USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 964 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= -0.266 K(o=0.17,f=-8.4!) USER MOD Set 1.2: A 81 HIS : no HE2:sc= 1.3 K(o=0.17,f=-16!) USER MOD Set 1.3: A 100 HIS : +bothHN:sc= -0.867 K(o=0.17,f=-16!) USER MOD Set 2.1: A 95 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 99 GLN : amide:sc= -0.06 K(o=-0.06,f=-0.7) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.166 (180deg=-0.802) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.036 (180deg=-0.416) USER MOD Single : A 9 LYS NZ :NH3+ -172:sc=-0.00497 (180deg=-0.13) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.486 F(o=-1.9,f=-0.49) USER MOD Single : A 13 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.83) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= -0.61 (180deg=-2.69!) USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= 0.937 (180deg=-0.73) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 1.21 (180deg=0.877) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.104 F(o=-1.9!,f=-0.1) USER MOD Single : A 38 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.45) USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= -0.0178 (180deg=-0.168) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.9) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0194) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0131) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.1) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0987 K(o=-0.099,f=-4!) USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.17) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 1.32 (180deg=1.13) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 74:sc= 1.28 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 89 ASN :FLIP amide:sc=-0.00747 F(o=-0.83,f=-0.0075) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.19 F(o=-2!,f=-0.19) USER MOD Single : A 102 GLN : amide:sc= -0.0558 K(o=-0.056,f=-2.5!) USER MOD Single : A 105 GLN : amide:sc= 1.16 K(o=1.2,f=-0.64) USER MOD Single : A 113 LYS NZ :NH3+ -174:sc= 0.961 (180deg=0.917) USER MOD Single : A 114 LYS NZ :NH3+ -139:sc= 0.638 (180deg=-1.93!) USER MOD Single : A 115 ASN : amide:sc= -3.12! C(o=-3.1!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.064 -17.181 0.936 1.00 0.00 N ATOM 2 CA MET A 1 -9.414 -16.260 -0.029 1.00 0.00 C ATOM 3 C MET A 1 -10.393 -15.876 -1.141 1.00 0.00 C ATOM 4 O MET A 1 -9.993 -15.616 -2.274 1.00 0.00 O ATOM 5 CB MET A 1 -8.164 -16.923 -0.627 1.00 0.00 C ATOM 6 CG MET A 1 -8.445 -18.238 -1.341 1.00 0.00 C ATOM 7 SD MET A 1 -6.952 -19.034 -1.967 1.00 0.00 S ATOM 8 CE MET A 1 -6.032 -19.279 -0.448 1.00 0.00 C ATOM 0 H1 MET A 1 -9.341 -17.605 1.552 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.746 -16.652 1.516 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.561 -17.933 0.417 1.00 0.00 H new ATOM 0 HA MET A 1 -9.115 -15.354 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.699 -16.232 -1.330 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.442 -17.101 0.170 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.951 -18.917 -0.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.128 -18.056 -2.171 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.302 -20.076 -0.589 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.515 -18.357 -0.183 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.719 -19.553 0.353 1.00 0.00 H new ATOM 20 N ASP A 2 -11.675 -15.799 -0.794 1.00 0.00 N ATOM 21 CA ASP A 2 -12.733 -15.610 -1.785 1.00 0.00 C ATOM 22 C ASP A 2 -12.916 -14.132 -2.135 1.00 0.00 C ATOM 23 O ASP A 2 -12.456 -13.671 -3.176 1.00 0.00 O ATOM 24 CB ASP A 2 -14.057 -16.191 -1.270 1.00 0.00 C ATOM 25 CG ASP A 2 -13.918 -17.620 -0.779 1.00 0.00 C ATOM 26 OD1 ASP A 2 -13.612 -17.812 0.419 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.098 -18.556 -1.581 1.00 0.00 O ATOM 0 H ASP A 2 -12.008 -15.865 0.168 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.435 -16.139 -2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.431 -15.567 -0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.799 -16.156 -2.068 1.00 0.00 H new ATOM 32 N GLU A 3 -13.558 -13.385 -1.242 1.00 0.00 N ATOM 33 CA GLU A 3 -13.905 -11.985 -1.506 1.00 0.00 C ATOM 34 C GLU A 3 -12.715 -11.041 -1.311 1.00 0.00 C ATOM 35 O GLU A 3 -12.879 -9.823 -1.277 1.00 0.00 O ATOM 36 CB GLU A 3 -15.047 -11.544 -0.589 1.00 0.00 C ATOM 37 CG GLU A 3 -16.340 -12.318 -0.787 1.00 0.00 C ATOM 38 CD GLU A 3 -17.464 -11.788 0.082 1.00 0.00 C ATOM 39 OE1 GLU A 3 -17.961 -10.679 -0.203 1.00 0.00 O ATOM 40 OE2 GLU A 3 -17.839 -12.463 1.061 1.00 0.00 O ATOM 0 H GLU A 3 -13.851 -13.723 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.212 -11.927 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.728 -11.651 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.242 -10.484 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.637 -12.264 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.171 -13.370 -0.557 1.00 0.00 H new ATOM 47 N LEU A 4 -11.518 -11.597 -1.215 1.00 0.00 N ATOM 48 CA LEU A 4 -10.329 -10.801 -0.924 1.00 0.00 C ATOM 49 C LEU A 4 -9.708 -10.246 -2.204 1.00 0.00 C ATOM 50 O LEU A 4 -8.623 -9.670 -2.175 1.00 0.00 O ATOM 51 CB LEU A 4 -9.294 -11.635 -0.158 1.00 0.00 C ATOM 52 CG LEU A 4 -9.634 -11.937 1.309 1.00 0.00 C ATOM 53 CD1 LEU A 4 -10.803 -12.902 1.423 1.00 0.00 C ATOM 54 CD2 LEU A 4 -8.421 -12.501 2.024 1.00 0.00 C ATOM 0 H LEU A 4 -11.341 -12.594 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.638 -9.962 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.157 -12.581 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.338 -11.112 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.926 -10.999 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.016 -13.093 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.682 -12.466 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.550 -13.840 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.676 -12.711 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.106 -13.423 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.608 -11.776 1.989 1.00 0.00 H new ATOM 66 N ARG A 5 -10.408 -10.408 -3.322 1.00 0.00 N ATOM 67 CA ARG A 5 -9.903 -9.957 -4.616 1.00 0.00 C ATOM 68 C ARG A 5 -9.838 -8.436 -4.685 1.00 0.00 C ATOM 69 O ARG A 5 -8.866 -7.871 -5.193 1.00 0.00 O ATOM 70 CB ARG A 5 -10.774 -10.498 -5.752 1.00 0.00 C ATOM 71 CG ARG A 5 -10.719 -12.011 -5.885 1.00 0.00 C ATOM 72 CD ARG A 5 -9.288 -12.492 -6.039 1.00 0.00 C ATOM 73 NE ARG A 5 -9.215 -13.938 -6.212 1.00 0.00 N ATOM 74 CZ ARG A 5 -8.460 -14.741 -5.468 1.00 0.00 C ATOM 75 NH1 ARG A 5 -7.754 -14.249 -4.460 1.00 0.00 N ATOM 76 NH2 ARG A 5 -8.430 -16.042 -5.713 1.00 0.00 N ATOM 0 H ARG A 5 -11.327 -10.848 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.891 -10.346 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.807 -10.192 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.455 -10.046 -6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.169 -12.473 -5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.307 -12.325 -6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.830 -12.000 -6.897 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.711 -12.202 -5.161 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.778 -14.360 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.789 -13.251 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.176 -14.868 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.987 -16.431 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.850 -16.655 -5.141 1.00 0.00 H new ATOM 90 N GLU A 6 -10.866 -7.780 -4.159 1.00 0.00 N ATOM 91 CA GLU A 6 -10.930 -6.323 -4.164 1.00 0.00 C ATOM 92 C GLU A 6 -9.771 -5.738 -3.363 1.00 0.00 C ATOM 93 O GLU A 6 -9.210 -4.701 -3.716 1.00 0.00 O ATOM 94 CB GLU A 6 -12.260 -5.848 -3.571 1.00 0.00 C ATOM 95 CG GLU A 6 -13.481 -6.530 -4.173 1.00 0.00 C ATOM 96 CD GLU A 6 -13.553 -6.387 -5.679 1.00 0.00 C ATOM 97 OE1 GLU A 6 -14.102 -5.374 -6.157 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.079 -7.295 -6.389 1.00 0.00 O ATOM 0 H GLU A 6 -11.668 -8.235 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.857 -5.979 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.251 -6.024 -2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.348 -4.771 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.464 -7.589 -3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.383 -6.108 -3.729 1.00 0.00 H new ATOM 105 N LEU A 7 -9.417 -6.432 -2.288 1.00 0.00 N ATOM 106 CA LEU A 7 -8.330 -6.014 -1.415 1.00 0.00 C ATOM 107 C LEU A 7 -6.988 -6.185 -2.120 1.00 0.00 C ATOM 108 O LEU A 7 -6.121 -5.313 -2.050 1.00 0.00 O ATOM 109 CB LEU A 7 -8.342 -6.827 -0.109 1.00 0.00 C ATOM 110 CG LEU A 7 -9.525 -6.575 0.840 1.00 0.00 C ATOM 111 CD1 LEU A 7 -10.834 -7.092 0.257 1.00 0.00 C ATOM 112 CD2 LEU A 7 -9.261 -7.228 2.188 1.00 0.00 C ATOM 0 H LEU A 7 -9.874 -7.297 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.472 -4.961 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.329 -7.886 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.419 -6.619 0.432 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.622 -5.497 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.647 -6.896 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.037 -6.586 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.756 -8.165 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.105 -7.044 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.133 -8.302 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.356 -6.807 2.625 1.00 0.00 H new ATOM 124 N LEU A 8 -6.841 -7.305 -2.820 1.00 0.00 N ATOM 125 CA LEU A 8 -5.621 -7.602 -3.558 1.00 0.00 C ATOM 126 C LEU A 8 -5.365 -6.567 -4.641 1.00 0.00 C ATOM 127 O LEU A 8 -4.246 -6.079 -4.791 1.00 0.00 O ATOM 128 CB LEU A 8 -5.713 -8.987 -4.197 1.00 0.00 C ATOM 129 CG LEU A 8 -5.608 -10.161 -3.231 1.00 0.00 C ATOM 130 CD1 LEU A 8 -5.939 -11.459 -3.947 1.00 0.00 C ATOM 131 CD2 LEU A 8 -4.210 -10.224 -2.631 1.00 0.00 C ATOM 0 H LEU A 8 -7.559 -8.026 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.793 -7.578 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.661 -9.060 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.922 -9.079 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.325 -10.018 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.861 -12.291 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.955 -11.409 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.239 -11.610 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.147 -11.067 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.477 -10.351 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.003 -9.299 -2.092 1.00 0.00 H new ATOM 143 N LYS A 9 -6.409 -6.230 -5.389 1.00 0.00 N ATOM 144 CA LYS A 9 -6.279 -5.305 -6.506 1.00 0.00 C ATOM 145 C LYS A 9 -5.816 -3.932 -6.019 1.00 0.00 C ATOM 146 O LYS A 9 -5.056 -3.250 -6.702 1.00 0.00 O ATOM 147 CB LYS A 9 -7.606 -5.184 -7.259 1.00 0.00 C ATOM 148 CG LYS A 9 -7.474 -4.517 -8.620 1.00 0.00 C ATOM 149 CD LYS A 9 -8.815 -4.423 -9.328 1.00 0.00 C ATOM 150 CE LYS A 9 -8.663 -3.881 -10.744 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.024 -2.540 -10.762 1.00 0.00 N ATOM 0 H LYS A 9 -7.354 -6.584 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.527 -5.699 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.032 -6.179 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.309 -4.614 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.056 -3.518 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.775 -5.082 -9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.279 -5.409 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.483 -3.776 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.066 -4.575 -11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.643 -3.822 -11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.062 -2.150 -11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.530 -1.906 -10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.032 -2.624 -10.462 1.00 0.00 H new ATOM 165 N ALA A 10 -6.262 -3.544 -4.828 1.00 0.00 N ATOM 166 CA ALA A 10 -5.860 -2.272 -4.239 1.00 0.00 C ATOM 167 C ALA A 10 -4.364 -2.268 -3.929 1.00 0.00 C ATOM 168 O ALA A 10 -3.653 -1.322 -4.271 1.00 0.00 O ATOM 169 CB ALA A 10 -6.666 -1.993 -2.978 1.00 0.00 C ATOM 0 H ALA A 10 -6.901 -4.092 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.061 -1.481 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.354 -1.040 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.726 -1.950 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.495 -2.789 -2.253 1.00 0.00 H new ATOM 175 N GLU A 11 -3.895 -3.344 -3.306 1.00 0.00 N ATOM 176 CA GLU A 11 -2.479 -3.493 -2.981 1.00 0.00 C ATOM 177 C GLU A 11 -1.638 -3.560 -4.254 1.00 0.00 C ATOM 178 O GLU A 11 -0.586 -2.930 -4.351 1.00 0.00 O ATOM 179 CB GLU A 11 -2.259 -4.752 -2.138 1.00 0.00 C ATOM 180 CG GLU A 11 -2.892 -4.682 -0.755 1.00 0.00 C ATOM 181 CD GLU A 11 -2.155 -3.744 0.183 1.00 0.00 C ATOM 182 OE1 GLU A 11 -2.080 -2.542 -0.074 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.606 -4.200 1.200 1.00 0.00 O ATOM 0 H GLU A 11 -4.477 -4.129 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.165 -2.622 -2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.666 -5.611 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.188 -4.923 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.927 -4.354 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.913 -5.681 -0.319 1.00 0.00 H new ATOM 190 N GLN A 12 -2.116 -4.318 -5.233 1.00 0.00 N ATOM 191 CA GLN A 12 -1.426 -4.456 -6.506 1.00 0.00 C ATOM 192 C GLN A 12 -1.368 -3.119 -7.244 1.00 0.00 C ATOM 193 O GLN A 12 -0.373 -2.807 -7.898 1.00 0.00 O ATOM 194 CB GLN A 12 -2.125 -5.508 -7.368 1.00 0.00 C ATOM 195 CG GLN A 12 -2.003 -6.928 -6.830 1.00 0.00 C ATOM 196 CD GLN A 12 -0.579 -7.448 -6.848 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.144 -7.231 -5.763 1.00 0.00 O flip ATOM 198 NE2 GLN A 12 -0.138 -8.049 -7.827 1.00 0.00 N flip ATOM 0 H GLN A 12 -2.984 -4.849 -5.167 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.403 -4.778 -6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.181 -5.251 -7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.708 -5.474 -8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.382 -6.957 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.633 -7.591 -7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.730 -8.195 -8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.819 -8.401 -7.821 1.00 0.00 H new ATOM 207 N GLN A 13 -2.431 -2.329 -7.124 1.00 0.00 N ATOM 208 CA GLN A 13 -2.492 -1.020 -7.763 1.00 0.00 C ATOM 209 C GLN A 13 -1.472 -0.079 -7.139 1.00 0.00 C ATOM 210 O GLN A 13 -0.760 0.636 -7.845 1.00 0.00 O ATOM 211 CB GLN A 13 -3.898 -0.429 -7.640 1.00 0.00 C ATOM 212 CG GLN A 13 -4.100 0.857 -8.428 1.00 0.00 C ATOM 213 CD GLN A 13 -3.850 0.678 -9.915 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.038 -0.407 -10.466 1.00 0.00 O ATOM 215 NE2 GLN A 13 -3.447 1.747 -10.583 1.00 0.00 N ATOM 0 H GLN A 13 -3.264 -2.574 -6.588 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.257 -1.142 -8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.623 -1.169 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.109 -0.235 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.118 1.216 -8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.430 1.625 -8.041 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.302 2.630 -10.093 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.282 1.688 -11.588 1.00 0.00 H new ATOM 224 N GLY A 14 -1.403 -0.093 -5.815 1.00 0.00 N ATOM 225 CA GLY A 14 -0.417 0.706 -5.114 1.00 0.00 C ATOM 226 C GLY A 14 0.996 0.340 -5.533 1.00 0.00 C ATOM 227 O GLY A 14 1.808 1.214 -5.839 1.00 0.00 O ATOM 0 H GLY A 14 -2.014 -0.645 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.595 1.763 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.528 0.562 -4.039 1.00 0.00 H new ATOM 231 N ILE A 15 1.267 -0.963 -5.577 1.00 0.00 N ATOM 232 CA ILE A 15 2.554 -1.484 -6.031 1.00 0.00 C ATOM 233 C ILE A 15 2.851 -1.028 -7.460 1.00 0.00 C ATOM 234 O ILE A 15 3.970 -0.621 -7.773 1.00 0.00 O ATOM 235 CB ILE A 15 2.579 -3.032 -5.961 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.547 -3.496 -4.500 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.798 -3.593 -6.681 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.521 -5.001 -4.344 1.00 0.00 C ATOM 0 H ILE A 15 0.602 -1.685 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 15 3.323 -1.089 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 15 1.692 -3.413 -6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.421 -3.100 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.669 -3.073 -4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.790 -4.681 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.773 -3.292 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.705 -3.208 -6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.499 -5.257 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.633 -5.402 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.412 -5.430 -4.802 1.00 0.00 H new ATOM 250 N LYS A 16 1.833 -1.081 -8.310 1.00 0.00 N ATOM 251 CA LYS A 16 1.969 -0.692 -9.709 1.00 0.00 C ATOM 252 C LYS A 16 2.381 0.775 -9.827 1.00 0.00 C ATOM 253 O LYS A 16 3.226 1.129 -10.649 1.00 0.00 O ATOM 254 CB LYS A 16 0.646 -0.942 -10.439 1.00 0.00 C ATOM 255 CG LYS A 16 0.725 -0.790 -11.948 1.00 0.00 C ATOM 256 CD LYS A 16 -0.568 -1.239 -12.607 1.00 0.00 C ATOM 257 CE LYS A 16 -0.456 -1.223 -14.120 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.680 -1.763 -14.773 1.00 0.00 N ATOM 0 H LYS A 16 0.896 -1.392 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 16 2.751 -1.295 -10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.300 -1.949 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.104 -0.250 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.925 0.251 -12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.558 -1.378 -12.334 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.819 -2.245 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.383 -0.586 -12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.283 -0.202 -14.460 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.409 -1.812 -14.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.563 -1.735 -15.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.831 -2.746 -14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.502 -1.186 -14.501 1.00 0.00 H new ATOM 272 N ILE A 17 1.791 1.621 -8.994 1.00 0.00 N ATOM 273 CA ILE A 17 2.151 3.034 -8.965 1.00 0.00 C ATOM 274 C ILE A 17 3.569 3.214 -8.419 1.00 0.00 C ATOM 275 O ILE A 17 4.362 3.982 -8.968 1.00 0.00 O ATOM 276 CB ILE A 17 1.158 3.854 -8.109 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.266 3.699 -8.653 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.560 5.326 -8.079 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.316 4.410 -7.823 1.00 0.00 C ATOM 0 H ILE A 17 1.063 1.356 -8.331 1.00 0.00 H new ATOM 0 HA ILE A 17 2.108 3.403 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 17 1.185 3.472 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.300 4.083 -9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.513 2.638 -8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.848 5.885 -7.472 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.557 5.422 -7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.562 5.723 -9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.298 4.256 -8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.311 4.010 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.095 5.477 -7.793 1.00 0.00 H new ATOM 291 N LEU A 18 3.884 2.479 -7.353 1.00 0.00 N ATOM 292 CA LEU A 18 5.194 2.565 -6.699 1.00 0.00 C ATOM 293 C LEU A 18 6.328 2.265 -7.678 1.00 0.00 C ATOM 294 O LEU A 18 7.388 2.887 -7.617 1.00 0.00 O ATOM 295 CB LEU A 18 5.267 1.591 -5.513 1.00 0.00 C ATOM 296 CG LEU A 18 4.284 1.861 -4.367 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.353 0.747 -3.334 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.560 3.211 -3.718 1.00 0.00 C ATOM 0 H LEU A 18 3.246 1.812 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 18 5.313 3.586 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.094 0.581 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.280 1.613 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 18 3.277 1.887 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.649 0.954 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.096 -0.202 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.363 0.689 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.849 3.378 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.574 3.222 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.455 4.001 -4.462 1.00 0.00 H new ATOM 310 N LYS A 19 6.094 1.313 -8.581 1.00 0.00 N ATOM 311 CA LYS A 19 7.090 0.926 -9.579 1.00 0.00 C ATOM 312 C LYS A 19 7.516 2.120 -10.427 1.00 0.00 C ATOM 313 O LYS A 19 8.704 2.334 -10.669 1.00 0.00 O ATOM 314 CB LYS A 19 6.532 -0.172 -10.488 1.00 0.00 C ATOM 315 CG LYS A 19 6.261 -1.479 -9.762 1.00 0.00 C ATOM 316 CD LYS A 19 5.529 -2.497 -10.633 1.00 0.00 C ATOM 317 CE LYS A 19 6.409 -3.073 -11.736 1.00 0.00 C ATOM 318 NZ LYS A 19 6.567 -2.147 -12.891 1.00 0.00 N ATOM 0 H LYS A 19 5.218 0.793 -8.641 1.00 0.00 H new ATOM 0 HA LYS A 19 7.963 0.550 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.607 0.180 -10.944 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.237 -0.355 -11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.206 -1.906 -9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.668 -1.278 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.163 -3.309 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.656 -2.023 -11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.392 -3.306 -11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.979 -4.012 -12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.415 -2.669 -13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.870 -1.378 -12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.527 -1.746 -12.886 1.00 0.00 H new ATOM 332 N GLU A 20 6.541 2.899 -10.866 1.00 0.00 N ATOM 333 CA GLU A 20 6.813 4.064 -11.695 1.00 0.00 C ATOM 334 C GLU A 20 7.417 5.197 -10.879 1.00 0.00 C ATOM 335 O GLU A 20 8.207 5.989 -11.394 1.00 0.00 O ATOM 336 CB GLU A 20 5.554 4.523 -12.429 1.00 0.00 C ATOM 337 CG GLU A 20 5.154 3.576 -13.547 1.00 0.00 C ATOM 338 CD GLU A 20 6.321 3.266 -14.468 1.00 0.00 C ATOM 339 OE1 GLU A 20 6.670 4.128 -15.301 1.00 0.00 O ATOM 340 OE2 GLU A 20 6.915 2.172 -14.343 1.00 0.00 O ATOM 0 H GLU A 20 5.553 2.746 -10.663 1.00 0.00 H new ATOM 0 HA GLU A 20 7.548 3.771 -12.444 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.733 4.607 -11.717 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.721 5.518 -12.842 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.772 2.649 -13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.342 4.018 -14.125 1.00 0.00 H new ATOM 347 N VAL A 21 7.031 5.292 -9.616 1.00 0.00 N ATOM 348 CA VAL A 21 7.634 6.262 -8.712 1.00 0.00 C ATOM 349 C VAL A 21 9.133 5.997 -8.569 1.00 0.00 C ATOM 350 O VAL A 21 9.926 6.930 -8.496 1.00 0.00 O ATOM 351 CB VAL A 21 6.966 6.238 -7.323 1.00 0.00 C ATOM 352 CG1 VAL A 21 7.587 7.272 -6.404 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.472 6.475 -7.442 1.00 0.00 C ATOM 0 H VAL A 21 6.306 4.712 -9.194 1.00 0.00 H new ATOM 0 HA VAL A 21 7.480 7.251 -9.145 1.00 0.00 H new ATOM 0 HB VAL A 21 7.130 5.251 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.098 7.234 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.650 7.061 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.461 8.265 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.020 6.454 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.293 7.447 -7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.028 5.694 -8.060 1.00 0.00 H new ATOM 363 N LEU A 22 9.515 4.720 -8.542 1.00 0.00 N ATOM 364 CA LEU A 22 10.928 4.340 -8.504 1.00 0.00 C ATOM 365 C LEU A 22 11.680 4.938 -9.690 1.00 0.00 C ATOM 366 O LEU A 22 12.810 5.404 -9.548 1.00 0.00 O ATOM 367 CB LEU A 22 11.082 2.819 -8.516 1.00 0.00 C ATOM 368 CG LEU A 22 10.604 2.103 -7.253 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.678 0.596 -7.437 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.433 2.531 -6.050 1.00 0.00 C ATOM 0 H LEU A 22 8.867 3.932 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 22 11.352 4.732 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.532 2.422 -9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.133 2.578 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 22 9.565 2.380 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.334 0.101 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.045 0.300 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.708 0.305 -7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.078 2.011 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.480 2.282 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.335 3.607 -5.905 1.00 0.00 H new ATOM 382 N LYS A 23 11.036 4.924 -10.856 1.00 0.00 N ATOM 383 CA LYS A 23 11.594 5.538 -12.061 1.00 0.00 C ATOM 384 C LYS A 23 11.887 7.013 -11.811 1.00 0.00 C ATOM 385 O LYS A 23 12.967 7.516 -12.123 1.00 0.00 O ATOM 386 CB LYS A 23 10.602 5.437 -13.225 1.00 0.00 C ATOM 387 CG LYS A 23 10.123 4.030 -13.533 1.00 0.00 C ATOM 388 CD LYS A 23 11.155 3.236 -14.311 1.00 0.00 C ATOM 389 CE LYS A 23 10.550 1.961 -14.878 1.00 0.00 C ATOM 390 NZ LYS A 23 9.354 2.242 -15.723 1.00 0.00 N ATOM 0 H LYS A 23 10.122 4.492 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 23 12.513 5.008 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.736 6.060 -13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.069 5.851 -14.119 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.895 3.513 -12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.197 4.080 -14.105 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.552 3.846 -15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.993 2.987 -13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.299 1.436 -15.471 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.269 1.297 -14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.301 1.545 -16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.495 2.180 -15.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.430 3.198 -16.126 1.00 0.00 H new ATOM 404 N LYS A 24 10.910 7.684 -11.221 1.00 0.00 N ATOM 405 CA LYS A 24 10.959 9.123 -11.021 1.00 0.00 C ATOM 406 C LYS A 24 11.816 9.500 -9.821 1.00 0.00 C ATOM 407 O LYS A 24 12.282 10.635 -9.718 1.00 0.00 O ATOM 408 CB LYS A 24 9.535 9.658 -10.871 1.00 0.00 C ATOM 409 CG LYS A 24 8.728 9.541 -12.156 1.00 0.00 C ATOM 410 CD LYS A 24 9.418 10.263 -13.299 1.00 0.00 C ATOM 411 CE LYS A 24 8.785 9.941 -14.639 1.00 0.00 C ATOM 412 NZ LYS A 24 9.551 10.549 -15.758 1.00 0.00 N ATOM 0 H LYS A 24 10.060 7.245 -10.867 1.00 0.00 H new ATOM 0 HA LYS A 24 11.427 9.580 -11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.027 9.111 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.574 10.703 -10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.596 8.490 -12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.733 9.960 -12.004 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.375 11.338 -13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.472 9.985 -13.320 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.739 8.860 -14.772 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.759 10.308 -14.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.016 10.443 -16.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.704 11.559 -15.