00 O ATOM 0 H TYR A 25 -10.673 -5.293 -3.676 1.00 1.00 H new ATOM 0 HA TYR A 25 -8.562 -3.847 -2.553 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.139 -4.521 -1.100 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.213 -3.034 -1.033 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -9.648 -2.457 -3.893 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.225 -3.980 -2.044 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.010 -1.555 -5.762 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.571 -3.083 -3.927 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.566 -1.982 -5.866 1.00 1.00 H new ATOM 365 N GLU A 26 -9.307 -6.627 -0.941 1.00 1.00 N ATOM 366 CA GLU A 26 -8.807 -7.533 0.087 1.00 1.00 C ATOM 367 C GLU A 26 -7.366 -7.948 -0.193 1.00 1.00 C ATOM 368 O GLU A 26 -6.491 -7.819 0.670 1.00 1.00 O ATOM 369 CB GLU A 26 -9.692 -8.785 0.142 1.00 1.00 C ATOM 370 CG GLU A 26 -10.970 -8.470 0.904 1.00 1.00 C ATOM 371 CD GLU A 26 -11.890 -9.685 0.899 1.00 1.00 C ATOM 372 OE1 GLU A 26 -11.460 -10.720 0.425 1.00 1.00 O ATOM 373 OE2 GLU A 26 -13.010 -9.560 1.371 1.00 1.00 O ATOM 0 H GLU A 26 -10.118 -6.968 -1.457 1.00 1.00 H new ATOM 0 HA GLU A 26 -8.835 -7.009 1.043 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -9.931 -9.119 -0.868 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.157 -9.600 0.629 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -10.732 -8.187 1.929 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -11.475 -7.619 0.448 1.00 1.00 H new ATOM 380 N GLU A 27 -7.118 -8.442 -1.400 1.00 1.00 N ATOM 381 CA GLU A 27 -5.776 -8.872 -1.758 1.00 1.00 C ATOM 382 C GLU A 27 -4.844 -7.666 -1.801 1.00 1.00 C ATOM 383 O GLU A 27 -3.741 -7.696 -1.255 1.00 1.00 O ATOM 384 CB GLU A 27 -5.792 -9.566 -3.129 1.00 1.00 C ATOM 385 CG GLU A 27 -4.605 -10.520 -3.256 1.00 1.00 C ATOM 386 CD GLU A 27 -4.843 -11.760 -2.408 1.00 1.00 C ATOM 387 OE1 GLU A 27 -5.924 -11.880 -1.854 1.00 1.00 O ATOM 388 OE2 GLU A 27 -3.941 -12.580 -2.325 1.00 1.00 O ATOM 0 H GLU A 27 -7.817 -8.553 -2.135 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.418 -9.578 -1.009 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -6.724 -10.116 -3.254 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -5.753 -8.819 -3.922 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.466 -10.804 -4.299 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.690 -10.021 -2.936 1.00 1.00 H new ATOM 395 N ALA A 28 -5.306 -6.603 -2.454 1.00 1.00 N ATOM 396 CA ALA A 28 -4.518 -5.386 -2.569 1.00 1.00 C ATOM 397 C ALA A 28 -4.115 -4.881 -1.190 1.00 1.00 C ATOM 398 O ALA A 28 -2.960 -4.521 -0.973 1.00 1.00 O ATOM 399 CB ALA A 28 -5.321 -4.307 -3.302 1.00 1.00 C ATOM 0 H ALA A 28 -6.218 -6.562 -2.909 1.00 1.00 H new ATOM 0 HA ALA A 28 -3.616 -5.610 -3.139 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -4.722 -3.400 -3.383 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -5.580 -4.661 -4.300 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.233 -4.091 -2.746 1.00 1.00 H new ATOM 405 N LEU A 29 -5.066 -4.856 -0.263 1.00 1.00 N ATOM 406 CA LEU A 29 -4.792 -4.383 1.086 1.00 1.00 C ATOM 407 C LEU A 29 -3.696 -5.202 1.731 1.00 1.00 C ATOM 408 O LEU A 29 -2.768 -4.653 2.327 1.00 1.00 O ATOM 409 CB LEU A 29 -6.069 -4.518 1.930 1.00 1.00 C ATOM 410 CG LEU A 29 -5.799 -4.205 3.415 1.00 1.00 C ATOM 411 CD1 LEU A 29 -5.529 -2.728 3.610 1.00 1.00 C ATOM 412 CD2 LEU A 29 -7.009 -4.606 4.248 1.00 1.00 C ATOM 0 H LEU A 29 -6.028 -5.156 -0.421 1.00 1.00 H new ATOM 0 HA LEU A 29 -4.471 -3.343 1.033 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -6.833 -3.841 1.547 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -6.464 -5.530 1.836 1.00 1.00 H new ATOM 0 HG LEU A 29 -4.922 -4.769 3.734 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -5.341 -2.529 4.665 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -4.657 -2.437 3.025 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -6.395 -2.153 3.281 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.817 -4.384 5.298 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -7.883 -4.047 3.913 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.194 -5.674 4.130 1.00 1.00 H new ATOM 424 N ARG A 30 -3.805 -6.512 1.627 1.00 1.00 N ATOM 425 CA ARG A 30 -2.804 -7.364 2.235 1.00 1.00 C ATOM 426 C ARG A 30 -1.422 -7.037 1.678 1.00 1.00 C ATOM 427 O ARG A 30 -0.442 -6.938 2.424 1.00 1.00 O ATOM 428 CB ARG A 30 -3.152 -8.823 1.961 1.00 1.00 C ATOM 429 CG ARG A 30 -4.341 -9.241 2.828 1.00 1.00 C ATOM 430 CD ARG A 30 -4.767 -10.660 2.453 1.00 1.00 C ATOM 431 NE ARG A 30 -3.691 -11.600 2.746 1.00 1.00 N ATOM 432 CZ ARG A 30 -2.809 -11.970 1.815 1.00 1.00 C ATOM 433 NH1 ARG A 30 -2.874 -11.470 0.609 1.00 1.00 N ATOM 434 NH2 ARG A 30 -1.875 -12.830 2.114 1.00 1.00 N ATOM 0 H ARG A 30 -4.557 -7.000 1.140 1.00 1.00 H new ATOM 0 HA ARG A 30 -2.789 -7.192 3.311 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -3.393 -8.958 0.907 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -2.292 -9.458 2.175 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -4.069 -9.198 3.883 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -5.171 -8.550 2.684 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -5.664 -10.937 3.007 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.021 -10.704 1.394 1.00 1.00 H new ATOM 0 HE ARG A 30 -3.610 -11.985 3.687 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -3.601 -10.794 0.376 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -2.198 -11.756 -0.099 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -1.821 -13.217 3.056 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -1.199 -13.116 1.406 1.00 1.00 H new ATOM 448 N LEU A 31 -1.350 -6.863 0.366 1.00 1.00 N ATOM 449 CA LEU A 31 -0.088 -6.543 -0.283 1.00 1.00 C ATOM 450 C LEU A 31 0.414 -5.163 0.140 1.00 1.00 C ATOM 451 O LEU A 31 1.612 -4.967 0.346 1.00 1.00 O ATOM 452 CB LEU A 31 -0.265 -6.584 -1.798 1.00 1.00 C ATOM 453 CG LEU A 