USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 964 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 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= 1.07 K(o=4.5,f=-4.7) USER MOD Set 1.2: A 81 HIS : no HE2:sc= 1.75 K(o=4.5,f=-8!) USER MOD Set 1.3: A 85 SER OG : rot 68:sc= 1.65 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.122 (180deg=-0.662) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.24 (180deg=0.777) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc=-0.00492 (180deg=-0.124) USER MOD Single : A 12 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.48) USER MOD Single : A 13 GLN : amide:sc= -1.85! C(o=-1.8!,f=-7.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= 1.17 (180deg=0.909) USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= 1.3 (180deg=1.01) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 38 GLN : amide:sc= -0.288 K(o=-0.29,f=-0.95) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -1.65! (180deg=-2.4!) USER MOD Single : A 46 GLN : amide:sc= -0.238 K(o=-0.24,f=-0.88) 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+ 167:sc= 1.29 (180deg=0.501) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.812) USER MOD Single : A 60 ASN : amide:sc= -0.0331 K(o=-0.033,f=-9.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.81) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 1.02 (180deg=0.955) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -139:sc= 1.04 (180deg=0.0532) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0458) USER MOD Single : A 87 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.2) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 92 GLN :FLIP amide:sc=-0.00223 F(o=-1,f=-0.0022) USER MOD Single : A 95 SER OG : rot 77:sc= 0.598 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 105 GLN : amide:sc= -0.408 K(o=-0.41,f=-0.97) USER MOD Single : A 113 LYS NZ :NH3+ 171:sc= 0.208 (180deg=0.138) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.221 K(o=-0.22,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.844 -6.079 -4.843 1.00 0.00 N ATOM 2 CA MET A 1 -18.895 -6.508 -3.789 1.00 0.00 C ATOM 3 C MET A 1 -18.174 -7.779 -4.216 1.00 0.00 C ATOM 4 O MET A 1 -18.699 -8.883 -4.066 1.00 0.00 O ATOM 5 CB MET A 1 -19.623 -6.743 -2.458 1.00 0.00 C ATOM 6 CG MET A 1 -20.204 -5.485 -1.825 1.00 0.00 C ATOM 7 SD MET A 1 -21.532 -4.736 -2.801 1.00 0.00 S ATOM 8 CE MET A 1 -22.744 -6.057 -2.801 1.00 0.00 C ATOM 0 H1 MET A 1 -20.493 -5.364 -4.456 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.316 -5.671 -5.641 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.391 -6.900 -5.173 1.00 0.00 H new ATOM 0 HA MET A 1 -18.164 -5.712 -3.647 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.429 -7.458 -2.621 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.928 -7.201 -1.754 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.585 -5.729 -0.833 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.407 -4.754 -1.689 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.720 -5.655 -3.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.452 -6.819 -3.523 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.798 -6.501 -1.807 1.00 0.00 H new ATOM 20 N ASP A 2 -16.982 -7.618 -4.762 1.00 0.00 N ATOM 21 CA ASP A 2 -16.207 -8.750 -5.242 1.00 0.00 C ATOM 22 C ASP A 2 -15.241 -9.223 -4.171 1.00 0.00 C ATOM 23 O ASP A 2 -14.257 -8.547 -3.856 1.00 0.00 O ATOM 24 CB ASP A 2 -15.453 -8.392 -6.523 1.00 0.00 C ATOM 25 CG ASP A 2 -16.350 -8.417 -7.742 1.00 0.00 C ATOM 26 OD1 ASP A 2 -17.121 -7.456 -7.946 1.00 0.00 O ATOM 27 OD2 ASP A 2 -16.288 -9.404 -8.506 1.00 0.00 O ATOM 0 H ASP A 2 -16.528 -6.713 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.897 -9.562 -5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.013 -7.400 -6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.630 -9.092 -6.666 1.00 0.00 H new ATOM 32 N GLU A 3 -15.544 -10.386 -3.610 1.00 0.00 N ATOM 33 CA GLU A 3 -14.778 -10.948 -2.503 1.00 0.00 C ATOM 34 C GLU A 3 -13.308 -11.097 -2.867 1.00 0.00 C ATOM 35 O GLU A 3 -12.969 -11.741 -3.865 1.00 0.00 O ATOM 36 CB GLU A 3 -15.361 -12.303 -2.114 1.00 0.00 C ATOM 37 CG GLU A 3 -16.848 -12.252 -1.813 1.00 0.00 C ATOM 38 CD GLU A 3 -17.452 -13.627 -1.668 1.00 0.00 C ATOM 39 OE1 GLU A 3 -17.508 -14.362 -2.675 1.00 0.00 O ATOM 40 OE2 GLU A 3 -17.886 -13.978 -0.556 1.00 0.00 O ATOM 0 H GLU A 3 -16.327 -10.967 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.845 -10.264 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.185 -13.012 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.833 -12.680 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.011 -11.688 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.360 -11.716 -2.612 1.00 0.00 H new ATOM 47 N LEU A 4 -12.453 -10.468 -2.059 1.00 0.00 N ATOM 48 CA LEU A 4 -10.999 -10.512 -2.221 1.00 0.00 C ATOM 49 C LEU A 4 -10.519 -9.728 -3.445 1.00 0.00 C ATOM 50 O LEU A 4 -9.561 -8.966 -3.352 1.00 0.00 O ATOM 51 CB LEU A 4 -10.495 -11.962 -2.296 1.00 0.00 C ATOM 52 CG LEU A 4 -10.756 -12.813 -1.050 1.00 0.00 C ATOM 53 CD1 LEU A 4 -10.289 -14.243 -1.278 1.00 0.00 C ATOM 54 CD2 LEU A 4 -10.057 -12.210 0.159 1.00 0.00 C ATOM 0 H LEU A 4 -12.755 -9.906 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.578 -10.032 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.964 -12.448 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.422 -11.946 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.829 -12.827 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.481 -14.836 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.830 -14.672 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.220 -14.247 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.252 -12.826 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.983 -12.169 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.434 -11.202 0.332 1.00 0.00 H new ATOM 66 N ARG A 5 -11.199 -9.893 -4.571 1.00 0.00 N ATOM 67 CA ARG A 5 -10.726 -9.369 -5.847 1.00 0.00 C ATOM 68 C ARG A 5 -10.529 -7.850 -5.809 1.00 0.00 C ATOM 69 O ARG A 5 -9.465 -7.357 -6.180 1.00 0.00 O ATOM 70 CB ARG A 5 -11.708 -9.761 -6.959 1.00 0.00 C ATOM 71 CG ARG A 5 -11.112 -9.751 -8.364 1.00 0.00 C ATOM 72 CD ARG A 5 -11.017 -8.349 -8.944 1.00 0.00 C ATOM 73 NE ARG A 5 -10.284 -8.335 -10.207 1.00 0.00 N ATOM 74 CZ ARG A 5 -10.831 -8.052 -11.388 1.00 0.00 C ATOM 75 NH1 ARG A 5 -12.130 -7.797 -11.490 1.00 0.00 N ATOM 76 NH2 ARG A 5 -10.073 -8.052 -12.475 1.00 0.00 N ATOM 0 H ARG A 5 -12.088 -10.390 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.750 -9.809 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.095 -10.758 -6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.557 -9.078 -6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.118 -10.198 -8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.723 -10.372 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.020 -7.951 -9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.522 -7.692 -8.229 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.289 -8.556 -10.183 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.720 -7.817 -10.658 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.538 -7.582 -12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.079 -8.268 -12.403 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.484 -7.836 -13.383 1.00 0.00 H new ATOM 90 N GLU A 6 -11.539 -7.110 -5.362 1.00 0.00 N ATOM 91 CA GLU A 6 -11.422 -5.655 -5.310 1.00 0.00 C ATOM 92 C GLU A 6 -10.481 -5.207 -4.189 1.00 0.00 C ATOM 93 O GLU A 6 -9.741 -4.237 -4.345 1.00 0.00 O ATOM 94 CB GLU A 6 -12.797 -4.982 -5.190 1.00 0.00 C ATOM 95 CG GLU A 6 -13.619 -5.397 -3.984 1.00 0.00 C ATOM 96 CD GLU A 6 -14.958 -4.685 -3.948 1.00 0.00 C ATOM 97 OE1 GLU A 6 -15.923 -5.195 -4.552 1.00 0.00 O ATOM 98 OE2 GLU A 6 -15.047 -3.597 -3.346 1.00 0.00 O ATOM 0 H GLU A 6 -12.431 -7.483 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.983 -5.332 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.653 -3.902 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.370 -5.200 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.780 -6.475 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.065 -5.176 -3.072 1.00 0.00 H new ATOM 105 N LEU A 7 -10.491 -5.930 -3.072 1.00 0.00 N ATOM 106 CA LEU A 7 -9.668 -5.568 -1.917 1.00 0.00 C ATOM 107 C LEU A 7 -8.184 -5.768 -2.214 1.00 0.00 C ATOM 108 O LEU A 7 -7.359 -4.914 -1.889 1.00 0.00 O ATOM 109 CB LEU A 7 -10.052 -6.393 -0.678 1.00 0.00 C ATOM 110 CG LEU A 7 -11.413 -6.075 -0.045 1.00 0.00 C ATOM 111 CD1 LEU A 7 -12.554 -6.646 -0.876 1.00 0.00 C ATOM 112 CD2 LEU A 7 -11.469 -6.605 1.382 1.00 0.00 C ATOM 0 H LEU A 7 -11.058 -6.768 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.852 -4.513 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.040 -7.448 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.281 -6.252 0.079 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.531 -4.992 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.505 -6.404 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.527 -6.214 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.448 -7.729 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.440 -6.372 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.324 -7.685 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.683 -6.137 1.975 1.00 0.00 H new ATOM 124 N LEU A 8 -7.856 -6.885 -2.855 1.00 0.00 N ATOM 125 CA LEU A 8 -6.473 -7.201 -3.192 1.00 0.00 C ATOM 126 C LEU A 8 -5.914 -6.198 -4.184 1.00 0.00 C ATOM 127 O LEU A 8 -4.737 -5.849 -4.130 1.00 0.00 O ATOM 128 CB LEU A 8 -6.374 -8.611 -3.781 1.00 0.00 C ATOM 129 CG LEU A 8 -6.491 -9.757 -2.776 1.00 0.00 C ATOM 130 CD1 LEU A 8 -6.673 -11.083 -3.501 1.00 0.00 C ATOM 131 CD2 LEU A 8 -5.259 -9.811 -1.884 1.00 0.00 C ATOM 0 H LEU A 8 -8.532 -7.589 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.887 -7.152 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.157 -8.728 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.420 -8.702 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.366 -9.578 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.755 -11.888 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.580 -11.046 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.815 -11.265 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.359 -10.633 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.372 -9.968 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.162 -8.872 -1.340 1.00 0.00 H new ATOM 143 N LYS A 9 -6.778 -5.715 -5.068 1.00 0.00 N ATOM 144 CA LYS A 9 -6.364 -4.850 -6.163 1.00 0.00 C ATOM 145 C LYS A 9 -5.689 -3.584 -5.651 1.00 0.00 C ATOM 146 O LYS A 9 -4.716 -3.126 -6.235 1.00 0.00 O ATOM 147 CB LYS A 9 -7.571 -4.482 -7.027 1.00 0.00 C ATOM 148 CG LYS A 9 -7.204 -3.746 -8.304 1.00 0.00 C ATOM 149 CD LYS A 9 -8.441 -3.265 -9.048 1.00 0.00 C ATOM 150 CE LYS A 9 -8.076 -2.615 -10.372 1.00 0.00 C ATOM 151 NZ LYS A 9 -7.558 -3.606 -11.352 1.00 0.00 N ATOM 0 H LYS A 9 -7.779 -5.911 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.639 -5.399 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.113 -5.392 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.250 -3.861 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.569 -2.893 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.623 -4.404 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.110 -4.107 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.985 -2.552 -8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.953 -2.119 -10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.324 -1.844 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.497 -3.165 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.613 -3.925 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.201 -4.422 -11.394 1.00 0.00 H new ATOM 165 N ALA A 10 -6.191 -3.035 -4.554 1.00 0.00 N ATOM 166 CA ALA A 10 -5.645 -1.793 -4.009 1.00 0.00 C ATOM 167 C ALA A 10 -4.226 -1.989 -3.479 1.00 0.00 C ATOM 168 O ALA A 10 -3.337 -1.184 -3.763 1.00 0.00 O ATOM 169 CB ALA A 10 -6.550 -1.250 -2.916 1.00 0.00 C ATOM 0 H ALA A 10 -6.971 -3.424 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.598 -1.067 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.129 -0.325 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.539 -1.051 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.632 -1.983 -2.114 1.00 0.00 H new ATOM 175 N GLU A 11 -4.019 -3.058 -2.715 1.00 0.00 N ATOM 176 CA GLU A 11 -2.697 -3.373 -2.178 1.00 0.00 C ATOM 177 C GLU A 11 -1.728 -3.686 -3.324 1.00 0.00 C ATOM 178 O GLU A 11 -0.558 -3.301 -3.289 1.00 0.00 O ATOM 179 CB GLU A 11 -2.793 -4.558 -1.202 1.00 0.00 C ATOM 180 CG GLU A 11 -1.480 -4.926 -0.518 1.00 0.00 C ATOM 181 CD GLU A 11 -0.975 -3.865 0.447 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.694 -2.737 0.042 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.808 -4.150 1.647 1.00 0.00 O ATOM 0 H GLU A 11 -4.749 -3.721 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.316 -2.510 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.532 -4.322 -0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.162 -5.429 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.613 -5.863 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.721 -5.103 -1.280 1.00 0.00 H new ATOM 190 N GLN A 12 -2.239 -4.366 -4.349 1.00 0.00 N ATOM 191 CA GLN A 12 -1.457 -4.677 -5.540 1.00 0.00 C ATOM 192 C GLN A 12 -1.102 -3.400 -6.306 1.00 0.00 C ATOM 193 O GLN A 12 0.032 -3.225 -6.760 1.00 0.00 O ATOM 194 CB GLN A 12 -2.245 -5.626 -6.450 1.00 0.00 C ATOM 195 CG GLN A 12 -2.570 -6.972 -5.816 1.00 0.00 C ATOM 196 CD GLN A 12 -1.340 -7.767 -5.427 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.287 -7.660 -6.056 1.00 0.00 O ATOM 198 NE2 GLN A 12 -1.473 -8.585 -4.397 1.00 0.00 N ATOM 0 H GLN A 12 -3.198 -4.713 -4.376 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.532 -5.161 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.176 -5.141 -6.743 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.673 -5.795 -7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.183 -6.809 -4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.167 -7.559 -6.514 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.364 -8.643 -3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.685 -9.158 -4.096 1.00 0.00 H new ATOM 207 N GLN A 13 -2.083 -2.511 -6.438 1.00 0.00 N ATOM 208 CA GLN A 13 -1.913 -1.257 -7.146 1.00 0.00 C ATOM 209 C GLN A 13 -0.864 -0.378 -6.480 1.00 0.00 C ATOM 210 O GLN A 13 -0.044 0.239 -7.161 1.00 0.00 O ATOM 211 CB GLN A 13 -3.251 -0.521 -7.213 1.00 0.00 C ATOM 212 CG GLN A 13 -4.170 -0.990 -8.336 1.00 0.00 C ATOM 213 CD GLN A 13 -3.622 -0.703 -9.725 1.00 0.00 C ATOM 214 OE1 GLN A 13 -2.412 -0.678 -9.947 1.00 0.00 O ATOM 215 NE2 GLN A 13 -4.514 -0.462 -10.671 1.00 0.00 N ATOM 0 H GLN A 13 -3.018 -2.646 -6.054 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.566 -1.479 -8.155 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.768 -0.644 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.060 0.545 -7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.338 -2.062 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.140 -0.504 -8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.510 -0.491 -10.452 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.206 -0.247 -11.619 1.00 0.00 H new ATOM 224 N GLY A 14 -0.886 -0.338 -5.151 1.00 0.00 N ATOM 225 CA GLY A 14 0.080 0.458 -4.418 1.00 0.00 C ATOM 226 C GLY A 14 1.506 0.041 -4.721 1.00 0.00 C ATOM 227 O GLY A 14 2.358 0.882 -5.002 1.00 0.00 O ATOM 0 H GLY A 14 -1.555 -0.842 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.051 1.510 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.107 0.361 -3.349 1.00 0.00 H new ATOM 231 N ILE A 15 1.748 -1.266 -4.701 1.00 0.00 N ATOM 232 CA ILE A 15 3.066 -1.813 -5.008 1.00 0.00 C ATOM 233 C ILE A 15 3.481 -1.458 -6.433 1.00 0.00 C ATOM 234 O ILE A 15 4.631 -1.091 -6.683 1.00 0.00 O ATOM 235 CB ILE A 15 3.084 -3.347 -4.847 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.715 -3.730 -3.413 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.449 -3.914 -5.222 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.665 -5.223 -3.176 1.00 0.00 C ATOM 0 H ILE A 15 1.045 -1.969 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 15 3.771 -1.372 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 15 2.344 -3.776 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.440 -3.287 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.743 -3.300 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.439 -4.997 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.673 -3.667 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.212 -3.484 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.397 -5.418 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.920 -5.671 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.642 -5.658 -3.386 1.00 0.00 H new ATOM 250 N LYS A 16 2.534 -1.562 -7.359 1.00 0.00 N ATOM 251 CA LYS A 16 2.788 -1.225 -8.751 1.00 0.00 C ATOM 252 C LYS A 16 3.254 0.220 -8.878 1.00 0.00 C ATOM 253 O LYS A 16 4.247 0.503 -9.548 1.00 0.00 O ATOM 254 CB LYS A 16 1.527 -1.430 -9.589 1.00 0.00 C ATOM 255 CG LYS A 16 1.698 -1.019 -11.042 1.00 0.00 C ATOM 256 CD LYS A 16 0.379 -1.035 -11.786 1.00 0.00 C ATOM 257 CE LYS A 16 0.515 -0.395 -13.156 1.00 0.00 C ATOM 258 NZ LYS A 16 -0.791 -0.298 -13.853 1.00 0.00 N ATOM 0 H LYS A 16 1.583 -1.878 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 16 3.574 -1.885 -9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.238 -2.480 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.710 -0.857 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.131 -0.020 -11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.400 -1.694 -11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.032 -2.063 -11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.375 -0.503 -11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.945 0.601 -13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.208 -0.979 -13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.655 0.144 -14.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.190 -1.250 -13.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.444 0.280 -13.287 1.00 0.00 H new ATOM 272 N ILE A 17 2.538 1.122 -8.214 1.00 0.00 N ATOM 273 CA ILE A 17 2.872 2.538 -8.253 1.00 0.00 C ATOM 274 C ILE A 17 4.244 2.779 -7.632 1.00 0.00 C ATOM 275 O ILE A 17 5.037 3.561 -8.150 1.00 0.00 O ATOM 276 CB ILE A 17 1.813 3.393 -7.521 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.432 3.169 -8.145 1.00 0.00 C ATOM 278 CG2 ILE A 17 2.186 4.870 -7.574 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.688 3.895 -7.428 1.00 0.00 C ATOM 0 H ILE A 17 1.723 0.896 -7.643 1.00 0.00 H new ATOM 0 HA ILE A 17 2.889 2.840 -9.300 1.00 0.00 H new ATOM 0 HB ILE A 17 1.781 3.085 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.456 3.495 -9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.215 2.101 -8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.428 5.456 -7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.153 5.019 -7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.244 5.194 -8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.634 3.688 -7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.741 3.552 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.496 4.968 -7.445 1.00 0.00 H new ATOM 291 N LEU A 18 4.532 2.065 -6.548 1.00 0.00 N ATOM 292 CA LEU A 18 5.799 2.209 -5.835 1.00 0.00 C ATOM 293 C LEU A 18 6.990 1.961 -6.763 1.00 0.00 C ATOM 294 O LEU A 18 7.997 2.668 -6.691 1.00 0.00 O ATOM 295 CB LEU A 18 5.854 1.240 -4.648 1.00 0.00 C ATOM 296 CG LEU A 18 4.862 1.524 -3.518 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.928 0.426 -2.469 1.00 0.00 C ATOM 298 CD2 LEU A 18 5.133 2.884 -2.887 1.00 0.00 C ATOM 0 H LEU A 18 3.900 1.375 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 18 5.860 3.233 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.677 0.230 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.863 1.256 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 18 3.857 1.542 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.217 0.642 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.680 -0.531 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.935 0.379 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.415 3.063 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.144 2.901 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.034 3.662 -3.644 1.00 0.00 H new ATOM 310 N LYS A 19 6.861 0.974 -7.645 1.00 0.00 N ATOM 311 CA LYS A 19 7.924 0.647 -8.595 1.00 0.00 C ATOM 312 C LYS A 19 8.211 1.833 -9.507 1.00 0.00 C ATOM 313 O LYS A 19 9.364 2.199 -9.736 1.00 0.00 O ATOM 314 CB LYS A 19 7.535 -0.557 -9.454 1.00 0.00 C ATOM 315 CG LYS A 19 7.136 -1.789 -8.663 1.00 0.00 C ATOM 316 CD LYS A 19 6.783 -2.940 -9.591 1.00 0.00 C ATOM 317 CE LYS A 19 5.663 -2.561 -10.549 1.00 0.00 C ATOM 318 NZ LYS A 19 5.420 -3.620 -11.563 1.00 0.00 N ATOM 0 H LYS A 19 6.031 0.386 -7.723 1.00 0.00 H new ATOM 0 HA LYS A 19 8.817 0.405 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.706 -0.273 -10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.374 -0.812 -10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.954 -2.084 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.283 -1.556 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.665 -3.234 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.481 -3.805 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.748 -2.381 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.916 -1.628 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.650 -3.324 -12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.286 -3.774 -12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.154 -4.504 -11.085 1.00 0.00 H new ATOM 332 N GLU A 20 7.148 2.434 -10.016 1.00 0.00 N ATOM 333 CA GLU A 20 7.263 3.547 -10.945 1.00 0.00 C ATOM 334 C GLU A 20 7.689 4.826 -10.238 1.00 0.00 C ATOM 335 O GLU A 20 8.371 5.659 -10.823 1.00 0.00 O ATOM 336 CB GLU A 20 5.955 3.746 -11.705 1.00 0.00 C ATOM 337 CG GLU A 20 5.970 3.125 -13.096 1.00 0.00 C ATOM 338 CD GLU A 20 6.589 1.740 -13.119 1.00 0.00 C ATOM 339 OE1 GLU A 20 7.831 1.639 -13.262 1.00 0.00 O ATOM 340 OE2 GLU A 20 5.844 0.745 -13.014 1.00 0.00 O ATOM 0 H GLU A 20 6.188 2.167 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 20 8.044 3.303 -11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.138 3.312 -11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.752 4.813 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.949 3.067 -13.473 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.524 3.776 -13.773 1.00 0.00 H new ATOM 347 N VAL A 21 7.278 4.983 -8.990 1.00 0.00 N ATOM 348 CA VAL A 21 7.665 6.149 -8.208 1.00 0.00 C ATOM 349 C VAL A 21 9.184 6.238 -8.064 1.00 0.00 C ATOM 350 O VAL A 21 9.774 7.284 -8.335 1.00 0.00 O ATOM 351 CB VAL A 21 7.009 6.135 -6.811 1.00 0.00 C ATOM 352 CG1 VAL A 21 7.578 7.233 -5.931 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.508 6.302 -6.943 1.00 0.00 C ATOM 0 H VAL A 21 6.679 4.321 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 21 7.311 7.027 -8.748 1.00 0.00 H new ATOM 0 HB VAL A 21 7.226 5.175 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.098 7.200 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.652 7.086 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.393 8.203 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.052 6.291 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.289 7.251 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.102 5.484 -7.538 1.00 0.00 H new ATOM 363 N LEU A 22 9.817 5.140 -7.663 1.00 0.00 N ATOM 364 CA LEU A 22 11.275 5.109 -7.557 1.00 0.00 C ATOM 365 C LEU A 22 11.898 5.229 -8.949 1.00 0.00 C ATOM 366 O LEU A 22 12.959 5.832 -9.127 1.00 0.00 O ATOM 367 CB LEU A 22 11.756 3.840 -6.820 1.00 0.00 C ATOM 368 CG LEU A 22 11.467 2.494 -7.499 1.00 0.00 C ATOM 369 CD1 LEU A 22 12.597 2.103 -8.447 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.252 1.409 -6.453 1.00 0.00 C ATOM 0 H LEU A 22 9.352 4.269 -7.408 1.00 0.00 H new ATOM 0 HA LEU A 22 11.603 5.961 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.833 3.921 -6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.298 3.827 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 22 10.555 2.601 -8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.365 1.146 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.705 2.866 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.528 2.018 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.048 0.460 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.148 1.312 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.406 1.676 -5.820 1.00 0.00 H new ATOM 382 N LYS A 23 11.213 4.651 -9.930 1.00 0.00 N ATOM 383 CA LYS A 23 11.647 4.692 -11.320 1.00 0.00 C ATOM 384 C LYS A 23 11.711 6.138 -11.817 1.00 0.00 C ATOM 385 O LYS A 23 12.710 6.567 -12.404 1.00 0.00 O ATOM 386 CB LYS A 23 10.662 3.898 -12.185 1.00 0.00 C ATOM 387 CG LYS A 23 11.292 3.196 -13.375 1.00 0.00 C ATOM 388 CD LYS A 23 12.144 2.015 -12.935 1.00 0.00 C ATOM 389 CE LYS A 23 11.335 0.999 -12.137 1.00 0.00 C ATOM 390 NZ LYS A 23 10.172 0.468 -12.905 1.00 0.00 N ATOM 0 H LYS A 23 10.342 4.141 -9.783 1.00 0.00 H new ATOM 0 HA LYS A 23 12.641 4.251 -11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.168 3.154 -11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.888 4.575 -12.547 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.510 2.851 -14.051 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.907 3.903 -13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.573 1.530 -13.812 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.976 2.373 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.982 0.172 -11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.978 1.464 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.947 -0.492 -12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.349 1.086 -12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.409 0.439 -13.917 1.00 0.00 H new ATOM 404 N LYS A 24 10.650 6.886 -11.545 1.00 0.00 N ATOM 405 CA LYS A 24 10.519 8.252 -12.031 1.00 0.00 C ATOM 406 C LYS A 24 11.358 9.210 -11.192 1.00 0.00 C ATOM 407 O LYS A 24 11.710 10.300 -11.646 1.00 0.00 O ATOM 408 CB LYS A 24 9.049 8.683 -12.002 1.00 0.00 C ATOM 409 CG LYS A 24 8.700 9.723 -13.053 1.00 0.00 C ATOM 410 CD LYS A 24 8.886 9.161 -14.448 1.00 0.00 C ATOM 411 CE LYS A 24 8.574 10.190 -15.521 1.00 0.00 C ATOM 412 NZ LYS A 24 8.829 9.651 -16.884 1.00 0.00 N ATOM 0 H LYS A 24 9.861 6.565 -10.985 1.00 0.00 H new ATOM 0 HA LYS A 24 10.882 8.285 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.419 7.806 -12.148 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.816 9.083 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.668 10.048 -12.921 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.330 10.603 -12.924 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.913 8.814 -14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.240 8.293 -14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.531 10.498 -15.439 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.182 11.080 -15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.376 10.265 -17.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.854 9.619 -17.