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.470 10.071 -15.850 1.00 0.00 H new ATOM 426 N ALA A 25 12.020 8.550 -8.924 1.00 0.00 N ATOM 427 CA ALA A 25 12.910 8.749 -7.790 1.00 0.00 C ATOM 428 C ALA A 25 14.357 8.784 -8.266 1.00 0.00 C ATOM 429 O ALA A 25 15.197 9.476 -7.695 1.00 0.00 O ATOM 430 CB ALA A 25 12.706 7.648 -6.758 1.00 0.00 C ATOM 0 H ALA A 25 11.580 7.630 -8.958 1.00 0.00 H new ATOM 0 HA ALA A 25 12.677 9.703 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.378 7.810 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.674 7.665 -6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.919 6.680 -7.212 1.00 0.00 H new ATOM 436 N LYS A 26 14.635 8.030 -9.328 1.00 0.00 N ATOM 437 CA LYS A 26 15.949 8.046 -9.961 1.00 0.00 C ATOM 438 C LYS A 26 16.194 9.392 -10.633 1.00 0.00 C ATOM 439 O LYS A 26 17.288 9.956 -10.543 1.00 0.00 O ATOM 440 CB LYS A 26 16.058 6.931 -11.003 1.00 0.00 C ATOM 441 CG LYS A 26 16.014 5.527 -10.426 1.00 0.00 C ATOM 442 CD LYS A 26 17.250 5.226 -9.597 1.00 0.00 C ATOM 443 CE LYS A 26 17.296 3.766 -9.188 1.00 0.00 C ATOM 444 NZ LYS A 26 18.527 3.443 -8.425 1.00 0.00 N ATOM 0 H LYS A 26 13.965 7.399 -9.768 1.00 0.00 H new ATOM 0 HA LYS A 26 16.701 7.885 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.246 7.041 -11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.990 7.055 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.124 5.415 -9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.933 4.802 -11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.144 5.474 -10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.256 5.856 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.421 3.531 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.245 3.138 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.520 2.436 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.362 3.643 -9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.563 4.023 -7.563 1.00 0.00 H new ATOM 458 N GLU A 27 15.163 9.896 -11.304 1.00 0.00 N ATOM 459 CA GLU A 27 15.232 11.189 -11.970 1.00 0.00 C ATOM 460 C GLU A 27 15.370 12.312 -10.948 1.00 0.00 C ATOM 461 O GLU A 27 16.234 13.178 -11.076 1.00 0.00 O ATOM 462 CB GLU A 27 13.993 11.405 -12.842 1.00 0.00 C ATOM 463 CG GLU A 27 13.980 10.538 -14.093 1.00 0.00 C ATOM 464 CD GLU A 27 12.703 10.672 -14.897 1.00 0.00 C ATOM 465 OE1 GLU A 27 12.375 11.796 -15.327 1.00 0.00 O ATOM 466 OE2 GLU A 27 12.022 9.649 -15.119 1.00 0.00 O ATOM 0 H GLU A 27 14.264 9.423 -11.400 1.00 0.00 H new ATOM 0 HA GLU A 27 16.113 11.201 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.101 11.194 -12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.941 12.454 -13.134 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.828 10.807 -14.723 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.114 9.495 -13.806 1.00 0.00 H new ATOM 473 N GLY A 28 14.521 12.286 -9.933 1.00 0.00 N ATOM 474 CA GLY A 28 14.613 13.263 -8.868 1.00 0.00 C ATOM 475 C GLY A 28 13.916 14.566 -9.202 1.00 0.00 C ATOM 476 O GLY A 28 14.530 15.631 -9.166 1.00 0.00 O ATOM 0 H GLY A 28 13.769 11.605 -9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.177 12.846 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.663 13.463 -8.655 1.00 0.00 H new ATOM 480 N ASP A 29 12.640 14.488 -9.550 1.00 0.00 N ATOM 481 CA ASP A 29 11.841 15.690 -9.763 1.00 0.00 C ATOM 482 C ASP A 29 10.726 15.758 -8.730 1.00 0.00 C ATOM 483 O ASP A 29 9.821 14.925 -8.732 1.00 0.00 O ATOM 484 CB ASP A 29 11.251 15.733 -11.175 1.00 0.00 C ATOM 485 CG ASP A 29 10.488 17.021 -11.425 1.00 0.00 C ATOM 486 OD1 ASP A 29 11.136 18.056 -11.698 1.00 0.00 O ATOM 487 OD2 ASP A 29 9.247 17.013 -11.331 1.00 0.00 O ATOM 0 H ASP A 29 12.137 13.612 -9.691 1.00 0.00 H new ATOM 0 HA ASP A 29 12.497 16.553 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.052 15.637 -11.907 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.585 14.882 -11.317 1.00 0.00 H new ATOM 492 N GLU A 30 10.794 16.758 -7.860 1.00 0.00 N ATOM 493 CA GLU A 30 9.876 16.865 -6.732 1.00 0.00 C ATOM 494 C GLU A 30 8.445 17.125 -7.202 1.00 0.00 C ATOM 495 O GLU A 30 7.487 16.713 -6.548 1.00 0.00 O ATOM 496 CB GLU A 30 10.326 17.983 -5.786 1.00 0.00 C ATOM 497 CG GLU A 30 9.566 18.003 -4.472 1.00 0.00 C ATOM 498 CD GLU A 30 9.788 19.278 -3.688 1.00 0.00 C ATOM 499 OE1 GLU A 30 10.814 19.382 -2.986 1.00 0.00 O ATOM 500 OE2 GLU A 30 8.925 20.180 -3.770 1.00 0.00 O ATOM 0 H GLU A 30 11.480 17.511 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 30 9.891 15.914 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.390 17.868 -5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.200 18.944 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.501 17.885 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.874 17.151 -3.866 1.00 0.00 H new ATOM 507 N GLN A 31 8.300 17.809 -8.333 1.00 0.00 N ATOM 508 CA GLN A 31 6.976 18.075 -8.891 1.00 0.00 C ATOM 509 C GLN A 31 6.312 16.768 -9.312 1.00 0.00 C ATOM 510 O GLN A 31 5.161 16.495 -8.961 1.00 0.00 O ATOM 511 CB GLN A 31 7.069 19.009 -10.098 1.00 0.00 C ATOM 512 CG GLN A 31 5.718 19.318 -10.718 1.00 0.00 C ATOM 513 CD GLN A 31 5.823 19.839 -12.138 1.00 0.00 C ATOM 514 OE1 GLN A 31 6.828 19.380 -12.872 1.00 0.00 O flip ATOM 515 NE2 GLN A 31 4.991 20.631 -12.582 1.00 0.00 N flip ATOM 0 H GLN A 31 9.075 18.187 -8.878 1.00 0.00 H new ATOM 0 HA GLN A 31 6.376 18.558 -8.120 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.544 19.941 -9.792 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.713 18.556 -10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.107 18.415 -10.712 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.203 20.056 -10.103 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.232 20.961 -11.986 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.061 20.957 -13.546 1.00 0.00 H new ATOM 524 N GLU A 32 7.058 15.959 -10.052 1.00 0.00 N ATOM 525 CA GLU A 32 6.581 14.659 -10.494 1.00 0.00 C ATOM 526 C GLU A 32 6.317 13.764 -9.289 1.00 0.00 C ATOM 527 O GLU A 32 5.277 13.109 -9.198 1.00 0.00 O ATOM 528 CB GLU A 32 7.620 14.011 -11.412 1.00 0.00 C ATOM 529 CG GLU A 32 7.119 12.770 -12.124 1.00 0.00 C ATOM 530 CD GLU A 32 6.025 13.074 -13.126 1.00 0.00 C ATOM 531 OE1 GLU A 32 4.847 13.126 -12.728 1.00 0.00 O ATOM 532 OE2 GLU A 32 6.342 13.270 -14.319 1.00 0.00 O ATOM 0 H GLU A 32 8.004 16.184 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 32 5.650 14.789 -11.046 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.939 14.741 -12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.499 13.750 -10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.952 12.289 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.744 12.059 -11.387 1.00 0.00 H new ATOM 539 N LEU A 33 7.265 13.764 -8.356 1.00 0.00 N ATOM 540 CA LEU A 33 7.162 12.969 -7.141 1.00 0.00 C ATOM 541 C LEU A 33 5.927 13.354 -6.332 1.00 0.00 C ATOM 542 O LEU A 33 5.264 12.494 -5.759 1.00 0.00 O ATOM 543 CB LEU A 33 8.424 13.135 -6.289 1.00 0.00 C ATOM 544 CG LEU A 33 9.703 12.560 -6.904 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.885 12.764 -5.970 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.520 11.086 -7.229 1.00 0.00 C ATOM 0 H LEU A 33 8.122 14.313 -8.422 1.00 0.00 H new ATOM 0 HA LEU A 33 7.064 11.923 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.577 14.197 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.257 12.658 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 33 9.909 13.092 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.784 12.349 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.028 13.830 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.692 12.260 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.438 10.693 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.289 10.538 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.702 10.969 -7.939 1.00 0.00 H new ATOM 558 N ALA A 34 5.617 14.646 -6.298 1.00 0.00 N ATOM 559 CA ALA A 34 4.453 15.131 -5.564 1.00 0.00 C ATOM 560 C ALA A 34 3.161 14.608 -6.182 1.00 0.00 C ATOM 561 O ALA A 34 2.274 14.138 -5.470 1.00 0.00 O ATOM 562 CB ALA A 34 4.440 16.652 -5.523 1.00 0.00 C ATOM 0 H ALA A 34 6.154 15.374 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 34 4.520 14.755 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.564 16.994 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.343 17.010 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.404 17.043 -6.540 1.00 0.00 H new ATOM 568 N ARG A 35 3.066 14.686 -7.506 1.00 0.00 N ATOM 569 CA ARG A 35 1.915 14.185 -8.237 1.00 0.00 C ATOM 570 C ARG A 35 1.757 12.683 -8.031 1.00 0.00 C ATOM 571 O ARG A 35 0.657 12.198 -7.768 1.00 0.00 O ATOM 572 CB ARG A 35 2.101 14.484 -9.721 1.00 0.00 C ATOM 573 CG ARG A 35 0.850 14.273 -10.538 1.00 0.00 C ATOM 574 CD ARG A 35 1.136 14.341 -12.029 1.00 0.00 C ATOM 575 NE ARG A 35 2.145 13.360 -12.430 1.00 0.00 N ATOM 576 CZ ARG A 35 1.870 12.120 -12.837 1.00 0.00 C ATOM 577 NH1 ARG A 35 0.613 11.705 -12.941 1.00 0.00 N ATOM 578 NH2 ARG A 35 2.862 11.303 -13.154 1.00 0.00 N ATOM 0 H ARG A 35 3.786 15.099 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 35 1.016 14.678 -7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.432 15.516 -9.837 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.894 13.849 -10.115 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.415 13.304 -10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.111 15.029 -10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.215 14.165 -12.585 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.478 15.343 -12.289 1.00 0.00 H new ATOM 0 HE ARG A 35 3.124 13.643 -12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.153 12.337 -12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.414 10.755 -13.253 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.828 11.623 -13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.660 10.353 -13.466 1.00 0.00 H new ATOM 592 N LEU A 36 2.862 11.958 -8.155 1.00 0.00 N ATOM 593 CA LEU A 36 2.862 10.518 -7.932 1.00 0.00 C ATOM 594 C LEU A 36 2.418 10.202 -6.512 1.00 0.00 C ATOM 595 O LEU A 36 1.597 9.315 -6.291 1.00 0.00 O ATOM 596 CB LEU A 36 4.252 9.940 -8.177 1.00 0.00 C ATOM 597 CG LEU A 36 4.746 10.020 -9.621 1.00 0.00 C ATOM 598 CD1 LEU A 36 6.175 9.524 -9.713 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.844 9.211 -10.540 1.00 0.00 C ATOM 0 H LEU A 36 3.771 12.345 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 36 2.162 10.064 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.963 10.463 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.253 8.895 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 36 4.716 11.062 -9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.516 9.586 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.815 10.141 -9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.223 8.488 -9.376 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.212 9.280 -11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.844 8.168 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.829 9.604 -10.492 1.00 0.00 H new ATOM 611 N ASN A 37 2.967 10.948 -5.561 1.00 0.00 N ATOM 612 CA ASN A 37 2.603 10.812 -4.155 1.00 0.00 C ATOM 613 C ASN A 37 1.102 11.002 -3.987 1.00 0.00 C ATOM 614 O ASN A 37 0.439 10.236 -3.293 1.00 0.00 O ATOM 615 CB ASN A 37 3.344 11.855 -3.319 1.00 0.00 C ATOM 616 CG ASN A 37 3.266 11.581 -1.831 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.291 10.431 -1.402 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.149 12.635 -1.036 1.00 0.00 N ATOM 0 H ASN A 37 3.674 11.661 -5.741 1.00 0.00 H new ATOM 0 HA ASN A 37 2.882 9.814 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.390 11.882 -3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.927 12.841 -3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.076 12.507 -0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.132 13.574 -1.433 1.00 0.00 H new ATOM 625 N GLN A 38 0.577 12.019 -4.665 1.00 0.00 N ATOM 626 CA GLN A 38 -0.844 12.329 -4.649 1.00 0.00 C ATOM 627 C GLN A 38 -1.671 11.137 -5.126 1.00 0.00 C ATOM 628 O GLN A 38 -2.713 10.819 -4.548 1.00 0.00 O ATOM 629 CB GLN A 38 -1.115 13.545 -5.540 1.00 0.00 C ATOM 630 CG GLN A 38 -0.640 14.862 -4.948 1.00 0.00 C ATOM 631 CD GLN A 38 -1.207 15.117 -3.565 1.00 0.00 C ATOM 632 OE1 GLN A 38 -0.598 14.759 -2.559 1.00 0.00 O ATOM 633 NE2 GLN A 38 -2.384 15.721 -3.506 1.00 0.00 N ATOM 0 H GLN A 38 1.130 12.652 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.137 12.555 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.626 13.394 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.186 13.610 -5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.449 14.861 -4.896 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.927 15.679 -5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.857 16.002 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.818 15.905 -2.601 1.00 0.00 H new ATOM 642 N GLU A 39 -1.193 10.476 -6.176 1.00 0.00 N ATOM 643 CA GLU A 39 -1.878 9.311 -6.722 1.00 0.00 C ATOM 644 C GLU A 39 -1.827 8.149 -5.736 1.00 0.00 C ATOM 645 O GLU A 39 -2.823 7.450 -5.536 1.00 0.00 O ATOM 646 CB GLU A 39 -1.259 8.897 -8.061 1.00 0.00 C ATOM 647 CG GLU A 39 -1.292 9.990 -9.117 1.00 0.00 C ATOM 648 CD GLU A 39 -0.915 9.482 -10.493 1.00 0.00 C ATOM 649 OE1 GLU A 39 0.286 9.454 -10.818 1.00 0.00 O ATOM 650 OE2 GLU A 39 -1.830 9.106 -11.258 1.00 0.00 O ATOM 0 H GLU A 39 -0.334 10.728 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.921 9.579 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.224 8.597 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.788 8.023 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.291 10.423 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.609 10.789 -8.829 1.00 0.00 H new ATOM 657 N ILE A 40 -0.665 7.959 -5.115 1.00 0.00 N ATOM 658 CA ILE A 40 -0.480 6.899 -4.128 1.00 0.00 C ATOM 659 C ILE A 40 -1.463 7.058 -2.976 1.00 0.00 C ATOM 660 O ILE A 40 -2.160 6.114 -2.617 1.00 0.00 O ATOM 661 CB ILE A 40 0.954 6.898 -3.552 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.983 6.701 -4.666 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.109 5.809 -2.496 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.411 6.851 -4.195 1.00 0.00 C ATOM 0 H ILE A 40 0.165 8.528 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.657 5.955 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 40 1.130 7.866 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.853 5.709 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.792 7.423 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.126 5.825 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.403 5.986 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.909 4.836 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.089 6.699 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.557 7.851 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.619 6.111 -3.422 1.00 0.00 H new ATOM 676 N VAL A 41 -1.527 8.265 -2.427 1.00 0.00 N ATOM 677 CA VAL A 41 -2.381 8.549 -1.280 1.00 0.00 C ATOM 678 C VAL A 41 -3.834 8.164 -1.556 1.00 0.00 C ATOM 679 O VAL A 41 -4.465 7.480 -0.750 1.00 0.00 O ATOM 680 CB VAL A 41 -2.301 10.039 -0.879 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.256 10.346 0.263 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.877 10.414 -0.491 1.00 0.00 C ATOM 0 H VAL A 41 -0.994 9.068 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.014 7.943 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.596 10.636 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.181 11.401 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.277 10.121 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.996 9.736 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.841 11.467 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.557 9.804 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.212 10.240 -1.337 1.00 0.00 H new ATOM 692 N LYS A 42 -4.354 8.588 -2.703 1.00 0.00 N ATOM 693 CA LYS A 42 -5.740 8.299 -3.064 1.00 0.00 C ATOM 694 C LYS A 42 -5.972 6.798 -3.236 1.00 0.00 C ATOM 695 O LYS A 42 -7.021 6.275 -2.852 1.00 0.00 O ATOM 696 CB LYS A 42 -6.137 9.046 -4.338 1.00 0.00 C ATOM 697 CG LYS A 42 -6.094 10.558 -4.189 1.00 0.00 C ATOM 698 CD LYS A 42 -6.976 11.041 -3.043 1.00 0.00 C ATOM 699 CE LYS A 42 -8.454 10.784 -3.307 1.00 0.00 C ATOM 700 NZ LYS A 42 -8.953 11.534 -4.487 1.00 0.00 N ATOM 0 H LYS A 42 -3.840 9.131 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.370 8.646 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.470 8.749 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.144 8.745 