USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ 156:sc= 0.625 (180deg=-2.54!) USER MOD Set 1.2: A 37 ASN : amide:sc= 0.886 K(o=1.5,f=-12!) USER MOD Set 2.1: A 17 GLN : amide:sc= -5.61! C(o=-6.3!,f=-9.4!) USER MOD Set 2.2: A 32 ASN : amide:sc= -0.717! C(o=-6.3!,f=-21!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -166:sc= -0.85! (180deg=-0.127) USER MOD Set 3.2: A 55 THR OG1 : rot -21:sc= 1.25! USER MOD Single : A 1 MET CE :methyl -152:sc= -0.255 (180deg=-1.52!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -7.29! C(o=-9.3!,f=-7.3!) USER MOD Single : A 5 ASN : amide:sc= -2.55! C(o=-2.6!,f=-4!) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 1.04 (180deg=0.742) USER MOD Single : A 12 LYS NZ :NH3+ 145:sc= 0.201 (180deg=0.00114) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 150:sc= 0.688 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.026 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.64 K(o=-2.6,f=-3.6!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.367 K(o=-0.37,f=-0.98) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0134 (180deg=-0.235) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.99!) USER MOD Single : A 62 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.34) USER MOD Single : A 64 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.728 10.824 -0.461 1.00 0.00 N ATOM 2 CA MET A 1 6.521 10.601 -1.250 1.00 0.00 C ATOM 3 C MET A 1 6.840 10.065 -2.631 1.00 0.00 C ATOM 4 O MET A 1 6.362 8.995 -3.013 1.00 0.00 O ATOM 5 CB MET A 1 5.700 11.883 -1.361 1.00 0.00 C ATOM 6 CG MET A 1 4.875 12.078 -0.090 1.00 0.00 C ATOM 7 SD MET A 1 3.798 10.639 0.136 1.00 0.00 S ATOM 8 CE MET A 1 2.810 10.841 -1.374 1.00 0.00 C ATOM 0 H1 MET A 1 7.467 11.191 0.477 1.00 0.00 H new ATOM 0 H2 MET A 1 8.242 9.926 -0.351 1.00 0.00 H new ATOM 0 H3 MET A 1 8.337 11.514 -0.945 1.00 0.00 H new ATOM 0 HA MET A 1 5.932 9.848 -0.727 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.360 12.737 -1.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.042 11.831 -2.229 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.532 12.196 0.772 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.279 12.987 -0.163 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.819 10.415 -1.220 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.717 11.901 -1.609 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.301 10.328 -2.201 1.00 0.00 H new ATOM 18 N ILE A 2 7.659 10.795 -3.368 1.00 0.00 N ATOM 19 CA ILE A 2 8.059 10.393 -4.713 1.00 0.00 C ATOM 20 C ILE A 2 8.915 9.119 -4.657 1.00 0.00 C ATOM 21 O ILE A 2 10.011 9.054 -5.223 1.00 0.00 O ATOM 22 CB ILE A 2 8.823 11.543 -5.393 1.00 0.00 C ATOM 23 CG1 ILE A 2 10.023 11.979 -4.511 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.873 12.727 -5.645 1.00 0.00 C ATOM 25 CD1 ILE A 2 9.658 13.181 -3.626 1.00 0.00 C ATOM 0 H ILE A 2 8.065 11.678 -3.057 1.00 0.00 H new ATOM 0 HA ILE A 2 7.169 10.173 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 2 9.209 11.199 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.338 11.145 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.870 12.237 -5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.421 13.537 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.056 12.407 -6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.468 13.077 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 2 10.520 13.462 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.368 14.022 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.827 12.913 -2.973 1.00 0.00 H new ATOM 37 N ILE A 3 8.431 8.150 -3.902 1.00 0.00 N ATOM 38 CA ILE A 3 9.129 6.904 -3.646 1.00 0.00 C ATOM 39 C ILE A 3 8.236 5.738 -4.111 1.00 0.00 C ATOM 40 O ILE A 3 7.314 5.955 -4.917 1.00 0.00 O ATOM 41 CB ILE A 3 9.439 6.828 -2.131 1.00 0.00 C ATOM 42 CG1 ILE A 3 10.146 8.124 -1.701 1.00 0.00 C ATOM 43 CG2 ILE A 3 10.368 5.654 -1.825 1.00 0.00 C ATOM 44 CD1 ILE A 3 10.363 8.115 -0.188 1.00 0.00 C ATOM 0 H ILE A 3 7.523 8.209 -3.440 1.00 0.00 H new ATOM 0 HA ILE A 3 10.070 6.846 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 3 8.501 6.694 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 3 11.103 8.215 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 3 9.547 8.989 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.572 5.621 