USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=19 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 100 HIS HE2 : A 100 HIS NE2 : A 501 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= 1.46 K(o=2.8,f=-4.2) USER MOD Set 1.2: A 81 HIS : no HE2:sc= 1.3 K(o=2.8,f=-9.8!) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0333 (180deg=-0.378) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.11 (180deg=0.472) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.7) USER MOD Single : A 13 GLN : amide:sc= -0.0034 K(o=-0.0034,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 1.22 (180deg=0.973) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc=-0.00408 (180deg=-0.142) USER MOD Single : A 23 LYS NZ :NH3+ 134:sc= 0.12 (180deg=-0.251) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= 1.15 (180deg=1.09) USER MOD Single : A 26 LYS NZ :NH3+ -123:sc= -0.224 (180deg=-0.972) USER MOD Single : A 31 GLN : amide:sc=-0.00468 K(o=-0.0047,f=-1.1) USER MOD Single : A 38 GLN : amide:sc= -0.0807 K(o=-0.081,f=-1.3!) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.0942) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0.443 (180deg=0.198) USER MOD Single : A 46 GLN : amide:sc= -0.77 K(o=-0.77,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc=-0.00317 (180deg=-0.0624) USER MOD Single : A 60 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0.056) USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0.719 (180deg=0.23) USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= 1.3 (180deg=1.12) USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00817) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 173:sc=-0.00608 (180deg=-0.07) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.0363 F(o=-1.3!,f=-0.036) USER MOD Single : A 92 GLN : amide:sc= -0.0715 X(o=-0.072,f=-0.2) USER MOD Single : A 95 SER OG : rot 71:sc= 1.22 USER MOD Single : A 98 GLN : amide:sc= 0.0143 K(o=0.014,f=-0.58) USER MOD Single : A 99 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.34) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -1.03! C(o=-1!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.802 -8.422 -0.875 1.00 0.00 N ATOM 2 CA MET A 1 -22.112 -8.342 -2.179 1.00 0.00 C ATOM 3 C MET A 1 -20.701 -7.794 -1.992 1.00 0.00 C ATOM 4 O MET A 1 -20.507 -6.638 -1.612 1.00 0.00 O ATOM 5 CB MET A 1 -22.911 -7.471 -3.167 1.00 0.00 C ATOM 6 CG MET A 1 -23.061 -6.005 -2.762 1.00 0.00 C ATOM 7 SD MET A 1 -24.014 -5.768 -1.244 1.00 0.00 S ATOM 8 CE MET A 1 -25.634 -6.318 -1.767 1.00 0.00 C ATOM 0 H1 MET A 1 -23.609 -9.074 -0.949 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.140 -8.771 -0.153 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.144 -7.478 -0.605 1.00 0.00 H new ATOM 0 HA MET A 1 -22.042 -9.346 -2.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.425 -7.515 -4.142 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.905 -7.903 -3.287 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.070 -5.570 -2.631 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.544 -5.460 -3.573 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.385 -5.960 -1.063 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.850 -5.923 -2.760 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.656 -7.407 -1.798 1.00 0.00 H new ATOM 20 N ASP A 2 -19.711 -8.636 -2.249 1.00 0.00 N ATOM 21 CA ASP A 2 -18.324 -8.265 -2.020 1.00 0.00 C ATOM 22 C ASP A 2 -17.382 -9.220 -2.738 1.00 0.00 C ATOM 23 O ASP A 2 -17.779 -10.312 -3.149 1.00 0.00 O ATOM 24 CB ASP A 2 -18.006 -8.266 -0.516 1.00 0.00 C ATOM 25 CG ASP A 2 -18.176 -9.632 0.126 1.00 0.00 C ATOM 26 OD1 ASP A 2 -19.324 -10.009 0.445 1.00 0.00 O ATOM 27 OD2 ASP A 2 -17.164 -10.335 0.333 1.00 0.00 O ATOM 0 H ASP A 2 -19.843 -9.579 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.178 -7.260 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.981 -7.926 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -18.656 -7.551 -0.012 1.00 0.00 H new ATOM 32 N GLU A 3 -16.140 -8.789 -2.896 1.00 0.00 N ATOM 33 CA GLU A 3 -15.097 -9.623 -3.463 1.00 0.00 C ATOM 34 C GLU A 3 -13.787 -9.329 -2.748 1.00 0.00 C ATOM 35 O GLU A 3 -13.678 -8.341 -2.023 1.00 0.00 O ATOM 36 CB GLU A 3 -14.941 -9.382 -4.969 1.00 0.00 C ATOM 37 CG GLU A 3 -14.416 -8.002 -5.323 1.00 0.00 C ATOM 38 CD GLU A 3 -13.913 -7.922 -6.749 1.00 0.00 C ATOM 39 OE1 GLU A 3 -12.745 -8.297 -6.992 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.673 -7.484 -7.634 1.00 0.00 O ATOM 0 H GLU A 3 -15.829 -7.853 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.373 -10.669 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.265 -10.133 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.908 -9.526 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.208 -7.267 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.608 -7.738 -4.641 1.00 0.00 H new ATOM 47 N LEU A 4 -12.798 -10.178 -2.950 1.00 0.00 N ATOM 48 CA LEU A 4 -11.527 -10.020 -2.264 1.00 0.00 C ATOM 49 C LEU A 4 -10.435 -9.601 -3.236 1.00 0.00 C ATOM 50 O LEU A 4 -9.440 -8.991 -2.841 1.00 0.00 O ATOM 51 CB LEU A 4 -11.115 -11.321 -1.556 1.00 0.00 C ATOM 52 CG LEU A 4 -11.959 -11.728 -0.337 1.00 0.00 C ATOM 53 CD1 LEU A 4 -12.124 -10.558 0.623 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.315 -12.281 -0.760 1.00 0.00 C ATOM 0 H LEU A 4 -12.847 -10.980 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.655 -9.238 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.150 -12.132 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.077 -11.223 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.426 -12.523 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.725 -10.870 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.144 -10.230 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.622 -9.735 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.887 -12.559 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.860 -11.520 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.170 -13.159 -1.389 1.00 0.00 H new ATOM 66 N ARG A 5 -10.625 -9.913 -4.513 1.00 0.00 N ATOM 67 CA ARG A 5 -9.575 -9.700 -5.498 1.00 0.00 C ATOM 68 C ARG A 5 -9.317 -8.216 -5.747 1.00 0.00 C ATOM 69 O ARG A 5 -8.172 -7.820 -5.944 1.00 0.00 O ATOM 70 CB ARG A 5 -9.868 -10.423 -6.815 1.00 0.00 C ATOM 71 CG ARG A 5 -8.641 -10.510 -7.709 1.00 0.00 C ATOM 72 CD ARG A 5 -8.832 -11.464 -8.875 1.00 0.00 C ATOM 73 NE ARG A 5 -7.558 -11.743 -9.532 1.00 0.00 N ATOM 74 CZ ARG A 5 -7.413 -12.510 -10.611 1.00 0.00 C ATOM 75 NH1 ARG A 5 -8.459 -13.101 -11.172 1.00 0.00 N ATOM 76 NH2 ARG A 5 -6.207 -12.696 -11.124 1.00 0.00 N ATOM 0 H ARG A 5 -11.487 -10.310 -4.886 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.668 -10.131 -5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.232 -11.428 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.665 -9.901 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.404 -9.517 -8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.786 -10.835 -7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.275 -12.395 -8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.530 -11.033 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.719 -11.320 -9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.391 -12.971 -10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.332 -13.686 -11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.396 -12.253 -10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.089 -13.282 -11.950 1.00 0.00 H new ATOM 90 N GLU A 6 -10.365 -7.392 -5.747 1.00 0.00 N ATOM 91 CA GLU A 6 -10.187 -5.954 -5.959 1.00 0.00 C ATOM 92 C GLU A 6 -9.298 -5.349 -4.869 1.00 0.00 C ATOM 93 O GLU A 6 -8.504 -4.448 -5.137 1.00 0.00 O ATOM 94 CB GLU A 6 -11.528 -5.209 -6.034 1.00 0.00 C ATOM 95 CG GLU A 6 -12.276 -5.099 -4.714 1.00 0.00 C ATOM 96 CD GLU A 6 -13.502 -4.217 -4.831 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.355 -2.975 -4.819 1.00 0.00 O ATOM 98 OE2 GLU A 6 -14.616 -4.755 -4.969 1.00 0.00 O ATOM 0 H GLU A 6 -11.331 -7.688 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.693 -5.833 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.348 -4.205 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.168 -5.716 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.575 -6.093 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.610 -4.695 -3.952 1.00 0.00 H new ATOM 105 N LEU A 7 -9.420 -5.862 -3.646 1.00 0.00 N ATOM 106 CA LEU A 7 -8.577 -5.419 -2.538 1.00 0.00 C ATOM 107 C LEU A 7 -7.132 -5.837 -2.773 1.00 0.00 C ATOM 108 O LEU A 7 -6.197 -5.101 -2.460 1.00 0.00 O ATOM 109 CB LEU A 7 -9.091 -5.990 -1.214 1.00 0.00 C ATOM 110 CG LEU A 7 -10.451 -5.454 -0.771 1.00 0.00 C ATOM 111 CD1 LEU A 7 -10.916 -6.159 0.490 1.00 0.00 C ATOM 112 CD2 LEU A 7 -10.380 -3.953 -0.547 1.00 0.00 C ATOM 0 H LEU A 7 -10.095 -6.585 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.619 -4.331 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.155 -7.075 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.360 -5.776 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.175 -5.652 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.886 -5.764 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.003 -7.228 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.193 -5.991 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.357 -3.586 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.643 -3.735 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.089 -3.460 -1.475 1.00 0.00 H new ATOM 124 N LEU A 8 -6.958 -7.019 -3.348 1.00 0.00 N ATOM 125 CA LEU A 8 -5.637 -7.502 -3.718 1.00 0.00 C ATOM 126 C LEU A 8 -5.087 -6.629 -4.848 1.00 0.00 C ATOM 127 O LEU A 8 -3.900 -6.302 -4.879 1.00 0.00 O ATOM 128 CB LEU A 8 -5.720 -8.973 -4.151 1.00 0.00 C ATOM 129 CG LEU A 8 -4.486 -9.839 -3.849 1.00 0.00 C ATOM 130 CD1 LEU A 8 -3.281 -9.387 -4.659 1.00 0.00 C ATOM 131 CD2 LEU A 8 -4.168 -9.808 -2.359 1.00 0.00 C ATOM 0 H LEU A 8 -7.718 -7.662 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.964 -7.440 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.584 -9.425 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.906 -9.004 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.717 -10.864 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.425 -10.020 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.507 -9.466 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.045 -8.351 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.292 -10.426 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.966 -8.782 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.019 -10.194 -1.797 1.00 0.00 H new ATOM 143 N LYS A 9 -5.975 -6.228 -5.756 1.00 0.00 N ATOM 144 CA LYS A 9 -5.613 -5.341 -6.858 1.00 0.00 C ATOM 145 C LYS A 9 -5.123 -3.998 -6.335 1.00 0.00 C ATOM 146 O LYS A 9 -4.233 -3.393 -6.921 1.00 0.00 O ATOM 147 CB LYS A 9 -6.806 -5.117 -7.795 1.00 0.00 C ATOM 148 CG LYS A 9 -7.216 -6.344 -8.588 1.00 0.00 C ATOM 149 CD LYS A 9 -8.471 -6.072 -9.400 1.00 0.00 C ATOM 150 CE LYS A 9 -8.883 -7.285 -10.215 1.00 0.00 C ATOM 151 NZ LYS A 9 -10.161 -7.064 -10.947 1.00 0.00 N ATOM 0 H LYS A 9 -6.956 -6.506 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.809 -5.822 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.658 -4.779 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.561 -4.314 -8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.405 -6.639 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.391 -7.179 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.284 -5.789 -8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.298 -5.227 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.095 -7.526 -10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.989 -8.145 -9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.403 -7.918 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.920 -6.860 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.054 -6.260 -11.598 1.00 0.00 H new ATOM 165 N ALA A 10 -5.711 -3.539 -5.233 1.00 0.00 N ATOM 166 CA ALA A 10 -5.320 -2.272 -4.624 1.00 0.00 C ATOM 167 C ALA A 10 -3.851 -2.301 -4.211 1.00 0.00 C ATOM 168 O ALA A 10 -3.097 -1.372 -4.505 1.00 0.00 O ATOM 169 CB ALA A 10 -6.206 -1.967 -3.424 1.00 0.00 C ATOM 0 H ALA A 10 -6.461 -4.027 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.450 -1.481 -5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.903 -1.019 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.245 -1.901 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.105 -2.763 -2.686 1.00 0.00 H new ATOM 175 N GLU A 11 -3.446 -3.382 -3.556 1.00 0.00 N ATOM 176 CA GLU A 11 -2.058 -3.554 -3.148 1.00 0.00 C ATOM 177 C GLU A 11 -1.158 -3.733 -4.368 1.00 0.00 C ATOM 178 O GLU A 11 -0.052 -3.198 -4.419 1.00 0.00 O ATOM 179 CB GLU A 11 -1.921 -4.752 -2.204 1.00 0.00 C ATOM 180 CG GLU A 11 -2.595 -4.548 -0.850 1.00 0.00 C ATOM 181 CD GLU A 11 -1.884 -3.522 0.013 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.928 -2.326 -0.299 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.264 -3.910 1.029 1.00 0.00 O ATOM 0 H GLU A 11 -4.060 -4.154 -3.296 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.744 -2.656 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.349 -5.632 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.863 -4.959 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.626 -4.232 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.630 -5.500 -0.320 1.00 0.00 H new ATOM 190 N GLN A 12 -1.646 -4.473 -5.359 1.00 0.00 N ATOM 191 CA GLN A 12 -0.904 -4.681 -6.595 1.00 0.00 C ATOM 192 C GLN A 12 -0.707 -3.365 -7.336 1.00 0.00 C ATOM 193 O GLN A 12 0.363 -3.105 -7.887 1.00 0.00 O ATOM 194 CB GLN A 12 -1.637 -5.679 -7.490 1.00 0.00 C ATOM 195 CG GLN A 12 -1.645 -7.095 -6.945 1.00 0.00 C ATOM 196 CD GLN A 12 -0.251 -7.681 -6.816 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.655 -7.338 -7.577 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.071 -8.572 -5.857 1.00 0.00 N ATOM 0 H GLN A 12 -2.553 -4.938 -5.329 1.00 0.00 H new ATOM 0 HA GLN A 12 0.076 -5.084 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.666 -5.345 -7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.171 -5.681 -8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.129 -7.101 -5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.242 -7.729 -7.601 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.847 -8.829 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.844 -9.003 -5.726 1.00 0.00 H new ATOM 207 N GLN A 13 -1.748 -2.542 -7.341 1.00 0.00 N ATOM 208 CA GLN A 13 -1.687 -1.228 -7.958 1.00 0.00 C ATOM 209 C GLN A 13 -0.782 -0.317 -7.147 1.00 0.00 C ATOM 210 O GLN A 13 -0.044 0.489 -7.705 1.00 0.00 O ATOM 211 CB GLN A 13 -3.086 -0.624 -8.068 1.00 0.00 C ATOM 212 CG GLN A 13 -3.125 0.677 -8.855 1.00 0.00 C ATOM 213 CD GLN A 13 -4.538 1.123 -9.180 1.00 0.00 C ATOM 214 OE1 GLN A 13 -5.434 0.299 -9.370 1.00 0.00 O ATOM 215 NE2 GLN A 13 -4.746 2.427 -9.248 1.00 0.00 N ATOM 0 H GLN A 13 -2.650 -2.766 -6.921 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.277 -1.331 -8.963 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.749 -1.347 -8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.476 -0.445 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.625 1.458 -8.283 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.565 0.553 -9.782 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.976 3.076 -9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.676 2.784 -9.465 1.00 0.00 H new ATOM 224 N GLY A 14 -0.839 -0.458 -5.832 1.00 0.00 N ATOM 225 CA GLY A 14 0.061 0.279 -4.966 1.00 0.00 C ATOM 226 C GLY A 14 1.514 -0.015 -5.290 1.00 0.00 C ATOM 227 O GLY A 14 2.323 0.901 -5.426 1.00 0.00 O ATOM 0 H GLY A 14 -1.494 -1.071 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.127 1.348 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.140 0.020 -3.926 1.00 0.00 H new ATOM 231 N ILE A 15 1.831 -1.298 -5.447 1.00 0.00 N ATOM 232 CA ILE A 15 3.171 -1.716 -5.847 1.00 0.00 C ATOM 233 C ILE A 15 3.494 -1.193 -7.246 1.00 0.00 C ATOM 234 O ILE A 15 4.614 -0.757 -7.514 1.00 0.00 O ATOM 235 CB ILE A 15 3.317 -3.258 -5.820 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.068 -3.793 -4.405 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.698 -3.672 -6.307 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.102 -5.303 -4.311 1.00 0.00 C ATOM 0 H ILE A 15 1.176 -2.067 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 15 3.875 -1.294 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 15 2.572 -3.687 -6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.819 -3.379 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.098 -3.438 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.782 -4.758 -6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.844 -3.321 -7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.458 -3.234 -5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.918 -5.608 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.333 -5.725 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.080 -5.665 -4.627 1.00 0.00 H new ATOM 250 N LYS A 16 2.496 -1.232 -8.123 1.00 0.00 N ATOM 251 CA LYS A 16 2.619 -0.686 -9.472 1.00 0.00 C ATOM 252 C LYS A 16 3.049 0.775 -9.429 1.00 0.00 C ATOM 253 O LYS A 16 3.977 1.181 -10.129 1.00 0.00 O ATOM 254 CB LYS A 16 1.275 -0.812 -10.195 1.00 0.00 C ATOM 255 CG LYS A 16 1.130 0.089 -11.413 1.00 0.00 C ATOM 256 CD LYS A 16 -0.250 -0.044 -12.037 1.00 0.00 C ATOM 257 CE LYS A 16 -0.544 1.093 -13.004 1.00 0.00 C ATOM 258 NZ LYS A 16 0.515 1.240 -14.034 1.00 0.00 N ATOM 0 H LYS A 16 1.583 -1.640 -7.921 1.00 0.00 H new ATOM 0 HA LYS A 16 3.381 -1.250 -10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.139 -1.848 -10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.475 -0.583 -9.491 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.302 1.126 -11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.891 -0.167 -12.150 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.321 -0.996 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.005 -0.057 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.502 0.914 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.640 2.025 -12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.226 1.957 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.402 1.537 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.660 0.329 -14.515 1.00 0.00 H new ATOM 272 N ILE A 17 2.372 1.551 -8.595 1.00 0.00 N ATOM 273 CA ILE A 17 2.701 2.959 -8.428 1.00 0.00 C ATOM 274 C ILE A 17 4.117 3.102 -7.887 1.00 0.00 C ATOM 275 O ILE A 17 4.904 3.897 -8.392 1.00 0.00 O ATOM 276 CB ILE A 17 1.718 3.674 -7.475 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.277 3.480 -7.949 1.00 0.00 C ATOM 278 CG2 ILE A 17 2.049 5.160 -7.392 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.760 3.966 -6.957 1.00 0.00 C ATOM 0 H ILE A 17 1.591 1.229 -8.023 1.00 0.00 H new ATOM 0 HA ILE A 17 2.624 3.428 -9.409 1.00 0.00 H new ATOM 0 HB ILE A 17 1.819 3.236 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.140 4.008 -8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.109 2.422 -8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.348 5.652 -6.717 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.064 5.286 -7.016 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.971 5.606 -8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.758 3.796 -7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.650 3.421 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.619 5.031 -6.776 1.00 0.00 H new ATOM 291 N LEU A 18 4.441 2.302 -6.875 1.00 0.00 N ATOM 292 CA LEU A 18 5.766 2.325 -6.266 1.00 0.00 C ATOM 293 C LEU A 18 6.852 2.041 -7.307 1.00 0.00 C ATOM 294 O LEU A 18 7.901 2.680 -7.303 1.00 0.00 O ATOM 295 CB LEU A 18 5.852 1.303 -5.127 1.00 0.00 C ATOM 296 CG LEU A 18 4.920 1.557 -3.938 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.994 0.402 -2.950 1.00 0.00 C ATOM 298 CD2 LEU A 18 5.270 2.869 -3.250 1.00 0.00 C ATOM 0 H LEU A 18 3.800 1.627 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 18 5.930 3.323 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.634 0.315 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.879 1.278 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 18 3.899 1.629 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.326 0.598 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.693 -0.521 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.016 0.301 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.596 3.030 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.298 2.828 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.167 3.690 -3.959 1.00 0.00 H new ATOM 310 N LYS A 19 6.587 1.094 -8.204 1.00 0.00 N ATOM 311 CA LYS A 19 7.529 0.756 -9.269 1.00 0.00 C ATOM 312 C LYS A 19 7.748 1.939 -10.210 1.00 0.00 C ATOM 313 O LYS A 19 8.860 2.165 -10.690 1.00 0.00 O ATOM 314 CB LYS A 19 7.038 -0.453 -10.068 1.00 0.00 C ATOM 315 CG LYS A 19 7.177 -1.779 -9.335 1.00 0.00 C ATOM 316 CD LYS A 19 8.628 -2.065 -8.983 1.00 0.00 C ATOM 317 CE LYS A 19 8.821 -3.495 -8.501 1.00 0.00 C ATOM 318 NZ LYS A 19 8.667 -4.481 -9.607 1.00 0.00 N ATOM 0 H LYS A 19 5.727 0.546 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 19 8.479 0.507 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.990 -0.302 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.594 -0.507 -11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.577 -1.759 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.786 -2.584 -9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.256 -1.888 -9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.957 -1.373 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.812 -3.598 -8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.097 -3.714 -7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.033 -5.405 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.661 -4.571 -9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.200 -4.156 -10.439 1.00 0.00 H new ATOM 332 N GLU A 20 6.685 2.685 -10.476 1.00 0.00 N ATOM 333 CA GLU A 20 6.781 3.870 -11.315 1.00 0.00 C ATOM 334 C GLU A 20 7.480 4.998 -10.558 1.00 0.00 C ATOM 335 O GLU A 20 8.238 5.773 -11.142 1.00 0.00 O ATOM 336 CB GLU A 20 5.389 4.299 -11.793 1.00 0.00 C ATOM 337 CG GLU A 20 4.766 3.312 -12.772 1.00 0.00 C ATOM 338 CD GLU A 20 3.354 3.682 -13.178 1.00 0.00 C ATOM 339 OE1 GLU A 20 3.136 4.836 -13.605 1.00 0.00 O ATOM 340 OE2 GLU A 20 2.460 2.809 -13.096 1.00 0.00 O ATOM 0 H GLU A 20 5.748 2.491 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 20 7.379 3.634 -12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.733 4.410 -10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.459 5.278 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.390 3.253 -13.664 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.759 2.319 -12.322 1.00 0.00 H new ATOM 347 N VAL A 21 7.242 5.067 -9.252 1.00 0.00 N ATOM 348 CA VAL A 21 7.927 6.031 -8.398 1.00 0.00 C ATOM 349 C VAL A 21 9.428 5.763 -8.390 1.00 0.00 C ATOM 350 O VAL A 21 10.223 6.689 -8.470 1.00 0.00 O ATOM 351 CB VAL A 21 7.403 5.990 -6.940 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.181 6.953 -6.057 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.919 6.313 -6.884 1.00 0.00 C ATOM 0 H VAL A 21 6.579 4.466 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 21 7.725 7.019 -8.811 1.00 0.00 H new ATOM 0 HB VAL A 21 7.550 4.977 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.795 6.906 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.235 6.677 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.071 7.968 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.578 6.277 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.748 7.311 -7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.365 5.583 -7.474 1.00 0.00 H new ATOM 363 N LEU A 22 9.808 4.490 -8.310 1.00 0.00 N ATOM 364 CA LEU A 22 11.221 4.103 -8.283 1.00 0.00 C ATOM 365 C LEU A 22 11.976 4.653 -9.491 1.00 0.00 C ATOM 366 O LEU A 22 13.114 5.112 -9.367 1.00 0.00 O ATOM 367 CB LEU A 22 11.364 2.578 -8.237 1.00 0.00 C ATOM 368 CG LEU A 22 10.849 1.913 -6.958 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.982 0.402 -7.050 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.598 2.440 -5.742 1.00 0.00 C ATOM 0 H LEU A 22 9.158 3.706 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 22 11.657 4.532 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.831 2.153 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.417 2.324 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 22 9.793 2.159 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.611 -0.053 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.401 0.036 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.030 0.137 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.218 1.956 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.661 2.225 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.452 3.517 -5.663 1.00 0.00 H new ATOM 382 N LYS A 23 11.337 4.616 -10.652 1.00 0.00 N ATOM 383 CA LYS A 23 11.942 5.130 -11.873 1.00 0.00 C ATOM 384 C LYS A 23 12.077 6.647 -11.800 1.00 0.00 C ATOM 385 O LYS A 23 13.106 7.217 -12.165 1.00 0.00 O ATOM 386 CB LYS A 23 11.092 4.755 -13.089 1.00 0.00 C ATOM 387 CG LYS A 23 10.889 3.260 -13.267 1.00 0.00 C ATOM 388 CD LYS A 23 9.979 2.964 -14.448 1.00 0.00 C ATOM 389 CE LYS A 23 9.766 1.470 -14.638 1.00 0.00 C ATOM 390 NZ LYS A 23 9.176 0.836 -13.431 1.00 0.00 N ATOM 0 H LYS A 23 10.399 4.235 -10.774 1.00 0.00 H new ATOM 0 HA LYS A 23 12.932 4.685 -11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.117 5.235 -12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.564 5.156 -13.986 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.854 2.775 -13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.459 2.838 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.016 3.452 -14.296 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.411 3.388 -15.355 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.111 1.303 -15.493 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.719 0.994 -14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.397 0.208 -13.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.905 0.282 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.812 1.573 -12.794 1.00 0.00 H new ATOM 404 N LYS A 24 11.033 7.285 -11.299 1.00 0.00 N ATOM 405 CA LYS A 24 10.940 8.737 -11.291 1.00 0.00 C ATOM 406 C LYS A 24 11.671 9.353 -10.098 1.00 0.00 C ATOM 407 O LYS A 24 11.990 10.542 -10.104 1.00 0.00 O ATOM 408 CB LYS A 24 9.467 9.140 -11.326 1.00 0.00 C ATOM 409 CG LYS A 24 8.818 8.800 -12.660 1.00 0.00 C ATOM 410 CD LYS A 24 7.348 9.179 -12.713 1.00 0.00 C ATOM 411 CE LYS A 24 6.743 8.808 -14.058 1.00 0.00 C ATOM 412 NZ LYS A 24 5.315 9.200 -14.166 1.00 0.00 N ATOM 0 H LYS A 24 10.228 6.814 -10.887 1.00 0.00 H new ATOM 0 HA LYS A 24 11.438 9.128 -12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.933 8.633 -10.522 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.379 10.211 -11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.350 9.315 -13.460 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.920 7.731 -12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.808 8.671 -11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.237 10.250 -12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.310 9.291 -14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.834 7.732 -14.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.001 9.099 -15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.739 8.587 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.203 10.190 -13.867 1.00 0.00 H new ATOM 426 N ALA A 25 11.942 8.543 -9.083 1.00 0.00 N ATOM 427 CA ALA A 25 12.726 8.983 -7.933 1.00 0.00 C ATOM 428 C ALA A 25 14.172 9.230 -8.344 1.00 0.00 C ATOM 429 O ALA A 25 14.854 10.087 -7.781 1.00 0.00 O ATOM 430 CB ALA A 25 12.657 7.956 -6.812 1.00 0.00 C ATOM 0 H ALA A 25 11.630 7.573 -9.032 1.00 0.00 H new ATOM 0 HA ALA A 25 12.305 9.918 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.248 8.303 -5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.620 7.824 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.054 7.004 -7.166 1.00 0.00 H new ATOM 436 N LYS A 26 14.633 8.464 -9.328 1.00 0.00 N ATOM 437 CA LYS A 26 15.964 8.655 -9.888 1.00 0.00 C ATOM 438 C LYS A 26 16.021 9.956 -10.675 1.00 0.00 C ATOM 439 O LYS A 26 17.070 10.594 -10.774 1.00 0.00 O ATOM 440 CB LYS A 26 16.340 7.487 -10.803 1.00 0.00 C ATOM 441 CG LYS A 26 16.529 6.168 -10.072 1.00 0.00 C ATOM 442 CD LYS A 26 16.950 5.047 -11.016 1.00 0.00 C ATOM 443 CE LYS A 26 18.225 5.389 -11.782 1.00 0.00 C ATOM 444 NZ LYS A 26 17.943 6.014 -13.105 1.00 0.00 N ATOM 0 H LYS A 26 14.102 7.704 -9.754 1.00 0.00 H new ATOM 0 HA LYS A 26 16.676 8.699 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.563 7.365 -11.558 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.261 7.734 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.283 6.289 -9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.599 5.893 -9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.106 4.132 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.145 4.848 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.833 6.068 -11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.811 4.482 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.391 5.452 -13.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.915 6.045 -13.