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.066 10.877 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.419 11.024 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.680 10.538 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.816 12.108 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.613 9.717 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.033 11.067 -2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.992 11.493 -4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.647 12.526 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.571 11.109 -5.356 1.00 0.00 H new ATOM 714 N ALA A 43 -4.988 6.109 -3.805 1.00 0.00 N ATOM 715 CA ALA A 43 -5.088 4.670 -4.018 1.00 0.00 C ATOM 716 C ALA A 43 -5.059 3.926 -2.687 1.00 0.00 C ATOM 717 O ALA A 43 -5.886 3.048 -2.436 1.00 0.00 O ATOM 718 CB ALA A 43 -3.964 4.186 -4.924 1.00 0.00 C ATOM 0 H ALA A 43 -4.113 6.524 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.040 4.461 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.054 3.110 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.030 4.692 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.002 4.409 -4.462 1.00 0.00 H new ATOM 724 N GLU A 44 -4.110 4.298 -1.839 1.00 0.00 N ATOM 725 CA GLU A 44 -3.972 3.696 -0.518 1.00 0.00 C ATOM 726 C GLU A 44 -5.231 3.923 0.318 1.00 0.00 C ATOM 727 O GLU A 44 -5.662 3.034 1.052 1.00 0.00 O ATOM 728 CB GLU A 44 -2.752 4.279 0.198 1.00 0.00 C ATOM 729 CG GLU A 44 -1.425 3.968 -0.477 1.00 0.00 C ATOM 730 CD GLU A 44 -0.863 2.615 -0.087 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.210 2.508 0.963 1.00 0.00 O ATOM 732 OE2 GLU A 44 -1.042 1.634 -0.807 1.00 0.00 O ATOM 0 H GLU A 44 -3.419 5.020 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.834 2.622 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.867 5.361 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.726 3.896 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.557 4.002 -1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.703 4.743 -0.220 1.00 0.00 H new ATOM 739 N LYS A 45 -5.828 5.113 0.193 1.00 0.00 N ATOM 740 CA LYS A 45 -7.067 5.433 0.905 1.00 0.00 C ATOM 741 C LYS A 45 -8.175 4.458 0.529 1.00 0.00 C ATOM 742 O LYS A 45 -8.973 4.049 1.375 1.00 0.00 O ATOM 743 CB LYS A 45 -7.542 6.853 0.585 1.00 0.00 C ATOM 744 CG LYS A 45 -6.764 7.964 1.273 1.00 0.00 C ATOM 745 CD LYS A 45 -7.333 9.324 0.893 1.00 0.00 C ATOM 746 CE LYS A 45 -6.559 10.473 1.520 1.00 0.00 C ATOM 747 NZ LYS A 45 -6.734 10.552 2.996 1.00 0.00 N ATOM 0 H LYS A 45 -5.473 5.868 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.850 5.355 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.485 7.004 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.592 6.940 0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.809 7.833 2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.713 7.910 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.320 9.430 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.376 9.379 1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.500 10.359 1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.883 11.411 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.184 11.353 3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.740 10.689 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.400 9.669 3.433 1.00 0.00 H new ATOM 761 N GLN A 46 -8.221 4.092 -0.745 1.00 0.00 N ATOM 762 CA GLN A 46 -9.247 3.188 -1.237 1.00 0.00 C ATOM 763 C GLN A 46 -9.049 1.805 -0.629 1.00 0.00 C ATOM 764 O GLN A 46 -10.013 1.131 -0.260 1.00 0.00 O ATOM 765 CB GLN A 46 -9.210 3.114 -2.766 1.00 0.00 C ATOM 766 CG GLN A 46 -10.465 2.508 -3.377 1.00 0.00 C ATOM 767 CD GLN A 46 -11.713 3.311 -3.051 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.654 4.526 -2.868 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.852 2.641 -2.983 1.00 0.00 N ATOM 0 H GLN A 46 -7.560 4.408 -1.454 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.225 3.568 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.069 4.118 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.346 2.524 -3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.347 2.448 -4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.587 1.488 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.861 1.633 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.721 3.132 -2.773 1.00 0.00 H new ATOM 778 N GLY A 47 -7.788 1.401 -0.513 1.00 0.00 N ATOM 779 CA GLY A 47 -7.461 0.141 0.126 1.00 0.00 C ATOM 780 C GLY A 47 -7.845 0.138 1.592 1.00 0.00 C ATOM 781 O GLY A 47 -8.441 -0.819 2.080 1.00 0.00 O ATOM 0 H GLY A 47 -6.983 1.928 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.976 -0.671 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.392 -0.049 0.030 1.00 0.00 H new ATOM 785 N VAL A 48 -7.524 1.223 2.289 1.00 0.00 N ATOM 786 CA VAL A 48 -7.879 1.369 3.697 1.00 0.00 C ATOM 787 C VAL A 48 -9.390 1.246 3.890 1.00 0.00 C ATOM 788 O VAL A 48 -9.857 0.615 4.839 1.00 0.00 O ATOM 789 CB VAL A 48 -7.393 2.722 4.268 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.842 2.905 5.712 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.879 2.829 4.170 1.00 0.00 C ATOM 0 H VAL A 48 -7.016 2.018 1.900 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.380 0.566 4.240 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.842 3.516 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.485 3.865 6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.931 2.879 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.432 2.102 6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.555 3.787 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.420 2.020 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.576 2.757 3.125 1.00 0.00 H new ATOM 801 N LYS A 49 -10.150 1.828 2.974 1.00 0.00 N ATOM 802 CA LYS A 49 -11.600 1.786 3.059 1.00 0.00 C ATOM 803 C LYS A 49 -12.120 0.356 2.903 1.00 0.00 C ATOM 804 O LYS A 49 -12.917 -0.110 3.717 1.00 0.00 O ATOM 805 CB LYS A 49 -12.231 2.694 2.000 1.00 0.00 C ATOM 806 CG LYS A 49 -13.749 2.760 2.089 1.00 0.00 C ATOM 807 CD LYS A 49 -14.204 3.327 3.426 1.00 0.00 C ATOM 808 CE LYS A 49 -15.705 3.173 3.625 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.489 3.871 2.573 1.00 0.00 N ATOM 0 H LYS A 49 -9.787 2.333 2.166 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.885 2.149 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.824 3.700 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.947 2.337 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.136 3.379 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.166 1.762 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.677 2.820 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.936 4.382 3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.962 2.114 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.982 3.567 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.503 3.810 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.203 4.870 2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.310 3.422 1.652 1.00 0.00 H new ATOM 823 N VAL A 50 -11.657 -0.342 1.871 1.00 0.00 N ATOM 824 CA VAL A 50 -12.124 -1.698 1.608 1.00 0.00 C ATOM 825 C VAL A 50 -11.621 -2.677 2.668 1.00 0.00 C ATOM 826 O VAL A 50 -12.297 -3.651 2.988 1.00 0.00 O ATOM 827 CB VAL A 50 -11.730 -2.193 0.194 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.326 -1.292 -0.875 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.221 -2.288 0.029 1.00 0.00 C ATOM 0 H VAL A 50 -10.964 0.006 1.208 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.212 -1.662 1.655 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.138 -3.197 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.037 -1.657 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.413 -1.297 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.956 -0.275 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.986 -2.639 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.775 -1.305 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.818 -2.988 0.761 1.00 0.00 H new ATOM 839 N TYR A 51 -10.443 -2.411 3.223 1.00 0.00 N ATOM 840 CA TYR A 51 -9.908 -3.243 4.294 1.00 0.00 C ATOM 841 C TYR A 51 -10.690 -3.039 5.586 1.00 0.00 C ATOM 842 O TYR A 51 -10.925 -3.989 6.326 1.00 0.00 O ATOM 843 CB TYR A 51 -8.421 -2.970 4.525 1.00 0.00 C ATOM 844 CG TYR A 51 -7.505 -3.875 3.728 1.00 0.00 C ATOM 845 CD1 TYR A 51 -7.101 -3.541 2.441 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.047 -5.070 4.267 1.00 0.00 C ATOM 847 CE1 TYR A 51 -6.267 -4.370 1.716 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.212 -5.905 3.549 1.00 0.00 C ATOM 849 CZ TYR A 51 -5.826 -5.550 2.274 1.00 0.00 C ATOM 850 OH TYR A 51 -4.998 -6.383 1.556 1.00 0.00 O ATOM 0 H TYR A 51 -9.844 -1.631 2.951 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.016 -4.282 3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.207 -1.933 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.200 -3.087 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.445 -2.617 2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.349 -5.352 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.962 -4.095 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.864 -6.830 3.984 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.779 -7.171 2.096 1.00 0.00 H new ATOM 860 N LYS A 52 -11.098 -1.807 5.857 1.00 0.00 N ATOM 861 CA LYS A 52 -11.890 -1.528 7.048 1.00 0.00 C ATOM 862 C LYS A 52 -13.269 -2.163 6.929 1.00 0.00 C ATOM 863 O LYS A 52 -13.798 -2.701 7.902 1.00 0.00 O ATOM 864 CB LYS A 52 -12.002 -0.023 7.297 1.00 0.00 C ATOM 865 CG LYS A 52 -11.397 0.399 8.627 1.00 0.00 C ATOM 866 CD LYS A 52 -12.103 -0.273 9.795 1.00 0.00 C ATOM 867 CE LYS A 52 -11.317 -0.136 11.090 1.00 0.00 C ATOM 868 NZ LYS A 52 -11.091 1.283 11.471 1.00 0.00 N ATOM 0 H LYS A 52 -10.897 -0.993 5.276 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.381 -1.968 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.503 0.513 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.052 0.268 7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.338 0.143 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.465 1.482 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.092 0.167 9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.251 -1.329 9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.853 -0.643 11.892 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.355 -0.638 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.626 1.323 12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.485 1.741 10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.004 1.779 11.518 1.00 0.00 H new ATOM 882 N GLU A 53 -13.834 -2.124 5.729 1.00 0.00 N ATOM 883 CA GLU A 53 -15.101 -2.788 5.462 1.00 0.00 C ATOM 884 C GLU A 53 -14.945 -4.295 5.666 1.00 0.00 C ATOM 885 O GLU A 53 -15.843 -4.967 6.173 1.00 0.00 O ATOM 886 CB GLU A 53 -15.569 -2.481 4.040 1.00 0.00 C ATOM 887 CG GLU A 53 -16.965 -2.993 3.736 1.00 0.00 C ATOM 888 CD GLU A 53 -17.420 -2.653 2.333 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.687 -1.460 2.060 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.528 -3.574 1.494 1.00 0.00 O ATOM 0 H GLU A 53 -13.434 -1.639 4.926 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.855 -2.416 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.544 -1.403 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.867 -2.922 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.988 -4.075 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.667 -2.569 4.454 1.00 0.00 H new ATOM 897 N ALA A 54 -13.787 -4.812 5.275 1.00 0.00 N ATOM 898 CA ALA A 54 -13.466 -6.218 5.461 1.00 0.00 C ATOM 899 C ALA A 54 -13.288 -6.551 6.941 1.00 0.00 C ATOM 900 O ALA A 54 -13.603 -7.657 7.376 1.00 0.00 O ATOM 901 CB ALA A 54 -12.215 -6.585 4.679 1.00 0.00 C ATOM 0 H ALA A 54 -13.050 -4.271 4.823 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.301 -6.807 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.989 -7.641 4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.381 -6.397 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.377 -5.981 5.028 1.00 0.00 H new ATOM 907 N ALA A 55 -12.787 -5.590 7.710 1.00 0.00 N ATOM 908 CA ALA A 55 -12.572 -5.784 9.141 1.00 0.00 C ATOM 909 C ALA A 55 -13.893 -6.014 9.871 1.00 0.00 C ATOM 910 O ALA A 55 -13.978 -6.848 10.773 1.00 0.00 O ATOM 911 CB ALA A 55 -11.833 -4.592 9.735 1.00 0.00 C ATOM 0 H ALA A 55 -12.522 -4.667 7.366 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.958 -6.675 9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.681 -4.753 10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.866 -4.481 9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.422 -3.687 9.585 1.00 0.00 H new ATOM 917 N GLU A 56 -14.926 -5.279 9.476 1.00 0.00 N ATOM 918 CA GLU A 56 -16.252 -5.438 10.072 1.00 0.00 C ATOM 919 C GLU A 56 -17.027 -6.547 9.358 1.00 0.00 C ATOM 920 O GLU A 56 -18.117 -6.945 9.779 1.00 0.00 O ATOM 921 CB GLU A 56 -17.014 -4.109 10.039 1.00 0.00 C ATOM 922 CG GLU A 56 -17.035 -3.444 8.672 1.00 0.00 C ATOM 923 CD GLU A 56 -17.582 -2.030 8.722 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.828 -1.113 9.101 1.00 0.00 O ATOM 925 OE2 GLU A 56 -18.770 -1.833 8.386 1.00 0.00 O ATOM 0 H GLU A 56 -14.874 -4.568 8.747 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.139 -5.731 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.040 -4.282 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.563 -3.425 10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.024 -3.425 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.641 -4.041 7.991 1.00 0.00 H new ATOM 932 N LYS A 57 -16.438 -7.035 8.278 1.00 0.00 N ATOM 933 CA LYS A 57 -16.958 -8.173 7.527 1.00 0.00 C ATOM 934 C LYS A 57 -16.415 -9.479 8.118 1.00 0.00 C ATOM 935 O LYS A 57 -16.991 -10.554 7.926 1.00 0.00 O ATOM 936 CB LYS A 57 -16.543 -8.020 6.053 1.00 0.00 C ATOM 937 CG LYS A 57 -16.558 -9.298 5.222 1.00 0.00 C ATOM 938 CD LYS A 57 -17.932 -9.626 4.665 1.00 0.00 C ATOM 939 CE LYS A 57 -17.833 -10.758 3.653 1.00 0.00 C ATOM 940 NZ LYS A 57 -19.120 -11.025 2.961 1.00 0.00 N ATOM 0 H LYS A 57 -15.576 -6.650 7.892 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.046 -8.203 7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.207 -7.295 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.538 -7.600 6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.852 -9.197 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.213 -10.129 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.602 -9.911 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.361 -8.743 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.072 -10.512 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.503 -11.665 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.975 -11.745 