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.435 8.691 -16.957 1.00 0.00 H new ATOM 426 N ALA A 25 11.667 8.802 -9.967 1.00 0.00 N ATOM 427 CA ALA A 25 12.515 9.597 -9.089 1.00 0.00 C ATOM 428 C ALA A 25 13.922 9.713 -9.667 1.00 0.00 C ATOM 429 O ALA A 25 14.568 10.753 -9.549 1.00 0.00 O ATOM 430 CB ALA A 25 12.559 8.992 -7.694 1.00 0.00 C ATOM 0 H ALA A 25 11.343 7.925 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 25 12.089 10.598 -9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.198 9.600 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.552 8.962 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.959 7.980 -7.749 1.00 0.00 H new ATOM 436 N LYS A 26 14.382 8.643 -10.301 1.00 0.00 N ATOM 437 CA LYS A 26 15.689 8.638 -10.948 1.00 0.00 C ATOM 438 C LYS A 26 15.663 9.496 -12.208 1.00 0.00 C ATOM 439 O LYS A 26 16.687 10.039 -12.627 1.00 0.00 O ATOM 440 CB LYS A 26 16.114 7.209 -11.293 1.00 0.00 C ATOM 441 CG LYS A 26 16.321 6.320 -10.076 1.00 0.00 C ATOM 442 CD LYS A 26 16.805 4.936 -10.477 1.00 0.00 C ATOM 443 CE LYS A 26 17.034 4.055 -9.261 1.00 0.00 C ATOM 444 NZ LYS A 26 17.556 2.714 -9.636 1.00 0.00 N ATOM 0 H LYS A 26 13.869 7.765 -10.382 1.00 0.00 H new ATOM 0 HA LYS A 26 16.416 9.058 -10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.357 6.760 -11.935 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.039 7.244 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.047 6.781 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.386 6.234 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.071 4.469 -11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.731 5.023 -11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.738 4.543 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.098 3.940 -8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.698 2.144 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.873 2.237 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.462 2.821 -10.135 1.00 0.00 H new ATOM 458 N GLU A 27 14.486 9.611 -12.810 1.00 0.00 N ATOM 459 CA GLU A 27 14.302 10.464 -13.976 1.00 0.00 C ATOM 460 C GLU A 27 14.298 11.932 -13.556 1.00 0.00 C ATOM 461 O GLU A 27 14.916 12.777 -14.205 1.00 0.00 O ATOM 462 CB GLU A 27 13.018 10.087 -14.714 1.00 0.00 C ATOM 463 CG GLU A 27 13.114 8.730 -15.400 1.00 0.00 C ATOM 464 CD GLU A 27 11.847 8.335 -16.125 1.00 0.00 C ATOM 465 OE1 GLU A 27 11.469 9.027 -17.095 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.218 7.331 -15.733 1.00 0.00 O ATOM 0 H GLU A 27 13.643 9.123 -12.509 1.00 0.00 H new ATOM 0 HA GLU A 27 15.134 10.314 -14.664 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.188 10.075 -14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.793 10.851 -15.458 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.940 8.748 -16.110 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.350 7.970 -14.655 1.00 0.00 H new ATOM 473 N GLY A 28 13.604 12.226 -12.462 1.00 0.00 N ATOM 474 CA GLY A 28 13.706 13.537 -11.851 1.00 0.00 C ATOM 475 C GLY A 28 12.632 14.515 -12.287 1.00 0.00 C ATOM 476 O GLY A 28 12.912 15.704 -12.462 1.00 0.00 O ATOM 0 H GLY A 28 12.973 11.580 -11.988 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.660 13.424 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.683 13.960 -12.087 1.00 0.00 H new ATOM 480 N ASP A 29 11.407 14.038 -12.474 1.00 0.00 N ATOM 481 CA ASP A 29 10.289 14.943 -12.735 1.00 0.00 C ATOM 482 C ASP A 29 9.539 15.211 -11.437 1.00 0.00 C ATOM 483 O ASP A 29 8.827 14.342 -10.933 1.00 0.00 O ATOM 484 CB ASP A 29 9.330 14.380 -13.789 1.00 0.00 C ATOM 485 CG ASP A 29 8.346 15.426 -14.295 1.00 0.00 C ATOM 486 OD1 ASP A 29 7.629 16.031 -13.474 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.279 15.644 -15.525 1.00 0.00 O ATOM 0 H ASP A 29 11.163 13.048 -12.451 1.00 0.00 H new ATOM 0 HA ASP A 29 10.695 15.874 -13.129 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.905 13.990 -14.629 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.778 13.542 -13.364 1.00 0.00 H new ATOM 492 N GLU A 30 9.716 16.409 -10.895 1.00 0.00 N ATOM 493 CA GLU A 30 9.131 16.767 -9.605 1.00 0.00 C ATOM 494 C GLU A 30 7.609 16.830 -9.680 1.00 0.00 C ATOM 495 O GLU A 30 6.919 16.409 -8.750 1.00 0.00 O ATOM 496 CB GLU A 30 9.685 18.110 -9.133 1.00 0.00 C ATOM 497 CG GLU A 30 11.196 18.131 -8.978 1.00 0.00 C ATOM 498 CD GLU A 30 11.713 19.499 -8.592 1.00 0.00 C ATOM 499 OE1 GLU A 30 11.772 19.799 -7.379 1.00 0.00 O ATOM 500 OE2 GLU A 30 12.064 20.282 -9.498 1.00 0.00 O ATOM 0 H GLU A 30 10.262 17.153 -11.329 1.00 0.00 H new ATOM 0 HA GLU A 30 9.401 15.991 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.391 18.883 -9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.228 18.365 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.492 17.406 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.660 17.820 -9.914 1.00 0.00 H new ATOM 507 N GLN A 31 7.086 17.345 -10.788 1.00 0.00 N ATOM 508 CA GLN A 31 5.649 17.452 -10.972 1.00 0.00 C ATOM 509 C GLN A 31 5.008 16.073 -11.001 1.00 0.00 C ATOM 510 O GLN A 31 3.969 15.846 -10.376 1.00 0.00 O ATOM 511 CB GLN A 31 5.340 18.196 -12.266 1.00 0.00 C ATOM 512 CG GLN A 31 5.641 19.683 -12.203 1.00 0.00 C ATOM 513 CD GLN A 31 5.309 20.400 -13.497 1.00 0.00 C ATOM 514 OE1 GLN A 31 4.414 19.993 -14.239 1.00 0.00 O ATOM 515 NE2 GLN A 31 6.023 21.478 -13.772 1.00 0.00 N ATOM 0 H GLN A 31 7.639 17.694 -11.571 1.00 0.00 H new ATOM 0 HA GLN A 31 5.235 18.010 -10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.917 17.752 -13.077 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.287 18.058 -12.511 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.073 20.131 -11.388 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.697 19.827 -11.973 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.756 21.782 -13.131 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.841 22.006 -14.626 1.00 0.00 H new ATOM 524 N GLU A 32 5.636 15.157 -11.727 1.00 0.00 N ATOM 525 CA GLU A 32 5.173 13.779 -11.784 1.00 0.00 C ATOM 526 C GLU A 32 5.287 13.136 -10.406 1.00 0.00 C ATOM 527 O GLU A 32 4.339 12.523 -9.916 1.00 0.00 O ATOM 528 CB GLU A 32 5.984 12.983 -12.813 1.00 0.00 C ATOM 529 CG GLU A 32 5.477 11.566 -13.028 1.00 0.00 C ATOM 530 CD GLU A 32 4.097 11.529 -13.654 1.00 0.00 C ATOM 531 OE1 GLU A 32 3.106 11.781 -12.940 1.00 0.00 O ATOM 532 OE2 GLU A 32 3.997 11.250 -14.868 1.00 0.00 O ATOM 0 H GLU A 32 6.469 15.345 -12.285 1.00 0.00 H new ATOM 0 HA GLU A 32 4.127 13.772 -12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.967 13.514 -13.765 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.024 12.942 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.176 11.027 -13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.452 11.044 -12.071 1.00 0.00 H new ATOM 539 N LEU A 33 6.443 13.320 -9.772 1.00 0.00 N ATOM 540 CA LEU A 33 6.705 12.759 -8.448 1.00 0.00 C ATOM 541 C LEU A 33 5.666 13.210 -7.425 1.00 0.00 C ATOM 542 O LEU A 33 5.220 12.414 -6.597 1.00 0.00 O ATOM 543 CB LEU A 33 8.110 13.142 -7.973 1.00 0.00 C ATOM 544 CG LEU A 33 9.241 12.302 -8.562 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.588 12.784 -8.045 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.034 10.831 -8.232 1.00 0.00 C ATOM 0 H LEU A 33 7.219 13.858 -10.158 1.00 0.00 H new ATOM 0 HA LEU A 33 6.638 11.675 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.288 14.189 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.145 13.061 -6.887 1.00 0.00 H new ATOM 0 HG LEU A 33 9.231 12.417 -9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.382 12.174 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.736 13.826 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.613 12.698 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.848 10.244 -8.658 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.020 10.699 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.086 10.494 -8.651 1.00 0.00 H new ATOM 558 N ALA A 34 5.281 14.478 -7.488 1.00 0.00 N ATOM 559 CA ALA A 34 4.277 15.018 -6.580 1.00 0.00 C ATOM 560 C ALA A 34 2.930 14.326 -6.780 1.00 0.00 C ATOM 561 O ALA A 34 2.273 13.935 -5.814 1.00 0.00 O ATOM 562 CB ALA A 34 4.143 16.521 -6.777 1.00 0.00 C ATOM 0 H ALA A 34 5.649 15.152 -8.159 1.00 0.00 H new ATOM 0 HA ALA A 34 4.602 14.828 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.390 16.912 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.101 17.001 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.842 16.728 -7.804 1.00 0.00 H new ATOM 568 N ARG A 35 2.532 14.165 -8.037 1.00 0.00 N ATOM 569 CA ARG A 35 1.292 13.499 -8.370 1.00 0.00 C ATOM 570 C ARG A 35 1.345 12.022 -7.994 1.00 0.00 C ATOM 571 O ARG A 35 0.373 11.478 -7.481 1.00 0.00 O ATOM 572 CB ARG A 35 1.022 13.644 -9.864 1.00 0.00 C ATOM 573 CG ARG A 35 -0.370 13.212 -10.251 1.00 0.00 C ATOM 574 CD ARG A 35 -0.621 13.373 -11.740 1.00 0.00 C ATOM 575 NE ARG A 35 0.325 12.601 -12.549 1.00 0.00 N ATOM 576 CZ ARG A 35 -0.016 11.892 -13.626 1.00 0.00 C ATOM 577 NH1 ARG A 35 -1.293 11.770 -13.977 1.00 0.00 N ATOM 578 NH2 ARG A 35 0.920 11.277 -14.326 1.00 0.00 N ATOM 0 H ARG A 35 3.061 14.493 -8.845 1.00 0.00 H new ATOM 0 HA ARG A 35 0.486 13.965 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.169 14.684 -10.156 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.749 13.051 -10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.518 12.170 -9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.100 13.800 -9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.638 13.055 -11.971 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.548 14.427 -12.007 1.00 0.00 H new ATOM 0 HE ARG A 35 1.306 12.606 -12.271 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.020 12.220 -13.421 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.545 11.226 -14.802 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.897 11.346 -14.042 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.666 10.733 -15.151 1.00 0.00 H new ATOM 592 N LEU A 36 2.478 11.376 -8.259 1.00 0.00 N ATOM 593 CA LEU A 36 2.655 9.968 -7.909 1.00 0.00 C ATOM 594 C LEU A 36 2.504 9.766 -6.407 1.00 0.00 C ATOM 595 O LEU A 36 1.812 8.852 -5.961 1.00 0.00 O ATOM 596 CB LEU A 36 4.025 9.463 -8.366 1.00 0.00 C ATOM 597 CG LEU A 36 4.259 9.473 -9.877 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.674 9.020 -10.191 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.244 8.587 -10.585 1.00 0.00 C ATOM 0 H LEU A 36 3.285 11.803 -8.713 1.00 0.00 H new ATOM 0 HA LEU A 36 1.882 9.395 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.794 10.073 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.157 8.444 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 36 4.130 10.493 -10.241 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.829 9.031 -11.270 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.386 9.694 -9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.824 8.009 -9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.429 8.609 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.338 7.564 -10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.238 8.953 -10.382 1.00 0.00 H new ATOM 611 N ASN A 37 3.142 10.640 -5.637 1.00 0.00 N ATOM 612 CA ASN A 37 3.060 10.599 -4.179 1.00 0.00 C ATOM 613 C ASN A 37 1.608 10.761 -3.725 1.00 0.00 C ATOM 614 O ASN A 37 1.135 10.048 -2.839 1.00 0.00 O ATOM 615 CB ASN A 37 3.932 11.711 -3.584 1.00 0.00 C ATOM 616 CG ASN A 37 4.020 11.667 -2.069 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.956 10.604 -1.454 1.00 0.00 O ATOM 618 ND2 ASN A 37 4.183 12.830 -1.458 1.00 0.00 N ATOM 0 H ASN A 37 3.727 11.392 -6.001 1.00 0.00 H new ATOM 0 HA ASN A 37 3.424 9.634 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.936 11.636 -4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.532 12.678 -3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.260 12.866 -0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.231 13.690 -2.004 1.00 0.00 H new ATOM 625 N GLN A 38 0.906 11.692 -4.365 1.00 0.00 N ATOM 626 CA GLN A 38 -0.500 11.944 -4.085 1.00 0.00 C ATOM 627 C GLN A 38 -1.372 10.755 -4.494 1.00 0.00 C ATOM 628 O GLN A 38 -2.354 10.429 -3.820 1.00 0.00 O ATOM 629 CB GLN A 38 -0.953 13.204 -4.827 1.00 0.00 C ATOM 630 CG GLN A 38 -0.492 14.504 -4.184 1.00 0.00 C ATOM 631 CD GLN A 38 -0.938 14.641 -2.739 1.00 0.00 C ATOM 632 OE1 GLN A 38 -1.964 14.090 -2.332 1.00 0.00 O ATOM 633 NE2 GLN A 38 -0.183 15.395 -1.958 1.00 0.00 N ATOM 0 H GLN A 38 1.298 12.291 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.614 12.089 -3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.579 13.165 -5.850 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.041 13.206 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.596 14.560 -4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.879 15.345 -4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.658 15.834 -2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.442 15.538 -0.982 1.00 0.00 H new ATOM 642 N GLU A 39 -1.005 10.117 -5.600 1.00 0.00 N ATOM 643 CA GLU A 39 -1.753 8.981 -6.125 1.00 0.00 C ATOM 644 C GLU A 39 -1.653 7.785 -5.181 1.00 0.00 C ATOM 645 O GLU A 39 -2.623 7.047 -4.993 1.00 0.00 O ATOM 646 CB GLU A 39 -1.238 8.604 -7.520 1.00 0.00 C ATOM 647 CG GLU A 39 -2.115 7.595 -8.248 1.00 0.00 C ATOM 648 CD GLU A 39 -3.482 8.154 -8.604 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.309 8.350 -7.692 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.747 8.380 -9.805 1.00 0.00 O ATOM 0 H GLU A 39 -0.187 10.370 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.802 9.268 -6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.161 9.507 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.231 8.196 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.611 7.272 -9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.240 6.711 -7.623 1.00 0.00 H new ATOM 657 N ILE A 40 -0.478 7.601 -4.583 1.00 0.00 N ATOM 658 CA ILE A 40 -0.274 6.535 -3.608 1.00 0.00 C ATOM 659 C ILE A 40 -1.274 6.667 -2.465 1.00 0.00 C ATOM 660 O ILE A 40 -1.924 5.695 -2.080 1.00 0.00 O ATOM 661 CB ILE A 40 1.160 6.554 -3.027 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.193 6.295 -4.127 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.303 5.521 -1.917 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.624 6.347 -3.636 1.00 0.00 C ATOM 0 H ILE A 40 0.346 8.176 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.423 5.589 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 40 1.342 7.543 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.004 5.317 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.062 7.033 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.318 5.550 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.596 5.745 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.097 4.528 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.301 6.155 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.831 7.333 -3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.772 5.591 -2.865 1.00 0.00 H new ATOM 676 N VAL A 41 -1.403 7.885 -1.955 1.00 0.00 N ATOM 677 CA VAL A 41 -2.324 8.179 -0.866 1.00 0.00 C ATOM 678 C VAL A 41 -3.737 7.720 -1.210 1.00 0.00 C ATOM 679 O VAL A 41 -4.385 7.044 -0.415 1.00 0.00 O ATOM 680 CB VAL A 41 -2.340 9.691 -0.545 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.337 10.003 0.564 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.947 10.171 -0.164 1.00 0.00 C ATOM 0 H VAL A 41 -0.874 8.693 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.975 7.634 0.011 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.656 10.224 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.328 11.073 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.336 9.702 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.060 9.457 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.978 11.238 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.602 9.627 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.262 9.993 -0.993 1.00 0.00 H new ATOM 692 N LYS A 42 -4.200 8.072 -2.405 1.00 0.00 N ATOM 693 CA LYS A 42 -5.540 7.695 -2.852 1.00 0.00 C ATOM 694 C LYS A 42 -5.693 6.182 -2.967 1.00 0.00 C ATOM 695 O LYS A 42 -6.691 5.617 -2.512 1.00 0.00 O ATOM 696 CB LYS A 42 -5.868 8.350 -4.193 1.00 0.00 C ATOM 697 CG LYS A 42 -6.449 9.746 -4.063 1.00 0.00 C ATOM 698 CD LYS A 42 -7.748 9.722 -3.273 1.00 0.00 C ATOM 699 CE LYS A 42 -8.428 11.079 -3.264 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.619 11.091 -2.373 1.00 0.00 N ATOM 0 H LYS A 42 -3.668 8.618 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.241 8.051 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.961 8.398 -4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.576 7.720 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.730 10.399 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.629 10.163 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.421 8.981 