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.325 6.981 -13.121 1.00 0.00 H new ATOM 458 N GLU A 27 14.883 10.343 -11.229 1.00 0.00 N ATOM 459 CA GLU A 27 14.794 11.553 -12.026 1.00 0.00 C ATOM 460 C GLU A 27 14.663 12.775 -11.120 1.00 0.00 C ATOM 461 O GLU A 27 15.191 13.847 -11.419 1.00 0.00 O ATOM 462 CB GLU A 27 13.603 11.465 -12.979 1.00 0.00 C ATOM 463 CG GLU A 27 13.579 10.186 -13.806 1.00 0.00 C ATOM 464 CD GLU A 27 14.879 9.936 -14.549 1.00 0.00 C ATOM 465 OE1 GLU A 27 15.076 10.533 -15.622 1.00 0.00 O ATOM 466 OE2 GLU A 27 15.708 9.139 -14.055 1.00 0.00 O ATOM 0 H GLU A 27 14.004 9.833 -11.140 1.00 0.00 H new ATOM 0 HA GLU A 27 15.706 11.656 -12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.681 11.532 -12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.622 12.323 -13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.373 9.340 -13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.761 10.239 -14.524 1.00 0.00 H new ATOM 473 N GLY A 28 13.954 12.597 -10.010 1.00 0.00 N ATOM 474 CA GLY A 28 13.818 13.655 -9.029 1.00 0.00 C ATOM 475 C GLY A 28 12.903 14.766 -9.495 1.00 0.00 C ATOM 476 O GLY A 28 13.163 15.942 -9.238 1.00 0.00 O ATOM 0 H GLY A 28 13.468 11.732 -9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.431 13.236 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.802 14.068 -8.807 1.00 0.00 H new ATOM 480 N ASP A 29 11.830 14.398 -10.178 1.00 0.00 N ATOM 481 CA ASP A 29 10.877 15.382 -10.678 1.00 0.00 C ATOM 482 C ASP A 29 9.699 15.511 -9.727 1.00 0.00 C ATOM 483 O ASP A 29 9.017 14.529 -9.440 1.00 0.00 O ATOM 484 CB ASP A 29 10.375 14.999 -12.068 1.00 0.00 C ATOM 485 CG ASP A 29 9.466 16.062 -12.646 1.00 0.00 C ATOM 486 OD1 ASP A 29 9.976 16.987 -13.310 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.241 15.981 -12.436 1.00 0.00 O ATOM 0 H ASP A 29 11.596 13.430 -10.399 1.00 0.00 H new ATOM 0 HA ASP A 29 11.391 16.341 -10.744 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.225 14.846 -12.733 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.839 14.052 -12.013 1.00 0.00 H new ATOM 492 N GLU A 30 9.461 16.725 -9.248 1.00 0.00 N ATOM 493 CA GLU A 30 8.405 16.975 -8.271 1.00 0.00 C ATOM 494 C GLU A 30 7.027 16.703 -8.849 1.00 0.00 C ATOM 495 O GLU A 30 6.177 16.130 -8.177 1.00 0.00 O ATOM 496 CB GLU A 30 8.447 18.420 -7.787 1.00 0.00 C ATOM 497 CG GLU A 30 9.743 18.821 -7.115 1.00 0.00 C ATOM 498 CD GLU A 30 9.717 20.268 -6.684 1.00 0.00 C ATOM 499 OE1 GLU A 30 10.116 21.136 -7.487 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.280 20.547 -5.548 1.00 0.00 O ATOM 0 H GLU A 30 9.986 17.556 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 30 8.583 16.295 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.275 19.080 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.626 18.580 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.916 18.185 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.575 18.659 -7.800 1.00 0.00 H new ATOM 507 N GLN A 31 6.812 17.114 -10.091 1.00 0.00 N ATOM 508 CA GLN A 31 5.499 17.034 -10.706 1.00 0.00 C ATOM 509 C GLN A 31 5.061 15.582 -10.834 1.00 0.00 C ATOM 510 O GLN A 31 3.905 15.239 -10.567 1.00 0.00 O ATOM 511 CB GLN A 31 5.522 17.702 -12.081 1.00 0.00 C ATOM 512 CG GLN A 31 6.185 19.072 -12.088 1.00 0.00 C ATOM 513 CD GLN A 31 5.593 20.027 -11.068 1.00 0.00 C ATOM 514 OE1 GLN A 31 6.053 20.096 -9.927 1.00 0.00 O ATOM 515 NE2 GLN A 31 4.579 20.778 -11.470 1.00 0.00 N ATOM 0 H GLN A 31 7.535 17.508 -10.693 1.00 0.00 H new ATOM 0 HA GLN A 31 4.784 17.557 -10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.046 17.052 -12.782 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.499 17.802 -12.443 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.250 18.954 -11.890 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.092 19.509 -13.082 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.227 20.691 -12.423 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.150 21.443 -10.826 1.00 0.00 H new ATOM 524 N GLU A 32 5.996 14.735 -11.237 1.00 0.00 N ATOM 525 CA GLU A 32 5.746 13.307 -11.334 1.00 0.00 C ATOM 526 C GLU A 32 5.629 12.688 -9.939 1.00 0.00 C ATOM 527 O GLU A 32 4.701 11.926 -9.663 1.00 0.00 O ATOM 528 CB GLU A 32 6.866 12.621 -12.121 1.00 0.00 C ATOM 529 CG GLU A 32 7.030 13.133 -13.547 1.00 0.00 C ATOM 530 CD GLU A 32 5.803 12.900 -14.409 1.00 0.00 C ATOM 531 OE1 GLU A 32 5.233 11.791 -14.355 1.00 0.00 O ATOM 532 OE2 GLU A 32 5.424 13.811 -15.171 1.00 0.00 O ATOM 0 H GLU A 32 6.940 15.015 -11.503 1.00 0.00 H new ATOM 0 HA GLU A 32 4.804 13.159 -11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.806 12.758 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.670 11.549 -12.152 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.250 14.200 -13.520 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.888 12.642 -14.006 1.00 0.00 H new ATOM 539 N LEU A 33 6.569 13.041 -9.062 1.00 0.00 N ATOM 540 CA LEU A 33 6.612 12.499 -7.702 1.00 0.00 C ATOM 541 C LEU A 33 5.352 12.836 -6.913 1.00 0.00 C ATOM 542 O LEU A 33 4.781 11.970 -6.256 1.00 0.00 O ATOM 543 CB LEU A 33 7.846 13.021 -6.956 1.00 0.00 C ATOM 544 CG LEU A 33 9.134 12.224 -7.184 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.324 12.966 -6.596 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.025 10.833 -6.566 1.00 0.00 C ATOM 0 H LEU A 33 7.316 13.704 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 33 6.672 11.414 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.020 14.055 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.628 13.030 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 33 9.282 12.113 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.233 12.388 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.419 13.940 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.175 13.102 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.951 10.284 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.853 10.924 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.194 10.296 -7.023 1.00 0.00 H new ATOM 558 N ALA A 34 4.918 14.088 -6.987 1.00 0.00 N ATOM 559 CA ALA A 34 3.748 14.541 -6.243 1.00 0.00 C ATOM 560 C ALA A 34 2.492 13.816 -6.706 1.00 0.00 C ATOM 561 O ALA A 34 1.693 13.361 -5.886 1.00 0.00 O ATOM 562 CB ALA A 34 3.574 16.044 -6.382 1.00 0.00 C ATOM 0 H ALA A 34 5.360 14.810 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 34 3.908 14.306 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.696 16.362 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.457 16.550 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.444 16.299 -7.434 1.00 0.00 H new ATOM 568 N ARG A 35 2.327 13.703 -8.020 1.00 0.00 N ATOM 569 CA ARG A 35 1.183 13.014 -8.593 1.00 0.00 C ATOM 570 C ARG A 35 1.148 11.565 -8.124 1.00 0.00 C ATOM 571 O ARG A 35 0.100 11.047 -7.737 1.00 0.00 O ATOM 572 CB ARG A 35 1.262 13.059 -10.115 1.00 0.00 C ATOM 573 CG ARG A 35 -0.080 12.878 -10.790 1.00 0.00 C ATOM 574 CD ARG A 35 0.072 12.689 -12.290 1.00 0.00 C ATOM 575 NE ARG A 35 0.905 13.729 -12.895 1.00 0.00 N ATOM 576 CZ ARG A 35 1.618 13.557 -14.009 1.00 0.00 C ATOM 577 NH1 ARG A 35 1.563 12.406 -14.671 1.00 0.00 N ATOM 578 NH2 ARG A 35 2.370 14.543 -14.476 1.00 0.00 N ATOM 0 H ARG A 35 2.976 14.083 -8.709 1.00 0.00 H new ATOM 0 HA ARG A 35 0.272 13.513 -8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.689 14.014 -10.422 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.942 12.280 -10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.590 12.014 -10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.707 13.747 -10.594 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.512 11.712 -12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.913 12.696 -12.757 1.00 0.00 H new ATOM 0 HE ARG A 35 0.943 14.640 -12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.973 11.648 -14.328 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.111 12.281 -15.522 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.404 15.435 -13.983 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.915 14.409 -15.328 1.00 0.00 H new ATOM 592 N LEU A 36 2.310 10.924 -8.147 1.00 0.00 N ATOM 593 CA LEU A 36 2.436 9.539 -7.720 1.00 0.00 C ATOM 594 C LEU A 36 2.187 9.407 -6.225 1.00 0.00 C ATOM 595 O LEU A 36 1.455 8.524 -5.789 1.00 0.00 O ATOM 596 CB LEU A 36 3.825 9.004 -8.072 1.00 0.00 C ATOM 597 CG LEU A 36 4.075 8.799 -9.564 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.511 8.368 -9.808 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.102 7.771 -10.118 1.00 0.00 C ATOM 0 H LEU A 36 3.184 11.347 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 36 1.684 8.950 -8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.574 9.695 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.973 8.053 -7.560 1.00 0.00 H new ATOM 0 HG LEU A 36 3.913 9.744 -10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.672 8.226 -10.877 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.189 9.137 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.704 7.431 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.288 7.631 -11.183 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.239 6.823 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.080 8.121 -9.971 1.00 0.00 H new ATOM 611 N ASN A 37 2.784 10.304 -5.451 1.00 0.00 N ATOM 612 CA ASN A 37 2.632 10.295 -3.997 1.00 0.00 C ATOM 613 C ASN A 37 1.162 10.433 -3.620 1.00 0.00 C ATOM 614 O ASN A 37 0.665 9.733 -2.738 1.00 0.00 O ATOM 615 CB ASN A 37 3.455 11.430 -3.371 1.00 0.00 C ATOM 616 CG ASN A 37 3.530 11.347 -1.856 1.00 0.00 C ATOM 617 OD1 ASN A 37 4.400 10.671 -1.307 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.641 12.050 -1.167 1.00 0.00 N ATOM 0 H ASN A 37 3.381 11.051 -5.805 1.00 0.00 H new ATOM 0 HA ASN A 37 3.001 9.345 -3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.465 11.407 -3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.018 12.387 -3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.664 12.042 -0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.934 12.599 -1.657 1.00 0.00 H new ATOM 625 N GLN A 38 0.468 11.332 -4.311 1.00 0.00 N ATOM 626 CA GLN A 38 -0.946 11.529 -4.114 1.00 0.00 C ATOM 627 C GLN A 38 -1.725 10.275 -4.501 1.00 0.00 C ATOM 628 O GLN A 38 -2.664 9.878 -3.811 1.00 0.00 O ATOM 629 CB GLN A 38 -1.410 12.704 -4.964 1.00 0.00 C ATOM 630 CG GLN A 38 -2.785 13.182 -4.594 1.00 0.00 C ATOM 631 CD GLN A 38 -3.422 14.033 -5.673 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.174 13.835 -6.863 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.238 14.991 -5.271 1.00 0.00 N ATOM 0 H GLN A 38 0.879 11.939 -5.020 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.130 11.736 -3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.703 13.526 -4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.402 12.413 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.422 12.321 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.728 13.758 -3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.418 15.123 -4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.688 15.598 -5.956 1.00 0.00 H new ATOM 642 N GLU A 39 -1.328 9.664 -5.615 1.00 0.00 N ATOM 643 CA GLU A 39 -1.981 8.458 -6.113 1.00 0.00 C ATOM 644 C GLU A 39 -1.877 7.336 -5.086 1.00 0.00 C ATOM 645 O GLU A 39 -2.845 6.617 -4.839 1.00 0.00 O ATOM 646 CB GLU A 39 -1.342 8.021 -7.435 1.00 0.00 C ATOM 647 CG GLU A 39 -2.140 6.970 -8.191 1.00 0.00 C ATOM 648 CD GLU A 39 -3.431 7.516 -8.766 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.417 7.650 -8.015 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.458 7.825 -9.974 1.00 0.00 O ATOM 0 H GLU A 39 -0.552 9.988 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.035 8.678 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.217 8.896 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.345 7.629 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.529 6.568 -8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.368 6.141 -7.521 1.00 0.00 H new ATOM 657 N ILE A 40 -0.700 7.206 -4.485 1.00 0.00 N ATOM 658 CA ILE A 40 -0.472 6.207 -3.448 1.00 0.00 C ATOM 659 C ILE A 40 -1.444 6.415 -2.288 1.00 0.00 C ATOM 660 O ILE A 40 -2.128 5.484 -1.866 1.00 0.00 O ATOM 661 CB ILE A 40 0.980 6.269 -2.922 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.965 6.033 -4.067 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.200 5.247 -1.816 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.417 6.180 -3.670 1.00 0.00 C ATOM 0 H ILE A 40 0.114 7.782 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.639 5.225 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 40 1.153 7.262 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.808 5.031 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.746 6.735 -4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.229 5.310 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.519 5.452 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.010 4.246 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.052 5.997 -4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.592 7.190 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.655 5.459 -2.888 1.00 0.00 H new ATOM 676 N VAL A 41 -1.526 7.654 -1.813 1.00 0.00 N ATOM 677 CA VAL A 41 -2.438 8.006 -0.730 1.00 0.00 C ATOM 678 C VAL A 41 -3.880 7.649 -1.092 1.00 0.00 C ATOM 679 O VAL A 41 -4.608 7.073 -0.284 1.00 0.00 O ATOM 680 CB VAL A 41 -2.345 9.512 -0.386 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.348 9.890 0.691 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.934 9.871 0.059 1.00 0.00 C ATOM 0 H VAL A 41 -0.969 8.434 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.140 7.429 0.146 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.584 10.077 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.260 10.954 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.357 9.674 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.147 9.313 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.887 10.934 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.672 9.289 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.231 9.647 -0.744 1.00 0.00 H new ATOM 692 N LYS A 42 -4.277 7.978 -2.317 1.00 0.00 N ATOM 693 CA LYS A 42 -5.621 7.676 -2.802 1.00 0.00 C ATOM 694 C LYS A 42 -5.884 6.172 -2.804 1.00 0.00 C ATOM 695 O LYS A 42 -6.921 5.714 -2.323 1.00 0.00 O ATOM 696 CB LYS A 42 -5.819 8.232 -4.218 1.00 0.00 C ATOM 697 CG LYS A 42 -6.019 9.741 -4.278 1.00 0.00 C ATOM 698 CD LYS A 42 -6.157 10.224 -5.716 1.00 0.00 C ATOM 699 CE LYS A 42 -4.807 10.301 -6.409 1.00 0.00 C ATOM 700 NZ LYS A 42 -4.931 10.227 -7.888 1.00 0.00 N ATOM 0 H LYS A 42 -3.684 8.456 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.330 8.152 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.952 7.968 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.683 7.745 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.910 10.015 