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.820 -11.369 3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.467 -10.148 2.523 1.00 0.00 H new ATOM 954 N ALA A 58 -15.306 -9.364 8.848 1.00 0.00 N ATOM 955 CA ALA A 58 -14.647 -10.515 9.456 1.00 0.00 C ATOM 956 C ALA A 58 -15.579 -11.248 10.414 1.00 0.00 C ATOM 957 O ALA A 58 -16.308 -10.629 11.191 1.00 0.00 O ATOM 958 CB ALA A 58 -13.383 -10.079 10.180 1.00 0.00 C ATOM 0 H ALA A 58 -14.843 -8.474 9.033 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.378 -11.206 8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.902 -10.948 10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.700 -9.612 9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.640 -9.363 10.961 1.00 0.00 H new ATOM 964 N ARG A 59 -15.544 -12.569 10.354 1.00 0.00 N ATOM 965 CA ARG A 59 -16.440 -13.397 11.148 1.00 0.00 C ATOM 966 C ARG A 59 -15.773 -13.819 12.456 1.00 0.00 C ATOM 967 O ARG A 59 -16.445 -14.108 13.448 1.00 0.00 O ATOM 968 CB ARG A 59 -16.833 -14.636 10.343 1.00 0.00 C ATOM 969 CG ARG A 59 -18.208 -15.177 10.684 1.00 0.00 C ATOM 970 CD ARG A 59 -18.488 -16.474 9.949 1.00 0.00 C ATOM 971 NE ARG A 59 -19.912 -16.788 9.925 1.00 0.00 N ATOM 972 CZ ARG A 59 -20.425 -17.978 10.223 1.00 0.00 C ATOM 973 NH1 ARG A 59 -19.640 -18.958 10.661 1.00 0.00 N ATOM 974 NH2 ARG A 59 -21.729 -18.176 10.095 1.00 0.00 N ATOM 0 H ARG A 59 -14.902 -13.094 9.761 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.331 -12.817 11.390 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.802 -14.393 9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.093 -15.418 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.279 -15.343 11.759 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.966 -14.438 10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.115 -16.400 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.945 -17.288 10.429 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.558 -16.044 9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.638 -18.799 10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.040 -19.869 10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.330 -17.419 9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.131 -19.086 10.321 1.00 0.00 H new ATOM 988 N ASN A 60 -14.448 -13.847 12.452 1.00 0.00 N ATOM 989 CA ASN A 60 -13.683 -14.315 13.605 1.00 0.00 C ATOM 990 C ASN A 60 -12.594 -13.311 13.966 1.00 0.00 C ATOM 991 O ASN A 60 -12.030 -12.661 13.083 1.00 0.00 O ATOM 992 CB ASN A 60 -13.038 -15.677 13.308 1.00 0.00 C ATOM 993 CG ASN A 60 -14.052 -16.782 13.078 1.00 0.00 C ATOM 994 OD1 ASN A 60 -14.535 -16.973 11.962 1.00 0.00 O ATOM 995 ND2 ASN A 60 -14.359 -17.534 14.121 1.00 0.00 N ATOM 0 H ASN A 60 -13.876 -13.550 11.661 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.370 -14.419 14.445 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.403 -15.586 12.427 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.391 -15.954 14.140 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.018 -18.305 14.017 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.937 -17.343 15.030 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.289 -13.174 15.269 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.211 -12.299 15.749 1.00 0.00 C ATOM 1004 C PRO A 61 -9.869 -12.612 15.088 1.00 0.00 C ATOM 1005 O PRO A 61 -9.103 -11.706 14.760 1.00 0.00 O ATOM 1006 CB PRO A 61 -11.144 -12.597 17.250 1.00 0.00 C ATOM 1007 CG PRO A 61 -12.490 -13.119 17.600 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.986 -13.847 16.381 1.00 0.00 C ATOM 0 HA PRO A 61 -11.409 -11.253 15.517 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.367 -13.328 17.473 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.909 -11.698 17.820 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.437 -13.788 18.459 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.165 -12.307 17.870 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.744 -14.909 16.422 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.069 -13.770 16.281 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.598 -13.903 14.889 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.365 -14.338 14.236 1.00 0.00 C ATOM 1018 C GLU A 62 -8.265 -13.749 12.832 1.00 0.00 C ATOM 1019 O GLU A 62 -7.192 -13.340 12.391 1.00 0.00 O ATOM 1020 CB GLU A 62 -8.291 -15.870 14.145 1.00 0.00 C ATOM 1021 CG GLU A 62 -8.544 -16.598 15.457 1.00 0.00 C ATOM 1022 CD GLU A 62 -10.012 -16.878 15.692 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -10.493 -17.945 15.252 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -10.693 -16.036 16.311 1.00 0.00 O ATOM 0 H GLU A 62 -10.216 -14.664 15.171 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.533 -13.981 14.843 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.019 -16.212 13.409 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.306 -16.151 13.773 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.993 -17.539 15.458 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.155 -16.000 16.281 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.396 -13.691 12.140 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.430 -13.168 10.782 1.00 0.00 C ATOM 1033 C LYS A 63 -9.319 -11.650 10.804 1.00 0.00 C ATOM 1034 O LYS A 63 -8.741 -11.047 9.901 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.711 -13.601 10.066 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.963 -15.099 10.126 1.00 0.00 C ATOM 1037 CD LYS A 63 -9.770 -15.895 9.623 1.00 0.00 C ATOM 1038 CE LYS A 63 -9.997 -17.387 9.790 1.00 0.00 C ATOM 1039 NZ LYS A 63 -8.793 -18.182 9.435 1.00 0.00 N ATOM 0 H LYS A 63 -10.300 -14.000 12.497 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.581 -13.575 10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.559 -13.080 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.657 -13.291 9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.186 -15.389 11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.841 -15.344 9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.594 -15.666 8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.874 -15.597 10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.277 -17.597 10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.833 -17.698 9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.995 -19.194 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.539 -18.004 8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.001 -17.906 10.050 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.872 -11.037 11.848 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.758 -9.597 12.020 1.00 0.00 C ATOM 1055 C ARG A 64 -8.296 -9.201 12.181 1.00 0.00 C ATOM 1056 O ARG A 64 -7.869 -8.196 11.636 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.561 -9.105 13.227 1.00 0.00 C ATOM 1058 CG ARG A 64 -10.380 -7.614 13.488 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.100 -7.148 14.743 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.782 -5.752 15.050 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.656 -4.871 15.533 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -12.901 -5.242 15.809 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.276 -3.618 15.757 1.00 0.00 N ATOM 0 H ARG A 64 -10.399 -11.513 12.580 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.169 -9.127 11.127 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.618 -9.315 13.065 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.257 -9.664 14.112 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.317 -7.392 13.580 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.750 -7.051 12.631 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.176 -7.257 14.609 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.817 -7.781 15.584 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.828 -5.433 14.883 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.193 -6.207 15.651 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.566 -4.562 16.179 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.317 -3.333 15.559 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.943 -2.941 16.127 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.540 -10.006 12.926 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.129 -9.749 13.169 1.00 0.00 C ATOM 1079 C GLN A 65 -5.358 -9.610 11.857 1.00 0.00 C ATOM 1080 O GLN A 65 -4.547 -8.696 11.695 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.561 -10.892 14.012 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.166 -10.639 14.547 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.080 -11.360 13.765 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.201 -11.592 12.562 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.012 -11.734 14.451 1.00 0.00 N ATOM 0 H GLN A 65 -7.891 -10.852 13.375 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.023 -8.806 13.706 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.231 -11.077 14.851 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.547 -11.800 13.409 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.966 -9.568 14.528 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.122 -10.953 15.590 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.946 -11.524 15.447 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.254 -12.232 13.984 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.632 -10.508 10.919 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.972 -10.486 9.619 1.00 0.00 C ATOM 1096 C VAL A 66 -5.297 -9.196 8.866 1.00 0.00 C ATOM 1097 O VAL A 66 -4.403 -8.517 8.356 1.00 0.00 O ATOM 1098 CB VAL A 66 -5.395 -11.698 8.757 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.684 -11.685 7.410 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -5.128 -13.003 9.494 1.00 0.00 C ATOM 0 H VAL A 66 -6.308 -11.263 11.034 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.898 -10.537 9.800 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.467 -11.622 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.999 -12.548 6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.937 -10.770 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.606 -11.727 7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.433 -13.843 8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.064 -13.084 9.717 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.696 -13.018 10.424 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.578 -8.859 8.820 1.00 0.00 N ATOM 1111 CA ILE A 67 -7.040 -7.674 8.111 1.00 0.00 C ATOM 1112 C ILE A 67 -6.589 -6.400 8.829 1.00 0.00 C ATOM 1113 O ILE A 67 -6.126 -5.452 8.197 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.579 -7.681 7.976 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -9.042 -8.975 7.301 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -9.048 -6.471 7.184 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.547 -9.129 7.232 1.00 0.00 C ATOM 0 H ILE A 67 -7.321 -9.394 9.269 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.599 -7.690 7.114 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.018 -7.630 8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.637 -9.010 6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.624 -9.824 7.842 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.134 -6.491 7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.741 -5.559 7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.605 -6.494 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.794 -10.070 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.960 -9.127 8.241 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.972 -8.301 6.665 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.706 -6.405 10.152 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.349 -5.254 10.982 1.00 0.00 C ATOM 1131 C ASP A 68 -4.882 -4.887 10.812 1.00 0.00 C ATOM 1132 O ASP A 68 -4.532 -3.708 10.773 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.635 -5.564 12.457 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.376 -4.390 13.383 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.219 -4.204 13.817 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -7.341 -3.669 13.722 1.00 0.00 O ATOM 0 H ASP A 68 -7.051 -7.205 10.682 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.954 -4.406 10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.675 -5.875 12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.018 -6.406 12.769 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.031 -5.902 10.691 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.596 -5.686 10.544 1.00 0.00 C ATOM 1143 C LYS A 69 -2.299 -4.857 9.299 1.00 0.00 C ATOM 1144 O LYS A 69 -1.548 -3.882 9.349 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.879 -7.035 10.435 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.367 -6.920 10.332 1.00 0.00 C ATOM 1147 CD LYS A 69 0.269 -8.220 9.859 1.00 0.00 C ATOM 1148 CE LYS A 69 -0.074 -9.387 10.771 1.00 0.00 C ATOM 1149 NZ LYS A 69 0.633 -10.628 10.367 1.00 0.00 N ATOM 0 H LYS A 69 -4.311 -6.883 10.692 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.239 -5.145 11.420 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.129 -7.640 11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.254 -7.566 9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.110 -6.117 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.044 -6.647 11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.067 -8.441 8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.351 -8.099 9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.191 -9.136 11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.150 -9.559 10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.261 -11.432 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.483 -10.798 9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.651 -10.524 10.554 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.905 -5.240 8.188 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.732 -4.514 6.944 1.00 0.00 C ATOM 1165 C ILE A 70 -3.492 -3.194 6.973 1.00 0.00 C ATOM 1166 O ILE A 70 -3.003 -2.184 6.485 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.150 -5.363 5.725 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.232 -6.587 5.623 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.096 -4.536 4.447 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.427 -7.415 4.370 1.00 0.00 C ATOM 0 H ILE A 70 -3.521 -6.050 8.123 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.669 -4.294 6.840 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.179 -5.698 5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.195 -6.253 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.397 -7.223 6.493 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.395 -5.154 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.775 -3.688 