31 -0.707 -7.990 -2.225 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.174 -7.945 -3.681 1.00 1.00 C ATOM 455 CD2 LEU A 31 0.454 -8.985 -2.084 1.00 1.00 C ATOM 0 H LEU A 31 -2.147 -6.938 -0.267 1.00 1.00 H new ATOM 0 HA LEU A 31 0.651 -7.284 0.022 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.007 -5.848 -2.108 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.671 -6.320 -2.291 1.00 1.00 H new ATOM 0 HG LEU A 31 -1.523 -8.319 -1.582 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -1.490 -8.941 -3.993 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.011 -7.253 -3.773 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -0.354 -7.609 -4.316 1.00 1.00 H new ATOM 0 HD21 LEU A 31 0.122 -9.977 -2.391 1.00 1.00 H new ATOM 0 HD22 LEU A 31 1.284 -8.668 -2.716 1.00 1.00 H new ATOM 0 HD23 LEU A 31 0.781 -9.017 -1.045 1.00 1.00 H new ATOM 467 N TYR A 32 -0.504 -4.203 0.255 1.00 1.00 N ATOM 468 CA TYR A 32 -0.129 -2.843 0.639 1.00 1.00 C ATOM 469 C TYR A 32 0.546 -2.830 2.009 1.00 1.00 C ATOM 470 O TYR A 32 1.612 -2.237 2.183 1.00 1.00 O ATOM 471 CB TYR A 32 -1.383 -1.941 0.676 1.00 1.00 C ATOM 472 CG TYR A 32 -1.661 -1.366 -0.699 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.715 -0.530 -1.307 1.00 1.00 C ATOM 474 CD2 TYR A 32 -2.856 -1.670 -1.364 1.00 1.00 C ATOM 475 CE1 TYR A 32 -0.960 0.005 -2.576 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.099 -1.138 -2.637 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.153 -0.301 -3.243 1.00 1.00 C ATOM 478 OH TYR A 32 -2.395 0.214 -4.500 1.00 1.00 O ATOM 0 H TYR A 32 -1.501 -4.339 0.090 1.00 1.00 H new ATOM 0 HA TYR A 32 0.575 -2.463 -0.101 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.243 -2.517 1.017 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.236 -1.133 1.392 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.207 -0.298 -0.794 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.588 -2.312 -0.897 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.231 0.653 -3.040 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.018 -1.374 -3.153 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.267 -0.098 -4.819 1.00 1.00 H new ATOM 488 N GLN A 33 -0.086 -3.475 2.978 1.00 1.00 N ATOM 489 CA GLN A 33 0.455 -3.512 4.330 1.00 1.00 C ATOM 490 C GLN A 33 1.802 -4.225 4.350 1.00 1.00 C ATOM 491 O GLN A 33 2.752 -3.768 4.992 1.00 1.00 O ATOM 492 CB GLN A 33 -0.528 -4.238 5.254 1.00 1.00 C ATOM 493 CG GLN A 33 -1.811 -3.413 5.395 1.00 1.00 C ATOM 494 CD GLN A 33 -2.803 -4.145 6.294 1.00 1.00 C ATOM 495 OE1 GLN A 33 -2.488 -5.205 6.834 1.00 1.00 O ATOM 496 NE2 GLN A 33 -3.990 -3.638 6.493 1.00 1.00 N ATOM 0 H GLN A 33 -0.966 -3.976 2.856 1.00 1.00 H new ATOM 0 HA GLN A 33 0.599 -2.489 4.678 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -0.761 -5.224 4.851 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -0.075 -4.393 6.233 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -1.580 -2.434 5.815 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -2.254 -3.242 4.414 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.251 -2.759 6.045 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -4.656 -4.121 7.096 1.00 1.00 H new ATOM 505 N HIS A 34 1.881 -5.341 3.639 1.00 1.00 N ATOM 506 CA HIS A 34 3.122 -6.105 3.588 1.00 1.00 C ATOM 507 C HIS A 34 4.240 -5.275 2.957 1.00 1.00 C ATOM 508 O HIS A 34 5.327 -5.139 3.524 1.00 1.00 O ATOM 509 CB HIS A 34 2.894 -7.389 2.764 1.00 1.00 C ATOM 510 CG HIS A 34 2.476 -8.514 3.676 1.00 1.00 C ATOM 511 ND1 HIS A 34 1.210 -9.077 3.627 1.00 1.00 N ATOM 512 CD2 HIS A 34 3.144 -9.178 4.671 1.00 1.00 C ATOM 513 CE1 HIS A 34 1.158 -10.030 4.569 1.00 1.00 C ATOM 514 NE2 HIS A 34 2.311 -10.130 5.236 1.00 1.00 N ATOM 0 H HIS A 34 1.113 -5.735 3.096 1.00 1.00 H new ATOM 0 HA HIS A 34 3.420 -6.366 4.603 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.127 -7.216 2.009 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.807 -7.659 2.234 1.00 1.00 H new ATOM 0 HD1 HIS A 34 0.457 -8.815 2.991 1.00 1.00 H new ATOM 0 HD2 HIS A 34 4.164 -8.988 4.969 1.00 1.00 H new ATOM 0 HE1 HIS A 34 0.290 -10.642 4.765 1.00 1.00 H new ATOM 523 N ALA A 35 3.959 -4.720 1.789 1.00 1.00 N ATOM 524 CA ALA A 35 4.944 -3.914 1.082 1.00 1.00 C ATOM 525 C ALA A 35 5.490 -2.818 1.985 1.00 1.00 C ATOM 526 O ALA A 35 6.701 -2.604 2.052 1.00 1.00 O ATOM 527 CB ALA A 35 4.316 -3.289 -0.160 1.00 1.00 C ATOM 0 H ALA A 35 3.062 -4.811 1.312 1.00 1.00 H new ATOM 0 HA ALA A 35 5.766 -4.564 0.783 1.00 1.00 H new ATOM 0 HB1 ALA A 35 5.061 -2.688 -0.681 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.957 -4.077 -0.822 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.480 -2.655 0.135 1.00 1.00 H new ATOM 533 N VAL A 36 4.597 -2.131 2.683 1.00 1.00 N ATOM 534 CA VAL A 36 5.021 -1.065 3.575 1.00 1.00 C ATOM 535 C VAL A 36 5.988 -1.612 4.619 1.00 1.00 C ATOM 536 O VAL A 36 7.010 -0.995 4.911 1.00 1.00 O ATOM 537 CB VAL A 36 3.804 -0.423 4.262 1.00 1.00 C ATOM 538 CG1 VAL A 36 4.283 0.441 5.439 1.00 1.00 C ATOM 539 CG2 VAL A 36 3.038 0.448 3.240 1.00 1.00 C ATOM 0 H VAL A 36 3.590 -2.290 2.650 1.00 1.00 H new ATOM 0 HA VAL A 36 5.530 -0.300 2.988 1.00 1.00 H new ATOM 0 HB VAL A 36 3.138 -1.200 4.637 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.423 0.898 5.929 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.819 -0.183 6.154 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.948 1.222 5.070 1.00 1.00 H new ATOM 0 HG21 VAL A 36 2.175 0.904 3.725 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.697 1.230 2.862 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.701 -0.175 2.411 1.00 1.00 H new ATOM 549 N GLU A 37 5.657 -2.767 5.174 1.00 1.00 N ATOM 550 CA GLU A 37 6.513 -3.379 6.181 1.00 1.00 C ATOM 551 C GLU A 37 7.940 -3.518 5.660 1.00 1.00 C ATOM 552 O GLU A 37 8.899 -3.137 6.329 1.00 1.00 O ATOM 553 CB GLU A 37 5.989 -4.771 6.526 1.00 1.00 C ATOM 554 CG GLU A 37 6.639 -5.251 7.825 1.00 1.00 C ATOM 555 CD GLU A 37 6.065 -6.605 