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.175 10.241 -3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.812 9.549 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.630 11.206 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.312 11.232 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.173 9.487 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.034 10.517 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.154 9.251 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.692 10.861 -8.205 1.00 0.00 H new ATOM 714 N ALA A 43 -4.936 5.413 -3.333 1.00 0.00 N ATOM 715 CA ALA A 43 -5.096 3.972 -3.467 1.00 0.00 C ATOM 716 C ALA A 43 -5.132 3.280 -2.109 1.00 0.00 C ATOM 717 O ALA A 43 -6.004 2.450 -1.849 1.00 0.00 O ATOM 718 CB ALA A 43 -3.980 3.396 -4.321 1.00 0.00 C ATOM 0 H ALA A 43 -4.045 5.772 -3.677 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.053 3.790 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.112 2.318 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.008 3.851 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.018 3.605 -3.853 1.00 0.00 H new ATOM 724 N GLU A 44 -4.196 3.635 -1.241 1.00 0.00 N ATOM 725 CA GLU A 44 -4.090 2.990 0.056 1.00 0.00 C ATOM 726 C GLU A 44 -5.291 3.322 0.938 1.00 0.00 C ATOM 727 O GLU A 44 -5.820 2.447 1.621 1.00 0.00 O ATOM 728 CB GLU A 44 -2.786 3.384 0.751 1.00 0.00 C ATOM 729 CG GLU A 44 -1.544 3.016 -0.045 1.00 0.00 C ATOM 730 CD GLU A 44 -0.261 3.235 0.727 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.055 4.387 1.063 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.444 2.235 1.003 1.00 0.00 O ATOM 0 H GLU A 44 -3.502 4.363 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.082 1.912 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.789 4.459 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.741 2.898 1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.608 1.970 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.517 3.608 -0.960 1.00 0.00 H new ATOM 739 N LYS A 45 -5.741 4.576 0.909 1.00 0.00 N ATOM 740 CA LYS A 45 -6.900 4.973 1.707 1.00 0.00 C ATOM 741 C LYS A 45 -8.165 4.289 1.214 1.00 0.00 C ATOM 742 O LYS A 45 -9.067 4.005 2.003 1.00 0.00 O ATOM 743 CB LYS A 45 -7.095 6.490 1.711 1.00 0.00 C ATOM 744 CG LYS A 45 -6.105 7.216 2.602 1.00 0.00 C ATOM 745 CD LYS A 45 -6.511 8.657 2.847 1.00 0.00 C ATOM 746 CE LYS A 45 -5.578 9.328 3.842 1.00 0.00 C ATOM 747 NZ LYS A 45 -5.593 8.648 5.166 1.00 0.00 N ATOM 0 H LYS A 45 -5.329 5.324 0.351 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.703 4.654 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.000 6.865 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.108 6.719 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.026 6.695 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.117 7.191 2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.499 9.206 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.534 8.691 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.563 9.326 3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.870 10.371 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.038 9.203 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.573 8.566 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.178 7.699 5.073 1.00 0.00 H new ATOM 761 N GLN A 46 -8.232 4.036 -0.087 1.00 0.00 N ATOM 762 CA GLN A 46 -9.349 3.297 -0.661 1.00 0.00 C ATOM 763 C GLN A 46 -9.396 1.903 -0.049 1.00 0.00 C ATOM 764 O GLN A 46 -10.453 1.437 0.382 1.00 0.00 O ATOM 765 CB GLN A 46 -9.206 3.223 -2.191 1.00 0.00 C ATOM 766 CG GLN A 46 -10.388 2.580 -2.912 1.00 0.00 C ATOM 767 CD GLN A 46 -10.349 1.061 -2.905 1.00 0.00 C ATOM 768 OE1 GLN A 46 -9.280 0.454 -2.888 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.517 0.438 -2.923 1.00 0.00 N ATOM 0 H GLN A 46 -7.528 4.331 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.283 3.811 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.067 4.232 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.303 2.662 -2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.314 2.914 -2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.408 2.930 -3.944 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.383 0.977 -2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.551 -0.581 -2.923 1.00 0.00 H new ATOM 778 N GLY A 47 -8.235 1.263 0.020 1.00 0.00 N ATOM 779 CA GLY A 47 -8.147 -0.053 0.617 1.00 0.00 C ATOM 780 C GLY A 47 -8.469 -0.027 2.099 1.00 0.00 C ATOM 781 O GLY A 47 -9.268 -0.833 2.578 1.00 0.00 O ATOM 0 H GLY A 47 -7.351 1.635 -0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.835 -0.729 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.143 -0.451 0.471 1.00 0.00 H new ATOM 785 N VAL A 48 -7.873 0.922 2.818 1.00 0.00 N ATOM 786 CA VAL A 48 -8.107 1.070 4.255 1.00 0.00 C ATOM 787 C VAL A 48 -9.588 1.279 4.547 1.00 0.00 C ATOM 788 O VAL A 48 -10.131 0.704 5.490 1.00 0.00 O ATOM 789 CB VAL A 48 -7.301 2.251 4.847 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.641 2.461 6.315 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.809 2.013 4.688 1.00 0.00 C ATOM 0 H VAL A 48 -7.222 1.603 2.428 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.771 0.146 4.726 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.575 3.151 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.061 3.297 6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.704 2.679 6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.401 1.558 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.259 2.854 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.529 1.098 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.567 1.916 3.630 1.00 0.00 H new ATOM 801 N LYS A 49 -10.240 2.089 3.724 1.00 0.00 N ATOM 802 CA LYS A 49 -11.653 2.390 3.902 1.00 0.00 C ATOM 803 C LYS A 49 -12.492 1.118 3.803 1.00 0.00 C ATOM 804 O LYS A 49 -13.400 0.898 4.608 1.00 0.00 O ATOM 805 CB LYS A 49 -12.110 3.412 2.857 1.00 0.00 C ATOM 806 CG LYS A 49 -13.511 3.958 3.096 1.00 0.00 C ATOM 807 CD LYS A 49 -13.611 4.709 4.419 1.00 0.00 C ATOM 808 CE LYS A 49 -12.665 5.900 4.466 1.00 0.00 C ATOM 809 NZ LYS A 49 -12.811 6.674 5.727 1.00 0.00 N ATOM 0 H LYS A 49 -9.810 2.551 2.923 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.793 2.816 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.405 4.243 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.075 2.949 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.785 4.625 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.227 3.136 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.635 5.052 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.382 4.030 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.637 5.551 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.860 6.552 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.150 7.477 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.785 7.029 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.600 6.059 6.538 1.00 0.00 H new ATOM 823 N VAL A 50 -12.177 0.280 2.824 1.00 0.00 N ATOM 824 CA VAL A 50 -12.893 -0.975 2.647 1.00 0.00 C ATOM 825 C VAL A 50 -12.557 -1.953 3.773 1.00 0.00 C ATOM 826 O VAL A 50 -13.439 -2.635 4.294 1.00 0.00 O ATOM 827 CB VAL A 50 -12.588 -1.628 1.282 1.00 0.00 C ATOM 828 CG1 VAL A 50 -13.410 -2.894 1.095 1.00 0.00 C ATOM 829 CG2 VAL A 50 -12.855 -0.650 0.147 1.00 0.00 C ATOM 0 H VAL A 50 -11.435 0.446 2.144 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.957 -0.740 2.678 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.532 -1.898 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.179 -3.338 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.169 -3.604 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.471 -2.649 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.634 -1.130 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.902 -0.347 0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.221 0.228 0.267 1.00 0.00 H new ATOM 839 N TYR A 51 -11.283 -2.008 4.156 1.00 0.00 N ATOM 840 CA TYR A 51 -10.858 -2.862 5.262 1.00 0.00 C ATOM 841 C TYR A 51 -11.561 -2.457 6.550 1.00 0.00 C ATOM 842 O TYR A 51 -12.002 -3.309 7.319 1.00 0.00 O ATOM 843 CB TYR A 51 -9.338 -2.807 5.457 1.00 0.00 C ATOM 844 CG TYR A 51 -8.551 -3.494 4.361 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.950 -4.727 3.859 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.415 -2.905 3.822 1.00 0.00 C ATOM 847 CE1 TYR A 51 -8.233 -5.357 2.860 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.692 -3.528 2.822 1.00 0.00 C ATOM 849 CZ TYR A 51 -7.108 -4.752 2.341 1.00 0.00 C ATOM 850 OH TYR A 51 -6.395 -5.376 1.343 1.00 0.00 O ATOM 0 H TYR A 51 -10.531 -1.474 3.719 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.134 -3.887 5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.027 -1.764 5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.088 -3.267 6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.835 -5.201 4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.091 -1.943 4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.552 -6.319 2.487 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.806 -3.059 2.420 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.632 -4.817 1.088 1.00 0.00 H new ATOM 860 N LYS A 52 -11.668 -1.154 6.772 1.00 0.00 N ATOM 861 CA LYS A 52 -12.375 -0.623 7.933 1.00 0.00 C ATOM 862 C LYS A 52 -13.836 -1.057 7.913 1.00 0.00 C ATOM 863 O LYS A 52 -14.411 -1.406 8.945 1.00 0.00 O ATOM 864 CB LYS A 52 -12.289 0.906 7.945 1.00 0.00 C ATOM 865 CG LYS A 52 -11.643 1.483 9.194 1.00 0.00 C ATOM 866 CD LYS A 52 -12.470 1.199 10.435 1.00 0.00 C ATOM 867 CE LYS A 52 -11.813 1.770 11.679 1.00 0.00 C ATOM 868 NZ LYS A 52 -12.630 1.524 12.894 1.00 0.00 N ATOM 0 H LYS A 52 -11.272 -0.440 6.160 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.905 -1.017 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.724 1.234 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.294 1.316 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.646 1.060 9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.521 2.560 9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.465 1.628 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.598 0.123 10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.827 1.324 11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.664 2.842 11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.149 1.928 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.562 1.971 12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.751 0.500 13.029 1.00 0.00 H new ATOM 882 N GLU A 53 -14.421 -1.043 6.725 1.00 0.00 N ATOM 883 CA GLU A 53 -15.812 -1.422 6.543 1.00 0.00 C ATOM 884 C GLU A 53 -15.998 -2.912 6.825 1.00 0.00 C ATOM 885 O GLU A 53 -16.928 -3.316 7.528 1.00 0.00 O ATOM 886 CB GLU A 53 -16.237 -1.108 5.109 1.00 0.00 C ATOM 887 CG GLU A 53 -17.733 -0.936 4.931 1.00 0.00 C ATOM 888 CD GLU A 53 -18.250 0.315 5.608 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.886 1.426 5.164 1.00 0.00 O ATOM 890 OE2 GLU A 53 -19.020 0.196 6.585 1.00 0.00 O ATOM 0 H GLU A 53 -13.947 -0.770 5.864 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.431 -0.857 7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.736 -0.196 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.894 -1.910 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.968 -0.895 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.248 -1.806 5.338 1.00 0.00 H new ATOM 897 N ALA A 54 -15.095 -3.715 6.276 1.00 0.00 N ATOM 898 CA ALA A 54 -15.158 -5.165 6.406 1.00 0.00 C ATOM 899 C ALA A 54 -14.814 -5.628 7.820 1.00 0.00 C ATOM 900 O ALA A 54 -15.350 -6.626 8.293 1.00 0.00 O ATOM 901 CB ALA A 54 -14.227 -5.822 5.398 1.00 0.00 C ATOM 0 H ALA A 54 -14.301 -3.381 5.730 1.00 0.00 H new ATOM 0 HA ALA A 54 -16.185 -5.468 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.282 -6.905 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.527 -5.541 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.204 -5.491 5.578 1.00 0.00 H new ATOM 907 N ALA A 55 -13.921 -4.907 8.487 1.00 0.00 N ATOM 908 CA ALA A 55 -13.474 -5.282 9.827 1.00 0.00 C ATOM 909 C ALA A 55 -14.623 -5.256 10.831 1.00 0.00 C ATOM 910 O ALA A 55 -14.709 -6.117 11.708 1.00 0.00 O ATOM 911 CB ALA A 55 -12.338 -4.376 10.286 1.00 0.00 C ATOM 0 H ALA A 55 -13.490 -4.057 8.123 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.104 -6.306 9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.019 -4.671 11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.499 -4.466 9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.682 -3.342 10.305 1.00 0.00 H new ATOM 917 N GLU A 56 -15.513 -4.281 10.696 1.00 0.00 N ATOM 918 CA GLU A 56 -16.675 -4.189 11.574 1.00 0.00 C ATOM 919 C GLU A 56 -17.679 -5.294 11.263 1.00 0.00 C ATOM 920 O GLU A 56 -18.489 -5.672 12.106 1.00 0.00 O ATOM 921 CB GLU A 56 -17.342 -2.821 11.439 1.00 0.00 C ATOM 922 CG GLU A 56 -16.519 -1.686 12.021 1.00 0.00 C ATOM 923 CD GLU A 56 -16.256 -1.865 13.503 1.00 0.00 C ATOM 924 OE1 GLU A 56 -17.230 -1.903 14.285 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.076 -1.977 13.895 1.00 0.00 O ATOM 0 H GLU A 56 -15.454 -3.546 9.991 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.332 -4.313 12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.530 -2.620 10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.312 -2.848 11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.569 -1.621 11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.040 -0.742 11.858 1.00 0.00 H new ATOM 932 N LYS A 57 -17.612 -5.811 10.047 1.00 0.00 N ATOM 933 CA LYS A 57 -18.469 -6.901 9.618 1.00 0.00 C ATOM 934 C LYS A 57 -17.666 -8.195 9.542 1.00 0.00 C ATOM 935 O LYS A 57 -17.877 -9.025 8.655 1.00 0.00 O ATOM 936 CB LYS A 57 -19.080 -6.563 8.261 1.00 0.00 C ATOM 937 CG LYS A 57 -20.221 -5.564 8.347 1.00 0.00 C ATOM 938 CD LYS A 57 -20.759 -5.204 6.973 1.00 0.00 C ATOM 939 CE LYS A 57 -22.033 -4.379 7.071 1.00 0.00 C ATOM 940 NZ LYS A 57 -21.832 -3.114 7.829 1.00 0.00 N ATOM 0 H LYS A 57 -16.962 -5.486 9.331 1.00 0.00 H new ATOM 0 HA LYS A 57 -19.273 -7.040 10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.303 -6.161 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -19.443 -7.479 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -21.024 -5.981 8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -19.876 -4.661 8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -20.004 -4.645 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -20.957 -6.115 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -22.390 -4.146 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -22.810 -4.971 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -22.686 -2.525 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -21.650 -3.334 8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -21.020 -2.598 7.434 1.00 0.00 H new ATOM 954 N ALA A 58 -16.754 -8.355 10.494 1.00 0.00 N ATOM 955 CA ALA A 58 -15.866 -9.509 10.543 1.00 0.00 C ATOM 956 C ALA A 58 -16.636 -10.822 10.585 1.00 0.00 C ATOM 957 O ALA A 58 -17.653 -10.945 11.268 1.00 0.00 O ATOM 958 CB ALA A 58 -14.939 -9.413 11.742 1.00 0.00 C ATOM 0 H ALA A 58 -16.610 -7.689 11.253 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.276 -9.501 9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.282 -10.282 11.764 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.339 -8.506 11.666 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.530 -9.381 12.657 1.00 0.00 H new ATOM 964 N ARG A 59 -16.135 -11.795 9.844 1.00 0.00 N ATOM 965 CA ARG A 59 -16.749 -13.114 9.786 1.00 0.00 C ATOM 966 C ARG A 59 -15.965 -14.094 10.653 1.00 0.00 C ATOM 967 O ARG A 59 -16.492 -15.110 11.104 1.00 0.00 O ATOM 968 CB ARG A 59 -16.788 -13.602 8.335 1.00 0.00 C ATOM 969 CG ARG A 59 -17.336 -12.560 7.373 1.00 0.00 C ATOM 970 CD ARG A 59 -17.179 -12.978 5.920 1.00 0.00 C ATOM 971 NE ARG A 59 -17.371 -11.841 5.017 1.00 0.00 N ATOM 972 CZ ARG A 59 -17.200 -11.888 3.699 1.00 0.00 C ATOM 973 NH1 ARG A 59 -16.928 -13.040 3.098 1.00 0.00 N ATOM 974 NH2 ARG A 59 -17.329 -10.781 2.981 1.00 0.00 N ATOM 0 H ARG A 59 -15.298 -11.697 9.269 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.769 -13.052 10.166 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.781 -13.882 8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.401 -14.501 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.391 -12.389 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.821 -11.613 7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.187 -13.404 5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.901 -13.759 5.684 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.656 -10.952 5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.849 -13.896 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.798 -13.069 2.087 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.558 -9.899 3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.199 -10.811 1.970 1.00 0.00 H new ATOM 988 N ASN A 60 -14.701 -13.763 10.890 1.00 0.00 N ATOM 989 CA ASN A 60 -13.804 -14.606 11.669 1.00 0.00 C ATOM 990 C ASN A 60 -12.733 -13.742 12.330 1.00 0.00 C ATOM 991 O ASN A 60 -12.071 -12.958 11.651 1.00 0.00 O ATOM 992 CB ASN A 60 -13.153 -15.662 10.764 1.00 0.00 C ATOM 993 CG ASN A 60 -12.127 -16.519 11.486 1.00 0.00 C ATOM 994 OD1 ASN A 60 -12.222 -16.751 12.690 1.00 0.00 O ATOM 995 ND2 ASN A 60 -11.145 -17.007 10.749 1.00 0.00 N ATOM 0 H ASN A 60 -14.270 -12.904 10.548 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.375 -15.118 12.443 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.930 -16.306 10.352 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.673 -15.163 9.922 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.432 -17.598 11.176 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.100 -16.792 9.753 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.580 -13.843 13.663 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.560 -13.096 14.412 1.00 0.00 C ATOM 1004 C PRO A 61 -10.161 -13.227 13.806 1.00 0.00 C ATOM 1005 O PRO A 61 -9.470 -12.227 13.605 1.00 0.00 O ATOM 1006 CB PRO A 61 -11.605 -13.735 15.799 1.00 0.00 C ATOM 1007 CG PRO A 61 -12.999 -14.236 15.934 1.00 0.00 C ATOM 1008 CD PRO A 61 -13.412 -14.676 14.556 1.00 0.00 C ATOM 0 HA PRO A 61 -11.762 -12.025 14.410 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.882 -14.546 15.886 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.367 -13.010 16.578 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.050 -15.064 16.641 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.660 -13.455 16.310 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.226 -15.739 14.402 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.475 -14.510 14.384 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.760 -14.458 13.498 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.449 -14.716 12.899 1.00 0.00 C ATOM 1018 C GLU A 62 -8.317 -14.013 11.551 1.00 0.00 C ATOM 1019 O GLU A 62 -7.258 -13.489 11.211 1.00 0.00 O ATOM 1020 CB GLU A 62 -8.211 -16.220 12.728 1.00 0.00 C ATOM 1021 CG GLU A 62 -7.847 -16.946 14.017 1.00 0.00 C ATOM 1022 CD GLU A 62 -8.927 -16.861 15.072 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -9.902 -17.635 14.997 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -8.808 -16.014 15.979 1.00 0.00 O ATOM 0 H GLU A 62 -10.323 -15.294 13.653 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.694 -14.318 13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.110 -16.673 12.310 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.412 -16.370 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.648 -17.994 13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.924 -16.525 14.416 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.403 -14.000 10.792 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.421 -13.347 9.491 1.00 0.00 C ATOM 1033 C LYS A 63 -9.306 -11.837 9.656 1.00 0.00 C ATOM 1034 O LYS A 63 -8.580 -11.174 8.915 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.712 -13.692 8.746 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.730 -13.278 7.280 1.00 0.00 C ATOM 1037 CD LYS A 63 -10.044 -14.308 6.393 1.00 0.00 C ATOM 1038 CE LYS A 63 -8.528 -14.259 6.506 1.00 0.00 C ATOM 1039 NZ LYS A 63 -7.887 -15.407 5.809 1.00 0.00 N ATOM 0 H LYS A 63 -10.287 -14.436 11.056 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.570 -13.704 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.875 -14.768 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.548 -13.213 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.761 -13.145 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.234 -12.314 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.393 -15.305 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.333 -14.139 5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.161 -13.325 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.241 -14.265 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.854 -15.340 5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.218 -16.298 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.141 -15.386 4.801 1.00 0.00 H new ATOM 1053 N ARG A 64 -10.025 -11.297 10.637 1.00 0.00 N ATOM 1054 CA ARG A 64 -10.011 -9.860 10.878 1.00 0.00 C ATOM 1055 C ARG A 64 -8.665 -9.422 11.427 1.00 0.00 C ATOM 1056 O ARG A 64 -8.254 -8.291 11.220 1.00 0.00 O ATOM 1057 CB ARG A 64 -11.112 -9.439 11.851 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.538 -7.989 11.666 1.00 0.00 C ATOM 1059 CD ARG A 64 -12.099 -7.394 12.944 1.00 0.00 C ATOM 1060 NE ARG A 64 -11.071 -6.692 13.712 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.131 -6.489 15.023 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -12.131 -7.001 15.731 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -10.185 -5.781 15.624 1.00 0.00 N ATOM 0 H ARG A 64 -10.620 -11.829 11.272 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.191 -9.374 9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.978 -10.088 11.716 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.762 -9.583 12.873 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.683 -7.399 11.336 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.289 -7.929 10.878 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.906 -6.703 12.700 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.532 -8.186 13.555 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.258 -6.336 13.210 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.854 -7.551 15.268 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.176 -6.844 16.738 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.414 -5.394 15.080 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.228 -5.623 16.631 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.995 -10.317 12.146 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.665 -10.055 12.666 1.00 0.00 C ATOM 1079 C GLN A 65 -5.711 -9.728 11.520 1.00 0.00 C ATOM 1080 O GLN A 65 -4.908 -8.794 11.605 1.00 0.00 O ATOM 1081 CB GLN A 65 -6.190 -11.283 13.444 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.956 -11.054 14.290 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.683 -11.563 13.641 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -2.994 -10.839 12.923 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -3.363 -12.821 13.893 1.00 0.00 N ATOM 0 H GLN A 65 -8.360 -11.240 12.382 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.687 -9.196 13.336 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.999 -11.623 14.090 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.986 -12.088 12.738 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.853 -9.987 14.489 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.087 -11.547 15.253 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.961 -13.389 14.494 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.518 -13.224 13.487 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.834 -10.490 10.440 1.00 0.00 N ATOM 1095 CA VAL A 66 -5.065 -10.248 9.227 1.00 0.00 C ATOM 1096 C VAL A 66 -5.383 -8.865 8.658 1.00 0.00 C ATOM 1097 O VAL A 66 -4.479 -8.085 8.339 1.00 0.00 O ATOM 1098 CB VAL A 66 -5.355 -11.331 8.158 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.622 -11.030 6.858 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.967 -12.707 8.678 1.00 0.00 C ATOM 0 H VAL A 66 -6.466 -11.288 10.381 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.008 -10.293 9.490 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.425 -11.322 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.844 -11.807 6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.948 -10.064 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.548 -11.003 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.177 -13.457 7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.903 -12.719 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.542 -12.932 9.576 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.675 -8.560 8.569 1.00 0.00 N ATOM 1111 CA ILE A 67 -7.138 -7.285 8.032 1.00 0.00 C ATOM 1112 C ILE A 67 -6.703 -6.126 8.924 1.00 0.00 C ATOM 1113 O ILE A 67 -6.193 -5.117 8.442 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.679 -7.274 7.901 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -9.143 -8.406 6.981 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -9.172 -5.929 7.382 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.649 -8.534 6.883 1.00 0.00 C ATOM 0 H ILE A 67 -7.425 -9.185 8.865 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.690 -7.163 7.046 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.106 -7.431 8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.736 -8.241 5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.730 -9.348 7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.259 -5.947 7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.874 -5.141 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.736 -5.735 6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.901 -9.357 6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.063 -8.731 7.872 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.068 -7.607 6.492 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.894 -6.301 10.226 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.592 -5.275 11.224 1.00 0.00 C ATOM 1131 C ASP A 68 -5.128 -4.849 11.133 1.00 0.00 C ATOM 1132 O ASP A 68 -4.813 -3.657 11.126 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.897 -5.821 12.627 1.00 0.00 C ATOM 1134 CG ASP A 68 -7.107 -4.741 13.674 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -6.117 -4.132 14.122 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -8.273 -4.527 14.084 1.00 0.00 O ATOM 0 H ASP A 68 -7.265 -7.163 10.624 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.214 -4.401 11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.790 -6.444 12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.076 -6.465 12.942 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.241 -5.837 11.029 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.807 -5.578 10.945 1.00 0.00 C ATOM 1143 C LYS A 69 -2.470 -4.796 9.676 1.00 0.00 C ATOM 1144 O LYS A 69 -1.694 -3.842 9.712 1.00 0.00 O ATOM 1145 CB LYS A 69 -2.019 -6.892 10.975 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.514 -6.692 11.083 1.00 0.00 C ATOM 1147 CD LYS A 69 0.230 -8.005 11.290 1.00 0.00 C ATOM 1148 CE LYS A 69 0.697 -8.630 9.981 1.00 0.00 C ATOM 1149 NZ LYS A 69 -0.423 -9.179 9.174 1.00 0.00 N ATOM 0 H LYS A 69 -4.492 -6.825 11.001 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.523 -4.978 11.809 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.360 -7.492 11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.239 -7.460 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.148 -6.208 10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.298 -6.020 11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.093 -7.831 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.420 -8.708 11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.228 -7.880 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.408 -9.427 10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.041 -9.723 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.007 -9.801 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.007 -8.397 8.813 1.00 0.00 H new ATOM 1163 N ILE A 70 -3.066 -5.197 8.560 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.823 -4.535 7.284 1.00 0.00 C ATOM 1165 C ILE A 70 -3.445 -3.141 7.265 1.00 0.00 C ATOM 1166 O ILE A 70 -2.862 -2.203 6.728 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.350 -5.378 6.098 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.545 -6.679 6.000 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.277 -4.593 4.792 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.948 -7.571 4.847 1.00 0.00 C ATOM 0 H ILE A 70 -3.721 -5.977 8.512 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.744 -4.434 7.170 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.398 -5.620 6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.488 -6.433 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.658 -7.234 6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.653 -5.209 3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.883 -3.691 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.242 -4.317 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.331 -8.469 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.996 -7.851 4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.808 -7.037 3.907 