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.545 9.411 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.719 11.839 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.729 11.342 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.057 12.034 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.306 10.383 -2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.327 10.865 -1.401 1.00 0.00 H new ATOM 714 N ALA A 43 -4.705 5.536 -3.572 1.00 0.00 N ATOM 715 CA ALA A 43 -4.757 4.097 -3.794 1.00 0.00 C ATOM 716 C ALA A 43 -4.795 3.332 -2.476 1.00 0.00 C ATOM 717 O ALA A 43 -5.613 2.426 -2.295 1.00 0.00 O ATOM 718 CB ALA A 43 -3.571 3.649 -4.632 1.00 0.00 C ATOM 0 H ALA A 43 -3.857 5.986 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.677 3.875 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.623 2.572 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.593 4.158 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.645 3.895 -4.113 1.00 0.00 H new ATOM 724 N GLU A 44 -3.921 3.708 -1.552 1.00 0.00 N ATOM 725 CA GLU A 44 -3.839 3.027 -0.269 1.00 0.00 C ATOM 726 C GLU A 44 -5.063 3.353 0.587 1.00 0.00 C ATOM 727 O GLU A 44 -5.569 2.492 1.303 1.00 0.00 O ATOM 728 CB GLU A 44 -2.538 3.389 0.459 1.00 0.00 C ATOM 729 CG GLU A 44 -1.287 3.138 -0.376 1.00 0.00 C ATOM 730 CD GLU A 44 -0.156 2.513 0.419 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.229 3.031 1.469 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.366 1.462 0.016 1.00 0.00 O ATOM 0 H GLU A 44 -3.262 4.478 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.828 1.952 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.570 4.440 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.473 2.811 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.540 2.485 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.946 4.082 -0.801 1.00 0.00 H new ATOM 739 N LYS A 45 -5.555 4.590 0.483 1.00 0.00 N ATOM 740 CA LYS A 45 -6.773 5.000 1.190 1.00 0.00 C ATOM 741 C LYS A 45 -7.964 4.142 0.785 1.00 0.00 C ATOM 742 O LYS A 45 -8.777 3.753 1.627 1.00 0.00 O ATOM 743 CB LYS A 45 -7.099 6.471 0.911 1.00 0.00 C ATOM 744 CG LYS A 45 -6.609 7.427 1.981 1.00 0.00 C ATOM 745 CD LYS A 45 -7.370 7.226 3.278 1.00 0.00 C ATOM 746 CE LYS A 45 -6.895 8.183 4.360 1.00 0.00 C ATOM 747 NZ LYS A 45 -5.467 7.960 4.705 1.00 0.00 N ATOM 0 H LYS A 45 -5.130 5.325 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.585 4.866 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.658 6.755 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.179 6.580 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.544 7.272 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.731 8.455 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.435 7.375 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.244 6.199 3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.031 9.210 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.509 8.057 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.230 8.495 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.304 6.946 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.866 8.283 3.920 1.00 0.00 H new ATOM 761 N GLN A 46 -8.063 3.850 -0.508 1.00 0.00 N ATOM 762 CA GLN A 46 -9.153 3.036 -1.028 1.00 0.00 C ATOM 763 C GLN A 46 -9.079 1.636 -0.429 1.00 0.00 C ATOM 764 O GLN A 46 -10.099 1.055 -0.050 1.00 0.00 O ATOM 765 CB GLN A 46 -9.085 2.968 -2.556 1.00 0.00 C ATOM 766 CG GLN A 46 -10.349 2.423 -3.205 1.00 0.00 C ATOM 767 CD GLN A 46 -11.580 3.252 -2.877 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.489 4.460 -2.643 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.743 2.615 -2.869 1.00 0.00 N ATOM 0 H GLN A 46 -7.399 4.166 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.103 3.492 -0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.889 3.967 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.241 2.342 -2.845 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.214 2.393 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.509 1.396 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.778 1.615 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.602 3.125 -2.664 1.00 0.00 H new ATOM 778 N GLY A 47 -7.857 1.117 -0.322 1.00 0.00 N ATOM 779 CA GLY A 47 -7.645 -0.186 0.279 1.00 0.00 C ATOM 780 C GLY A 47 -8.026 -0.205 1.746 1.00 0.00 C ATOM 781 O GLY A 47 -8.637 -1.156 2.224 1.00 0.00 O ATOM 0 H GLY A 47 -7.007 1.580 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.231 -0.932 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.597 -0.468 0.173 1.00 0.00 H new ATOM 785 N VAL A 48 -7.669 0.854 2.460 1.00 0.00 N ATOM 786 CA VAL A 48 -8.009 0.979 3.875 1.00 0.00 C ATOM 787 C VAL A 48 -9.524 0.913 4.088 1.00 0.00 C ATOM 788 O VAL A 48 -10.004 0.170 4.945 1.00 0.00 O ATOM 789 CB VAL A 48 -7.464 2.296 4.476 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.915 2.471 5.922 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.947 2.339 4.384 1.00 0.00 C ATOM 0 H VAL A 48 -7.142 1.642 2.083 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.539 0.139 4.387 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.872 3.122 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.516 3.405 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.004 2.495 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.548 1.638 6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.583 3.273 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.525 1.499 4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.644 2.276 3.339 1.00 0.00 H new ATOM 801 N LYS A 49 -10.274 1.670 3.290 1.00 0.00 N ATOM 802 CA LYS A 49 -11.724 1.743 3.447 1.00 0.00 C ATOM 803 C LYS A 49 -12.385 0.385 3.205 1.00 0.00 C ATOM 804 O LYS A 49 -13.251 -0.036 3.977 1.00 0.00 O ATOM 805 CB LYS A 49 -12.320 2.780 2.492 1.00 0.00 C ATOM 806 CG LYS A 49 -13.796 3.047 2.743 1.00 0.00 C ATOM 807 CD LYS A 49 -14.429 3.835 1.609 1.00 0.00 C ATOM 808 CE LYS A 49 -15.909 4.070 1.861 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.608 4.534 0.636 1.00 0.00 N ATOM 0 H LYS A 49 -9.902 2.240 2.530 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.922 2.044 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.767 3.714 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.189 2.437 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.321 2.099 2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.912 3.597 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.920 4.792 1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.298 3.296 0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.369 3.147 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.030 4.810 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.615 4.684 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.185 5.428 0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.513 3.816 -0.111 1.00 0.00 H new ATOM 823 N VAL A 50 -11.980 -0.299 2.136 1.00 0.00 N ATOM 824 CA VAL A 50 -12.555 -1.597 1.805 1.00 0.00 C ATOM 825 C VAL A 50 -12.129 -2.659 2.818 1.00 0.00 C ATOM 826 O VAL A 50 -12.871 -3.603 3.089 1.00 0.00 O ATOM 827 CB VAL A 50 -12.193 -2.055 0.371 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.719 -1.064 -0.656 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.693 -2.250 0.202 1.00 0.00 C ATOM 0 H VAL A 50 -11.260 0.023 1.489 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.638 -1.477 1.848 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.671 -3.020 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.455 -1.403 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.803 -0.993 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.276 -0.084 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.480 -2.571 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.179 -1.309 0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.344 -3.009 0.902 1.00 0.00 H new ATOM 839 N TYR A 51 -10.936 -2.497 3.383 1.00 0.00 N ATOM 840 CA TYR A 51 -10.476 -3.380 4.443 1.00 0.00 C ATOM 841 C TYR A 51 -11.309 -3.163 5.701 1.00 0.00 C ATOM 842 O TYR A 51 -11.657 -4.117 6.390 1.00 0.00 O ATOM 843 CB TYR A 51 -8.990 -3.152 4.745 1.00 0.00 C ATOM 844 CG TYR A 51 -8.045 -3.869 3.802 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.479 -4.334 2.567 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.715 -4.082 4.151 1.00 0.00 C ATOM 847 CE1 TYR A 51 -7.622 -4.991 1.711 1.00 0.00 C ATOM 848 CE2 TYR A 51 -5.850 -4.737 3.296 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.310 -5.191 2.078 1.00 0.00 C ATOM 850 OH TYR A 51 -5.456 -5.849 1.225 1.00 0.00 O ATOM 0 H TYR A 51 -10.275 -1.765 3.124 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.598 -4.410 4.107 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.783 -2.083 4.705 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.784 -3.478 5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.506 -4.178 2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.353 -3.730 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.978 -5.348 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.820 -4.893 3.580 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.567 -5.907 1.633 1.00 0.00 H new ATOM 860 N LYS A 52 -11.628 -1.903 5.987 1.00 0.00 N ATOM 861 CA LYS A 52 -12.488 -1.557 7.115 1.00 0.00 C ATOM 862 C LYS A 52 -13.866 -2.187 6.965 1.00 0.00 C ATOM 863 O LYS A 52 -14.458 -2.651 7.938 1.00 0.00 O ATOM 864 CB LYS A 52 -12.624 -0.040 7.238 1.00 0.00 C ATOM 865 CG LYS A 52 -11.409 0.635 7.845 1.00 0.00 C ATOM 866 CD LYS A 52 -11.618 2.134 7.998 1.00 0.00 C ATOM 867 CE LYS A 52 -12.827 2.450 8.870 1.00 0.00 C ATOM 868 NZ LYS A 52 -12.714 1.855 10.229 1.00 0.00 N ATOM 0 H LYS A 52 -11.301 -1.100 5.449 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.024 -1.949 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.806 0.381 6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.498 0.189 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.197 0.195 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.538 0.451 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.726 2.583 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.751 2.585 7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.937 3.531 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.729 2.076 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.437 2.270 10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.857 0.826 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.769 2.052 10.617 1.00 0.00 H new ATOM 882 N GLU A 53 -14.365 -2.203 5.735 1.00 0.00 N ATOM 883 CA GLU A 53 -15.649 -2.821 5.438 1.00 0.00 C ATOM 884 C GLU A 53 -15.651 -4.284 5.865 1.00 0.00 C ATOM 885 O GLU A 53 -16.583 -4.749 6.512 1.00 0.00 O ATOM 886 CB GLU A 53 -15.956 -2.707 3.944 1.00 0.00 C ATOM 887 CG GLU A 53 -17.129 -1.791 3.632 1.00 0.00 C ATOM 888 CD GLU A 53 -18.417 -2.256 4.283 1.00 0.00 C ATOM 889 OE1 GLU A 53 -19.156 -3.048 3.658 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.697 -1.830 5.420 1.00 0.00 O ATOM 0 H GLU A 53 -13.898 -1.794 4.926 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.423 -2.297 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.070 -2.338 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.166 -3.700 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.898 -0.781 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.269 -1.740 2.552 1.00 0.00 H new ATOM 897 N ALA A 54 -14.598 -5.000 5.496 1.00 0.00 N ATOM 898 CA ALA A 54 -14.465 -6.406 5.856 1.00 0.00 C ATOM 899 C ALA A 54 -14.135 -6.583 7.338 1.00 0.00 C ATOM 900 O ALA A 54 -14.629 -7.503 7.979 1.00 0.00 O ATOM 901 CB ALA A 54 -13.402 -7.072 4.995 1.00 0.00 C ATOM 0 H ALA A 54 -13.822 -4.630 4.947 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.426 -6.886 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.313 -8.122 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.686 -6.999 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.445 -6.573 5.148 1.00 0.00 H new ATOM 907 N ALA A 55 -13.292 -5.703 7.872 1.00 0.00 N ATOM 908 CA ALA A 55 -12.830 -5.812 9.256 1.00 0.00 C ATOM 909 C ALA A 55 -13.960 -5.588 10.256 1.00 0.00 C ATOM 910 O ALA A 55 -14.132 -6.371 11.193 1.00 0.00 O ATOM 911 CB ALA A 55 -11.697 -4.828 9.516 1.00 0.00 C ATOM 0 H ALA A 55 -12.913 -4.903 7.366 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.464 -6.829 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.364 -4.921 10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.865 -5.046 8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.050 -3.812 9.339 1.00 0.00 H new ATOM 917 N GLU A 56 -14.731 -4.529 10.057 1.00 0.00 N ATOM 918 CA GLU A 56 -15.830 -4.210 10.959 1.00 0.00 C ATOM 919 C GLU A 56 -17.026 -5.140 10.737 1.00 0.00 C ATOM 920 O GLU A 56 -17.999 -5.113 11.494 1.00 0.00 O ATOM 921 CB GLU A 56 -16.261 -2.752 10.794 1.00 0.00 C ATOM 922 CG GLU A 56 -15.433 -1.753 11.599 1.00 0.00 C ATOM 923 CD GLU A 56 -14.057 -1.462 11.019 1.00 0.00 C ATOM 924 OE1 GLU A 56 -13.949 -0.529 10.189 1.00 0.00 O ATOM 925 OE2 GLU A 56 -13.081 -2.122 11.419 1.00 0.00 O ATOM 0 H GLU A 56 -14.617 -3.877 9.281 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.470 -4.358 11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.203 -2.486 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.306 -2.660 11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.987 -0.817 11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.313 -2.134 12.613 1.00 0.00 H new ATOM 932 N LYS A 57 -16.946 -5.955 9.695 1.00 0.00 N ATOM 933 CA LYS A 57 -17.982 -6.922 9.379 1.00 0.00 C ATOM 934 C LYS A 57 -17.412 -8.339 9.388 1.00 0.00 C ATOM 935 O LYS A 57 -17.990 -9.257 8.807 1.00 0.00 O ATOM 936 CB LYS A 57 -18.567 -6.612 8.002 1.00 0.00 C ATOM 937 CG LYS A 57 -19.522 -5.427 7.990 1.00 0.00 C ATOM 938 CD LYS A 57 -20.018 -5.131 6.584 1.00 0.00 C ATOM 939 CE LYS A 57 -20.955 -3.934 6.560 1.00 0.00 C ATOM 940 NZ LYS A 57 -21.345 -3.564 5.175 1.00 0.00 N ATOM 0 H LYS A 57 -16.159 -5.963 9.046 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.766 -6.856 10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.751 -6.415 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -19.093 -7.493 7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -20.371 -5.635 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -19.019 -4.548 8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -19.167 -4.940 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -20.534 -6.006 6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -21.849 -4.161 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -20.470 -3.084 7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -21.750 -2.606 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -20.506 -3.587 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -22.052 -4.240 4.821 1.00 0.00 H new