8.225 1.00 1.00 C ATOM 556 OE1 GLU A 37 5.028 -6.964 7.694 1.00 1.00 O ATOM 557 OE2 GLU A 37 6.669 -7.260 9.057 1.00 1.00 O ATOM 0 H GLU A 37 4.814 -3.295 4.949 1.00 1.00 H new ATOM 0 HA GLU A 37 6.508 -2.741 7.065 1.00 1.00 H new ATOM 0 HB2 GLU A 37 4.905 -4.746 6.636 1.00 1.00 H new ATOM 0 HB3 GLU A 37 6.211 -5.466 5.717 1.00 1.00 H new ATOM 0 HG2 GLU A 37 7.718 -5.328 7.694 1.00 1.00 H new ATOM 0 HG3 GLU A 37 6.465 -4.524 8.619 1.00 1.00 H new ATOM 564 N TYR A 38 8.069 -4.074 4.461 1.00 1.00 N ATOM 565 CA TYR A 38 9.395 -4.266 3.868 1.00 1.00 C ATOM 566 C TYR A 38 10.085 -2.928 3.632 1.00 1.00 C ATOM 567 O TYR A 38 11.291 -2.800 3.833 1.00 1.00 O ATOM 568 CB TYR A 38 9.298 -5.028 2.541 1.00 1.00 C ATOM 569 CG TYR A 38 9.063 -6.494 2.805 1.00 1.00 C ATOM 570 CD1 TYR A 38 10.144 -7.328 3.106 1.00 1.00 C ATOM 571 CD2 TYR A 38 7.769 -7.017 2.753 1.00 1.00 C ATOM 572 CE1 TYR A 38 9.931 -8.687 3.353 1.00 1.00 C ATOM 573 CE2 TYR A 38 7.553 -8.375 3.002 1.00 1.00 C ATOM 574 CZ TYR A 38 8.634 -9.213 3.301 1.00 1.00 C ATOM 575 OH TYR A 38 8.422 -10.550 3.547 1.00 1.00 O ATOM 0 H TYR A 38 7.290 -4.396 3.886 1.00 1.00 H new ATOM 0 HA TYR A 38 9.985 -4.852 4.573 1.00 1.00 H new ATOM 0 HB2 TYR A 38 8.485 -4.624 1.938 1.00 1.00 H new ATOM 0 HB3 TYR A 38 10.216 -4.896 1.968 1.00 1.00 H new ATOM 0 HD1 TYR A 38 11.144 -6.922 3.148 1.00 1.00 H new ATOM 0 HD2 TYR A 38 6.935 -6.372 2.520 1.00 1.00 H new ATOM 0 HE1 TYR A 38 10.766 -9.331 3.584 1.00 1.00 H new ATOM 0 HE2 TYR A 38 6.552 -8.778 2.964 1.00 1.00 H new ATOM 0 HH TYR A 38 7.465 -10.749 3.471 1.00 1.00 H new ATOM 585 N PHE A 39 9.317 -1.938 3.203 1.00 1.00 N ATOM 586 CA PHE A 39 9.878 -0.614 2.942 1.00 1.00 C ATOM 587 C PHE A 39 10.478 -0.033 4.224 1.00 1.00 C ATOM 588 O PHE A 39 11.630 0.421 4.246 1.00 1.00 O ATOM 589 CB PHE A 39 8.764 0.319 2.420 1.00 1.00 C ATOM 590 CG PHE A 39 8.634 0.195 0.915 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.710 0.555 0.101 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.446 -0.274 0.336 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.608 0.447 -1.289 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.343 -0.381 -1.056 1.00 1.00 C ATOM 595 CZ PHE A 39 8.425 -0.022 -1.868 1.00 1.00 C ATOM 0 H PHE A 39 8.315 -2.020 3.029 1.00 1.00 H new ATOM 0 HA PHE A 39 10.665 -0.700 2.193 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.816 0.066 2.895 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.990 1.351 2.688 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.624 0.918 0.547 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.612 -0.552 0.963 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.443 0.726 -1.915 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.428 -0.741 -1.504 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.346 -0.107 -2.942 1.00 1.00 H new ATOM 605 N LEU A 40 9.686 -0.055 5.289 1.00 1.00 N ATOM 606 CA LEU A 40 10.128 0.468 6.566 1.00 1.00 C ATOM 607 C LEU A 40 11.318 -0.332 7.075 1.00 1.00 C ATOM 608 O LEU A 40 12.293 0.230 7.541 1.00 1.00 O ATOM 609 CB LEU A 40 8.986 0.382 7.582 1.00 1.00 C ATOM 610 CG LEU A 40 7.845 1.327 7.175 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.591 0.977 7.980 1.00 1.00 C ATOM 612 CD2 LEU A 40 8.232 2.791 7.450 1.00 1.00 C ATOM 0 H LEU A 40 8.737 -0.429 5.289 1.00 1.00 H new ATOM 0 HA LEU A 40 10.425 1.509 6.437 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.617 -0.642 7.640 1.00 1.00 H new ATOM 0 HB3 LEU A 40 9.351 0.646 8.574 1.00 1.00 H new ATOM 0 HG LEU A 40 7.653 1.209 6.109 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.778 1.645 7.695 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.303 -0.054 7.775 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.798 1.091 9.044 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.412 3.446 7.155 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.436 2.920 8.513 1.00 1.00 H new ATOM 0 HD23 LEU A 40 9.123 3.046 6.876 1.00 1.00 H new ATOM 624 N HIS A 41 11.246 -1.646 6.943 1.00 1.00 N ATOM 625 CA HIS A 41 12.341 -2.506 7.383 1.00 1.00 C ATOM 626 C HIS A 41 13.609 -2.253 6.564 1.00 1.00 C ATOM 627 O HIS A 41 14.720 -2.449 7.040 1.00 1.00 O ATOM 628 CB HIS A 41 11.920 -3.978 7.253 1.00 1.00 C ATOM 629 CG HIS A 41 12.745 -4.833 8.180 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.257 -5.292 9.395 1.00 1.00 N ATOM 631 CD2 HIS A 41 14.026 -5.315 8.085 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.231 -6.013 9.977 1.00 1.00 C ATOM 633 NE2 HIS A 41 14.332 -6.059 9.221 1.00 1.00 N ATOM 0 H HIS A 41 10.451 -2.141 6.539 1.00 1.00 H new ATOM 0 HA HIS A 41 12.562 -2.275 8.425 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.862 -4.085 7.492 1.00 1.00 H new ATOM 0 HB3 HIS A 41 12.050 -4.313 6.224 1.00 1.00 H new ATOM 0 HD2 HIS A 41 14.695 -5.143 7.255 1.00 1.00 H new ATOM 0 HE1 HIS A 41 13.135 -6.496 10.938 1.00 1.00 H new ATOM 0 HE2 HIS A 41 15.208 -6.537 9.431 1.00 1.00 H new ATOM 642 N ALA A 42 13.436 -1.826 5.324 1.00 1.00 N ATOM 643 CA ALA A 42 14.561 -1.565 4.449 1.00 1.00 C ATOM 644 C ALA A 42 15.340 -0.337 4.877 1.00 1.00 C ATOM 645 O ALA A 42 16.547 -0.390 5.009 1.00 1.00 O ATOM 646 CB ALA A 42 14.053 -1.360 3.022 1.00 1.00 C ATOM 0 H ALA A 42 12.524 -1.653 4.902 1.00 1.00 H new ATOM 0 HA ALA A 42 15.230 -2.424 4.502 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.896 -1.163 2.360 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.532 -2.258 2.689 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.368 -0.513 2.998 1.00 1.00 H new ATOM 652 N ILE A 43 14.640 0.749 5.145 1.00 1.00 N ATOM 653 CA ILE A 43 15.306 1.978 5.568 1.00 1.00 C ATOM 654 C ILE A 43 16.048 1.806 6.902 1.00 1.00 C ATOM 655 O ILE A 43 17.070 2.450 7.125 1.00 1.00 O ATOM 656 CB ILE A 43 14.278 3.112 5.700 1.00 1.00 C ATOM 657 CG1 ILE A 43 13.041 2.595 6.430 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.872 3.623 4.317 1.00 1.00 C ATOM 659 CD1 ILE A 43 12.016 3.721 6.603 1.00 1.00 C ATOM 0 H ILE A 43 13.624 