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.623 -3.013 7.864 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.307 -1.728 7.973 1.00 0.00 C ATOM 1184 C LEU A 71 -4.418 -0.719 8.700 1.00 0.00 C ATOM 1185 O LEU A 71 -4.215 0.402 8.226 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.635 -1.924 8.723 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.627 -0.750 8.699 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -9.009 -1.239 9.095 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.197 0.367 9.641 1.00 0.00 C ATOM 0 H LEU A 71 -5.129 -3.791 8.286 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.516 -1.338 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.134 -2.799 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.406 -2.154 9.764 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.647 -0.351 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.709 -0.404 9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.339 -2.005 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.972 -1.660 10.100 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.922 1.179 9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.143 -0.017 10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.217 0.739 9.341 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.882 -1.132 9.845 1.00 0.00 N ATOM 1202 CA GLU A 72 -3.000 -0.280 10.631 1.00 0.00 C ATOM 1203 C GLU A 72 -1.702 -0.009 9.876 1.00 0.00 C ATOM 1204 O GLU A 72 -1.171 1.106 9.908 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.711 -0.934 11.987 1.00 0.00 C ATOM 1206 CG GLU A 72 -1.640 -0.223 12.799 1.00 0.00 C ATOM 1207 CD GLU A 72 -1.682 -0.587 14.266 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -1.186 -1.668 14.646 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -2.207 0.223 15.060 1.00 0.00 O ATOM 0 H GLU A 72 -4.045 -2.054 10.249 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.497 0.675 10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.633 -0.965 12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.403 -1.967 11.823 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.659 -0.472 12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.765 0.855 12.693 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.213 -1.034 9.196 1.00 0.00 N ATOM 1217 CA ASP A 73 0.003 -0.936 8.400 1.00 0.00 C ATOM 1218 C ASP A 73 -0.163 0.089 7.288 1.00 0.00 C ATOM 1219 O ASP A 73 0.675 0.964 7.091 1.00 0.00 O ATOM 1220 CB ASP A 73 0.311 -2.282 7.751 1.00 0.00 C ATOM 1221 CG ASP A 73 1.730 -2.393 7.267 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.138 -1.640 6.396 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.447 -3.329 7.624 1.00 0.00 O ATOM 0 H ASP A 73 -1.647 -1.957 9.179 1.00 0.00 H new ATOM 0 HA ASP A 73 0.812 -0.635 9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.115 -3.078 8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.366 -2.437 6.911 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.263 -0.041 6.568 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.512 0.752 5.378 1.00 0.00 C ATOM 1230 C GLU A 74 -1.672 2.232 5.728 1.00 0.00 C ATOM 1231 O GLU A 74 -1.132 3.090 5.034 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.749 0.208 4.659 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.636 0.198 3.141 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.358 -0.462 2.657 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.269 -1.715 2.645 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.421 0.267 2.283 1.00 0.00 O ATOM 0 H GLU A 74 -2.009 -0.700 6.792 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.655 0.676 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.938 -0.808 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.614 0.808 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.494 -0.326 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.675 1.222 2.770 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.383 2.534 6.821 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.476 3.916 7.290 1.00 0.00 C ATOM 1245 C GLU A 75 -1.084 4.434 7.677 1.00 0.00 C ATOM 1246 O GLU A 75 -0.760 5.605 7.473 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.441 4.055 8.488 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.669 4.946 8.228 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.386 6.056 7.229 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -3.265 6.579 7.240 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.181 6.213 6.280 1.00 0.00 O ATOM 0 H GLU A 75 -2.892 1.854 7.385 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.876 4.515 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.785 3.062 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.889 4.460 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.488 4.330 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.000 5.385 9.169 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.254 3.543 8.216 1.00 0.00 N ATOM 1259 CA LYS A 76 1.098 3.904 8.625 1.00 0.00 C ATOM 1260 C LYS A 76 1.915 4.374 7.419 1.00 0.00 C ATOM 1261 O LYS A 76 2.725 5.297 7.529 1.00 0.00 O ATOM 1262 CB LYS A 76 1.785 2.712 9.307 1.00 0.00 C ATOM 1263 CG LYS A 76 3.140 3.028 9.934 1.00 0.00 C ATOM 1264 CD LYS A 76 3.007 3.786 11.251 1.00 0.00 C ATOM 1265 CE LYS A 76 2.627 5.244 11.043 1.00 0.00 C ATOM 1266 NZ LYS A 76 2.461 5.966 12.330 1.00 0.00 N ATOM 0 H LYS A 76 -0.496 2.566 8.379 1.00 0.00 H new ATOM 0 HA LYS A 76 1.036 4.725 9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.124 2.324 10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.917 1.917 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.684 2.099 10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.732 3.619 9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.253 3.302 11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.950 3.733 11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.395 5.737 10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.699 5.299 10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.690 6.972 12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.477 5.875 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.099 5.558 13.042 1.00 0.00 H new ATOM 1280 N HIS A 77 1.685 3.740 6.270 1.00 0.00 N ATOM 1281 CA HIS A 77 2.353 4.132 5.027 1.00 0.00 C ATOM 1282 C HIS A 77 1.925 5.531 4.611 1.00 0.00 C ATOM 1283 O HIS A 77 2.754 6.386 4.292 1.00 0.00 O ATOM 1284 CB HIS A 77 2.000 3.178 3.884 1.00 0.00 C ATOM 1285 CG HIS A 77 2.471 1.773 4.060 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.874 0.699 3.440 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.501 1.269 4.783 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.538 -0.401 3.805 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.539 -0.113 4.615 1.00 0.00 N ATOM 0 H HIS A 77 1.042 2.954 6.173 1.00 0.00 H new ATOM 0 HA HIS A 77 3.426 4.100 5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.917 3.168 3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.422 3.572 2.960 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.182 1.846 5.391 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.287 -1.400 3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.202 -0.766 5.031 1.00 0.00 H new ATOM 1296 N ILE A 78 0.615 5.743 4.627 1.00 0.00 N ATOM 1297 CA ILE A 78 0.019 6.989 4.172 1.00 0.00 C ATOM 1298 C ILE A 78 0.517 8.167 5.000 1.00 0.00 C ATOM 1299 O ILE A 78 0.770 9.245 4.463 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.518 6.911 4.235 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.996 5.667 3.487 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.138 8.164 3.632 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.452 5.337 3.720 1.00 0.00 C ATOM 0 H ILE A 78 -0.062 5.055 4.956 1.00 0.00 H new ATOM 0 HA ILE A 78 0.321 7.144 3.136 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.831 6.844 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.832 5.811 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.387 4.816 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.224 8.094 3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.804 9.039 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.830 8.257 2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.717 4.442 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.619 5.160 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.071 6.171 3.389 1.00 0.00 H new ATOM 1315 N GLU A 79 0.678 7.955 6.303 1.00 0.00 N ATOM 1316 CA GLU A 79 1.218 8.992 7.176 1.00 0.00 C ATOM 1317 C GLU A 79 2.615 9.413 6.715 1.00 0.00 C ATOM 1318 O GLU A 79 2.950 10.601 6.732 1.00 0.00 O ATOM 1319 CB GLU A 79 1.262 8.523 8.634 1.00 0.00 C ATOM 1320 CG GLU A 79 1.838 9.568 9.574 1.00 0.00 C ATOM 1321 CD GLU A 79 1.679 9.204 11.032 1.00 0.00 C ATOM 1322 OE1 GLU A 79 2.556 8.499 11.573 1.00 0.00 O ATOM 1323 OE2 GLU A 79 0.681 9.634 11.643 1.00 0.00 O ATOM 0 H GLU A 79 0.444 7.081 6.775 1.00 0.00 H new ATOM 0 HA GLU A 79 0.554 9.854 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.254 8.266 8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.859 7.614 8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.897 9.703 9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.349 10.524 9.389 1.00 0.00 H new ATOM 1330 N TRP A 80 3.420 8.443 6.287 1.00 0.00 N ATOM 1331 CA TRP A 80 4.749 8.733 5.764 1.00 0.00 C ATOM 1332 C TRP A 80 4.646 9.576 4.498 1.00 0.00 C ATOM 1333 O TRP A 80 5.277 10.623 4.392 1.00 0.00 O ATOM 1334 CB TRP A 80 5.524 7.439 5.482 1.00 0.00 C ATOM 1335 CG TRP A 80 6.778 7.648 4.685 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.130 6.981 3.553 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.834 8.587 4.946 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.337 7.444 3.087 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.790 8.428 3.926 1.00 0.00 C ATOM 1340 CE3 TRP A 80 8.065 9.546 5.942 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.955 9.190 3.869 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.223 10.301 5.884 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.154 10.118 4.854 1.00 0.00 C ATOM 0 H TRP A 80 3.174 7.453 6.293 1.00 0.00 H new ATOM 0 HA TRP A 80 5.296 9.297 6.520 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.781 6.966 6.430 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.875 6.747 4.946 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.546 6.201 3.088 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.818 7.109 2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.352 9.693 6.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.675 9.053 3.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.412 11.043 6.645 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.049 10.723 4.837 1.00 0.00 H new ATOM 1354 N HIS A 81 3.826 9.130 3.554 1.00 0.00 N ATOM 1355 CA HIS A 81 3.647 9.843 2.294 1.00 0.00 C ATOM 1356 C HIS A 81 3.057 11.237 2.515 1.00 0.00 C ATOM 1357 O HIS A 81 3.331 12.163 1.748 1.00 0.00 O ATOM 1358 CB HIS A 81 2.797 9.019 1.322 1.00 0.00 C ATOM 1359 CG HIS A 81 3.567 7.893 0.703 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.431 8.061 -0.354 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.629 6.578 1.033 1.00 0.00 C ATOM 1362 CE1 HIS A 81 4.982 6.876 -0.629 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.531 5.939 0.183 1.00 0.00 N ATOM 0 H HIS A 81 3.273 8.277 3.637 1.00 0.00 H new ATOM 0 HA HIS A 81 4.630 9.982 1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.933 8.617 1.850 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.415 9.670 0.536 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.618 8.937 -0.842 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.070 6.103 1.826 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.704 6.707 -1.415 1.00 0.00 H new ATOM 1371 N LYS A 82 2.242 11.385 3.554 1.00 0.00 N ATOM 1372 CA LYS A 82 1.735 12.698 3.949 1.00 0.00 C ATOM 1373 C LYS A 82 2.866 13.588 4.458 1.00 0.00 C ATOM 1374 O LYS A 82 2.976 14.753 4.072 1.00 0.00 O ATOM 1375 CB LYS A 82 0.665 12.567 5.035 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.705 12.182 4.507 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.710 12.001 5.638 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.772 13.226 6.545 1.00 0.00 C ATOM 1379 NZ LYS A 82 -2.217 14.447 5.821 1.00 0.00 N ATOM 0 H LYS A 82 1.918 10.614 4.138 1.00 0.00 H new ATOM 0 HA LYS A 82 1.291 13.156 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.987 11.820 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.585 13.514 5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.061 12.952 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.629 11.257 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.698 11.809 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.439 11.126 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.454 13.028 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.788 13.403 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.292 15.240 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.526 14.683 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.145 14.273 5.385 1.00 0.00 H new ATOM 1393 N ALA A 83 3.701 13.034 5.326 1.00 0.00 N ATOM 1394 CA ALA A 83 4.814 13.776 5.905 1.00 0.00 C ATOM 1395 C ALA A 83 5.899 14.049 4.867 1.00 0.00 C ATOM 1396 O ALA A 83 6.594 15.066 4.934 1.00 0.00 O ATOM 1397 CB ALA A 83 5.392 13.021 7.092 1.00 0.00 C ATOM 0 H ALA A 83 3.629 12.068 5.646 1.00 0.00 H new ATOM 0 HA ALA A 83 4.433 14.737 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.222 13.587 7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.620 12.889 7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.748 12.045 6.764 1.00 0.00 H new ATOM 1403 N ALA A 84 6.019 13.146 3.899 1.00 0.00 N ATOM 1404 CA ALA A 84 7.006 13.270 2.831 1.00 0.00 C ATOM 1405 C ALA A 84 6.753 14.512 1.983 1.00 0.00 C ATOM 1406 O ALA A 84 7.644 14.989 1.287 1.00 0.00 O ATOM 1407 CB ALA A 84 6.995 12.025 1.958 1.00 0.00 C ATOM 0 H ALA A 84 5.437 12.311 3.832 1.00 0.00 H new ATOM 0 HA ALA A 84 7.988 13.373 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.736 12.130 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.235 11.152 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.006 11.899 1.517 1.00 0.00 H new ATOM 1413 N SER A 85 5.537 15.038 2.052 1.00 0.00 N ATOM 1414 CA SER A 85 5.189 16.259 1.341 1.00 0.00 C ATOM 1415 C SER A 85 6.000 17.439 1.876 1.00 0.00 C ATOM 1416 O SER A 85 6.206 18.433 1.180 1.00 0.00 O ATOM 1417 CB SER A 85 3.686 16.537 1.477 1.00 0.00 C ATOM 1418 OG SER A 85 3.298 17.698 0.760 1.00 0.00 O ATOM 0 H SER A 85 4.773 14.636 2.595 1.00 0.00 H new ATOM 0 HA SER A 85 5.428 16.129 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.123 15.679 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.433 16.659 2.530 1.00 0.00 H new