ATOM 954 N ALA A 58 -16.282 -8.512 10.063 1.00 0.00 N ATOM 955 CA ALA A 58 -15.567 -9.780 10.038 1.00 0.00 C ATOM 956 C ALA A 58 -16.187 -10.806 10.976 1.00 0.00 C ATOM 957 O ALA A 58 -16.446 -10.527 12.147 1.00 0.00 O ATOM 958 CB ALA A 58 -14.102 -9.567 10.385 1.00 0.00 C ATOM 0 H ALA A 58 -15.842 -7.790 10.634 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.643 -10.176 9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.580 -10.524 10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.651 -8.890 9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.024 -9.134 11.382 1.00 0.00 H new ATOM 964 N ARG A 59 -16.417 -11.995 10.441 1.00 0.00 N ATOM 965 CA ARG A 59 -16.921 -13.114 11.219 1.00 0.00 C ATOM 966 C ARG A 59 -15.764 -13.977 11.726 1.00 0.00 C ATOM 967 O ARG A 59 -15.835 -14.563 12.803 1.00 0.00 O ATOM 968 CB ARG A 59 -17.876 -13.938 10.352 1.00 0.00 C ATOM 969 CG ARG A 59 -18.312 -15.253 10.969 1.00 0.00 C ATOM 970 CD ARG A 59 -19.250 -15.995 10.039 1.00 0.00 C ATOM 971 NE ARG A 59 -19.494 -17.369 10.464 1.00 0.00 N ATOM 972 CZ ARG A 59 -19.991 -18.307 9.665 1.00 0.00 C ATOM 973 NH1 ARG A 59 -20.312 -18.017 8.407 1.00 0.00 N ATOM 974 NH2 ARG A 59 -20.174 -19.534 10.123 1.00 0.00 N ATOM 0 H ARG A 59 -16.260 -12.210 9.457 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.462 -12.739 12.088 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.762 -13.339 10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.394 -14.142 9.396 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.438 -15.869 11.180 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.808 -15.067 11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -20.199 -15.462 9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.830 -15.999 9.033 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.271 -17.623 11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.177 -17.071 8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.693 -18.741 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.934 -19.759 11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.555 -20.255 9.511 1.00 0.00 H new ATOM 988 N ASN A 60 -14.689 -14.027 10.950 1.00 0.00 N ATOM 989 CA ASN A 60 -13.526 -14.828 11.308 1.00 0.00 C ATOM 990 C ASN A 60 -12.451 -13.949 11.938 1.00 0.00 C ATOM 991 O ASN A 60 -11.919 -13.048 11.286 1.00 0.00 O ATOM 992 CB ASN A 60 -12.964 -15.536 10.075 1.00 0.00 C ATOM 993 CG ASN A 60 -11.774 -16.422 10.403 1.00 0.00 C ATOM 994 OD1 ASN A 60 -10.629 -15.973 10.395 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.038 -17.686 10.684 1.00 0.00 N ATOM 0 H ASN A 60 -14.598 -13.522 10.068 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.837 -15.580 12.033 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.748 -16.141 9.619 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.666 -14.791 9.337 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.278 -18.329 10.905 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.002 -18.019 10.680 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.121 -14.200 13.213 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.150 -13.391 13.961 1.00 0.00 C ATOM 1004 C PRO A 61 -9.723 -13.543 13.440 1.00 0.00 C ATOM 1005 O PRO A 61 -8.939 -12.590 13.468 1.00 0.00 O ATOM 1006 CB PRO A 61 -11.246 -13.928 15.395 1.00 0.00 C ATOM 1007 CG PRO A 61 -12.476 -14.771 15.427 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.674 -15.283 14.033 1.00 0.00 C ATOM 0 HA PRO A 61 -11.374 -12.328 13.872 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.363 -14.513 15.654 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.311 -13.112 16.115 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.364 -15.595 16.131 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.338 -14.189 15.753 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.150 -16.224 13.869 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.726 -15.462 13.812 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.398 -14.735 12.949 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.042 -15.038 12.500 1.00 0.00 C ATOM 1018 C GLU A 62 -7.660 -14.174 11.305 1.00 0.00 C ATOM 1019 O GLU A 62 -6.574 -13.597 11.265 1.00 0.00 O ATOM 1020 CB GLU A 62 -7.933 -16.519 12.125 1.00 0.00 C ATOM 1021 CG GLU A 62 -6.568 -16.923 11.593 1.00 0.00 C ATOM 1022 CD GLU A 62 -6.547 -18.351 11.100 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -6.291 -19.262 11.915 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -6.795 -18.577 9.899 1.00 0.00 O ATOM 0 H GLU A 62 -10.056 -15.508 12.852 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.355 -14.820 13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.163 -17.123 13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.687 -16.749 11.373 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.285 -16.255 10.779 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.823 -16.801 12.379 1.00 0.00 H new ATOM 1031 N LYS A 63 -8.569 -14.066 10.347 1.00 0.00 N ATOM 1032 CA LYS A 63 -8.322 -13.260 9.160 1.00 0.00 C ATOM 1033 C LYS A 63 -8.453 -11.780 9.477 1.00 0.00 C ATOM 1034 O LYS A 63 -7.764 -10.947 8.888 1.00 0.00 O ATOM 1035 CB LYS A 63 -9.273 -13.651 8.026 1.00 0.00 C ATOM 1036 CG LYS A 63 -9.098 -15.089 7.558 1.00 0.00 C ATOM 1037 CD LYS A 63 -7.661 -15.375 7.148 1.00 0.00 C ATOM 1038 CE LYS A 63 -7.499 -16.792 6.624 1.00 0.00 C ATOM 1039 NZ LYS A 63 -6.089 -17.102 6.265 1.00 0.00 N ATOM 0 H LYS A 63 -9.480 -14.524 10.368 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.301 -13.452 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.301 -13.508 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.115 -12.980 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.391 -15.770 8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.762 -15.281 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.353 -14.665 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.002 -15.225 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.843 -17.498 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.133 -16.928 5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.027 -18.079 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.767 -16.446 5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.486 -16.998 7.106 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.326 -11.455 10.423 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.520 -10.071 10.818 1.00 0.00 C ATOM 1055 C ARG A 64 -8.246 -9.529 11.451 1.00 0.00 C ATOM 1056 O ARG A 64 -7.902 -8.375 11.250 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.705 -9.933 11.781 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.207 -8.499 11.936 1.00 0.00 C ATOM 1059 CD ARG A 64 -10.425 -7.711 12.980 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.828 -8.051 14.344 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.633 -7.259 15.396 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.976 -6.112 15.260 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.085 -7.619 16.589 1.00 0.00 N ATOM 0 H ARG A 64 -9.905 -12.127 10.926 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.748 -9.486 9.927 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.524 -10.559 11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.413 -10.314 12.760 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.138 -7.989 10.975 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.261 -8.515 12.214 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.360 -7.907 12.858 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.574 -6.644 12.814 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.286 -8.949 14.499 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.618 -5.834 14.346 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.830 -5.509 16.070 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.582 -8.503 16.701 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.936 -7.012 17.395 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.551 -10.371 12.206 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.287 -9.997 12.819 1.00 0.00 C ATOM 1079 C GLN A 65 -5.283 -9.581 11.747 1.00 0.00 C ATOM 1080 O GLN A 65 -4.614 -8.554 11.872 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.768 -11.188 13.629 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.676 -10.863 14.631 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.275 -10.966 14.054 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -2.716 -9.990 13.555 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.693 -12.153 14.125 1.00 0.00 N ATOM 0 H GLN A 65 -7.847 -11.326 12.408 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.429 -9.145 13.484 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.606 -11.637 14.162 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.391 -11.941 12.937 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.831 -9.853 15.011 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.761 -11.540 15.481 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.188 -12.939 14.546 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.750 -12.281 13.759 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.213 -10.366 10.679 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.323 -10.072 9.562 1.00 0.00 C ATOM 1096 C VAL A 66 -4.714 -8.752 8.900 1.00 0.00 C ATOM 1097 O VAL A 66 -3.875 -7.869 8.699 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.358 -11.204 8.513 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -3.392 -10.922 7.374 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.043 -12.544 9.163 1.00 0.00 C ATOM 0 H VAL A 66 -5.765 -11.216 10.563 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.310 -9.991 9.957 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.365 -11.249 8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.437 -11.735 6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.667 -9.986 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.379 -10.842 7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.072 -13.330 8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.050 -12.507 9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.781 -12.756 9.936 1.00 0.00 H new ATOM 1110 N ILE A 67 -5.997 -8.618 8.585 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.514 -7.406 7.961 1.00 0.00 C ATOM 1112 C ILE A 67 -6.305 -6.196 8.870 1.00 0.00 C ATOM 1113 O ILE A 67 -5.856 -5.151 8.419 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.020 -7.541 7.628 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.249 -8.690 6.641 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.565 -6.237 7.062 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -9.711 -8.953 6.339 1.00 0.00 C ATOM 0 H ILE A 67 -6.701 -9.337 8.752 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.961 -7.261 7.033 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.556 -7.764 8.551 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.730 -8.466 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.802 -9.598 7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.625 -6.354 6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.437 -5.440 7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.024 -5.982 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.794 -9.780 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.233 -9.209 7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.159 -8.059 5.905 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.612 -6.369 10.151 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.533 -5.294 11.144 1.00 0.00 C ATOM 1131 C ASP A 68 -5.137 -4.679 11.185 1.00 0.00 C ATOM 1132 O ASP A 68 -4.984 -3.456 11.136 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.902 -5.843 12.530 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.940 -4.783 13.614 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.860 -4.380 14.102 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -8.051 -4.360 14.000 1.00 0.00 O ATOM 0 H ASP A 68 -6.924 -7.261 10.535 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.238 -4.513 10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.877 -6.326 12.472 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.182 -6.612 12.810 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.122 -5.532 11.266 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.742 -5.067 11.343 1.00 0.00 C ATOM 1143 C LYS A 69 -2.293 -4.406 10.043 1.00 0.00 C ATOM 1144 O LYS A 69 -1.683 -3.339 10.067 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.812 -6.228 11.701 1.00 0.00 C ATOM 1146 CG LYS A 69 -1.953 -6.702 13.143 1.00 0.00 C ATOM 1147 CD LYS A 69 -1.018 -5.957 14.092 1.00 0.00 C ATOM 1148 CE LYS A 69 -1.286 -4.455 14.140 1.00 0.00 C ATOM 1149 NZ LYS A 69 -2.636 -4.130 14.675 1.00 0.00 N ATOM 0 H LYS A 69 -4.228 -6.546 11.280 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.690 -4.313 12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.014 -7.064 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.780 -5.923 11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.984 -6.564 13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.743 -7.770 13.194 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.123 -6.371 15.095 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.014 -6.126 13.783 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.529 -3.974 14.759 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.188 -4.040 13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.785 -3.101 14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.361 -4.606 14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.707 -4.455 15.660 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.612 -5.024 8.916 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.227 -4.483 7.619 1.00 0.00 C ATOM 1165 C ILE A 70 -2.990 -3.194 7.313 1.00 0.00 C ATOM 1166 O ILE A 70 -2.429 -2.249 6.768 1.00 0.00 O ATOM 1167 CB ILE A 70 -2.417 -5.529 6.498 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -1.377 -6.643 6.676 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -2.307 -4.889 5.117 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.378 -7.676 5.575 1.00 0.00 C ATOM 0 H ILE A 70 -3.135 -5.898 8.872 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.166 -4.237 7.662 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.418 -5.954 6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.386 -6.193 6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.557 -7.143 7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.445 -5.652 4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.074 -4.123 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.322 -4.435 5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.614 -8.426 5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.355 -8.157 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.166 -7.192 4.622 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.263 -3.160 7.690 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.080 -1.953 7.580 1.00 0.00 C ATOM 1184 C LEU A 71 -4.409 -0.809 8.336 1.00 0.00 C ATOM 1185 O LEU A 71 -4.246 0.296 7.817 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.474 -2.233 8.167 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.575 -1.205 7.871 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.930 -1.818 8.162 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.399 0.062 8.701 1.00 0.00 C ATOM 0 H LEU A 71 -4.758 -3.963 8.079 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.182 -1.669 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.808 -3.203 7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.374 -2.321 9.249 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.505 -0.929 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.712 -1.088 7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.075 -2.696 7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.979 -2.111 9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.197 0.766 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.439 -0.189 9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.435 0.516 8.472 1.00 0.00 H new ATOM 1201 N GLU A 72 -4.020 -1.100 9.568 1.00 0.00 N ATOM 1202 CA GLU A 72 -3.375 -0.126 10.431 1.00 0.00 C ATOM 1203 C GLU A 72 -2.023 0.301 9.860 1.00 0.00 C ATOM 1204 O GLU A 72 -1.660 1.479 9.914 1.00 0.00 O ATOM 1205 CB GLU A 72 -3.222 -0.728 11.830 1.00 0.00 C ATOM 1206 CG GLU A 72 -2.529 0.170 12.839 1.00 0.00 C ATOM 1207 CD GLU A 72 -2.732 -0.313 14.260 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -2.378 -1.471 14.562 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -3.260 0.464 15.083 1.00 0.00 O ATOM 0 H GLU A 72 -4.143 -2.018 9.996 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.992 0.770 10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.211 -0.982 12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.662 -1.660 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.462 0.209 12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.911 1.186 12.743 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.300 -0.663 9.297 1.00 0.00 N ATOM 1217 CA ASP A 73 -0.004 -0.400 8.681 1.00 0.00 C ATOM 1218 C ASP A 73 -0.170 0.470 7.450 1.00 0.00 C ATOM 1219 O ASP A 73 0.585 1.413 7.233 1.00 0.00 O ATOM 1220 CB ASP A 73 0.661 -1.697 8.240 1.00 0.00 C ATOM 1221 CG ASP A 73 2.166 -1.651 8.371 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.675 -1.685 9.501 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.849 -1.593 7.324 1.00 0.00 O ATOM 0 H ASP A 73 -1.593 -1.639 9.255 1.00 0.00 H new ATOM 0 HA ASP A 73 0.612 0.103 9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.273 -2.522 8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.396 -1.903 7.203 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.167 0.126 6.649 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.418 0.787 5.381 1.00 0.00 C ATOM 1230 C GLU A 74 -1.713 2.273 5.597 1.00 0.00 C ATOM 1231 O GLU A 74 -1.264 3.123 4.829 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.580 0.086 4.667 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.464 0.086 3.152 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.122 -0.431 2.670 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.877 -1.669 2.694 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.287 0.397 2.269 1.00 0.00 O ATOM 0 H GLU A 74 -1.826 -0.622 6.863 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.529 0.720 4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.639 -0.945 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.513 0.573 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.259 -0.529 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.614 1.099 2.780 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.449 2.582 6.664 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.725 3.964 7.027 1.00 0.00 C ATOM 1245 C GLU A 75 -1.451 4.641 7.531 1.00 0.00 C ATOM 1246 O GLU A 75 -1.216 5.823 7.286 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.836 4.025 8.086 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.485 5.385 8.193 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.654 6.009 6.828 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -5.597 5.641 6.107 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -3.738 6.712 6.381 1.00 0.00 O ATOM 0 H GLU A 75 -2.863 1.891 7.290 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.070 4.500 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.598 3.284 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.420 3.751 9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.457 5.292 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.876 6.035 8.822 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.616 3.874 8.220 1.00 0.00 N ATOM 1259 CA LYS A 76 0.646 4.391 8.731 1.00 0.00 C ATOM 1260 C LYS A 76 1.563 4.798 7.575 1.00 0.00 C ATOM 1261 O LYS A 76 2.336 5.751 7.691 1.00 0.00 O ATOM 1262 CB LYS A 76 1.327 3.351 9.627 1.00 0.00 C ATOM 1263 CG LYS A 76 2.500 3.899 10.424 1.00 0.00 C ATOM 1264 CD LYS A 76 2.994 2.889 11.444 1.00 0.00 C ATOM 1265 CE LYS A 76 4.060 3.489 12.345 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.439 2.565 13.442 1.00 0.00 N ATOM 0 H LYS A 76 -0.790 2.893 8.438 1.00 0.00 H new ATOM 0 HA LYS A 76 0.442 5.277 9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.590 2.943 10.318 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.675 2.524 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.312 4.161 9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.201 4.816 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.157 2.541 12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.399 2.018 10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.942 3.731 11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.694 4.424 12.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.168 3.010 14.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.602 2.354 14.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.812 1.682 13.039 1.00 0.00 H new ATOM 1280 N HIS A 77 1.467 4.067 6.461 1.00 0.00 N ATOM 1281 CA HIS A 77 2.225 4.398 5.252 1.00 0.00 C ATOM 1282 C HIS A 77 1.855 5.789 4.759 1.00 0.00 C ATOM 1283 O HIS A 77 2.721 6.613 4.457 1.00 0.00 O ATOM 1284 CB HIS A 77 1.928 3.418 4.118 1.00 0.00 C ATOM 1285 CG HIS A 77 2.302 1.997 4.379 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.902 0.957 3.570 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.041 1.444 5.373 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.391 -0.172 4.090 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.093 0.060 5.185 1.00 0.00 N ATOM 0 H HIS A 77 0.872 3.243 6.372 1.00 0.00 H new ATOM 0 HA HIS A 77 3.281 4.346 5.518 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.862 3.459 3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.453 3.755 3.224 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.513 1.986 6.179 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.232 -1.153 3.668 1.00 0.00 H new ATOM 1296 N ILE A 78 0.553 6.033 4.677 1.00 0.00 N ATOM 1297 CA ILE A 78 0.030 7.292 4.171 1.00 0.00 C ATOM 1298 C ILE A 78 0.430 8.445 5.082 1.00 0.00 C ATOM 1299 O ILE A 78 0.818 9.518 4.613 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.504 7.232 4.042 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.907 6.074 3.122 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.047 8.550 3.510 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.400 5.845 3.039 1.00 0.00 C ATOM 0 H ILE A 78 -0.166 5.366 4.958 1.00 0.00 H new ATOM 0 HA ILE A 78 0.458 7.461 3.183 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.933 7.061 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.523 6.269 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.429 5.160 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.132 8.489 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.781 9.356 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.617 8.751 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.603 5.010 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.789 5.617 4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.885 6.743 2.657 1.00 0.00 H new ATOM 1315 N GLU A 79 0.340 8.214 6.386 1.00 0.00 N ATOM 1316 CA GLU A 79 0.789 9.193 7.368 1.00 0.00 C ATOM 1317 C GLU A 79 2.264 9.531 7.153 1.00 0.00 C ATOM 1318 O GLU A 79 2.666 10.695 7.245 1.00 0.00 O ATOM 1319 CB GLU A 79 0.578 8.657 8.786 1.00 0.00 C ATOM 1320 CG GLU A 79 -0.884 8.454 9.156 1.00 0.00 C ATOM 1321 CD GLU A 79 -1.647 9.758 9.267 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -2.134 10.266 8.236 1.00 0.00 O ATOM 1323 OE2 GLU A 79 -1.769 10.285 10.395 1.00 0.00 O ATOM 0 H GLU A 79 -0.040 7.357 6.788 1.00 0.00 H new ATOM 0 HA GLU A 79 0.200 10.101 7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.104 7.707 8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.030 9.349 9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.360 7.822 8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.943 7.921 10.105 1.00 0.00 H new ATOM 1330 N TRP A 80 3.061 8.510 6.847 1.00 0.00 N ATOM 1331 CA TRP A 80 4.490 8.691 6.609 1.00 0.00 C ATOM 1332 C TRP A 80 4.731 9.499 5.334 1.00 0.00 C ATOM 1333 O TRP A 80 5.466 10.487 5.352 1.00 0.00 O ATOM 1334 CB TRP A 80 5.196 7.333 6.522 1.00 0.00 C ATOM 1335 CG TRP A 80 6.668 7.430 6.245 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.352 6.750 5.284 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.631 8.253 6.921 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.683 7.090 5.320 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.879 8.009 6.318 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.562 9.161 7.981 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.043 8.650 6.732 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.719 9.795 8.389 1.00 0.00 C ATOM 1343 CH2 TRP A 80 9.946 9.533 7.770 1.00 0.00 C ATOM 0 H TRP A 80 2.740 7.546 6.758 1.00 0.00 H new ATOM 0 HA TRP A 80 4.906 9.247 7.449 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.047 6.796 7.459 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.727 6.740 5.737 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.912 6.046 4.594 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.407 6.719 4.705 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.621 9.363 8.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.990 8.456 6.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.676 10.506 9.201 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.834 10.039 8.120 1.00 0.00 H new ATOM 1354 N HIS A 81 4.104 9.082 4.233 1.00 0.00 N ATOM 1355 CA HIS A 81 4.232 9.797 2.964 1.00 0.00 C ATOM 1356 C HIS A 81 3.828 11.257 3.112 1.00 0.00 C ATOM 1357 O HIS A 81 4.475 12.148 2.562 1.00 0.00 O ATOM 1358 CB HIS A 81 3.386 9.135 1.873 1.00 0.00 C ATOM 1359 CG HIS A 81 4.117 8.076 1.110 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.825 8.324 -0.044 1.00 0.00 N ATOM 1361 CD2 HIS A 81 4.261 6.749 1.361 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.372 7.174 -0.449 1.00 0.00 C ATOM 1363 NE2 HIS A 81 5.063 6.186 0.369 1.00 0.00 N ATOM 0 H HIS A 81 3.506 8.257 4.195 1.00 0.00 H new ATOM 0 HA HIS A 81 5.281 9.753 2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.499 8.696 2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.041 9.900 1.177 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.916 9.227 -0.509 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.825 6.217 2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.987 7.067 -1.331 1.00 0.00 H new ATOM 1371 N LYS A 82 2.771 11.492 3.875 1.00 0.00 N ATOM 1372 CA LYS A 82 2.275 12.841 4.109 1.00 0.00 C ATOM 1373 C LYS A 82 3.318 13.683 4.840 1.00 0.00 C ATOM 1374 O LYS A 82 3.626 14.804 4.434 1.00 0.00 O ATOM 1375 CB LYS A 82 0.999 12.782 4.943 1.00 0.00 C ATOM 1376 CG LYS A 82 0.329 14.130 5.133 1.00 0.00 C ATOM 1377 CD LYS A 82 -0.468 14.177 6.425 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.468 13.038 6.526 1.00 0.00 C ATOM 1379 NZ LYS A 82 -2.199 13.067 7.817 1.00 0.00 N ATOM 0 H LYS A 82 2.237 10.761 4.346 1.00 0.00 H new ATOM 0 HA LYS A 82 2.066 13.303 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.295 12.101 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.234 12.363 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.085 14.915 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.331 14.332 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.216 14.134 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.996 15.128 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.179 13.103 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.948 12.086 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.298 12.098 8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.670 13.643 8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.142 13.480 7.673 1.00 0.00 H new ATOM 1393 N ALA A 83 3.873 13.118 5.909 1.00 0.00 N ATOM 1394 CA ALA A 83 4.828 13.829 6.749 1.00 0.00 C ATOM 1395 C ALA A 83 6.166 14.022 6.043 1.00 0.00 C ATOM 1396 O ALA A 83 6.872 14.999 6.293 1.00 0.00 O ATOM 1397 CB ALA A 83 5.025 13.091 8.066 1.00 0.00 C ATOM 0 H ALA A 83 3.675 12.165 6.214 1.00 0.00 H new ATOM 0 HA ALA A 83 4.417 14.818 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.741 13.633 8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.072 13.022 8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.403 12.088 7.868 1.00 0.00 H new ATOM 1403 N ALA A 84 6.508 13.092 5.161 1.00 0.00 N ATOM 1404 CA ALA A 84 7.773 13.148 4.437 1.00 0.00 C ATOM 1405 C ALA A 84 7.735 14.202 3.334 1.00 0.00 C ATOM 1406 O ALA A 84 8.767 14.570 2.776 1.00 0.00 O ATOM 1407 CB ALA A 84 8.104 11.783 3.853 1.00 0.00 C ATOM 0 H ALA A 84 5.926 12.287 4.929 1.00 0.00 H new ATOM 0 HA ALA A 84 8.553 13.432 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.050 11.837 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.186 11.053 4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.313 11.479 3.167 1.00 0.00 H new ATOM 1413 N SER A 85 6.544 14.707 3.041 1.00 0.00 N ATOM 1414 CA SER A 85 6.371 15.686 1.974 1.00 0.00 C ATOM 1415 C SER A 85 6.642 17.109 2.476 1.00 0.00 C ATOM 1416 O SER A 85 5.912 18.046 2.150 1.00 0.00 O ATOM 1417 CB SER A 85 4.954 15.590 1.414 1.00 0.00 C ATOM 1418 OG SER A 85 4.655 14.268 0.996 1.00 0.00 O ATOM 0 H SER A 85 5.683 14.456 3.527 1.00 0.00 H new ATOM 0 HA SER A 85 7.091 15.465 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.238 15.905 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.846 16.273 0.572 1.00 