0.812 5.080 1.00 1.00 H new ATOM 0 HA ILE A 43 16.044 2.225 4.805 1.00 1.00 H new ATOM 0 HB ILE A 43 14.726 3.930 6.264 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.597 1.773 5.869 1.00 1.00 H new ATOM 0 HG13 ILE A 43 13.325 2.199 7.405 1.00 1.00 H new ATOM 0 HG21 ILE A 43 13.143 4.426 4.425 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.752 3.999 3.795 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.431 2.808 3.743 1.00 1.00 H new ATOM 0 HD11 ILE A 43 11.139 3.338 7.125 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.459 4.530 7.183 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.720 4.097 5.624 1.00 1.00 H new ATOM 671 N LYS A 44 15.533 0.951 7.789 1.00 1.00 N ATOM 672 CA LYS A 44 16.183 0.748 9.105 1.00 1.00 C ATOM 673 C LYS A 44 17.323 -0.256 9.053 1.00 1.00 C ATOM 674 O LYS A 44 18.371 -0.049 9.661 1.00 1.00 O ATOM 675 CB LYS A 44 15.172 0.277 10.165 1.00 1.00 C ATOM 676 CG LYS A 44 13.802 0.742 9.756 1.00 1.00 C ATOM 677 CD LYS A 44 12.757 0.388 10.812 1.00 1.00 C ATOM 678 CE LYS A 44 12.750 1.452 11.907 1.00 1.00 C ATOM 679 NZ LYS A 44 11.684 1.127 12.885 1.00 1.00 N ATOM 0 H LYS A 44 14.690 0.397 7.636 1.00 1.00 H new ATOM 0 HA LYS A 44 16.589 1.722 9.379 1.00 1.00 H new ATOM 0 HB2 LYS A 44 15.193 -0.809 10.252 1.00 1.00 H new ATOM 0 HB3 LYS A 44 15.433 0.681 11.143 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.813 1.821 9.600 1.00 1.00 H new ATOM 0 HG3 LYS A 44 13.530 0.285 8.805 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.771 0.319 10.353 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.977 -0.589 11.242 1.00 1.00 H new ATOM 0 HE2 LYS A 44 13.719 1.488 12.404 1.00 1.00 H new ATOM 0 HE3 LYS A 44 12.577 2.437 11.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 11.671 1.846 13.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 10.763 1.113 12.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 11.870 0.193 13.304 1.00 1.00 H new ATOM 802 N ALA A 52 16.628 8.697 -0.345 1.00 1.00 N ATOM 803 CA ALA A 52 15.900 7.451 -0.442 1.00 1.00 C ATOM 804 C ALA A 52 14.901 7.338 0.703 1.00 1.00 C ATOM 805 O ALA A 52 13.713 7.176 0.481 1.00 1.00 O ATOM 806 CB ALA A 52 16.871 6.292 -0.329 1.00 1.00 C ATOM 0 HA ALA A 52 15.377 7.426 -1.398 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.325 5.351 -0.402 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.602 6.350 -1.135 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.385 6.340 0.631 1.00 1.00 H new ATOM 812 N LYS A 53 15.403 7.438 1.934 1.00 1.00 N ATOM 813 CA LYS A 53 14.547 7.316 3.115 1.00 1.00 C ATOM 814 C LYS A 53 13.307 8.181 2.995 1.00 1.00 C ATOM 815 O LYS A 53 12.191 7.683 3.107 1.00 1.00 O ATOM 816 CB LYS A 53 15.325 7.722 4.387 1.00 1.00 C ATOM 817 CG LYS A 53 16.079 6.521 4.964 1.00 1.00 C ATOM 818 CD LYS A 53 17.169 6.073 4.000 1.00 1.00 C ATOM 819 CE LYS A 53 18.210 5.233 4.748 1.00 1.00 C ATOM 820 NZ LYS A 53 17.570 3.999 5.279 1.00 1.00 N ATOM 0 H LYS A 53 16.389 7.602 2.139 1.00 1.00 H new ATOM 0 HA LYS A 53 14.239 6.273 3.187 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.028 8.520 4.150 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.634 8.117 5.132 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.520 6.786 5.925 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.385 5.700 5.147 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.733 5.490 3.189 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.647 6.942 3.547 1.00 1.00 H new ATOM 0 HE2 LYS A 53 19.029 4.970 4.078 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.640 5.812 5.565 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 17.676 3.971 6.313 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.559 3.999 5.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 18.027 3.163 4.861 1.00 1.00 H new ATOM 834 N GLU A 54 13.500 9.471 2.785 1.00 1.00 N ATOM 835 CA GLU A 54 12.370 10.371 2.694 1.00 1.00 C ATOM 836 C GLU A 54 11.371 9.855 1.673 1.00 1.00 C ATOM 837 O GLU A 54 10.163 9.894 1.897 1.00 1.00 O ATOM 838 CB GLU A 54 12.854 11.774 2.313 1.00 1.00 C ATOM 839 CG GLU A 54 13.079 11.870 0.805 1.00 1.00 C ATOM 840 CD GLU A 54 13.897 13.104 0.453 1.00 1.00 C ATOM 841 OE1 GLU A 54 14.824 13.408 1.186 1.00 1.00 O ATOM 842 OE2 GLU A 54 13.594 13.717 -0.556 1.00 1.00 O ATOM 0 H GLU A 54 14.414 9.911 2.676 1.00 1.00 H new ATOM 0 HA GLU A 54 11.874 10.423 3.663 1.00 1.00 H new ATOM 0 HB2 GLU A 54 12.119 12.516 2.625 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.780 12.001 2.840 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.593 10.976 0.453 1.00 1.00 H new ATOM 0 HG3 GLU A 54 12.118 11.908 0.292 1.00 1.00 H new ATOM 849 N SER A 55 11.883 9.362 0.553 1.00 1.00 N ATOM 850 CA SER A 55 11.008 8.832 -0.477 1.00 1.00 C ATOM 851 C SER A 55 10.217 7.649 0.068 1.00 1.00 C ATOM 852 O SER A 55 9.025 7.501 -0.208 1.00 1.00 O ATOM 853 CB SER A 55 11.827 8.374 -1.684 1.00 1.00 C ATOM 854 OG SER A 55 10.946 7.923 -2.703 1.00 1.00 O ATOM 0 H SER A 55 12.879 9.319 0.339 1.00 1.00 H new ATOM 0 HA SER A 55 10.321 9.620 -0.785 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.441 9.195 -2.055 1.00 1.00 H new ATOM 0 HB3 SER A 55 12.507 7.573 -1.394 1.00 1.00 H new ATOM 0 HG SER A 55 11.467 7.630 -3.480 1.00 1.00 H new ATOM 860 N ILE A 56 10.896 6.792 0.824 1.00 1.00 N ATOM 861 CA ILE A 56 10.246 5.601 1.371 1.00 1.00 C ATOM 862 C ILE A 56 9.185 5.996 2.399 1.00 1.00 C ATOM 863 O ILE A 56 8.086 5.453 2.408 1.00 1.00 O ATOM 864 CB ILE A 56 11.268 4.690 2.068 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.479 4.414 1.164 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.604 3.353 2.397 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.022 4.034 -0.232 1.00 1.00 C ATOM 0 H ILE A 56 11.880 6.895 1.070 1.00 1.00 H new ATOM 0 HA ILE A 56 9.785 5.070 0.538 1.00 1.00 H new ATOM 0 HB ILE A 56 11.608 5.194 2.972 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.115 5.298 1.117 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.081 