ATOM 0 HG SER A 85 2.335 17.843 0.868 1.00 0.00 H new ATOM 1424 N LYS A 86 6.468 17.313 3.112 1.00 0.00 N ATOM 1425 CA LYS A 86 7.256 18.358 3.750 1.00 0.00 C ATOM 1426 C LYS A 86 8.585 17.790 4.232 1.00 0.00 C ATOM 1427 O LYS A 86 9.241 18.359 5.104 1.00 0.00 O ATOM 1428 CB LYS A 86 6.474 18.967 4.920 1.00 0.00 C ATOM 1429 CG LYS A 86 5.224 19.721 4.488 1.00 0.00 C ATOM 1430 CD LYS A 86 4.433 20.228 5.681 1.00 0.00 C ATOM 1431 CE LYS A 86 3.263 21.104 5.246 1.00 0.00 C ATOM 1432 NZ LYS A 86 2.298 20.372 4.382 1.00 0.00 N ATOM 0 H LYS A 86 6.313 16.491 3.695 1.00 0.00 H new ATOM 0 HA LYS A 86 7.459 19.144 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.189 18.172 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.127 19.646 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.507 20.562 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.594 19.066 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.060 19.382 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.090 20.797 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.745 21.478 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.643 21.972 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.464 20.969 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.751 20.140 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.004 19.495 4.856 1.00 0.00 H new ATOM 1446 N GLN A 87 8.980 16.673 3.639 1.00 0.00 N ATOM 1447 CA GLN A 87 10.200 15.976 4.026 1.00 0.00 C ATOM 1448 C GLN A 87 10.685 15.126 2.849 1.00 0.00 C ATOM 1449 O GLN A 87 11.277 14.059 3.020 1.00 0.00 O ATOM 1450 CB GLN A 87 9.917 15.106 5.261 1.00 0.00 C ATOM 1451 CG GLN A 87 11.152 14.479 5.891 1.00 0.00 C ATOM 1452 CD GLN A 87 10.838 13.742 7.179 1.00 0.00 C ATOM 1453 OE1 GLN A 87 9.934 14.121 7.926 1.00 0.00 O ATOM 1454 NE2 GLN A 87 11.575 12.674 7.445 1.00 0.00 N ATOM 0 H GLN A 87 8.467 16.225 2.879 1.00 0.00 H new ATOM 0 HA GLN A 87 10.982 16.690 4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.413 15.716 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.226 14.312 4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.606 13.787 5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.888 15.257 6.092 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.315 12.392 6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.403 12.134 8.293 1.00 0.00 H new ATOM 1463 N GLY A 88 10.448 15.631 1.644 1.00 0.00 N ATOM 1464 CA GLY A 88 10.741 14.875 0.444 1.00 0.00 C ATOM 1465 C GLY A 88 12.193 14.961 0.026 1.00 0.00 C ATOM 1466 O GLY A 88 12.541 15.694 -0.900 1.00 0.00 O ATOM 0 H GLY A 88 10.055 16.558 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.478 13.830 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.113 15.239 -0.369 1.00 0.00 H new ATOM 1470 N ASN A 89 13.043 14.220 0.718 1.00 0.00 N ATOM 1471 CA ASN A 89 14.444 14.105 0.337 1.00 0.00 C ATOM 1472 C ASN A 89 14.630 12.863 -0.525 1.00 0.00 C ATOM 1473 O ASN A 89 14.306 11.758 -0.096 1.00 0.00 O ATOM 1474 CB ASN A 89 15.345 14.051 1.574 1.00 0.00 C ATOM 1475 CG ASN A 89 15.374 15.367 2.336 1.00 0.00 C ATOM 1476 OD1 ASN A 89 15.252 16.475 1.619 1.00 0.00 O flip ATOM 1477 ND2 ASN A 89 15.521 15.388 3.558 1.00 0.00 N flip ATOM 0 H ASN A 89 12.788 13.687 1.549 1.00 0.00 H new ATOM 0 HA ASN A 89 14.731 14.986 -0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.997 13.259 2.237 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.358 13.790 1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.611 14.514 4.076 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.552 16.279 4.053 1.00 0.00 H new ATOM 1484 N ALA A 90 15.149 13.059 -1.734 1.00 0.00 N ATOM 1485 CA ALA A 90 15.210 12.004 -2.752 1.00 0.00 C ATOM 1486 C ALA A 90 15.861 10.717 -2.244 1.00 0.00 C ATOM 1487 O ALA A 90 15.253 9.649 -2.290 1.00 0.00 O ATOM 1488 CB ALA A 90 15.953 12.513 -3.979 1.00 0.00 C ATOM 0 H ALA A 90 15.540 13.950 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 90 14.181 11.754 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.995 11.726 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.431 13.378 -4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.966 12.801 -3.698 1.00 0.00 H new ATOM 1494 N GLU A 91 17.082 10.824 -1.746 1.00 0.00 N ATOM 1495 CA GLU A 91 17.841 9.648 -1.331 1.00 0.00 C ATOM 1496 C GLU A 91 17.243 9.009 -0.080 1.00 0.00 C ATOM 1497 O GLU A 91 17.202 7.780 0.043 1.00 0.00 O ATOM 1498 CB GLU A 91 19.326 9.990 -1.122 1.00 0.00 C ATOM 1499 CG GLU A 91 19.622 11.471 -0.890 1.00 0.00 C ATOM 1500 CD GLU A 91 19.063 12.006 0.414 1.00 0.00 C ATOM 1501 OE1 GLU A 91 17.870 12.367 0.450 1.00 0.00 O ATOM 1502 OE2 GLU A 91 19.821 12.076 1.402 1.00 0.00 O ATOM 0 H GLU A 91 17.571 11.710 -1.618 1.00 0.00 H new ATOM 0 HA GLU A 91 17.776 8.917 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.697 9.423 -0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.887 9.655 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.701 11.623 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.209 12.049 -1.717 1.00 0.00 H new ATOM 1509 N GLN A 92 16.764 9.842 0.833 1.00 0.00 N ATOM 1510 CA GLN A 92 16.114 9.367 2.048 1.00 0.00 C ATOM 1511 C GLN A 92 14.827 8.621 1.695 1.00 0.00 C ATOM 1512 O GLN A 92 14.603 7.490 2.133 1.00 0.00 O ATOM 1513 CB GLN A 92 15.801 10.551 2.965 1.00 0.00 C ATOM 1514 CG GLN A 92 15.328 10.152 4.351 1.00 0.00 C ATOM 1515 CD GLN A 92 16.424 9.492 5.168 1.00 0.00 C ATOM 1516 OE1 GLN A 92 16.578 8.272 5.157 1.00 0.00 O ATOM 1517 NE2 GLN A 92 17.205 10.299 5.871 1.00 0.00 N ATOM 0 H GLN A 92 16.814 10.858 0.755 1.00 0.00 H new ATOM 0 HA GLN A 92 16.785 8.683 2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.694 11.169 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.036 11.169 2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.968 11.036 4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.484 9.469 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.045 11.306 5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.967 9.913 6.429 1.00 0.00 H new ATOM 1526 N PHE A 93 14.011 9.259 0.868 1.00 0.00 N ATOM 1527 CA PHE A 93 12.744 8.695 0.418 1.00 0.00 C ATOM 1528 C PHE A 93 12.970 7.393 -0.345 1.00 0.00 C ATOM 1529 O PHE A 93 12.255 6.416 -0.138 1.00 0.00 O ATOM 1530 CB PHE A 93 12.017 9.724 -0.460 1.00 0.00 C ATOM 1531 CG PHE A 93 10.779 9.215 -1.145 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.583 9.092 -0.455 1.00 0.00 C ATOM 1533 CD2 PHE A 93 10.813 8.876 -2.488 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.444 8.634 -1.094 1.00 0.00 C ATOM 1535 CE2 PHE A 93 9.681 8.421 -3.131 1.00 0.00 C ATOM 1536 CZ PHE A 93 8.496 8.301 -2.435 1.00 0.00 C ATOM 0 H PHE A 93 14.209 10.185 0.489 1.00 0.00 H new ATOM 0 HA PHE A 93 12.126 8.464 1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.746 10.580 0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.711 10.086 -1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.540 9.356 0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.738 8.969 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.518 8.537 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.722 8.159 -4.178 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.608 7.947 -2.938 1.00 0.00 H new ATOM 1546 N ALA A 94 13.986 7.380 -1.203 1.00 0.00 N ATOM 1547 CA ALA A 94 14.312 6.200 -2.000 1.00 0.00 C ATOM 1548 C ALA A 94 14.746 5.031 -1.118 1.00 0.00 C ATOM 1549 O ALA A 94 14.685 3.875 -1.529 1.00 0.00 O ATOM 1550 CB ALA A 94 15.398 6.532 -3.012 1.00 0.00 C ATOM 0 H ALA A 94 14.601 8.177 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 94 13.411 5.897 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 94 15.632 5.644 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 94 15.048 7.324 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.293 6.866 -2.488 1.00 0.00 H new ATOM 1556 N SER A 95 15.182 5.337 0.094 1.00 0.00 N ATOM 1557 CA SER A 95 15.581 4.304 1.035 1.00 0.00 C ATOM 1558 C SER A 95 14.362 3.748 1.768 1.00 0.00 C ATOM 1559 O SER A 95 14.178 2.535 1.855 1.00 0.00 O ATOM 1560 CB SER A 95 16.603 4.866 2.023 1.00 0.00 C ATOM 1561 OG SER A 95 17.711 5.417 1.329 1.00 0.00 O ATOM 0 H SER A 95 15.268 6.290 0.448 1.00 0.00 H new ATOM 0 HA SER A 95 16.045 3.484 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.136 5.632 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.942 4.077 2.694 1.00 0.00 H new ATOM 0 HG SER A 95 17.439 6.247 0.885 1.00 0.00 H new ATOM 1567 N LEU A 96 13.513 4.645 2.265 1.00 0.00 N ATOM 1568 CA LEU A 96 12.326 4.243 3.017 1.00 0.00 C ATOM 1569 C LEU A 96 11.276 3.600 2.112 1.00 0.00 C ATOM 1570 O LEU A 96 10.533 2.723 2.544 1.00 0.00 O ATOM 1571 CB LEU A 96 11.714 5.428 3.778 1.00 0.00 C ATOM 1572 CG LEU A 96 12.355 5.738 5.137 1.00 0.00 C ATOM 1573 CD1 LEU A 96 13.766 6.277 4.971 1.00 0.00 C ATOM 1574 CD2 LEU A 96 11.499 6.722 5.919 1.00 0.00 C ATOM 0 H LEU A 96 13.624 5.654 2.161 1.00 0.00 H new ATOM 0 HA LEU A 96 12.651 3.499 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.785 6.317 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.653 5.230 3.932 1.00 0.00 H new ATOM 0 HG LEU A 96 12.416 4.805 5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.193 6.487 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.380 5.537 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.738 7.195 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.969 6.930 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.402 7.649 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.511 6.293 6.084 1.00 0.00 H new ATOM 1586 N VAL A 97 11.214 4.039 0.857 1.00 0.00 N ATOM 1587 CA VAL A 97 10.246 3.497 -0.096 1.00 0.00 C ATOM 1588 C VAL A 97 10.485 2.002 -0.322 1.00 0.00 C ATOM 1589 O VAL A 97 9.543 1.241 -0.523 1.00 0.00 O ATOM 1590 CB VAL A 97 10.261 4.259 -1.451 1.00 0.00 C ATOM 1591 CG1 VAL A 97 11.539 3.991 -2.232 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.039 3.901 -2.281 1.00 0.00 C ATOM 0 H VAL A 97 11.820 4.766 0.476 1.00 0.00 H new ATOM 0 HA VAL A 97 9.258 3.635 0.343 1.00 0.00 H new ATOM 0 HB VAL A 97 10.230 5.326 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.512 4.541 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.399 4.316 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.623 2.924 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.068 4.445 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.035 2.829 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.136 4.172 -1.734 1.00 0.00 H new ATOM 1602 N GLN A 98 11.748 1.585 -0.274 1.00 0.00 N ATOM 1603 CA GLN A 98 12.096 0.175 -0.430 1.00 0.00 C ATOM 1604 C GLN A 98 11.436 -0.674 0.655 1.00 0.00 C ATOM 1605 O GLN A 98 11.054 -1.818 0.412 1.00 0.00 O ATOM 1606 CB GLN A 98 13.612 -0.010 -0.402 1.00 0.00 C ATOM 1607 CG GLN A 98 14.316 0.666 -1.566 1.00 0.00 C ATOM 1608 CD GLN A 98 15.822 0.493 -1.534 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.337 -0.499 -1.018 1.00 0.00 O ATOM 1610 NE2 GLN A 98 16.539 1.457 -2.090 1.00 0.00 N ATOM 0 H GLN A 98 12.547 2.203 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 98 11.723 -0.159 -1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.004 0.390 0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.842 -1.075 -0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.930 0.260 -2.501 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.079 1.730 -1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.073 2.263 -2.507 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.557 1.394 -2.101 1.00 0.00 H new ATOM 1619 N GLN A 99 11.289 -0.099 1.846 1.00 0.00 N ATOM 1620 CA GLN A 99 10.602 -0.774 2.941 1.00 0.00 C ATOM 1621 C GLN A 99 9.124 -0.939 2.607 1.00 0.00 C ATOM 1622 O GLN A 99 8.509 -1.949 2.946 1.00 0.00 O ATOM 1623 CB GLN A 99 10.760 0.016 4.244 1.00 0.00 C ATOM 1624 CG GLN A 99 12.183 0.042 4.772 1.00 0.00 C ATOM 1625 CD GLN A 99 12.679 -1.337 5.158 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.243 -2.057 4.333 1.00 0.00 O ATOM 1627 NE2 GLN A 99 12.480 -1.711 6.412 1.00 0.00 N ATOM 0 H GLN A 99 11.636 0.832 2.076 1.00 0.00 H new ATOM 0 HA GLN A 99 11.049 -1.759 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.423 1.040 4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.108 -0.417 5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.842 0.463 4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.234 0.700 5.639 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.008 -1.083 7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.798 -2.627 6.728 1.00 0.00 H new ATOM 1636 N HIS A 100 8.571 0.056 1.922 1.00 0.00 N ATOM 1637 CA HIS A 100 7.175 0.027 1.498 1.00 0.00 C ATOM 1638 C HIS A 100 6.976 -1.095 0.475 1.00 0.00 C ATOM 1639 O HIS A 100 5.997 -1.839 0.540 1.00 0.00 O ATOM 1640 CB HIS A 100 6.788 1.389 0.894 1.00 0.00 C ATOM 1641 CG HIS A 100 5.313 1.673 0.857 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.782 2.936 0.694 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.250 0.837 0.970 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.449 2.833 0.714 1.00 0.00 C ATOM 1645 NE2 HIS A 100 3.069 1.576 0.881 1.00 0.00 N ATOM 0 H HIS A 100 9.073 0.900 1.646 1.00 0.00 H new ATOM 0 HA HIS A 100 6.533 -0.165 2.357 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.280 2.176 1.466 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.178 1.443 -0.122 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.314 3.799 0.578 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.309 -0.233 1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.771 3.667 0.608 1.00 0.00 H new ATOM 1653 N LEU A 101 7.929 -1.219 -0.451 1.00 0.00 N ATOM 1654 CA LEU A 101 7.894 -2.269 -1.467 1.00 0.00 C ATOM 1655 C LEU A 101 7.856 -3.659 -0.836 1.00 0.00 C ATOM 1656 O LEU A 101 7.041 -4.497 -1.213 1.00 0.00 O ATOM 1657 CB LEU A 101 9.118 -2.170 -2.388 1.00 0.00 C ATOM 1658 CG LEU A 101 8.946 -1.322 -3.657 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.803 -1.857 -4.509 1.00 0.00 C ATOM 1660 CD2 LEU A 101 8.723 0.141 -3.312 1.00 0.00 C ATOM 0 H LEU A 101 8.738 -0.601 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 101 6.983 -2.123 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.948 -1.760 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.405 -3.178 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 101 9.867 -1.392 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.697 -1.243 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.016 -2.886 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.876 -1.826 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.605 0.717 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.824 0.238 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.581 0.518 -2.755 1.00 0.00 H new ATOM 1672 N GLN A 102 8.749 -3.892 0.118 1.00 0.00 N ATOM 1673 CA GLN A 102 8.842 -5.177 0.802 1.00 0.00 C ATOM 1674 C