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.080 -4.173 4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.738 -8.259 4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.452 -7.784 4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.232 -6.799 3.493 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.681 -3.209 7.564 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.500 -2.005 7.694 1.00 0.00 C ATOM 1184 C LEU A 71 -4.720 -0.906 8.416 1.00 0.00 C ATOM 1185 O LEU A 71 -4.668 0.238 7.959 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.800 -2.348 8.445 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.858 -1.236 8.552 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.549 -0.277 9.692 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.976 -0.479 7.238 1.00 0.00 C ATOM 0 H LEU A 71 -5.104 -4.047 7.964 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.758 -1.632 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.259 -3.206 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.535 -2.662 9.455 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.814 -1.713 8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.318 0.495 9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.530 -0.825 10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.578 0.188 9.523 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.729 0.303 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.015 -0.028 6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.268 -1.168 6.446 1.00 0.00 H new ATOM 1201 N GLU A 72 -4.106 -1.269 9.535 1.00 0.00 N ATOM 1202 CA GLU A 72 -3.318 -0.330 10.320 1.00 0.00 C ATOM 1203 C GLU A 72 -2.103 0.131 9.523 1.00 0.00 C ATOM 1204 O GLU A 72 -1.761 1.313 9.511 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.869 -0.999 11.624 1.00 0.00 C ATOM 1206 CG GLU A 72 -3.092 -0.151 12.866 1.00 0.00 C ATOM 1207 CD GLU A 72 -2.271 1.119 12.882 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -2.754 2.148 12.369 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -1.147 1.102 13.433 1.00 0.00 O ATOM 0 H GLU A 72 -4.140 -2.213 9.920 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.931 0.540 10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.405 -1.941 11.740 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.809 -1.242 11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.149 0.107 12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.850 -0.742 13.749 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.469 -0.812 8.839 1.00 0.00 N ATOM 1217 CA ASP A 73 -0.253 -0.526 8.087 1.00 0.00 C ATOM 1218 C ASP A 73 -0.555 0.348 6.877 1.00 0.00 C ATOM 1219 O ASP A 73 0.229 1.216 6.518 1.00 0.00 O ATOM 1220 CB ASP A 73 0.393 -1.816 7.597 1.00 0.00 C ATOM 1221 CG ASP A 73 1.904 -1.757 7.609 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.507 -1.579 8.687 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.502 -1.896 6.521 1.00 0.00 O ATOM 0 H ASP A 73 -1.777 -1.783 8.789 1.00 0.00 H new ATOM 0 HA ASP A 73 0.427 -0.002 8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.061 -2.644 8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.050 -2.026 6.584 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.693 0.100 6.250 1.00 0.00 N ATOM 1229 CA GLU A 74 -2.076 0.805 5.036 1.00 0.00 C ATOM 1230 C GLU A 74 -2.370 2.274 5.350 1.00 0.00 C ATOM 1231 O GLU A 74 -2.067 3.161 4.552 1.00 0.00 O ATOM 1232 CB GLU A 74 -3.285 0.109 4.403 1.00 0.00 C ATOM 1233 CG GLU A 74 -3.235 0.039 2.884 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.911 -0.493 2.360 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.609 -1.707 2.526 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -1.147 0.298 1.777 1.00 0.00 O ATOM 0 H GLU A 74 -2.374 -0.591 6.565 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.255 0.781 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.358 -0.903 4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.192 0.635 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.044 -0.599 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.409 1.034 2.473 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.943 2.526 6.527 1.00 0.00 N ATOM 1244 CA GLU A 75 -3.104 3.889 7.022 1.00 0.00 C ATOM 1245 C GLU A 75 -1.714 4.472 7.284 1.00 0.00 C ATOM 1246 O GLU A 75 -1.416 5.604 6.893 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.970 3.878 8.304 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.483 5.245 8.778 1.00 0.00 C ATOM 1249 CD GLU A 75 -3.358 6.183 9.161 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -2.510 5.753 9.957 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -3.227 7.233 8.498 1.00 0.00 O ATOM 0 H GLU A 75 -3.302 1.805 7.152 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.615 4.512 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.829 3.228 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.387 3.431 9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.079 5.701 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.143 5.105 9.634 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.855 3.655 7.892 1.00 0.00 N ATOM 1259 CA LYS A 76 0.514 4.051 8.218 1.00 0.00 C ATOM 1260 C LYS A 76 1.272 4.486 6.965 1.00 0.00 C ATOM 1261 O LYS A 76 2.040 5.448 7.000 1.00 0.00 O ATOM 1262 CB LYS A 76 1.238 2.874 8.880 1.00 0.00 C ATOM 1263 CG LYS A 76 2.698 3.136 9.212 1.00 0.00 C ATOM 1264 CD LYS A 76 3.427 1.839 9.540 1.00 0.00 C ATOM 1265 CE LYS A 76 2.823 1.145 10.750 1.00 0.00 C ATOM 1266 NZ LYS A 76 3.353 -0.232 10.926 1.00 0.00 N ATOM 0 H LYS A 76 -1.088 2.702 8.172 1.00 0.00 H new ATOM 0 HA LYS A 76 0.478 4.897 8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.712 2.610 9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.179 2.009 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.184 3.626 8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.765 3.819 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.386 1.171 8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.479 2.051 9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.032 1.731 11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.739 1.105 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.092 -0.587 11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.950 -0.855 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.389 -0.219 10.836 1.00 0.00 H new ATOM 1280 N HIS A 77 1.050 3.776 5.862 1.00 0.00 N ATOM 1281 CA HIS A 77 1.674 4.120 4.586 1.00 0.00 C ATOM 1282 C HIS A 77 1.283 5.530 4.163 1.00 0.00 C ATOM 1283 O HIS A 77 2.131 6.336 3.777 1.00 0.00 O ATOM 1284 CB HIS A 77 1.250 3.155 3.481 1.00 0.00 C ATOM 1285 CG HIS A 77 1.658 1.729 3.678 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.172 0.701 2.906 1.00 0.00 N ATOM 1287 CD2 HIS A 77 2.499 1.160 4.581 1.00 0.00 C ATOM 1288 CE1 HIS A 77 1.710 -0.436 3.354 1.00 0.00 C ATOM 1289 NE2 HIS A 77 2.526 -0.223 4.371 1.00 0.00 N ATOM 0 H HIS A 77 0.442 2.958 5.825 1.00 0.00 H new ATOM 0 HA HIS A 77 2.752 4.054 4.730 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.165 3.194 3.385 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.666 3.506 2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.057 1.690 5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.503 -1.410 2.936 1.00 0.00 H new ATOM 1296 N ILE A 78 -0.014 5.815 4.239 1.00 0.00 N ATOM 1297 CA ILE A 78 -0.541 7.115 3.850 1.00 0.00 C ATOM 1298 C ILE A 78 0.054 8.215 4.719 1.00 0.00 C ATOM 1299 O ILE A 78 0.530 9.231 4.210 1.00 0.00 O ATOM 1300 CB ILE A 78 -2.079 7.164 3.963 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -2.711 6.041 3.141 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.602 8.519 3.501 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -4.219 5.980 3.256 1.00 0.00 C ATOM 0 H ILE A 78 -0.721 5.158 4.569 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.262 7.274 2.808 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.354 7.024 5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.440 6.172 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.292 5.087 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.688 8.538 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.175 9.305 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.317 8.684 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.597 5.160 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.498 5.817 4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.649 6.919 2.908 1.00 0.00 H new ATOM 1315 N GLU A 79 0.033 8.001 6.029 1.00 0.00 N ATOM 1316 CA GLU A 79 0.601 8.960 6.967 1.00 0.00 C ATOM 1317 C GLU A 79 2.085 9.171 6.678 1.00 0.00 C ATOM 1318 O GLU A 79 2.600 10.286 6.787 1.00 0.00 O ATOM 1319 CB GLU A 79 0.409 8.479 8.407 1.00 0.00 C ATOM 1320 CG GLU A 79 0.863 9.486 9.449 1.00 0.00 C ATOM 1321 CD GLU A 79 0.714 8.966 10.861 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -0.391 9.088 11.431 1.00 0.00 O ATOM 1323 OE2 GLU A 79 1.706 8.446 11.412 1.00 0.00 O ATOM 0 H GLU A 79 -0.371 7.172 6.465 1.00 0.00 H new ATOM 0 HA GLU A 79 0.081 9.910 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.645 8.252 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.961 7.549 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.906 9.745 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.284 10.403 9.340 1.00 0.00 H new ATOM 1330 N TRP A 80 2.761 8.093 6.294 1.00 0.00 N ATOM 1331 CA TRP A 80 4.179 8.146 5.964 1.00 0.00 C ATOM 1332 C TRP A 80 4.409 9.002 4.723 1.00 0.00 C ATOM 1333 O TRP A 80 5.220 9.928 4.740 1.00 0.00 O ATOM 1334 CB TRP A 80 4.718 6.728 5.744 1.00 0.00 C ATOM 1335 CG TRP A 80 6.197 6.665 5.516 1.00 0.00 C ATOM 1336 CD1 TRP A 80 6.836 5.968 4.537 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.220 7.322 6.277 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.196 6.142 4.643 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.455 6.971 5.704 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.209 8.170 7.389 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.668 7.440 6.206 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.412 8.634 7.883 1.00 0.00 C ATOM 1343 CH2 TRP A 80 9.627 8.268 7.293 1.00 0.00 C ATOM 0 H TRP A 80 2.345 7.166 6.204 1.00 0.00 H new ATOM 0 HA TRP A 80 4.715 8.602 6.796 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.469 6.117 6.612 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.210 6.287 4.887 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.346 5.366 3.786 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.897 5.723 4.032 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.277 8.457 7.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.607 7.159 5.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.415 9.291 8.740 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.551 8.647 7.705 1.00 0.00 H new ATOM 1354 N HIS A 81 3.683 8.695 3.652 1.00 0.00 N ATOM 1355 CA HIS A 81 3.776 9.465 2.417 1.00 0.00 C ATOM 1356 C HIS A 81 3.386 10.927 2.626 1.00 0.00 C ATOM 1357 O HIS A 81 3.966 11.825 2.016 1.00 0.00 O ATOM 1358 CB HIS A 81 2.906 8.840 1.326 1.00 0.00 C ATOM 1359 CG HIS A 81 3.612 7.774 0.553 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.386 8.028 -0.556 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.678 6.436 0.757 1.00 0.00 C ATOM 1362 CE1 HIS A 81 4.893 6.868 -0.982 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.497 5.869 -0.220 1.00 0.00 N ATOM 0 H HIS A 81 3.024 7.918 3.615 1.00 0.00 H new ATOM 0 HA HIS A 81 4.819 9.441 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.010 8.418 1.781 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.577 9.621 0.640 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.545 8.942 -0.979 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.178 5.896 1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.542 6.763 -1.839 1.00 0.00 H new ATOM 1371 N LYS A 82 2.412 11.167 3.492 1.00 0.00 N ATOM 1372 CA LYS A 82 1.973 12.526 3.784 1.00 0.00 C ATOM 1373 C LYS A 82 3.086 13.292 4.500 1.00 0.00 C ATOM 1374 O LYS A 82 3.276 14.487 4.274 1.00 0.00 O ATOM 1375 CB LYS A 82 0.697 12.505 4.636 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.291 13.628 4.321 1.00 0.00 C ATOM 1377 CD LYS A 82 0.243 15.006 4.695 1.00 0.00 C ATOM 1378 CE LYS A 82 0.370 15.174 6.202 1.00 0.00 C ATOM 1379 NZ LYS A 82 0.891 16.517 6.575 1.00 0.00 N ATOM 0 H LYS A 82 1.911 10.441 4.004 1.00 0.00 H new ATOM 0 HA LYS A 82 1.748 13.033 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.196 11.547 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.976 12.567 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.526 13.611 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.223 13.447 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.217 15.157 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.422 15.773 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.604 15.022 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.035 14.406 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.961 16.587 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.832 16.653 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.244 17.251 6.222 1.00 0.00 H new ATOM 1393 N ALA A 83 3.828 12.588 5.349 1.00 0.00 N ATOM 1394 CA ALA A 83 4.917 13.192 6.116 1.00 0.00 C ATOM 1395 C ALA A 83 6.072 13.619 5.212 1.00 0.00 C ATOM 1396 O ALA A 83 6.882 14.466 5.588 1.00 0.00 O ATOM 1397 CB ALA A 83 5.415 12.227 7.183 1.00 0.00 C ATOM 0 H ALA A 83 3.695 11.592 5.525 1.00 0.00 H new ATOM 0 HA ALA A 83 4.523 14.086 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.225 12.692 7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.598 11.981 7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.779 11.316 6.708 1.00 0.00 H new ATOM 1403 N ALA A 84 6.137 13.035 4.020 1.00 0.00 N ATOM 1404 CA ALA A 84 7.201 13.335 3.062 1.00 0.00 C ATOM 1405 C ALA A 84 7.018 14.715 2.428 1.00 0.00 C ATOM 1406 O ALA A 84 7.913 15.213 1.741 1.00 0.00 O ATOM 1407 CB ALA A 84 7.258 12.261 1.986 1.00 0.00 C ATOM 0 H ALA A 84 5.461 12.346 3.690 1.00 0.00 H new ATOM 0 HA ALA A 84 8.145 13.345 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.054 12.496 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.456 11.294 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.305 12.223 1.459 1.00 0.00 H new ATOM 1413 N SER A 85 5.854 15.320 2.650 1.00 0.00 N ATOM 1414 CA SER A 85 5.552 16.642 2.106 1.00 0.00 C ATOM 1415 C SER A 85 6.618 17.664 2.501 1.00 0.00 C ATOM 1416 O SER A 85 7.109 17.651 3.632 1.00 0.00 O ATOM 1417 CB SER A 85 4.185 17.119 2.599 1.00 0.00 C ATOM 1418 OG SER A 85 3.161 16.210 2.232 1.00 0.00 O ATOM 0 H SER A 85 5.101 14.914 3.205 1.00 0.00 H new ATOM 0 HA SER A 85 5.540 16.556 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.205 17.230 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.968 18.103 2.182 1.00 0.00 H new ATOM 0 