3.610 1.588 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.324 2.701 2.892 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.753 3.522 3.057 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.260 2.881 1.476 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.892 3.842 -0.860 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.406 3.136 -0.181 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.440 4.850 -0.659 1.00 1.00 H new ATOM 879 N ARG A 57 9.540 6.936 3.273 1.00 1.00 N ATOM 880 CA ARG A 57 8.609 7.376 4.310 1.00 1.00 C ATOM 881 C ARG A 57 7.346 7.953 3.676 1.00 1.00 C ATOM 882 O ARG A 57 6.239 7.483 3.935 1.00 1.00 O ATOM 883 CB ARG A 57 9.263 8.440 5.205 1.00 1.00 C ATOM 884 CG ARG A 57 10.595 7.907 5.779 1.00 1.00 C ATOM 885 CD ARG A 57 10.833 8.469 7.181 1.00 1.00 C ATOM 886 NE ARG A 57 10.048 7.715 8.150 1.00 1.00 N ATOM 887 CZ ARG A 57 9.587 8.279 9.264 1.00 1.00 C ATOM 888 NH1 ARG A 57 9.836 9.538 9.514 1.00 1.00 N ATOM 889 NH2 ARG A 57 8.891 7.574 10.110 1.00 1.00 N ATOM 0 H ARG A 57 10.448 7.400 3.285 1.00 1.00 H new ATOM 0 HA ARG A 57 8.345 6.512 4.919 1.00 1.00 H new ATOM 0 HB2 ARG A 57 9.444 9.348 4.630 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.588 8.706 6.019 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.573 6.818 5.816 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.419 8.187 5.123 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.892 8.411 7.432 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.555 9.522 7.213 1.00 1.00 H new ATOM 0 HE ARG A 57 9.847 6.731 7.970 1.00 1.00 H new ATOM 0 HH11 ARG A 57 10.385 10.090 8.855 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.482 9.968 10.368 1.00 1.00 H new ATOM 0 HH21 ARG A 57 8.700 6.591 9.918 1.00 1.00 H new ATOM 0 HH22 ARG A 57 8.537 8.005 10.964 1.00 1.00 H new ATOM 903 N ALA A 58 7.512 8.980 2.857 1.00 1.00 N ATOM 904 CA ALA A 58 6.368 9.611 2.213 1.00 1.00 C ATOM 905 C ALA A 58 5.501 8.566 1.519 1.00 1.00 C ATOM 906 O ALA A 58 4.285 8.509 1.723 1.00 1.00 O ATOM 907 CB ALA A 58 6.856 10.632 1.183 1.00 1.00 C ATOM 0 H ALA A 58 8.416 9.391 2.624 1.00 1.00 H new ATOM 0 HA ALA A 58 5.772 10.113 2.976 1.00 1.00 H new ATOM 0 HB1 ALA A 58 5.998 11.103 0.703 1.00 1.00 H new ATOM 0 HB2 ALA A 58 7.456 11.394 1.681 1.00 1.00 H new ATOM 0 HB3 ALA A 58 7.462 10.128 0.430 1.00 1.00 H new ATOM 913 N LYS A 59 6.133 7.740 0.696 1.00 1.00 N ATOM 914 CA LYS A 59 5.408 6.707 -0.027 1.00 1.00 C ATOM 915 C LYS A 59 4.768 5.725 0.942 1.00 1.00 C ATOM 916 O LYS A 59 3.625 5.307 0.753 1.00 1.00 O ATOM 917 CB LYS A 59 6.363 5.987 -0.980 1.00 1.00 C ATOM 918 CG LYS A 59 6.850 6.964 -2.072 1.00 1.00 C ATOM 919 CD LYS A 59 5.740 7.297 -3.094 1.00 1.00 C ATOM 920 CE LYS A 59 5.174 6.020 -3.721 1.00 1.00 C ATOM 921 NZ LYS A 59 4.657 6.341 -5.080 1.00 1.00 N ATOM 0 H LYS A 59 7.136 7.765 0.514 1.00 1.00 H new ATOM 0 HA LYS A 59 4.610 7.169 -0.608 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.215 5.593 -0.426 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.860 5.136 -1.439 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.199 7.885 -1.604 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.703 6.528 -2.593 1.00 1.00 H new ATOM 0 HD2 LYS A 59 4.940 7.850 -2.601 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.141 7.944 -3.875 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.948 5.255 -3.783 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.375 5.616 -3.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 4.347 5.466 -5.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 3.852 6.995 -5.000 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 5.410 6.787 -5.642 1.00 1.00 H new ATOM 935 N CYS A 60 5.505 5.355 1.974 1.00 1.00 N ATOM 936 CA CYS A 60 4.987 4.416 2.958 1.00 1.00 C ATOM 937 C CYS A 60 3.638 4.912 3.461 1.00 1.00 C ATOM 938 O CYS A 60 2.707 4.126 3.636 1.00 1.00 O ATOM 939 CB CYS A 60 5.978 4.283 4.124 1.00 1.00 C ATOM 940 SG CYS A 60 7.208 3.019 3.725 1.00 1.00 S ATOM 0 H CYS A 60 6.453 5.685 2.153 1.00 1.00 H new ATOM 0 HA CYS A 60 4.859 3.435 2.500 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.469 5.238 4.309 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.448 4.015 5.038 1.00 1.00 H new ATOM 0 HG CYS A 60 8.049 2.906 4.710 1.00 1.00 H new ATOM 946 N VAL A 61 3.528 6.219 3.671 1.00 1.00 N ATOM 947 CA VAL A 61 2.269 6.792 4.128 1.00 1.00 C ATOM 948 C VAL A 61 1.197 6.623 3.057 1.00 1.00 C ATOM 949 O VAL A 61 0.081 6.196 3.345 1.00 1.00 O ATOM 950 CB VAL A 61 2.442 8.276 4.435 1.00 1.00 C ATOM 951 CG1 VAL A 61 1.097 8.873 4.855 1.00 1.00 C ATOM 952 CG2 VAL A 61 3.450 8.437 5.567 1.00 1.00 C ATOM 0 H VAL A 61 4.282 6.892 3.535 1.00 1.00 H new ATOM 0 HA VAL A 61 1.963 6.270 5.035 1.00 1.00 H new ATOM 0 HB VAL A 61 2.802 8.795 3.547 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.222 9.933 5.074 1.00 1.00 H new ATOM 0 HG12 VAL A 61 0.377 8.752 4.046 1.00 1.00 H new ATOM 0 HG13 VAL A 61 0.733 8.359 5.745 1.00 1.00 H new ATOM 0 HG21 VAL A 61 3.579 9.496 5.792 1.00 1.00 H new ATOM 0 HG22 VAL A 61 3.086 7.919 6.454 1.00 1.00 H new ATOM 0 HG23 VAL A 61 4.407 8.011 5.265 1.00 1.00 H new ATOM 962 N GLN A 62 1.537 6.980 1.821 1.00 1.00 N ATOM 963 CA GLN A 62 0.573 6.877 0.726 1.00 1.00 C ATOM 964 C GLN A 62 0.009 5.463 0.647 1.00 1.00 C ATOM 965 O GLN A 62 -1.210 5.269 0.553 1.00 1.00 O ATOM 966 CB GLN A 62 1.256 7.229 -0.593 1.00 1.00 C ATOM 967 CG GLN A 62 1.784 8.662 -0.514 1.00 1.00 C ATOM 968 CD GLN A 62 2.515 9.029 -1.801 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.039 8.730 -2.897 1.00 1.00 O ATOM 970 NE2 GLN A 62 3.651 9.669 -1.728 1.00 1.00 N ATOM 0 H GLN A 62 2.455 7.337 1.554 1.00 1.00 H new ATOM 0 HA GLN A 62 -0.245 7.573 0.912 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.075 6.537 -0.789 1.00 1.00 H new ATOM 0 HB3 GLN A 62 0.552 7.132 -1.419 1.00 1.00 H new ATOM 0 HG2 GLN A 62 0.957 9.353 -0.348 1.00 1.00 H new ATOM 0 HG3 GLN A 62 2.459 8.762 0.336 