GLN A 102 7.605 -5.433 1.659 1.00 0.00 C ATOM 1675 O GLN A 102 7.100 -6.557 1.727 1.00 0.00 O ATOM 1676 CB GLN A 102 10.097 -5.197 1.676 1.00 0.00 C ATOM 1677 CG GLN A 102 11.395 -5.207 0.884 1.00 0.00 C ATOM 1678 CD GLN A 102 11.708 -6.567 0.288 1.00 0.00 C ATOM 1679 OE1 GLN A 102 11.307 -6.880 -0.833 1.00 0.00 O ATOM 1680 NE2 GLN A 102 12.445 -7.378 1.030 1.00 0.00 N ATOM 0 H GLN A 102 9.426 -3.200 0.439 1.00 0.00 H new ATOM 0 HA GLN A 102 8.902 -5.967 0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.087 -4.325 2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.067 -6.077 2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.333 -4.470 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.215 -4.903 1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.757 -7.081 1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.701 -8.300 0.678 1.00 0.00 H new ATOM 1689 N ASP A 103 7.118 -4.378 2.294 1.00 0.00 N ATOM 1690 CA ASP A 103 5.996 -4.474 3.220 1.00 0.00 C ATOM 1691 C ASP A 103 4.713 -4.910 2.511 1.00 0.00 C ATOM 1692 O ASP A 103 4.035 -5.834 2.962 1.00 0.00 O ATOM 1693 CB ASP A 103 5.778 -3.127 3.913 1.00 0.00 C ATOM 1694 CG ASP A 103 4.596 -3.136 4.856 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.450 -3.089 4.416 1.00 0.00 O ATOM 1696 OD2 ASP A 103 4.758 -3.169 6.080 1.00 0.00 O ATOM 0 H ASP A 103 7.487 -3.433 2.184 1.00 0.00 H new ATOM 0 HA ASP A 103 6.239 -5.234 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.677 -2.860 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.628 -2.355 3.158 1.00 0.00 H new ATOM 1701 N GLU A 104 4.391 -4.255 1.397 1.00 0.00 N ATOM 1702 CA GLU A 104 3.146 -4.533 0.677 1.00 0.00 C ATOM 1703 C GLU A 104 3.122 -5.958 0.141 1.00 0.00 C ATOM 1704 O GLU A 104 2.057 -6.561 0.016 1.00 0.00 O ATOM 1705 CB GLU A 104 2.947 -3.549 -0.472 1.00 0.00 C ATOM 1706 CG GLU A 104 2.911 -2.097 -0.030 1.00 0.00 C ATOM 1707 CD GLU A 104 1.663 -1.713 0.750 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.002 -2.591 1.364 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.340 -0.507 0.777 1.00 0.00 O ATOM 0 H GLU A 104 4.971 -3.531 0.973 1.00 0.00 H new ATOM 0 HA GLU A 104 2.329 -4.416 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.752 -3.680 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.016 -3.787 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.787 -1.895 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.986 -1.459 -0.911 1.00 0.00 H new ATOM 1716 N GLN A 105 4.298 -6.497 -0.168 1.00 0.00 N ATOM 1717 CA GLN A 105 4.400 -7.872 -0.641 1.00 0.00 C ATOM 1718 C GLN A 105 3.895 -8.834 0.429 1.00 0.00 C ATOM 1719 O GLN A 105 3.196 -9.802 0.126 1.00 0.00 O ATOM 1720 CB GLN A 105 5.841 -8.211 -1.025 1.00 0.00 C ATOM 1721 CG GLN A 105 6.385 -7.339 -2.145 1.00 0.00 C ATOM 1722 CD GLN A 105 7.799 -7.708 -2.549 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.198 -8.870 -2.478 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.567 -6.714 -2.967 1.00 0.00 N ATOM 0 H GLN A 105 5.189 -6.005 -0.100 1.00 0.00 H new ATOM 0 HA GLN A 105 3.779 -7.976 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.479 -8.103 -0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.892 -9.256 -1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.731 -7.423 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.364 -6.296 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.195 -5.765 -3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.531 -6.897 -3.246 1.00 0.00 H new ATOM 1733 N ARG A 106 4.231 -8.545 1.683 1.00 0.00 N ATOM 1734 CA ARG A 106 3.749 -9.346 2.797 1.00 0.00 C ATOM 1735 C ARG A 106 2.242 -9.224 2.942 1.00 0.00 C ATOM 1736 O ARG A 106 1.579 -10.166 3.356 1.00 0.00 O ATOM 1737 CB ARG A 106 4.416 -8.941 4.110 1.00 0.00 C ATOM 1738 CG ARG A 106 5.675 -9.726 4.423 1.00 0.00 C ATOM 1739 CD ARG A 106 5.834 -9.913 5.922 1.00 0.00 C ATOM 1740 NE ARG A 106 4.632 -10.504 6.517 1.00 0.00 N ATOM 1741 CZ ARG A 106 4.627 -11.611 7.256 1.00 0.00 C ATOM 1742 NH1 ARG A 106 5.756 -12.279 7.477 1.00 0.00 N ATOM 1743 NH2 ARG A 106 3.484 -12.063 7.761 1.00 0.00 N ATOM 0 H ARG A 106 4.832 -7.765 1.950 1.00 0.00 H new ATOM 0 HA ARG A 106 4.008 -10.382 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.661 -7.880 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.704 -9.074 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.634 -10.699 3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.544 -9.204 4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.693 -10.553 6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.038 -8.950 6.391 1.00 0.00 H new ATOM 0 HE ARG A 106 3.740 -10.036 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.633 -11.944 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.744 -13.127 8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.614 -11.562 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.477 -12.911 8.328 1.00 0.00 H new ATOM 1757 N HIS A 107 1.711 -8.060 2.603 1.00 0.00 N ATOM 1758 CA HIS A 107 0.274 -7.826 2.681 1.00 0.00 C ATOM 1759 C HIS A 107 -0.466 -8.749 1.718 1.00 0.00 C ATOM 1760 O HIS A 107 -1.521 -9.285 2.047 1.00 0.00 O ATOM 1761 CB HIS A 107 -0.054 -6.356 2.389 1.00 0.00 C ATOM 1762 CG HIS A 107 0.383 -5.419 3.477 1.00 0.00 C ATOM 1763 ND1 HIS A 107 -0.103 -4.131 3.645 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.266 -5.621 4.491 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.488 -3.621 4.742 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.330 -4.480 5.283 1.00 0.00 N ATOM 0 H HIS A 107 2.252 -7.261 2.271 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.058 -8.049 3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.425 -6.064 1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.129 -6.254 2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.830 -6.527 4.656 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.296 -2.632 5.131 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.908 -4.337 6.111 1.00 0.00 H new ATOM 1773 N VAL A 108 0.110 -8.944 0.538 1.00 0.00 N ATOM 1774 CA VAL A 108 -0.469 -9.829 -0.466 1.00 0.00 C ATOM 1775 C VAL A 108 -0.420 -11.291 -0.013 1.00 0.00 C ATOM 1776 O VAL A 108 -1.434 -11.993 -0.034 1.00 0.00 O ATOM 1777 CB VAL A 108 0.261 -9.693 -1.819 1.00 0.00 C ATOM 1778 CG1 VAL A 108 -0.359 -10.601 -2.867 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.254 -8.245 -2.289 1.00 0.00 C ATOM 0 H VAL A 108 0.982 -8.499 0.252 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.510 -9.529 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 108 1.296 -10.003 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.175 -10.485 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.291 -11.637 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.406 -10.333 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.773 -8.170 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.775 -7.906 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.759 -7.621 -1.552 1.00 0.00 H new ATOM 1789 N GLU A 109 0.758 -11.742 0.408 1.00 0.00 N ATOM 1790 CA GLU A 109 0.947 -13.132 0.816 1.00 0.00 C ATOM 1791 C GLU A 109 0.164 -13.443 2.090 1.00 0.00 C ATOM 1792 O GLU A 109 -0.283 -14.574 2.292 1.00 0.00 O ATOM 1793 CB GLU A 109 2.434 -13.462 0.987 1.00 0.00 C ATOM 1794 CG GLU A 109 3.140 -12.634 2.043 1.00 0.00 C ATOM 1795 CD GLU A 109 4.621 -12.930 2.108 1.00 0.00 C ATOM 1796 OE1 GLU A 109 5.017 -13.859 2.844 1.00 0.00 O ATOM 1797 OE2 GLU A 109 5.399 -12.237 1.419 1.00 0.00 O ATOM 0 H GLU A 109 1.597 -11.166 0.476 1.00 0.00 H new ATOM 0 HA GLU A 109 0.556 -13.767 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.533 -14.517 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.938 -13.317 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.992 -11.575 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.690 -12.829 3.016 1.00 0.00 H new ATOM 1804 N GLU A 110 0.025 -12.440 2.954 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.754 -12.571 4.179 1.00 0.00 C ATOM 1806 C GLU A 110 -2.195 -12.942 3.834 1.00 0.00 C ATOM 1807 O GLU A 110 -2.843 -13.716 4.545 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.737 -11.248 4.948 1.00 0.00 C ATOM 1809 CG GLU A 110 -1.065 -11.381 6.424 1.00 0.00 C ATOM 1810 CD GLU A 110 0.125 -11.835 7.246 1.00 0.00 C ATOM 1811 OE1 GLU A 110 0.948 -10.972 7.622 1.00 0.00 O ATOM 1812 OE2 GLU A 110 0.239 -13.044 7.530 1.00 0.00 O ATOM 0 H GLU A 110 0.447 -11.520 2.825 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.316 -13.353 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.249 -10.794 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.451 -10.565 4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.418 -10.422 6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.881 -12.093 6.549 1.00 0.00 H new ATOM 1819 N ILE A 111 -2.687 -12.383 2.732 1.00 0.00 N ATOM 1820 CA ILE A 111 -4.032 -12.672 2.257 1.00 0.00 C ATOM 1821 C ILE A 111 -4.088 -14.064 1.629 1.00 0.00 C ATOM 1822 O ILE A 111 -4.820 -14.936 2.107 1.00 0.00 O ATOM 1823 CB ILE A 111 -4.517 -11.618 1.232 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -4.525 -10.220 1.862 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -5.903 -11.974 0.704 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -5.428 -10.092 3.068 1.00 0.00 C ATOM 0 H ILE A 111 -2.169 -11.724 2.150 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.696 -12.636 3.121 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.823 -11.615 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.508 -9.959 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.837 -9.496 1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.223 -11.220 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.867 -12.948 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.610 -12.009 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.377 -9.074 3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.454 -10.320 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.105 -10.790 3.840 1.00 0.00 H new ATOM 1838 N GLU A 112 -3.325 -14.273 0.562 1.00 0.00 N ATOM 1839 CA GLU A 112 -3.301 -15.563 -0.095 1.00 0.00 C ATOM 1840 C GLU A 112 -1.888 -15.974 -0.530 1.00 0.00 C ATOM 1841 O GLU A 112 -1.338 -16.941 0.004 1.00 0.00 O ATOM 1842 CB GLU A 112 -4.288 -15.585 -1.267 1.00 0.00 C ATOM 1843 CG GLU A 112 -4.465 -14.256 -1.991 1.00 0.00 C ATOM 1844 CD GLU A 112 -3.615 -14.153 -3.235 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -4.032 -14.677 -4.287 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -2.522 -13.567 -3.158 1.00 0.00 O ATOM 0 H GLU A 112 -2.721 -13.568 0.140 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.620 -16.309 0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.955 -16.332 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.260 -15.911 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.514 -14.131 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.211 -13.441 -1.313 1.00 0.00 H new ATOM 1853 N LYS A 113 -1.299 -15.258 -1.486 1.00 0.00 N ATOM 1854 CA LYS A 113 0.013 -15.631 -2.015 1.00 0.00 C ATOM 1855 C LYS A 113 0.655 -14.487 -2.808 1.00 0.00 C ATOM 1856 O LYS A 113 1.658 -13.911 -2.385 1.00 0.00 O ATOM 1857 CB LYS A 113 -0.119 -16.882 -2.906 1.00 0.00 C ATOM 1858 CG LYS A 113 -1.267 -16.802 -3.905 1.00 0.00 C ATOM 1859 CD LYS A 113 -1.345 -18.028 -4.798 1.00 0.00 C ATOM 1860 CE LYS A 113 -2.472 -17.892 -5.812 1.00 0.00 C ATOM 1861 NZ LYS A 113 -2.611 -19.089 -6.685 1.00 0.00 N ATOM 0 H LYS A 113 -1.705 -14.423 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 113 0.663 -15.850 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.814 -17.031 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -0.261 -17.756 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.207 -16.689 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -1.145 -15.913 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.397 -18.164 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.505 -18.917 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.411 -17.722 -5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.292 -17.014 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.392 -18.941 -7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.727 -19.239 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.811 -19.925 -6.099 1.00 0.00 H new ATOM 1875 N LYS A 114 0.031 -14.145 -3.930 1.00 0.00 N ATOM 1876 CA LYS A 114 0.584 -13.225 -4.931 1.00 0.00 C ATOM 1877 C LYS A 114 -0.530 -12.804 -5.882 1.00 0.00 C ATOM 1878 O LYS A 114 -0.567 -11.666 -6.357 1.00 0.00 O ATOM 1879 CB LYS A 114 1.698 -13.885 -5.766 1.00 0.00 C ATOM 1880 CG LYS A 114 3.001 -14.155 -5.027 1.00 0.00 C ATOM 1881 CD LYS A 114 3.701 -12.871 -4.615 1.00 0.00 C ATOM 1882 CE LYS A 114 5.068 -13.158 -4.016 1.00 0.00 C ATOM 1883 NZ LYS A 114 5.756 -11.918 -3.575 1.00 0.00 N ATOM 0 H LYS A 114 -0.891 -14.503 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 114 1.006 -12.371 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.322 -14.829 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 114 1.913 -13.246 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.797 -14.756 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.664 -14.740 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 114 3.810 -12.219 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.088 -12.336 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.957 -13.832 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.685 -13.672 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.684 -12.160 -3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.886 -11.285 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.180 -11.440 -2.853 1.00 0.00 H new ATOM 1897 N ASN A 115 -1.420 -13.765 -6.154 1.00 0.00 N ATOM 1898 CA ASN A 115 -2.551 -13.603 -7.063 1.00 0.00 C ATOM 1899 C ASN A 115 -2.057 -13.575 -8.505 1.00 0.00 C ATOM 1900 O ASN A 115 -2.076 -12.502 -9.133 1.00 0.00 O ATOM 1901 CB ASN A 115 -3.371 -12.343 -6.747 1.00 0.00 C ATOM 1902 CG ASN A 115 -4.754 -12.383 -7.374 1.00 0.00 C ATOM 1903 OD1 ASN A 115 -5.294 -11.356 -7.793 1.00 0.00 O ATOM 1904 ND2 ASN A 115 -5.354 -13.567 -7.413 1.00 0.00 N ATOM 1905 OXT ASN A 115 -1.621 -14.637 -8.996 1.00 0.00 O ATOM 0 H ASN A 115 -1.370 -14.695 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 115 -3.214 -14.457 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.467 -12.236 -5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.836 -11.464 -7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -6.294 -13.650 -7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.874 -14.394 -7.057 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.085 -2.971 6.049 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.930 0.845 1.541 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.465 -2.900 1.935 1.00 0.00 ZN