HG SER A 85 3.216 15.410 2.796 1.00 0.00 H new ATOM 1424 N LYS A 86 6.979 18.523 1.544 1.00 0.00 N ATOM 1425 CA LYS A 86 7.923 19.628 1.759 1.00 0.00 C ATOM 1426 C LYS A 86 9.375 19.149 1.848 1.00 0.00 C ATOM 1427 O LYS A 86 10.296 19.903 1.537 1.00 0.00 O ATOM 1428 CB LYS A 86 7.554 20.442 3.005 1.00 0.00 C ATOM 1429 CG LYS A 86 6.184 21.093 2.920 1.00 0.00 C ATOM 1430 CD LYS A 86 5.869 21.878 4.179 1.00 0.00 C ATOM 1431 CE LYS A 86 4.457 22.438 4.151 1.00 0.00 C ATOM 1432 NZ LYS A 86 4.151 23.232 5.369 1.00 0.00 N ATOM 0 H LYS A 86 6.623 18.472 0.590 1.00 0.00 H new ATOM 0 HA LYS A 86 7.845 20.273 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.584 19.789 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.306 21.216 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.147 21.757 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.424 20.327 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.988 21.233 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.583 22.695 4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.333 23.065 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.743 21.619 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.179 23.596 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.244 22.627 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.815 24.029 5.440 1.00 0.00 H new ATOM 1446 N GLN A 87 9.581 17.908 2.274 1.00 0.00 N ATOM 1447 CA GLN A 87 10.921 17.339 2.326 1.00 0.00 C ATOM 1448 C GLN A 87 11.455 17.138 0.917 1.00 0.00 C ATOM 1449 O GLN A 87 12.524 17.643 0.569 1.00 0.00 O ATOM 1450 CB GLN A 87 10.932 16.011 3.086 1.00 0.00 C ATOM 1451 CG GLN A 87 10.624 16.150 4.567 1.00 0.00 C ATOM 1452 CD GLN A 87 10.732 14.831 5.306 1.00 0.00 C ATOM 1453 OE1 GLN A 87 11.509 13.952 4.927 1.00 0.00 O ATOM 1454 NE2 GLN A 87 9.960 14.687 6.371 1.00 0.00 N ATOM 0 H GLN A 87 8.841 17.280 2.587 1.00 0.00 H new ATOM 0 HA GLN A 87 11.565 18.038 2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.203 15.338 2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.910 15.545 2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.311 16.870 5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.618 16.551 4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.331 15.440 6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.994 13.823 6.913 1.00 0.00 H new ATOM 1463 N GLY A 88 10.689 16.420 0.108 1.00 0.00 N ATOM 1464 CA GLY A 88 11.079 16.180 -1.265 1.00 0.00 C ATOM 1465 C GLY A 88 12.180 15.150 -1.370 1.00 0.00 C ATOM 1466 O GLY A 88 11.937 13.959 -1.159 1.00 0.00 O ATOM 0 H GLY A 88 9.801 15.998 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.213 15.844 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.413 17.115 -1.716 1.00 0.00 H new ATOM 1470 N ASN A 89 13.390 15.616 -1.679 1.00 0.00 N ATOM 1471 CA ASN A 89 14.566 14.748 -1.804 1.00 0.00 C ATOM 1472 C ASN A 89 14.426 13.806 -3.000 1.00 0.00 C ATOM 1473 O ASN A 89 13.461 13.888 -3.759 1.00 0.00 O ATOM 1474 CB ASN A 89 14.792 13.941 -0.517 1.00 0.00 C ATOM 1475 CG ASN A 89 15.095 14.818 0.689 1.00 0.00 C ATOM 1476 OD1 ASN A 89 15.836 15.896 0.474 1.00 0.00 O flip ATOM 1477 ND2 ASN A 89 14.685 14.516 1.811 1.00 0.00 N flip ATOM 0 H ASN A 89 13.585 16.603 -1.850 1.00 0.00 H new ATOM 0 HA ASN A 89 15.433 15.387 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.905 13.342 -0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.618 13.246 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.117 13.678 1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.914 15.104 2.613 1.00 0.00 H new ATOM 1484 N ALA A 90 15.398 12.925 -3.181 1.00 0.00 N ATOM 1485 CA ALA A 90 15.350 11.968 -4.276 1.00 0.00 C ATOM 1486 C ALA A 90 15.875 10.618 -3.819 1.00 0.00 C ATOM 1487 O ALA A 90 15.161 9.618 -3.842 1.00 0.00 O ATOM 1488 CB ALA A 90 16.151 12.478 -5.465 1.00 0.00 C ATOM 0 H ALA A 90 16.225 12.853 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 90 14.312 11.849 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.104 11.750 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.734 13.426 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.190 12.624 -5.168 1.00 0.00 H new ATOM 1494 N GLU A 91 17.122 10.613 -3.381 1.00 0.00 N ATOM 1495 CA GLU A 91 17.769 9.413 -2.868 1.00 0.00 C ATOM 1496 C GLU A 91 17.041 8.897 -1.626 1.00 0.00 C ATOM 1497 O GLU A 91 16.839 7.691 -1.468 1.00 0.00 O ATOM 1498 CB GLU A 91 19.254 9.687 -2.551 1.00 0.00 C ATOM 1499 CG GLU A 91 19.504 10.745 -1.476 1.00 0.00 C ATOM 1500 CD GLU A 91 18.963 12.113 -1.846 1.00 0.00 C ATOM 1501 OE1 GLU A 91 19.673 12.871 -2.537 1.00 0.00 O ATOM 1502 OE2 GLU A 91 17.811 12.419 -1.475 1.00 0.00 O ATOM 0 H GLU A 91 17.717 11.441 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 91 17.720 8.644 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.720 8.754 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.754 9.998 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.045 10.420 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.576 10.822 -1.294 1.00 0.00 H new ATOM 1509 N GLN A 92 16.638 9.821 -0.755 1.00 0.00 N ATOM 1510 CA GLN A 92 15.887 9.469 0.444 1.00 0.00 C ATOM 1511 C GLN A 92 14.497 8.963 0.078 1.00 0.00 C ATOM 1512 O GLN A 92 14.054 7.928 0.577 1.00 0.00 O ATOM 1513 CB GLN A 92 15.789 10.671 1.391 1.00 0.00 C ATOM 1514 CG GLN A 92 17.094 10.988 2.107 1.00 0.00 C ATOM 1515 CD GLN A 92 17.018 12.236 2.966 1.00 0.00 C ATOM 1516 OE1 GLN A 92 17.331 13.334 2.513 1.00 0.00 O ATOM 1517 NE2 GLN A 92 16.603 12.079 4.210 1.00 0.00 N ATOM 0 H GLN A 92 16.820 10.819 -0.859 1.00 0.00 H new ATOM 0 HA GLN A 92 16.419 8.668 0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.474 11.546 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.015 10.477 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 92 17.372 10.140 2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.885 11.111 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.352 11.151 4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.534 12.886 4.830 1.00 0.00 H new ATOM 1526 N PHE A 93 13.830 9.681 -0.819 1.00 0.00 N ATOM 1527 CA PHE A 93 12.484 9.315 -1.249 1.00 0.00 C ATOM 1528 C PHE A 93 12.491 7.959 -1.956 1.00 0.00 C ATOM 1529 O PHE A 93 11.582 7.148 -1.775 1.00 0.00 O ATOM 1530 CB PHE A 93 11.907 10.397 -2.168 1.00 0.00 C ATOM 1531 CG PHE A 93 10.475 10.159 -2.555 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.448 10.403 -1.654 1.00 0.00 C ATOM 1533 CD2 PHE A 93 10.155 9.692 -3.817 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.130 10.182 -2.008 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.840 9.470 -4.175 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.826 9.716 -3.271 1.00 0.00 C ATOM 0 H PHE A 93 14.200 10.521 -1.264 1.00 0.00 H new ATOM 0 HA PHE A 93 11.851 9.234 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.984 11.363 -1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.514 10.455 -3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.681 10.770 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.942 9.499 -4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.340 10.374 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.604 9.104 -5.163 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.797 9.544 -3.551 1.00 0.00 H new ATOM 1546 N ALA A 94 13.537 7.716 -2.743 1.00 0.00 N ATOM 1547 CA ALA A 94 13.702 6.449 -3.452 1.00 0.00 C ATOM 1548 C ALA A 94 13.715 5.276 -2.483 1.00 0.00 C ATOM 1549 O ALA A 94 13.133 4.226 -2.752 1.00 0.00 O ATOM 1550 CB ALA A 94 14.985 6.462 -4.277 1.00 0.00 C ATOM 0 H ALA A 94 14.289 8.386 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 94 12.852 6.328 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 94 15.092 5.511 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.941 7.272 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.840 6.613 -3.618 1.00 0.00 H new ATOM 1556 N SER A 95 14.370 5.462 -1.346 1.00 0.00 N ATOM 1557 CA SER A 95 14.453 4.416 -0.342 1.00 0.00 C ATOM 1558 C SER A 95 13.084 4.169 0.280 1.00 0.00 C ATOM 1559 O SER A 95 12.708 3.027 0.540 1.00 0.00 O ATOM 1560 CB SER A 95 15.474 4.792 0.736 1.00 0.00 C ATOM 1561 OG SER A 95 15.637 3.744 1.676 1.00 0.00 O ATOM 0 H SER A 95 14.850 6.327 -1.098 1.00 0.00 H new ATOM 0 HA SER A 95 14.784 3.496 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.433 5.018 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.148 5.697 1.249 1.00 0.00 H new ATOM 0 HG SER A 95 16.295 4.010 2.352 1.00 0.00 H new ATOM 1567 N LEU A 96 12.329 5.244 0.484 1.00 0.00 N ATOM 1568 CA LEU A 96 11.015 5.156 1.112 1.00 0.00 C ATOM 1569 C LEU A 96 10.070 4.305 0.273 1.00 0.00 C ATOM 1570 O LEU A 96 9.337 3.465 0.800 1.00 0.00 O ATOM 1571 CB LEU A 96 10.421 6.554 1.312 1.00 0.00 C ATOM 1572 CG LEU A 96 11.302 7.533 2.095 1.00 0.00 C ATOM 1573 CD1 LEU A 96 10.592 8.868 2.262 1.00 0.00 C ATOM 1574 CD2 LEU A 96 11.673 6.950 3.450 1.00 0.00 C ATOM 0 H LEU A 96 12.606 6.190 0.222 1.00 0.00 H new ATOM 0 HA LEU A 96 11.138 4.682 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.209 6.984 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.467 6.455 1.830 1.00 0.00 H new ATOM 0 HG LEU A 96 12.220 7.699 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.231 9.552 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.377 9.291 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.659 8.718 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.299 7.659 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.766 6.755 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.220 6.018 3.308 1.00 0.00 H new ATOM 1586 N VAL A 97 10.106 4.516 -1.036 1.00 0.00 N ATOM 1587 CA VAL A 97 9.270 3.763 -1.961 1.00 0.00 C ATOM 1588 C VAL A 97 9.648 2.283 -1.941 1.00 0.00 C ATOM 1589 O VAL A 97 8.785 1.409 -2.029 1.00 0.00 O ATOM 1590 CB VAL A 97 9.391 4.306 -3.400 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.417 3.596 -4.329 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.157 5.809 -3.427 1.00 0.00 C ATOM 0 H VAL A 97 10.709 5.207 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 97 8.237 3.878 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 97 10.403 4.109 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.520 3.995 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.635 2.528 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.397 3.756 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.247 6.173 -4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.158 6.029 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.898 6.304 -2.800 1.00 0.00 H new ATOM 1602 N GLN A 98 10.939 2.009 -1.798 1.00 0.00 N ATOM 1603 CA GLN A 98 11.430 0.637 -1.763 1.00 0.00 C ATOM 1604 C GLN A 98 10.913 -0.098 -0.530 1.00 0.00 C ATOM 1605 O GLN A 98 10.629 -1.295 -0.584 1.00 0.00 O ATOM 1606 CB GLN A 98 12.958 0.607 -1.783 1.00 0.00 C ATOM 1607 CG GLN A 98 13.559 1.112 -3.083 1.00 0.00 C ATOM 1608 CD GLN A 98 15.073 1.086 -3.075 1.00 0.00 C ATOM 1609 OE1 GLN A 98 15.680 2.184 -2.659 1.00 0.00 O flip ATOM 1610 NE2 GLN A 98 15.690 0.091 -3.448 1.00 0.00 N flip ATOM 0 H GLN A 98 11.665 2.719 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 98 11.056 0.130 -2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.336 1.212 -0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.295 -0.415 -1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.193 0.502 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.218 2.131 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.182 -0.736 -3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.710 0.092 -3.444 1.00 0.00 H new ATOM 1619 N GLN A 99 10.784 0.625 0.577 1.00 0.00 N ATOM 1620 CA GLN A 99 10.266 0.038 1.807 1.00 0.00 C ATOM 1621 C GLN A 99 8.785 -0.281 1.643 1.00 0.00 C ATOM 1622 O GLN A 99 8.318 -1.344 2.045 1.00 0.00 O ATOM 1623 CB GLN A 99 10.456 0.990 2.991 1.00 0.00 C ATOM 1624 CG GLN A 99 11.859 1.567 3.114 1.00 0.00 C ATOM 1625 CD GLN A 99 12.945 0.508 3.144 1.00 0.00 C ATOM 1626 OE1 GLN A 99 12.730 -0.617 3.599 1.00 0.00 O ATOM 1627 NE2 GLN A 99 14.125 0.863 2.660 1.00 0.00 N ATOM 0 H GLN A 99 11.029 1.613 0.648 1.00 0.00 H new ATOM 0 HA GLN A 99 10.820 -0.879 2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.745 1.811 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.212 0.459 3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.042 2.241 2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.920 2.165 4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.263 1.804 2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.896 0.195 2.655 1.00 0.00 H new ATOM 1636 N HIS A 100 8.067 0.649 1.025 1.00 0.00 N ATOM 1637 CA HIS A 100 6.634 0.499 0.778 1.00 0.00 C ATOM 1638 C HIS A 100 6.386 -0.675 -0.170 1.00 0.00 C ATOM 1639 O HIS A 100 5.512 -1.505 0.070 1.00 0.00 O ATOM 1640 CB HIS A 100 6.086 1.798 0.171 1.00 0.00 C ATOM 1641 CG HIS A 100 4.593 1.969 0.248 1.00 0.00 C ATOM 1642 ND1 HIS A 100 3.976 3.185 0.096 1.00 0.00 N ATOM 1643 CD2 HIS A 100 3.595 1.068 0.448 1.00 0.00 C ATOM 1644 CE1 HIS A 100 2.659 3.004 0.203 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.363 1.731 0.418 1.00 0.00 N ATOM 0 H HIS A 100 8.458 1.526 0.681 1.00 0.00 H new ATOM 0 HA HIS A 100 6.122 0.298 1.719 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.557 2.641 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.386 1.844 -0.876 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.445 4.076 -0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.731 0.008 0.605 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.927 3.794 0.124 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.436 1.322 0.536 1.00 0.00 H new ATOM 1653 N LEU A 101 7.183 -0.740 -1.232 1.00 0.00 N ATOM 1654 CA LEU A 101 7.052 -1.787 -2.241 1.00 0.00 C ATOM 1655 C LEU A 101 7.239 -3.174 -1.627 1.00 0.00 C ATOM 1656 O LEU A 101 6.415 -4.065 -1.825 1.00 0.00 O ATOM 1657 CB LEU A 101 8.088 -1.569 -3.349 1.00 0.00 C ATOM 1658 CG LEU A 101 8.003 -2.539 -4.527 1.00 0.00 C ATOM 1659 CD1 LEU A 101 6.723 -2.309 -5.312 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.218 -2.386 -5.429 1.00 0.00 C ATOM 0 H LEU A 101 7.933 -0.074 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 101 6.047 -1.733 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.980 -0.553 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.084 -1.642 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 101 7.989 -3.557 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.678 -3.008 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.863 -2.466 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.708 -1.288 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.142 -3.084 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.261 -1.366 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.123 -2.598 -4.860 1.00 0.00 H new ATOM 1672 N GLN A 102 8.313 -3.338 -0.860 1.00 0.00 N ATOM 