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.041 9.914 -0.818 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.149 9.924 -2.581 1.00 1.00 H new ATOM 979 N TYR A 63 0.895 4.477 0.697 1.00 1.00 N ATOM 980 CA TYR A 63 0.468 3.086 0.636 1.00 1.00 C ATOM 981 C TYR A 63 -0.410 2.749 1.831 1.00 1.00 C ATOM 982 O TYR A 63 -1.487 2.175 1.674 1.00 1.00 O ATOM 983 CB TYR A 63 1.691 2.154 0.602 1.00 1.00 C ATOM 984 CG TYR A 63 2.549 2.421 -0.626 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.966 2.559 -1.893 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.940 2.537 -0.495 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.756 2.816 -3.014 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.734 2.795 -1.620 1.00 1.00 C ATOM 989 CZ TYR A 63 4.140 2.938 -2.879 1.00 1.00 C ATOM 990 OH TYR A 63 4.917 3.194 -3.991 1.00 1.00 O ATOM 0 H TYR A 63 1.903 4.612 0.779 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.111 2.942 -0.276 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.286 2.297 1.504 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.361 1.115 0.600 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.896 2.466 -2.003 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.401 2.427 0.476 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.297 2.921 -3.986 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.805 2.884 -1.516 1.00 1.00 H new ATOM 0 HH TYR A 63 4.338 3.406 -4.753 1.00 1.00 H new ATOM 1000 N LEU A 64 0.051 3.099 3.027 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.731 2.797 4.213 1.00 1.00 C ATOM 1002 C LEU A 64 -2.089 3.476 4.135 1.00 1.00 C ATOM 1003 O LEU A 64 -3.109 2.835 4.366 1.00 1.00 O ATOM 1004 CB LEU A 64 0.016 3.248 5.480 1.00 1.00 C ATOM 1005 CG LEU A 64 0.852 2.094 6.043 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.860 2.654 7.046 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.061 1.057 6.738 1.00 1.00 C ATOM 0 H LEU A 64 0.936 3.578 3.196 1.00 1.00 H new ATOM 0 HA LEU A 64 -0.880 1.718 4.263 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.662 4.095 5.248 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.698 3.588 6.230 1.00 1.00 H new ATOM 0 HG LEU A 64 1.378 1.598 5.228 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.460 1.840 7.452 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.512 3.370 6.546 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.328 3.152 7.857 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.547 0.243 7.133 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.600 1.537 7.555 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -0.775 0.659 6.017 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.115 4.762 3.816 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.373 5.482 3.735 1.00 1.00 C ATOM 1021 C ASP A 65 -4.357 4.717 2.869 1.00 1.00 C ATOM 1022 O ASP A 65 -5.529 4.561 3.226 1.00 1.00 O ATOM 1023 CB ASP A 65 -3.108 6.862 3.131 1.00 1.00 C ATOM 1024 CG ASP A 65 -4.404 7.650 3.011 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -5.447 7.080 3.278 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -4.331 8.815 2.652 1.00 1.00 O ATOM 0 H ASP A 65 -1.287 5.322 3.611 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.802 5.589 4.731 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -2.400 7.408 3.754 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.650 6.753 2.148 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.883 4.230 1.736 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.748 3.467 0.859 1.00 1.00 C ATOM 1033 C ARG A 66 -5.231 2.214 1.588 1.00 1.00 C ATOM 1034 O ARG A 66 -6.400 1.847 1.520 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.992 3.097 -0.416 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.782 4.356 -1.278 1.00 1.00 C ATOM 1037 CD ARG A 66 -5.026 4.635 -2.125 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.337 3.472 -2.946 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.384 3.469 -3.761 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -7.156 4.517 -3.834 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.640 2.415 -4.486 1.00 1.00 N ATOM 0 H ARG A 66 -2.924 4.346 1.408 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.615 4.066 0.582 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.029 2.652 -0.164 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.551 2.349 -0.978 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.571 5.212 -0.637 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.916 4.221 -1.926 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.871 4.872 -1.479 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.857 5.505 -2.760 1.00 1.00 H new ATOM 0 HE ARG A 66 -4.740 2.647 -2.893 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.955 5.339 -3.265 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.961 4.515 -4.461 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.036 1.595 -4.426 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.444 2.411 -5.113 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.317 1.545 2.270 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.671 0.333 2.999 1.00 1.00 C ATOM 1057 C ALA A 67 -5.714 0.642 4.076 1.00 1.00 C ATOM 1058 O ALA A 67 -6.589 -0.176 4.361 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.416 -0.266 3.646 1.00 1.00 C ATOM 0 H ALA A 67 -3.335 1.814 2.336 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.096 -0.386 2.299 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -3.684 -1.172 4.190 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -2.689 -0.510 2.872 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -2.982 0.457 4.337 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.615 1.825 4.672 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.543 2.224 5.718 1.00 1.00 C ATOM 1067 C GLU A 68 -7.958 2.357 5.180 1.00 1.00 C ATOM 1068 O GLU A 68 -8.882 1.744 5.706 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.104 3.565 