0.00 H new ATOM 0 HG SER A 85 4.604 13.681 1.779 1.00 0.00 H new ATOM 1424 N LYS A 86 7.695 17.264 3.267 1.00 0.00 N ATOM 1425 CA LYS A 86 8.082 18.571 3.782 1.00 0.00 C ATOM 1426 C LYS A 86 9.344 19.062 3.083 1.00 0.00 C ATOM 1427 O LYS A 86 9.337 20.105 2.429 1.00 0.00 O ATOM 1428 CB LYS A 86 8.304 18.519 5.296 1.00 0.00 C ATOM 1429 CG LYS A 86 7.054 18.175 6.092 1.00 0.00 C ATOM 1430 CD LYS A 86 7.341 18.131 7.586 1.00 0.00 C ATOM 1431 CE LYS A 86 6.118 17.709 8.389 1.00 0.00 C ATOM 1432 NZ LYS A 86 5.000 18.684 8.272 1.00 0.00 N ATOM 0 H LYS A 86 8.298 16.498 3.567 1.00 0.00 H new ATOM 0 HA LYS A 86 7.270 19.269 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.076 17.782 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.682 19.485 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.278 18.914 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.667 17.210 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.158 17.436 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.673 19.114 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.781 16.731 8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.395 17.601 9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.230 18.407 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.339 19.633 8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.649 18.693 7.293 1.00 0.00 H new ATOM 1446 N GLN A 87 10.423 18.300 3.218 1.00 0.00 N ATOM 1447 CA GLN A 87 11.687 18.633 2.575 1.00 0.00 C ATOM 1448 C GLN A 87 12.562 17.386 2.499 1.00 0.00 C ATOM 1449 O GLN A 87 12.828 16.744 3.514 1.00 0.00 O ATOM 1450 CB GLN A 87 12.409 19.751 3.349 1.00 0.00 C ATOM 1451 CG GLN A 87 13.309 20.633 2.487 1.00 0.00 C ATOM 1452 CD GLN A 87 14.546 19.924 1.966 1.00 0.00 C ATOM 1453 OE1 GLN A 87 15.099 19.042 2.619 1.00 0.00 O ATOM 1454 NE2 GLN A 87 14.984 20.309 0.775 1.00 0.00 N ATOM 0 H GLN A 87 10.447 17.443 3.770 1.00 0.00 H new ATOM 0 HA GLN A 87 11.490 18.994 1.566 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.663 20.379 3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.011 19.300 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.733 21.007 1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.618 21.501 3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.496 21.045 0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.809 19.869 0.368 1.00 0.00 H new ATOM 1463 N GLY A 88 12.985 17.038 1.293 1.00 0.00 N ATOM 1464 CA GLY A 88 13.854 15.889 1.117 1.00 0.00 C ATOM 1465 C GLY A 88 13.285 14.893 0.135 1.00 0.00 C ATOM 1466 O GLY A 88 12.915 13.780 0.508 1.00 0.00 O ATOM 0 H GLY A 88 12.743 17.529 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.831 16.224 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.009 15.401 2.079 1.00 0.00 H new ATOM 1470 N ASN A 89 13.221 15.286 -1.125 1.00 0.00 N ATOM 1471 CA ASN A 89 12.642 14.437 -2.153 1.00 0.00 C ATOM 1472 C ASN A 89 13.733 13.884 -3.066 1.00 0.00 C ATOM 1473 O ASN A 89 14.924 14.040 -2.786 1.00 0.00 O ATOM 1474 CB ASN A 89 11.589 15.205 -2.971 1.00 0.00 C ATOM 1475 CG ASN A 89 12.173 16.333 -3.807 1.00 0.00 C ATOM 1476 OD1 ASN A 89 12.564 16.128 -4.956 1.00 0.00 O ATOM 1477 ND2 ASN A 89 12.226 17.532 -3.245 1.00 0.00 N ATOM 0 H ASN A 89 13.562 16.186 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 89 12.144 13.600 -1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.072 14.507 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.842 15.616 -2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.601 18.324 -3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.892 17.663 -2.290 1.00 0.00 H new ATOM 1484 N ALA A 90 13.306 13.223 -4.143 1.00 0.00 N ATOM 1485 CA ALA A 90 14.208 12.611 -5.119 1.00 0.00 C ATOM 1486 C ALA A 90 15.068 11.508 -4.496 1.00 0.00 C ATOM 1487 O ALA A 90 14.648 10.354 -4.428 1.00 0.00 O ATOM 1488 CB ALA A 90 15.077 13.661 -5.801 1.00 0.00 C ATOM 0 H ALA A 90 12.318 13.097 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 90 13.583 12.142 -5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.737 13.176 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.441 14.379 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.676 14.180 -5.052 1.00 0.00 H new ATOM 1494 N GLU A 91 16.249 11.876 -4.008 1.00 0.00 N ATOM 1495 CA GLU A 91 17.217 10.898 -3.524 1.00 0.00 C ATOM 1496 C GLU A 91 16.735 10.248 -2.227 1.00 0.00 C ATOM 1497 O GLU A 91 16.717 9.022 -2.103 1.00 0.00 O ATOM 1498 CB GLU A 91 18.576 11.587 -3.331 1.00 0.00 C ATOM 1499 CG GLU A 91 19.746 10.642 -3.086 1.00 0.00 C ATOM 1500 CD GLU A 91 19.946 10.304 -1.624 1.00 0.00 C ATOM 1501 OE1 GLU A 91 20.498 11.148 -0.888 1.00 0.00 O ATOM 1502 OE2 GLU A 91 19.569 9.190 -1.208 1.00 0.00 O ATOM 0 H GLU A 91 16.559 12.845 -3.937 1.00 0.00 H new ATOM 0 HA GLU A 91 17.325 10.102 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.792 12.187 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.502 12.275 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.584 9.721 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.658 11.095 -3.475 1.00 0.00 H new ATOM 1509 N GLN A 92 16.311 11.068 -1.275 1.00 0.00 N ATOM 1510 CA GLN A 92 15.780 10.558 -0.016 1.00 0.00 C ATOM 1511 C GLN A 92 14.434 9.882 -0.251 1.00 0.00 C ATOM 1512 O GLN A 92 14.110 8.869 0.369 1.00 0.00 O ATOM 1513 CB GLN A 92 15.631 11.695 0.998 1.00 0.00 C ATOM 1514 CG GLN A 92 16.941 12.403 1.313 1.00 0.00 C ATOM 1515 CD GLN A 92 16.778 13.514 2.334 1.00 0.00 C ATOM 1516 OE1 GLN A 92 15.847 13.343 3.258 1.00 0.00 O flip ATOM 1517 NE2 GLN A 92 17.496 14.512 2.297 1.00 0.00 N flip ATOM 0 H GLN A 92 16.324 12.085 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 92 16.478 9.823 0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.917 12.423 0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.212 11.295 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 92 17.661 11.675 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.355 12.818 0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.203 14.605 1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.385 15.246 2.996 1.00 0.00 H new ATOM 1526 N PHE A 93 13.677 10.448 -1.180 1.00 0.00 N ATOM 1527 CA PHE A 93 12.340 9.971 -1.514 1.00 0.00 C ATOM 1528 C PHE A 93 12.384 8.544 -2.065 1.00 0.00 C ATOM 1529 O PHE A 93 11.598 7.689 -1.653 1.00 0.00 O ATOM 1530 CB PHE A 93 11.711 10.933 -2.527 1.00 0.00 C ATOM 1531 CG PHE A 93 10.306 10.603 -2.935 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.275 10.596 -2.007 1.00 0.00 C ATOM 1533 CD2 PHE A 93 10.017 10.326 -4.257 1.00 0.00 C ATOM 1534 CE1 PHE A 93 7.979 10.320 -2.397 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.728 10.046 -4.651 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.708 10.040 -3.724 1.00 0.00 C ATOM 0 H PHE A 93 13.974 11.256 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 93 11.730 9.945 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.723 11.938 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.336 10.954 -3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.488 10.808 -0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.811 10.329 -4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.181 10.323 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.516 9.831 -5.688 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.698 9.817 -4.034 1.00 0.00 H new ATOM 1546 N ALA A 94 13.318 8.285 -2.979 1.00 0.00 N ATOM 1547 CA ALA A 94 13.474 6.955 -3.564 1.00 0.00 C ATOM 1548 C ALA A 94 13.837 5.929 -2.496 1.00 0.00 C ATOM 1549 O ALA A 94 13.375 4.787 -2.535 1.00 0.00 O ATOM 1550 CB ALA A 94 14.531 6.983 -4.660 1.00 0.00 C ATOM 0 H ALA A 94 13.978 8.979 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 94 12.521 6.660 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.638 5.986 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.228 7.682 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.484 7.301 -4.238 1.00 0.00 H new ATOM 1556 N SER A 95 14.650 6.353 -1.536 1.00 0.00 N ATOM 1557 CA SER A 95 15.064 5.492 -0.437 1.00 0.00 C ATOM 1558 C SER A 95 13.862 5.100 0.427 1.00 0.00 C ATOM 1559 O SER A 95 13.780 3.975 0.926 1.00 0.00 O ATOM 1560 CB SER A 95 16.117 6.210 0.408 1.00 0.00 C ATOM 1561 OG SER A 95 17.186 6.676 -0.408 1.00 0.00 O ATOM 0 H SER A 95 15.038 7.296 -1.498 1.00 0.00 H new ATOM 0 HA SER A 95 15.496 4.579 -0.848 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.660 7.050 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.503 5.532 1.169 1.00 0.00 H new ATOM 0 HG SER A 95 16.906 7.487 -0.882 1.00 0.00 H new ATOM 1567 N LEU A 96 12.925 6.032 0.584 1.00 0.00 N ATOM 1568 CA LEU A 96 11.710 5.786 1.353 1.00 0.00 C ATOM 1569 C LEU A 96 10.814 4.784 0.634 1.00 0.00 C ATOM 1570 O LEU A 96 10.156 3.956 1.265 1.00 0.00 O ATOM 1571 CB LEU A 96 10.950 7.098 1.581 1.00 0.00 C ATOM 1572 CG LEU A 96 11.720 8.169 2.357 1.00 0.00 C ATOM 1573 CD1 LEU A 96 10.894 9.439 2.470 1.00 0.00 C ATOM 1574 CD2 LEU A 96 12.101 7.662 3.738 1.00 0.00 C ATOM 0 H LEU A 96 12.986 6.969 0.186 1.00 0.00 H new ATOM 0 HA LEU A 96 11.995 5.369 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.666 7.508 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.027 6.877 2.117 1.00 0.00 H new ATOM 0 HG LEU A 96 12.635 8.396 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.456 10.190 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.669 9.817 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.963 9.222 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.648 8.439 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.199 7.405 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.730 6.778 3.640 1.00 0.00 H new ATOM 1586 N VAL A 97 10.804 4.863 -0.693 1.00 0.00 N ATOM 1587 CA VAL A 97 9.998 3.968 -1.516 1.00 0.00 C ATOM 1588 C VAL A 97 10.440 2.518 -1.342 1.00 0.00 C ATOM 1589 O VAL A 97 9.608 1.612 -1.295 1.00 0.00 O ATOM 1590 CB VAL A 97 10.067 4.349 -3.013 1.00 0.00 C ATOM 1591 CG1 VAL A 97 9.210 3.410 -3.850 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.625 5.789 -3.217 1.00 0.00 C ATOM 0 H VAL A 97 11.349 5.542 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 97 8.967 4.073 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 97 11.102 4.252 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.274 3.697 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.568 2.387 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.173 3.472 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.680 6.040 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.599 5.907 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.279 6.454 -2.652 1.00 0.00 H new ATOM 1602 N GLN A 98 11.748 2.305 -1.229 1.00 0.00 N ATOM 1603 CA GLN A 98 12.293 0.961 -1.051 1.00 0.00 C ATOM 1604 C GLN A 98 11.756 0.317 0.226 1.00 0.00 C ATOM 1605 O GLN A 98 11.458 -0.878 0.253 1.00 0.00 O ATOM 1606 CB GLN A 98 13.822 0.996 -1.016 1.00 0.00 C ATOM 1607 CG GLN A 98 14.459 1.401 -2.337 1.00 0.00 C ATOM 1608 CD GLN A 98 15.976 1.323 -2.302 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.598 1.527 -1.256 1.00 0.00 O ATOM 1610 NE2 GLN A 98 16.585 1.013 -3.438 1.00 0.00 N ATOM 0 H GLN A 98 12.450 3.044 -1.257 1.00 0.00 H new ATOM 0 HA GLN A 98 11.975 0.359 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.142 1.692 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.192 0.011 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.084 0.755 -3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.157 2.418 -2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.037 0.851 -4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.602 0.936 -3.467 1.00 0.00 H new ATOM 1619 N GLN A 99 11.615 1.121 1.273 1.00 0.00 N ATOM 1620 CA GLN A 99 11.121 0.628 2.553 1.00 0.00 C ATOM 1621 C GLN A 99 9.637 0.279 2.453 1.00 0.00 C ATOM 1622 O GLN A 99 9.197 -0.757 2.952 1.00 0.00 O ATOM 1623 CB GLN A 99 11.345 1.677 3.645 1.00 0.00 C ATOM 1624 CG GLN A 99 12.809 2.049 3.843 1.00 0.00 C ATOM 1625 CD GLN A 99 13.004 3.144 4.876 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.006 4.333 4.550 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.183 2.753 6.129 1.00 0.00 N ATOM 0 H GLN A 99 11.836 2.117 1.261 1.00 0.00 H new ATOM 0 HA GLN A 99 11.673 -0.275 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.781 2.576 3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.944 1.301 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.366 1.163 4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.228 2.375 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.175 1.759 6.359 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.329 3.446 6.863 1.00 0.00 H new ATOM 1636 N HIS A 100 8.879 1.142 1.782 1.00 0.00 N ATOM 1637 CA HIS A 100 7.449 0.925 1.573 1.00 0.00 C ATOM 1638 C HIS A 100 7.234 -0.334 0.734 1.00 0.00 C ATOM 1639 O HIS A 100 6.372 -1.158 1.037 1.00 0.00 O ATOM 1640 CB HIS A 100 6.842 2.145 0.864 1.00 0.00 C ATOM 1641 CG HIS A 100 5.342 2.271 0.955 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.686 3.474 0.861 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.373 1.331 1.105 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.373 3.245 0.950 1.00 0.00 C ATOM 1645 NE2 HIS A 100 3.118 1.955 1.100 1.00 0.00 N ATOM 0 H HIS A 100 9.234 2.005 1.370 1.00 0.00 H new ATOM 0 HA HIS A 100 6.957 0.793 2.537 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.291 3.046 1.282 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.123 2.108 -0.189 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.126 4.387 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.543 0.270 1.211 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.616 4.014 0.905 1.00 0.00 H new ATOM 1653 N LEU A 101 8.043 -0.477 -0.307 1.00 0.00 N ATOM 1654 CA LEU A 101 7.943 -1.609 -1.223 1.00 0.00 C ATOM 1655 C LEU A 101 8.187 -2.933 -0.499 1.00 0.00 C ATOM 1656 O LEU A 101 7.419 -3.881 -0.653 1.00 0.00 O ATOM 1657 CB LEU A 101 8.948 -1.444 -2.365 1.00 0.00 C ATOM 1658 CG LEU A 101 8.864 -2.501 -3.467 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.530 -2.412 -4.189 1.00 0.00 C ATOM 1660 CD2 LEU A 101 10.010 -2.341 -4.452 1.00 0.00 C ATOM 0 H LEU A 101 8.784 0.184 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 101 6.931 -1.629 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.804 -0.462 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.954 -1.458 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 101 8.943 -3.484 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.488 -3.171 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.720 -2.577 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.424 -1.424 -4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.932 -3.103 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.962 -1.352 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.959 -2.453 -3.928 