1673 CA GLN A 102 8.613 -4.610 -0.207 1.00 0.00 C ATOM 1674 C GLN A 102 7.546 -4.951 0.823 1.00 0.00 C ATOM 1675 O GLN A 102 7.200 -6.116 1.026 1.00 0.00 O ATOM 1676 CB GLN A 102 9.991 -4.551 0.457 1.00 0.00 C ATOM 1677 CG GLN A 102 11.082 -5.218 -0.359 1.00 0.00 C ATOM 1678 CD GLN A 102 10.953 -6.729 -0.362 1.00 0.00 C ATOM 1679 OE1 GLN A 102 10.489 -7.328 0.613 1.00 0.00 O ATOM 1680 NE2 GLN A 102 11.348 -7.353 -1.456 1.00 0.00 N ATOM 0 H GLN A 102 8.994 -2.602 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 102 8.620 -5.393 -0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.260 -3.508 0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.936 -5.029 1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.043 -4.850 -1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.056 -4.939 0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.726 -6.820 -2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.275 -8.369 -1.518 1.00 0.00 H new ATOM 1689 N ASP A 103 7.031 -3.918 1.467 1.00 0.00 N ATOM 1690 CA ASP A 103 6.005 -4.070 2.485 1.00 0.00 C ATOM 1691 C ASP A 103 4.700 -4.591 1.882 1.00 0.00 C ATOM 1692 O ASP A 103 4.124 -5.557 2.382 1.00 0.00 O ATOM 1693 CB ASP A 103 5.773 -2.728 3.184 1.00 0.00 C ATOM 1694 CG ASP A 103 4.546 -2.724 4.062 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.422 -2.680 3.561 1.00 0.00 O ATOM 1696 OD2 ASP A 103 4.642 -2.722 5.292 1.00 0.00 O ATOM 0 H ASP A 103 7.311 -2.952 1.300 1.00 0.00 H new ATOM 0 HA ASP A 103 6.347 -4.803 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.646 -2.484 3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.677 -1.945 2.432 1.00 0.00 H new ATOM 1701 N GLU A 104 4.245 -3.963 0.798 1.00 0.00 N ATOM 1702 CA GLU A 104 2.975 -4.339 0.177 1.00 0.00 C ATOM 1703 C GLU A 104 3.064 -5.731 -0.437 1.00 0.00 C ATOM 1704 O GLU A 104 2.074 -6.455 -0.486 1.00 0.00 O ATOM 1705 CB GLU A 104 2.561 -3.327 -0.890 1.00 0.00 C ATOM 1706 CG GLU A 104 2.432 -1.906 -0.374 1.00 0.00 C ATOM 1707 CD GLU A 104 1.136 -1.624 0.373 1.00 0.00 C ATOM 1708 OE1 GLU A 104 0.585 -2.532 1.059 1.00 0.00 O ATOM 1709 OE2 GLU A 104 0.670 -0.462 0.314 1.00 0.00 O ATOM 0 H GLU A 104 4.733 -3.197 0.334 1.00 0.00 H new ATOM 0 HA GLU A 104 2.217 -4.346 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.294 -3.345 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.607 -3.635 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.272 -1.695 0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.509 -1.218 -1.216 1.00 0.00 H new ATOM 1716 N GLN A 105 4.253 -6.105 -0.898 1.00 0.00 N ATOM 1717 CA GLN A 105 4.468 -7.447 -1.425 1.00 0.00 C ATOM 1718 C GLN A 105 4.207 -8.486 -0.340 1.00 0.00 C ATOM 1719 O GLN A 105 3.597 -9.523 -0.590 1.00 0.00 O ATOM 1720 CB GLN A 105 5.885 -7.602 -1.986 1.00 0.00 C ATOM 1721 CG GLN A 105 6.129 -6.802 -3.258 1.00 0.00 C ATOM 1722 CD GLN A 105 7.510 -7.028 -3.836 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.465 -6.324 -3.502 1.00 0.00 O ATOM 1724 NE2 GLN A 105 7.625 -8.014 -4.715 1.00 0.00 N ATOM 0 H GLN A 105 5.076 -5.503 -0.917 1.00 0.00 H new ATOM 0 HA GLN A 105 3.766 -7.607 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.603 -7.290 -1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.073 -8.656 -2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.380 -7.073 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.998 -5.741 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.809 -8.573 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.529 -8.213 -5.142 1.00 0.00 H new ATOM 1733 N ARG A 106 4.653 -8.189 0.873 1.00 0.00 N ATOM 1734 CA ARG A 106 4.392 -9.055 2.016 1.00 0.00 C ATOM 1735 C ARG A 106 2.929 -8.974 2.440 1.00 0.00 C ATOM 1736 O ARG A 106 2.364 -9.956 2.926 1.00 0.00 O ATOM 1737 CB ARG A 106 5.318 -8.704 3.178 1.00 0.00 C ATOM 1738 CG ARG A 106 6.577 -9.557 3.211 1.00 0.00 C ATOM 1739 CD ARG A 106 7.631 -8.970 4.132 1.00 0.00 C ATOM 1740 NE ARG A 106 8.336 -7.849 3.511 1.00 0.00 N ATOM 1741 CZ ARG A 106 8.734 -6.760 4.166 1.00 0.00 C ATOM 1742 NH1 ARG A 106 8.414 -6.587 5.444 1.00 0.00 N ATOM 1743 NH2 ARG A 106 9.435 -5.831 3.530 1.00 0.00 N ATOM 0 H ARG A 106 5.198 -7.355 1.092 1.00 0.00 H new ATOM 0 HA ARG A 106 4.595 -10.083 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.599 -7.653 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.777 -8.827 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.325 -10.564 3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.983 -9.645 2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.160 -8.635 5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.348 -9.745 4.403 1.00 0.00 H new ATOM 0 HE ARG A 106 8.536 -7.905 2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.859 -7.291 5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.723 -5.750 5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.667 -5.953 2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.742 -4.995 4.027 1.00 0.00 H new ATOM 1757 N HIS A 107 2.317 -7.802 2.247 1.00 0.00 N ATOM 1758 CA HIS A 107 0.884 -7.636 2.493 1.00 0.00 C ATOM 1759 C HIS A 107 0.100 -8.620 1.623 1.00 0.00 C ATOM 1760 O HIS A 107 -0.791 -9.323 2.100 1.00 0.00 O ATOM 1761 CB HIS A 107 0.428 -6.194 2.184 1.00 0.00 C ATOM 1762 CG HIS A 107 0.705 -5.192 3.275 1.00 0.00 C ATOM 1763 ND1 HIS A 107 -0.019 -4.021 3.459 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.636 -5.209 4.259 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.488 -3.392 4.533 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.500 -4.063 5.048 1.00 0.00 N ATOM 0 H HIS A 107 2.790 -6.959 1.923 1.00 0.00 H new ATOM 0 HA HIS A 107 0.691 -7.836 3.547 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.921 -5.861 1.271 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.643 -6.203 1.983 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.369 -5.987 4.410 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.115 -2.457 4.924 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.066 -3.800 5.855 1.00 0.00 H new ATOM 1773 N VAL A 108 0.464 -8.682 0.347 1.00 0.00 N ATOM 1774 CA VAL A 108 -0.177 -9.589 -0.595 1.00 0.00 C ATOM 1775 C VAL A 108 0.118 -11.046 -0.244 1.00 0.00 C ATOM 1776 O VAL A 108 -0.751 -11.913 -0.372 1.00 0.00 O ATOM 1777 CB VAL A 108 0.273 -9.301 -2.046 1.00 0.00 C ATOM 1778 CG1 VAL A 108 -0.388 -10.258 -3.026 1.00 0.00 C ATOM 1779 CG2 VAL A 108 -0.039 -7.862 -2.422 1.00 0.00 C ATOM 0 H VAL A 108 1.205 -8.111 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.252 -9.421 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 108 1.351 -9.453 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.053 -10.031 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.115 -11.283 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.471 -10.147 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.284 -7.675 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.112 -7.690 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.487 -7.187 -1.747 1.00 0.00 H new ATOM 1789 N GLU A 109 1.341 -11.311 0.206 1.00 0.00 N ATOM 1790 CA GLU A 109 1.755 -12.669 0.553 1.00 0.00 C ATOM 1791 C GLU A 109 0.892 -13.266 1.654 1.00 0.00 C ATOM 1792 O GLU A 109 0.463 -14.419 1.558 1.00 0.00 O ATOM 1793 CB GLU A 109 3.216 -12.706 0.990 1.00 0.00 C ATOM 1794 CG GLU A 109 4.199 -12.552 -0.152 1.00 0.00 C ATOM 1795 CD GLU A 109 5.597 -12.964 0.242 1.00 0.00 C ATOM 1796 OE1 GLU A 109 5.737 -13.965 0.978 1.00 0.00 O ATOM 1797 OE2 GLU A 109 6.562 -12.329 -0.214 1.00 0.00 O ATOM 0 H GLU A 109 2.064 -10.604 0.339 1.00 0.00 H new ATOM 0 HA GLU A 109 1.630 -13.267 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.389 -11.911 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.410 -13.650 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.869 -13.155 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.208 -11.514 -0.485 1.00 0.00 H new ATOM 1804 N GLU A 110 0.646 -12.490 2.705 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.148 -12.973 3.827 1.00 0.00 C ATOM 1806 C GLU A 110 -1.589 -13.239 3.403 1.00 0.00 C ATOM 1807 O GLU A 110 -2.254 -14.123 3.949 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.098 -11.985 4.997 1.00 0.00 C ATOM 1809 CG GLU A 110 1.279 -11.888 5.642 1.00 0.00 C ATOM 1810 CD GLU A 110 1.273 -11.121 6.951 1.00 0.00 C ATOM 1811 OE1 GLU A 110 0.672 -11.613 7.928 1.00 0.00 O ATOM 1812 OE2 GLU A 110 1.898 -10.043 7.024 1.00 0.00 O ATOM 0 H GLU A 110 0.982 -11.532 2.802 1.00 0.00 H new ATOM 0 HA GLU A 110 0.284 -13.916 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.397 -10.998 4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.825 -12.287 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.662 -12.893 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.965 -11.403 4.947 1.00 0.00 H new ATOM 1819 N ILE A 111 -2.062 -12.486 2.417 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.404 -12.680 1.885 1.00 0.00 C ATOM 1821 C ILE A 111 -3.454 -13.902 0.962 1.00 0.00 C ATOM 1822 O ILE A 111 -4.210 -14.844 1.205 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.890 -11.436 1.104 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.909 -10.200 2.012 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -5.269 -11.682 0.506 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.840 -10.322 3.200 1.00 0.00 C ATOM 0 H ILE A 111 -1.535 -11.735 1.970 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.064 -12.841 2.737 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.191 -11.251 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.898 -10.012 2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.203 -9.332 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.593 -10.795 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.224 -12.531 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.979 -11.896 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.796 -9.408 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.860 -10.478 2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.535 -11.168 3.816 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.641 -13.881 -0.088 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.646 -14.946 -1.079 1.00 0.00 C ATOM 1840 C GLU A 112 -1.425 -15.852 -0.956 1.00 0.00 C ATOM 1841 O GLU A 112 -1.359 -16.706 -0.073 1.00 0.00 O ATOM 1842 CB GLU A 112 -2.719 -14.359 -2.489 1.00 0.00 C ATOM 1843 CG GLU A 112 -4.132 -14.207 -3.012 1.00 0.00 C ATOM 1844 CD GLU A 112 -4.791 -15.543 -3.286 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -4.085 -16.484 -3.716 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -6.015 -15.660 -3.089 1.00 0.00 O ATOM 0 H GLU A 112 -1.970 -13.136 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.530 -15.556 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.233 -13.384 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.156 -14.998 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.728 -13.653 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.116 -13.617 -3.929 1.00 0.00 H new ATOM 1853 N LYS A 113 -0.456 -15.654 -1.841 1.00 0.00 N ATOM 1854 CA LYS A 113 0.684 -16.552 -1.936 1.00 0.00 C ATOM 1855 C LYS A 113 1.988 -15.763 -1.980 1.00 0.00 C ATOM 1856 O LYS A 113 2.600 -15.497 -0.946 1.00 0.00 O ATOM 1857 CB LYS A 113 0.560 -17.431 -3.190 1.00 0.00 C ATOM 1858 CG LYS A 113 -0.769 -18.166 -3.303 1.00 0.00 C ATOM 1859 CD LYS A 113 -0.865 -18.938 -4.609 1.00 0.00 C ATOM 1860 CE LYS A 113 -2.189 -19.676 -4.735 1.00 0.00 C ATOM 1861 NZ LYS A 113 -3.345 -18.749 -4.886 1.00 0.00 N ATOM 0 H LYS A 113 -0.438 -14.878 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 113 0.695 -17.190 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.694 -16.807 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.369 -18.162 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.880 -18.852 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -1.589 -17.451 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.752 -18.250 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.044 -19.652 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.148 -20.345 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.340 -20.299 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.231 -19.293 -4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.343 -18.061 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.269 -18.244 -5.792 1.00 0.00 H new ATOM 1875 N LYS A 114 2.392 -15.375 -3.184 1.00 0.00 N ATOM 1876 CA LYS A 114 3.625 -14.624 -3.392 1.00 0.00 C ATOM 1877 C LYS A 114 3.405 -13.584 -4.483 1.00 0.00 C ATOM 1878 O LYS A 114 2.339 -13.543 -5.104 1.00 0.00 O ATOM 1879 CB LYS A 114 4.778 -15.556 -3.805 1.00 0.00 C ATOM 1880 CG LYS A 114 5.134 -16.628 -2.781 1.00 0.00 C ATOM 1881 CD LYS A 114 5.776 -16.042 -1.532 1.00 0.00 C ATOM 1882 CE LYS A 114 7.143 -15.432 -1.819 1.00 0.00 C ATOM 1883 NZ LYS A 114 7.797 -14.934 -0.579 1.00 0.00 N ATOM 0 H LYS A 114 1.876 -15.571 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 114 3.893 -14.137 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.513 -16.044 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.664 -14.951 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.233 -17.174 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.816 -17.348 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.120 -15.279 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.879 -16.823 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.782 -16.178 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.033 -14.611 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.259 -14.023 -0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.081 -14.808 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.509 -15.623 -0.261 1.00 0.00 H new ATOM 1897 N ASN A 115 4.414 -12.752 -4.713 1.00 0.00 N ATOM 1898 CA ASN A 115 4.380 -11.757 -5.781 1.00 0.00 C ATOM 1899 C ASN A 115 5.775 -11.163 -5.968 1.00 0.00 C ATOM 1900 O ASN A 115 5.962 -9.950 -5.765 1.00 0.00 O ATOM 1901 CB ASN A 115 3.324 -10.651 -5.529 1.00 0.00 C ATOM 1902 CG ASN A 115 3.495 -9.867 -4.227 1.00 0.00 C ATOM 1903 OD1 ASN A 115 3.204 -8.671 -4.174 1.00 0.00 O ATOM 1904 ND2 ASN A 115 3.923 -10.533 -3.167 1.00 0.00 N ATOM 1905 OXT ASN A 115 6.699 -11.941 -6.292 1.00 0.00 O ATOM 0 H ASN A 115 5.276 -12.747 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 115 4.076 -12.258 -6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 115 3.351 -9.949 -6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 115 2.335 -11.109 -5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 115 4.021 -10.056 -2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.155 -11.523 -3.246 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 2.997 -2.353 5.127 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.099 0.949 0.890 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.869 -2.872 1.695 1.00 0.00 ZN