6.300 1.00 1.00 C ATOM 1070 CG GLU A 68 -4.815 3.383 7.092 1.00 1.00 C ATOM 1071 CD GLU A 68 -4.305 4.736 7.571 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -4.999 5.718 7.358 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -3.225 4.774 8.137 1.00 1.00 O ATOM 0 H GLU A 68 -4.903 2.521 4.448 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.537 1.453 6.489 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.951 4.288 5.499 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -6.886 3.966 6.946 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.992 2.728 7.945 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.061 2.900 6.470 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.128 3.165 4.140 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.458 3.359 3.575 1.00 1.00 C ATOM 1082 C LYS A 69 -10.000 2.040 3.024 1.00 1.00 C ATOM 1083 O LYS A 69 -11.200 1.770 3.103 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.423 4.418 2.463 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.579 3.905 1.311 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.472 4.961 0.208 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.866 5.354 -0.299 1.00 1.00 C ATOM 1088 NZ LYS A 69 -10.390 6.456 0.547 1.00 1.00 N ATOM 0 H LYS A 69 -7.381 3.685 3.680 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.119 3.708 4.368 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.434 4.636 2.120 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -9.009 5.351 2.846 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.583 3.645 1.670 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -9.020 2.994 0.908 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.956 5.842 0.589 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.875 4.574 -0.617 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.813 5.670 -1.341 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -10.537 4.496 -0.260 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -11.256 6.142 1.029 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -9.676 6.719 1.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -10.605 7.280 -0.050 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.108 1.224 2.449 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.527 -0.051 1.874 1.00 1.00 C ATOM 1104 C LEU A 70 -10.130 -0.931 2.949 1.00 1.00 C ATOM 1105 O LEU A 70 -11.240 -1.452 2.801 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.319 -0.766 1.232 1.00 1.00 C ATOM 1107 CG LEU A 70 -7.979 -0.107 -0.121 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.540 -0.453 -0.525 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -8.932 -0.610 -1.222 1.00 1.00 C ATOM 0 H LEU A 70 -8.110 1.422 2.372 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.277 0.140 1.106 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.458 -0.714 1.898 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -8.546 -1.822 1.086 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.088 0.972 -0.010 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.308 0.016 -1.481 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -5.851 -0.087 0.236 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.438 -1.534 -0.617 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.677 -0.134 -2.169 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -8.835 -1.691 -1.321 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -9.959 -0.361 -0.956 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.424 -1.045 4.044 1.00 1.00 N ATOM 1122 CA LYS A 71 -9.878 -1.819 5.184 1.00 1.00 C ATOM 1123 C LYS A 71 -11.040 -1.124 5.897 1.00 1.00 C ATOM 1124 O LYS A 71 -11.800 -1.761 6.628 1.00 1.00 O ATOM 1125 CB LYS A 71 -8.736 -2.027 6.175 1.00 1.00 C ATOM 1126 CG LYS A 71 -9.163 -3.069 7.212 1.00 1.00 C ATOM 1127 CD LYS A 71 -7.981 -3.436 8.113 1.00 1.00 C ATOM 1128 CE LYS A 71 -7.374 -2.173 8.729 1.00 1.00 C ATOM 1129 NZ LYS A 71 -6.598 -2.545 9.943 1.00 1.00 N ATOM 0 H LYS A 71 -8.514 -0.604 4.177 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.220 -2.784 4.811 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -7.840 -2.361 5.652 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -8.487 -1.086 6.666 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -9.982 -2.677 7.816 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -9.537 -3.961 6.709 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -8.312 -4.111 8.902 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -7.225 -3.967 7.535 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -6.726 -1.677 8.006 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -8.162 -1.466 8.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -6.183 -1.690 10.365 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -7.229 -3.001 10.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -5.838 -3.205 9.681 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.150 0.193 5.705 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.200 0.969 6.364 1.00 1.00 C ATOM 1145 C ASP A 72 -13.590 0.627 5.842 1.00 1.00 C ATOM 1146 O ASP A 72 -14.480 0.240 6.611 1.00 1.00 O ATOM 1147 CB ASP A 72 -11.950 2.455 6.084 1.00 1.00 C ATOM 1148 CG ASP A 72 -12.840 3.320 6.967 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.690 2.767 7.644 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.660 4.529 6.952 1.00 1.00 O ATOM 0 H ASP A 72 -10.531 0.738 5.105 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.166 0.735 7.428 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -10.903 2.695 6.267 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.148 2.672 5.034 1.00 1.00 H new ATOM 1155 N TYR A 73 -13.790 0.772 4.531 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.100 0.478 3.959 1.00 1.00 C ATOM 1157 C TYR A 73 -15.280 -1.020 3.840 1.00 1.00 C ATOM 1158 O TYR A 73 -16.390 -1.512 3.917 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.310 1.154 2.607 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.480 