1.00 0.00 H new ATOM 1672 N GLN A 102 9.257 -2.986 0.289 1.00 0.00 N ATOM 1673 CA GLN A 102 9.596 -4.167 1.051 1.00 0.00 C ATOM 1674 C GLN A 102 8.472 -4.515 2.021 1.00 0.00 C ATOM 1675 O GLN A 102 8.112 -5.682 2.192 1.00 0.00 O ATOM 1676 CB GLN A 102 10.896 -3.918 1.812 1.00 0.00 C ATOM 1677 CG GLN A 102 11.302 -5.080 2.682 1.00 0.00 C ATOM 1678 CD GLN A 102 12.583 -4.833 3.454 1.00 0.00 C ATOM 1679 OE1 GLN A 102 12.914 -3.697 3.799 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.311 -5.899 3.739 1.00 0.00 N ATOM 0 H GLN A 102 9.907 -2.210 0.412 1.00 0.00 H new ATOM 0 HA GLN A 102 9.730 -5.008 0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.694 -3.709 1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.783 -3.029 2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.498 -5.296 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.427 -5.965 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.003 -6.823 3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.181 -5.798 4.262 1.00 0.00 H new ATOM 1689 N ASP A 103 7.917 -3.487 2.639 1.00 0.00 N ATOM 1690 CA ASP A 103 6.825 -3.646 3.589 1.00 0.00 C ATOM 1691 C ASP A 103 5.601 -4.274 2.927 1.00 0.00 C ATOM 1692 O ASP A 103 5.034 -5.237 3.443 1.00 0.00 O ATOM 1693 CB ASP A 103 6.464 -2.282 4.181 1.00 0.00 C ATOM 1694 CG ASP A 103 5.191 -2.300 5.002 1.00 0.00 C ATOM 1695 OD1 ASP A 103 4.094 -2.381 4.453 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.223 -2.187 6.227 1.00 0.00 O ATOM 0 H ASP A 103 8.208 -2.520 2.498 1.00 0.00 H new ATOM 0 HA ASP A 103 7.152 -4.316 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.287 -1.937 4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.355 -1.560 3.372 1.00 0.00 H new ATOM 1701 N GLU A 104 5.204 -3.731 1.778 1.00 0.00 N ATOM 1702 CA GLU A 104 4.008 -4.203 1.081 1.00 0.00 C ATOM 1703 C GLU A 104 4.189 -5.628 0.581 1.00 0.00 C ATOM 1704 O GLU A 104 3.216 -6.365 0.428 1.00 0.00 O ATOM 1705 CB GLU A 104 3.663 -3.289 -0.091 1.00 0.00 C ATOM 1706 CG GLU A 104 3.433 -1.843 0.306 1.00 0.00 C ATOM 1707 CD GLU A 104 2.141 -1.602 1.070 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.545 -2.558 1.639 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.711 -0.432 1.124 1.00 0.00 O ATOM 0 H GLU A 104 5.691 -2.966 1.311 1.00 0.00 H new ATOM 0 HA GLU A 104 3.187 -4.186 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.470 -3.331 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.767 -3.668 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.271 -1.509 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.430 -1.228 -0.594 1.00 0.00 H new ATOM 1716 N GLN A 105 5.432 -6.018 0.329 1.00 0.00 N ATOM 1717 CA GLN A 105 5.724 -7.392 -0.052 1.00 0.00 C ATOM 1718 C GLN A 105 5.298 -8.330 1.064 1.00 0.00 C ATOM 1719 O GLN A 105 4.625 -9.332 0.827 1.00 0.00 O ATOM 1720 CB GLN A 105 7.210 -7.582 -0.336 1.00 0.00 C ATOM 1721 CG GLN A 105 7.705 -6.874 -1.586 1.00 0.00 C ATOM 1722 CD GLN A 105 9.167 -7.161 -1.862 1.00 0.00 C ATOM 1723 OE1 GLN A 105 9.674 -8.228 -1.512 1.00 0.00 O ATOM 1724 NE2 GLN A 105 9.851 -6.227 -2.503 1.00 0.00 N ATOM 0 H GLN A 105 6.247 -5.407 0.381 1.00 0.00 H new ATOM 0 HA GLN A 105 5.169 -7.619 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.780 -7.222 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.416 -8.648 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.107 -7.188 -2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.562 -5.799 -1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.394 -5.357 -2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.835 -6.377 -2.725 1.00 0.00 H new ATOM 1733 N ARG A 106 5.670 -7.973 2.286 1.00 0.00 N ATOM 1734 CA ARG A 106 5.298 -8.751 3.457 1.00 0.00 C ATOM 1735 C ARG A 106 3.791 -8.685 3.678 1.00 0.00 C ATOM 1736 O ARG A 106 3.190 -9.636 4.179 1.00 0.00 O ATOM 1737 CB ARG A 106 6.044 -8.249 4.693 1.00 0.00 C ATOM 1738 CG ARG A 106 7.557 -8.318 4.555 1.00 0.00 C ATOM 1739 CD ARG A 106 8.030 -9.735 4.270 1.00 0.00 C ATOM 1740 NE ARG A 106 7.831 -10.624 5.412 1.00 0.00 N ATOM 1741 CZ ARG A 106 7.894 -11.953 5.344 1.00 0.00 C ATOM 1742 NH1 ARG A 106 8.010 -12.565 4.174 1.00 0.00 N ATOM 1743 NH2 ARG A 106 7.800 -12.670 6.451 1.00 0.00 N ATOM 0 H ARG A 106 6.231 -7.146 2.491 1.00 0.00 H new ATOM 0 HA ARG A 106 5.578 -9.790 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.751 -7.218 4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.738 -8.839 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.880 -7.657 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.023 -7.956 5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.493 -10.129 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.087 -9.717 4.006 1.00 0.00 H new ATOM 0 HE ARG A 106 7.631 -10.201 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.052 -12.018 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.057 -13.583 4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.680 -12.205 7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.848 -13.688 6.405 1.00 0.00 H new ATOM 1757 N HIS A 107 3.189 -7.555 3.309 1.00 0.00 N ATOM 1758 CA HIS A 107 1.739 -7.405 3.373 1.00 0.00 C ATOM 1759 C HIS A 107 1.062 -8.461 2.500 1.00 0.00 C ATOM 1760 O HIS A 107 0.185 -9.191 2.956 1.00 0.00 O ATOM 1761 CB HIS A 107 1.303 -6.000 2.919 1.00 0.00 C ATOM 1762 CG HIS A 107 1.446 -4.939 3.974 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.631 -3.819 4.070 1.00 0.00 N ATOM 1764 CD2 HIS A 107 2.315 -4.860 5.010 1.00 0.00 C ATOM 1765 CE1 HIS A 107 1.025 -3.126 5.156 1.00 0.00 C ATOM 1766 NE2 HIS A 107 2.050 -3.710 5.752 1.00 0.00 N ATOM 0 H HIS A 107 3.683 -6.732 2.963 1.00 0.00 H new ATOM 0 HA HIS A 107 1.434 -7.540 4.411 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.893 -5.713 2.048 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.262 -6.041 2.599 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.093 -5.577 5.228 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.563 -2.211 5.496 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.545 -3.386 6.583 1.00 0.00 H new ATOM 1773 N VAL A 108 1.508 -8.557 1.252 1.00 0.00 N ATOM 1774 CA VAL A 108 0.935 -9.501 0.298 1.00 0.00 C ATOM 1775 C VAL A 108 1.241 -10.943 0.690 1.00 0.00 C ATOM 1776 O VAL A 108 0.364 -11.803 0.633 1.00 0.00 O ATOM 1777 CB VAL A 108 1.445 -9.234 -1.135 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.907 -10.270 -2.114 1.00 0.00 C ATOM 1779 CG2 VAL A 108 1.053 -7.836 -1.577 1.00 0.00 C ATOM 0 H VAL A 108 2.268 -7.990 0.876 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.145 -9.354 0.318 1.00 0.00 H new ATOM 0 HB VAL A 108 2.532 -9.313 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.283 -10.055 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.234 -11.264 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.182 -10.233 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.418 -7.659 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.033 -7.740 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.492 -7.104 -0.899 1.00 0.00 H new ATOM 1789 N GLU A 109 2.484 -11.202 1.100 1.00 0.00 N ATOM 1790 CA GLU A 109 2.884 -12.544 1.519 1.00 0.00 C ATOM 1791 C GLU A 109 2.028 -13.030 2.686 1.00 0.00 C ATOM 1792 O GLU A 109 1.726 -14.218 2.794 1.00 0.00 O ATOM 1793 CB GLU A 109 4.366 -12.584 1.911 1.00 0.00 C ATOM 1794 CG GLU A 109 5.318 -12.332 0.751 1.00 0.00 C ATOM 1795 CD GLU A 109 6.769 -12.514 1.145 1.00 0.00 C ATOM 1796 OE1 GLU A 109 7.386 -11.547 1.641 1.00 0.00 O ATOM 1797 OE2 GLU A 109 7.305 -13.629 0.958 1.00 0.00 O ATOM 0 H GLU A 109 3.226 -10.504 1.150 1.00 0.00 H new ATOM 0 HA GLU A 109 2.731 -13.209 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.547 -11.838 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.590 -13.557 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.078 -13.012 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.170 -11.319 0.377 1.00 0.00 H new ATOM 1804 N GLU A 110 1.658 -12.113 3.571 1.00 0.00 N ATOM 1805 CA GLU A 110 0.809 -12.454 4.700 1.00 0.00 C ATOM 1806 C GLU A 110 -0.622 -12.733 4.236 1.00 0.00 C ATOM 1807 O GLU A 110 -1.239 -13.708 4.663 1.00 0.00 O ATOM 1808 CB GLU A 110 0.839 -11.336 5.742 1.00 0.00 C ATOM 1809 CG GLU A 110 0.206 -11.721 7.069 1.00 0.00 C ATOM 1810 CD GLU A 110 0.724 -13.043 7.607 1.00 0.00 C ATOM 1811 OE1 GLU A 110 1.953 -13.272 7.577 1.00 0.00 O ATOM 1812 OE2 GLU A 110 -0.099 -13.863 8.065 1.00 0.00 O ATOM 0 H GLU A 110 1.932 -11.132 3.527 1.00 0.00 H new ATOM 0 HA GLU A 110 1.193 -13.363 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.874 -11.040 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.321 -10.464 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.399 -10.936 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.875 -11.783 6.946 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.140 -11.872 3.361 1.00 0.00 N ATOM 1820 CA ILE A 111 -2.495 -12.032 2.835 1.00 0.00 C ATOM 1821 C ILE A 111 -2.629 -13.335 2.051 1.00 0.00 C ATOM 1822 O ILE A 111 -3.404 -14.221 2.418 1.00 0.00 O ATOM 1823 CB ILE A 111 -2.891 -10.864 1.896 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -2.838 -9.519 2.625 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.282 -11.098 1.318 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -3.881 -9.358 3.708 1.00 0.00 C ATOM 0 H ILE A 111 -0.642 -11.057 3.002 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.159 -12.043 3.699 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.169 -10.831 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.849 -9.397 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.961 -8.718 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.547 -10.270 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.288 -12.028 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.007 -11.163 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.774 -8.378 4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.876 -9.445 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.746 -10.134 4.461 1.00 0.00 H new ATOM 1838 N GLU A 112 -1.840 -13.456 0.994 1.00 0.00 N ATOM 1839 CA GLU A 112 -1.991 -14.532 0.043 1.00 0.00 C ATOM 1840 C GLU A 112 -1.052 -15.681 0.378 1.00 0.00 C ATOM 1841 O GLU A 112 -0.075 -15.940 -0.327 1.00 0.00 O ATOM 1842 CB GLU A 112 -1.747 -14.017 -1.377 1.00 0.00 C ATOM 1843 CG GLU A 112 -2.687 -12.890 -1.774 1.00 0.00 C ATOM 1844 CD GLU A 112 -2.615 -12.558 -3.249 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -3.322 -13.216 -4.039 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -1.863 -11.637 -3.628 1.00 0.00 O ATOM 0 H GLU A 112 -1.081 -12.810 0.777 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.012 -14.910 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.717 -13.669 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.861 -14.842 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.709 -13.169 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.445 -12.000 -1.194 1.00 0.00 H new ATOM 1853 N LYS A 113 -1.347 -16.328 1.497 1.00 0.00 N ATOM 1854 CA LYS A 113 -0.637 -17.536 1.929 1.00 0.00 C ATOM 1855 C LYS A 113 -0.551 -18.560 0.795 1.00 0.00 C ATOM 1856 O LYS A 113 0.503 -19.155 0.556 1.00 0.00 O ATOM 1857 CB LYS A 113 -1.360 -18.170 3.121 1.00 0.00 C ATOM 1858 CG LYS A 113 -1.406 -17.296 4.364 1.00 0.00 C ATOM 1859 CD LYS A 113 -0.050 -17.209 5.053 1.00 0.00 C ATOM 1860 CE LYS A 113 -0.134 -16.381 6.325 1.00 0.00 C ATOM 1861 NZ LYS A 113 1.162 -16.310 7.047 1.00 0.00 N ATOM 0 H LYS A 113 -2.086 -16.034 2.136 1.00 0.00 H new ATOM 0 HA LYS A 113 0.373 -17.245 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.380 -18.413 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -0.868 -19.110 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -1.738 -16.295 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.142 -17.697 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 113 0.305 -18.212 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 113 0.678 -16.765 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.463 -15.372 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -0.890 -16.809 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 1.092 -15.616 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.391 -17.244 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 1.912 -16.020 6.387 1.00 0.00 H new ATOM 1875 N LYS A 114 -1.668 -18.766 0.107 1.00 0.00 N ATOM 1876 CA LYS A 114 -1.714 -19.705 -1.003 1.00 0.00 C ATOM 1877 C LYS A 114 -2.001 -18.989 -2.313 1.00 0.00 C ATOM 1878 O LYS A 114 -3.157 -18.794 -2.691 1.00 0.00 O ATOM 1879 CB LYS A 114 -2.762 -20.794 -0.775 1.00 0.00 C ATOM 1880 CG LYS A 114 -2.458 -21.706 0.399 1.00 0.00 C ATOM 1881 CD LYS A 114 -3.404 -22.894 0.433 1.00 0.00 C ATOM 1882 CE LYS A 114 -3.095 -23.819 1.596 1.00 0.00 C ATOM 1883 NZ LYS A 114 -3.939 -25.042 1.567 1.00 0.00 N ATOM 0 H LYS A 114 -2.552 -18.295 0.299 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.733 -20.175 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.732 -20.323 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.847 -21.398 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.429 -22.059 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.542 -21.145 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.432 -22.540 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.329 -23.447 -0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.043 -24.102 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.255 -23.289 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.699 -25.649 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.942 -24.773 1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.767 -25.561 0.682 1.00 0.00 H new ATOM 1897 N ASN A 115 -0.941 -18.580 -2.980 1.00 0.00 N ATOM 1898 CA ASN A 115 -1.039 -18.002 -4.310 1.00 0.00 C ATOM 1899 C ASN A 115 0.086 -18.562 -5.165 1.00 0.00 C ATOM 1900 O ASN A 115 -0.176 -19.511 -5.934 1.00 0.00 O ATOM 1901 CB ASN A 115 -0.994 -16.463 -4.260 1.00 0.00 C ATOM 1902 CG ASN A 115 -1.123 -15.807 -5.632 1.00 0.00 C ATOM 1903 OD1 ASN A 115 -0.667 -16.331 -6.649 1.00 0.00 O ATOM 1904 ND2 ASN A 115 -1.764 -14.653 -5.677 1.00 0.00 N ATOM 1905 OXT ASN A 115 1.237 -18.091 -5.032 1.00 0.00 O ATOM 0 H ASN A 115 0.011 -18.637 -2.619 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.999 -18.269 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.798 -16.104 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -0.056 -16.149 -3.802 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.891 -14.175 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.132 -14.240 -4.820 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.579 -1.985 6.017 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.990 0.999 1.427 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 0.010 -2.851 2.047 1.00 0.00 ZN