0.499 1.538 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -14.880 -0.723 0.992 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.310 1.117 1.081 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.130 -1.331 -0.005 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.560 0.510 0.078 1.00 1.00 C ATOM 1165 CZ TYR A 73 -12.960 -0.713 -0.464 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.200 -1.312 -1.441 1.00 1.00 O ATOM 0 H TYR A 73 -13.083 1.082 3.864 1.00 1.00 H new ATOM 0 HA TYR A 73 -15.854 0.884 4.633 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.364 1.106 2.333 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.047 2.209 2.680 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -15.781 -1.199 1.349 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.992 2.058 1.504 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -14.447 -2.275 -0.424 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.662 0.989 -0.284 1.00 1.00 H new ATOM 0 HH TYR A 73 -12.500 -2.236 -1.568 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.180 -1.749 3.667 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.280 -3.201 3.585 1.00 1.00 C ATOM 1178 C LEU A 74 -14.850 -3.749 4.885 1.00 1.00 C ATOM 1179 O LEU A 74 -15.780 -4.557 4.870 1.00 1.00 O ATOM 1180 CB LEU A 74 -12.890 -3.811 3.370 1.00 1.00 C ATOM 1181 CG LEU A 74 -12.500 -3.758 1.890 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -10.980 -4.055 1.725 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.350 -4.787 1.094 1.00 1.00 C ATOM 0 H LEU A 74 -13.236 -1.371 3.583 1.00 1.00 H new ATOM 0 HA LEU A 74 -14.931 -3.459 2.750 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.154 -3.270 3.965 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -12.883 -4.844 3.716 1.00 1.00 H new ATOM 0 HG LEU A 74 -12.696 -2.760 1.498 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -10.714 -4.015 0.669 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -10.402 -3.311 2.273 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -10.759 -5.048 2.117 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.073 -4.750 0.040 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -13.166 -5.789 1.483 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -14.407 -4.545 1.200 1.00 1.00 H new ATOM 1273 N PRO B 171 6.457 3.103 -7.485 1.00 1.00 N ATOM 1274 CA PRO B 171 5.165 3.238 -8.229 1.00 1.00 C ATOM 1275 C PRO B 171 4.150 4.084 -7.463 1.00 1.00 C ATOM 1276 O PRO B 171 4.281 4.286 -6.257 1.00 1.00 O ATOM 1277 CB PRO B 171 4.666 1.792 -8.372 1.00 1.00 C ATOM 1278 CG PRO B 171 5.312 1.059 -7.247 1.00 1.00 C ATOM 1279 CD PRO B 171 6.679 1.706 -7.068 1.00 1.00 C ATOM 0 HA PRO B 171 5.298 3.743 -9.186 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.579 1.739 -8.307 1.00 1.00 H new ATOM 0 HB3 PRO B 171 4.949 1.368 -9.336 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.719 1.138 -6.336 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.408 -0.003 -7.474 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.019 1.645 -6.034 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.437 1.220 -7.682 1.00 1.00 H new ATOM 1287 N GLU B 172 3.131 4.562 -8.174 1.00 1.00 N ATOM 1288 CA GLU B 172 2.082 5.374 -7.558 1.00 1.00 C ATOM 1289 C GLU B 172 0.792 4.570 -7.452 1.00 1.00 C ATOM 1290 O GLU B 172 0.400 3.878 -8.392 1.00 1.00 O ATOM 1291 CB GLU B 172 1.840 6.637 -8.389 1.00 1.00 C ATOM 1292 CG GLU B 172 1.344 6.249 -9.784 1.00 1.00 C ATOM 1293 CD GLU B 172 1.281 7.484 -10.670 1.00 1.00 C ATOM 1294 OE1 GLU B 172 1.006 8.553 -10.150 1.00 1.00 O ATOM 1295 OE2 GLU B 172 1.510 7.344 -11.860 1.00 1.00 O ATOM 0 H GLU B 172 3.009 4.402 -9.174 1.00 1.00 H new ATOM 0 HA GLU B 172 2.404 5.663 -6.557 1.00 1.00 H new ATOM 0 HB2 GLU B 172 1.106 7.274 -7.895 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.761 7.214 -8.467 1.00 1.00 H new ATOM 0 HG2 GLU B 172 2.011 5.508 -10.224 1.00 1.00 H new ATOM 0 HG3 GLU B 172 0.358 5.789 -9.715 1.00 1.00 H new ATOM 1302 N VAL B 173 0.150 4.645 -6.292 1.00 1.00 N ATOM 1303 CA VAL B 173 -1.082 3.899 -6.067 1.00 1.00 C ATOM 1304 C VAL B 173 -2.153 4.292 -7.094 1.00 1.00 C ATOM 1305 O VAL B 173 -2.303 5.470 -7.420 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.601 4.158 -4.631 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -1.055 3.095 -3.664 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -1.138 5.537 -4.158 1.00 1.00 C ATOM 0 H VAL B 173 0.458 5.209 -5.500 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.869 2.837 -6.185 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.690 4.111 -4.643 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.429 3.291 -2.659 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.383 2.107 -3.987 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.034 3.132 -3.660 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -1.504 5.717 -3.147 1.00 1.00 H new ATOM 0 HG22 VAL B 173 -0.049 5.576 -4.161 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -1.530 6.302 -4.828 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.900 3.334 -7.598 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.979 3.617 -8.594 1.00 1.00 C ATOM 1320 C PRO B 174 -5.187 4.294 -7.955 1.00 1.00 C ATOM 1321 O PRO B 174 -5.446 4.127 -6.763 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.341 2.227 -9.137 1.00 1.00 C ATOM 1323 CG PRO B 174 -4.036 1.290 -8.018 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.836 1.891 -7.289 1.00 1.00 C ATOM 0 HA PRO B 174 -3.653 4.308 -9.371 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.392 2.175 -9.421 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.758 1.985 -10.026 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.890 1.189 -7.348 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.806 0.293 -8.394 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.894 1.712 -6.215 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.900 1.452 -7.636 1.00 1.00 H new