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.892 4.723 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 3 11.304 5.780 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.864 9.035 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.400 8.044 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.980 7.259 0.086 1.00 0.00 H new ATOM 56 N ASN A 4 8.505 4.512 -3.644 1.00 0.00 N ATOM 57 CA ASN A 4 7.722 3.357 -4.099 1.00 0.00 C ATOM 58 C ASN A 4 6.250 3.581 -3.874 1.00 0.00 C ATOM 59 O ASN A 4 5.438 3.209 -4.713 1.00 0.00 O ATOM 60 CB ASN A 4 8.142 2.050 -3.405 1.00 0.00 C ATOM 61 CG ASN A 4 7.701 2.024 -1.941 1.00 0.00 C ATOM 62 OD1 ASN A 4 8.581 2.071 -1.004 1.00 0.00 O flip ATOM 63 ND2 ASN A 4 6.511 1.953 -1.650 1.00 0.00 N flip ATOM 0 H ASN A 4 9.239 4.297 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 4 7.922 3.256 -5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.706 1.201 -3.932 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.225 1.939 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.807 1.915 -2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.226 1.932 -0.671 1.00 0.00 H new ATOM 70 N ASN A 5 5.917 4.163 -2.724 1.00 0.00 N ATOM 71 CA ASN A 5 4.525 4.413 -2.343 1.00 0.00 C ATOM 72 C ASN A 5 3.818 3.096 -2.057 1.00 0.00 C ATOM 73 O ASN A 5 3.566 2.305 -2.967 1.00 0.00 O ATOM 74 CB ASN A 5 3.787 5.177 -3.447 1.00 0.00 C ATOM 75 CG ASN A 5 3.085 6.411 -2.893 1.00 0.00 C ATOM 76 OD1 ASN A 5 3.384 6.865 -1.784 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.165 6.987 -3.598 1.00 0.00 N ATOM 0 H ASN A 5 6.599 4.474 -2.032 1.00 0.00 H new ATOM 0 HA ASN A 5 4.520 5.025 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.494 5.475 -4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.056 4.521 -3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.689 7.814 -3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.916 6.614 -4.514 1.00 0.00 H new ATOM 84 N LEU A 6 3.471 2.873 -0.802 1.00 0.00 N ATOM 85 CA LEU A 6 2.858 1.612 -0.400 1.00 0.00 C ATOM 86 C LEU A 6 1.578 1.375 -1.180 1.00 0.00 C ATOM 87 O LEU A 6 1.335 0.270 -1.675 1.00 0.00 O ATOM 88 CB LEU A 6 2.584 1.605 1.119 1.00 0.00 C ATOM 89 CG LEU A 6 2.002 0.245 1.582 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.493 0.184 1.309 1.00 0.00 C ATOM 91 CD2 LEU A 6 2.708 -0.924 0.869 1.00 0.00 C ATOM 0 H LEU A 6 3.601 3.543 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 6 3.550 0.801 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.509 1.809 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.887 2.405 1.368 1.00 0.00 H new ATOM 0 HG LEU A 6 2.173 0.155 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.102 -0.778 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.008 0.986 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.312 0.301 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.283 -1.868 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.568 -0.831 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.773 -0.901 1.100 1.00 0.00 H new ATOM 103 N LYS A 7 0.789 2.416 -1.354 1.00 0.00 N ATOM 104 CA LYS A 7 -0.429 2.279 -2.135 1.00 0.00 C ATOM 105 C LYS A 7 -0.112 1.837 -3.559 1.00 0.00 C ATOM 106 O LYS A 7 -0.798 0.980 -4.120 1.00 0.00 O ATOM 107 CB LYS A 7 -1.270 3.561 -2.113 1.00 0.00 C ATOM 108 CG LYS A 7 -0.399 4.785 -2.366 1.00 0.00 C ATOM 109 CD LYS A 7 -1.186 6.039 -1.975 1.00 0.00 C ATOM 110 CE LYS A 7 -0.233 7.034 -1.331 1.00 0.00 C ATOM 111 NZ LYS A 7 -0.802 8.401 -1.377 1.00 0.00 N ATOM 0 H LYS A 7 0.961 3.348 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.034 1.501 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.051 3.502 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.769 3.657 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.521 4.720 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.110 4.832 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.655 6.480 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.987 5.781 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.043 6.747 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.726 7.015 -1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.334 8.996 -0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.650 8.809 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.822 8.359 -1.178 1.00 0.00 H new ATOM 125 N LEU A 8 0.979 2.354 -4.101 1.00 0.00 N ATOM 126 CA LEU A 8 1.451 1.926 -5.409 1.00 0.00 C ATOM 127 C LEU A 8 1.912 0.469 -5.365 1.00 0.00 C ATOM 128 O LEU A 8 1.675 -0.295 -6.288 1.00 0.00 O ATOM 129 CB LEU A 8 2.564 2.832 -5.931 1.00 0.00 C ATOM 130 CG LEU A 8 2.015 4.248 -6.180 1.00 0.00 C ATOM 131 CD1 LEU A 8 3.146 5.168 -6.642 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.918 4.210 -7.247 1.00 0.00 C ATOM 0 H LEU A 8 1.554 3.070 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 8 0.614 2.004 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.381 2.871 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.973 2.424 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 8 1.593 4.629 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.752 6.169 -6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.917 5.211 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.576 4.781 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.538 5.218 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.329 3.818 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.105 3.567 -6.910 1.00 0.00 H new ATOM 144 N ILE A 9 2.550 0.076 -4.273 1.00 0.00 N ATOM 145 CA ILE A 9 3.029 -1.300 -4.150 1.00 0.00 C ATOM 146 C ILE A 9 1.884 -2.276 -4.418 1.00 0.00 C ATOM 147 O ILE A 9 2.095 -3.384 -4.928 1.00 0.00 O ATOM 148 CB ILE A 9 3.642 -1.560 -2.755 1.00 0.00 C ATOM 149 CG1 ILE A 9 4.816 -0.602 -2.497 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.154 -3.000 -2.667 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.930 -0.839 -3.522 1.00 0.00 C ATOM 0 H ILE A 9 2.747 0.674 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 9 3.813 -1.455 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 9 2.867 -1.395 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.472 0.430 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.202 -0.752 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.584 -3.174 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.327 -3.691 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.916 -3.162 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.755 -0.154 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.285 -1.866 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.543 -0.666 -4.526 1.00 0.00 H new ATOM 163 N ARG A 10 0.677 -1.864 -4.075 1.00 0.00 N ATOM 164 CA ARG A 10 -0.499 -2.699 -4.263 1.00 0.00 C ATOM 165 C ARG A 10 -0.727 -3.025 -5.746 1.00 0.00 C ATOM 166 O ARG A 10 -0.932 -4.192 -6.095 1.00 0.00 O ATOM 167 CB ARG A 10 -1.720 -1.998 -3.672 1.00 0.00 C ATOM 168 CG ARG A 10 -1.608 -2.017 -2.143 1.00 0.00 C ATOM 169 CD ARG A 10 -2.755 -1.219 -1.529 1.00 0.00 C ATOM 170 NE ARG A 10 -2.716 -1.314 -0.070 1.00 0.00 N ATOM 171 CZ ARG A 10 -3.441 -0.508 0.709 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.123 0.471 0.182 1.00 0.00 N ATOM 173 NH2 ARG A 10 -3.455 -0.680 1.997 1.00 0.00 N ATOM 0 H ARG A 10 0.483 -0.951 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.338 -3.645 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.778 -0.971 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.634 -2.500 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.633 -3.045 -1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.652 -1.593 -1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.685 -0.175 -1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.708 -1.596 -1.899 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.118 -2.016 0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.103 0.622 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.677 1.086 0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.910 -1.433 2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.010 -0.062 2.588 1.00 0.00 H new ATOM 187 N GLU A 11 -0.565 -2.031 -6.629 1.00 0.00 N ATOM 188 CA GLU A 11 -0.628 -2.308 -8.068 1.00 0.00 C ATOM 189 C GLU A 11 0.607 -3.079 -8.488 1.00 0.00 C ATOM 190 O GLU A 11 0.548 -3.982 -9.328 1.00 0.00 O ATOM 191 CB GLU A 11 -0.780 -1.025 -8.912 1.00 0.00 C ATOM 192 CG GLU A 11 0.301 -0.011 -8.545 1.00 0.00 C ATOM 193 CD GLU A 11 0.504 0.969 -9.676 1.00 0.00 C ATOM 194 OE1 GLU A 11 -0.211 1.938 -9.732 1.00 0.00 O ATOM 195 OE2 GLU A 11 1.381 0.741 -10.473 1.00 0.00 O ATOM 0 H GLU A 11 -0.394 -1.056 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.519 -2.908 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.712 -1.270 -9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.766 -0.590 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.016 0.523 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.236 -0.528 -8.330 1.00 0.00 H new ATOM 202 N LYS A 12 1.729 -2.742 -7.863 1.00 0.00 N ATOM 203 CA LYS A 12 2.983 -3.408 -8.148 1.00 0.00 C ATOM 204 C LYS A 12 2.870 -4.878 -7.812 1.00 0.00 C ATOM 205 O LYS A 12 3.255 -5.737 -8.606 1.00 0.00 O ATOM 206 CB LYS A 12 4.110 -2.770 -7.342 1.00 0.00 C ATOM 207 CG LYS A 12 4.351 -1.359 -7.876 1.00 0.00 C ATOM 208 CD LYS A 12 5.479 -0.685 -7.099 1.00 0.00 C ATOM 209 CE LYS A 12 5.708 0.703 -7.688 1.00 0.00 C ATOM 210 NZ LYS A 12 6.805 1.401 -6.960 1.00 0.00 N ATOM 0 H LYS A 12 1.790 -2.010 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 12 3.209 -3.303 -9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.846 -2.735 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.019 -3.366 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.605 -1.402 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.438 -0.769 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.220 -0.611 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.391 -1.279 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.960 0.619 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.791 1.288 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.345 1.989 -7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.399 2.004 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.438 0.698 -6.528 1.00 0.00 H new ATOM 224 N LYS A 13 2.229 -5.170 -6.687 1.00 0.00 N ATOM 225 CA LYS A 13 1.935 -6.546 -6.313 1.00 0.00 C ATOM 226 C LYS A 13 0.586 -6.972 -6.885 1.00 0.00 C ATOM 227 O LYS A 13 0.037 -8.003 -6.505 1.00 0.00 O ATOM 228 CB LYS A 13 2.006 -6.758 -4.789 1.00 0.00 C ATOM 229 CG LYS A 13 2.274 -8.254 -4.499 1.00 0.00 C ATOM 230 CD LYS A 13 3.465 -8.418 -3.537 1.00 0.00 C ATOM 231 CE LYS A 13 4.743 -8.668 -4.350 1.00 0.00 C ATOM 232 NZ LYS A 13 5.203 -7.391 -4.937 1.00 0.00 N ATOM 0 H LYS A 13 1.903 -4.472 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 13 2.705 -7.185 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.798 -6.144 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.072 -6.446 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.384 -8.710 -4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.479 -8.779 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.579 -7.523 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.285 -9.250 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.519 -9.088 -3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.551 -9.396 -5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.915 -7.583 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.395 -6.893 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.623 -6.798 -4.193 1.00 0.00 H new ATOM 246 N LYS A 14 0.107 -6.189 -7.854 1.00 0.00 N ATOM 247 CA LYS A 14 -1.120 -6.467 -8.602 1.00 0.00 C ATOM 248 C LYS A 14 -2.281 -6.921 -7.723 1.00 0.00 C ATOM 249 O LYS A 14 -3.021 -7.849 -8.084 1.00 0.00 O ATOM 250 CB LYS A 14 -0.871 -7.458 -9.768 1.00 0.00 C ATOM 251 CG LYS A 14 -0.153 -8.735 -9.291 1.00 0.00 C ATOM 252 CD LYS A 14 1.367 -8.503 -9.201 1.00 0.00 C ATOM 253 CE LYS A 14 2.094 -9.453 -10.156 1.00 0.00 C ATOM 254 NZ LYS A 14 2.193 -8.829 -11.496 1.00 0.00 N ATOM 0 H LYS A 14 0.570 -5.328 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.424 -5.512 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.823 -7.726 -10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.272 -6.971 -10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.539 -9.033 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.361 -9.554 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.602 -7.469 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.709 -8.667 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.090 -9.678 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.557 -10.399 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.687 -9.475 -12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.238 -8.636 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.723 -7.937 -11.425 1.00 0.00 H new ATOM 268 N ILE A 15 -2.474 -6.244 -6.604 1.00 0.00 N ATOM 269 CA ILE A 15 -3.574 -6.566 -5.701 1.00 0.00 C ATOM 270 C ILE A 15 -4.417 -5.330 -5.368 1.00 0.00 C ATOM 271 O ILE A 15 -3.885 -4.280 -4.983 1.00 0.00 O ATOM 272 CB ILE A 15 -3.029 -7.230 -4.429 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.970 -6.325 -3.787 1.00 0.00 C ATOM 274 CG2 ILE A 15 -2.398 -8.585 -4.779 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.507 -6.940 -2.472 1.00 0.00 C ATOM 0 H ILE A 15 -1.887 -5.469 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.235 -7.270 -6.206 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.849 -7.384 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.123 -6.203 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.383 -5.332 -3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.013 -9.052 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.151 -9.232 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.581 -8.435 -5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.754 -6.298 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.357 -7.039 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.078 -7.924 -2.662 1.00 0.00 H new ATOM 287 N SER A 16 -5.730 -5.455 -5.535 1.00 0.00 N ATOM 288 CA SER A 16 -6.655 -4.362 -5.271 1.00 0.00 C ATOM 289 C SER A 16 -6.924 -4.199 -3.768 1.00 0.00 C ATOM 290 O SER A 16 -6.700 -5.121 -2.984 1.00 0.00 O ATOM 291 CB SER A 16 -7.947 -4.573 -6.059 1.00 0.00 C ATOM 292 OG SER A 16 -7.946 -5.895 -6.616 1.00 0.00 O ATOM 0 H SER A 16 -6.179 -6.313 -5.856 1.00 0.00 H new ATOM 0 HA SER A 16 -6.197 -3.431 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.811 -4.440 -5.408 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.029 -3.830 -6.853 1.00 0.00 H new ATOM 0 HG SER A 16 -8.868 -6.218 -6.694 1.00 0.00 H new ATOM 298 N GLN A 17 -7.286 -2.989 -3.362 1.00 0.00 N ATOM 299 CA GLN A 17 -7.432 -2.660 -1.941 1.00 0.00 C ATOM 300 C GLN A 17 -8.558 -3.414 -1.242 1.00 0.00 C ATOM 301 O GLN A 17 -8.373 -3.906 -0.130 1.00 0.00 O ATOM 302 CB GLN A 17 -7.630 -1.151 -1.751 1.00 0.00 C ATOM 303 CG GLN A 17 -6.561 -0.596 -0.810 1.00 0.00 C ATOM 304 CD GLN A 17 -6.831 -1.063 0.619 1.00 0.00 C ATOM 305 OE1 GLN A 17 -5.924 -1.539 1.298 1.00 0.00 O ATOM 306 NE2 GLN A 17 -8.022 -0.949 1.119 1.00 0.00 N ATOM 0 H GLN A 17 -7.485 -2.214 -3.995 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.502 -2.981 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.576 -0.645 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.622 -0.955 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.574 -0.930 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.558 0.493 -0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.776 -0.554 0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.205 -1.254 2.075 1.00 0.00 H new ATOM 315 N SER A 18 -9.748 -3.385 -1.813 1.00 0.00 N ATOM 316 CA SER A 18 -10.910 -3.923 -1.113 1.00 0.00 C ATOM 317 C SER A 18 -10.688 -5.387 -0.759 1.00 0.00 C ATOM 318 O SER A 18 -10.906 -5.803 0.379 1.00 0.00 O ATOM 319 CB SER A 18 -12.161 -3.772 -1.977 1.00 0.00 C ATOM 320 OG SER A 18 -12.244 -2.424 -2.461 1.00 0.00 O ATOM 0 H SER A 18 -9.939 -3.004 -2.740 1.00 0.00 H new ATOM 0 HA SER A 18 -11.050 -3.361 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.125 -4.469 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.050 -4.017 -1.396 1.00 0.00 H new ATOM 0 HG SER A 18 -13.045 -2.325 -3.017 1.00 0.00 H new ATOM 326 N GLU A 19 -10.181 -6.139 -1.713 1.00 0.00 N ATOM 327 CA GLU A 19 -9.842 -7.528 -1.492 1.00 0.00 C ATOM 328 C GLU A 19 -8.619 -7.639 -0.579 1.00 0.00 C ATOM 329 O GLU A 19 -8.581 -8.466 0.328 1.00 0.00 O ATOM 330 CB GLU A 19 -9.609 -8.246 -2.837 1.00 0.00 C ATOM 331 CG GLU A 19 -8.914 -7.301 -3.839 1.00 0.00 C ATOM 332 CD GLU A 19 -9.935 -6.496 -4.623 1.00 0.00 C ATOM 333 OE1 GLU A 19 -10.466 -5.557 -4.081 1.00 0.00 O ATOM 334 OE2 GLU A 19 -10.163 -6.818 -5.767 1.00 0.00 O ATOM 0 H GLU A 19 -9.993 -5.806 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.677 -8.020 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.997 -9.134 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.561 -8.583 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.246 -6.626 -3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.298 -7.882 -4.526 1.00 0.00 H new ATOM 341 N LEU A 20 -7.647 -6.759 -0.790 1.00 0.00 N ATOM 342 CA LEU A 20 -6.438 -6.731 0.034 1.00 0.00 C ATOM 343 C LEU A 20 -6.793 -6.438 1.480 1.00 0.00 C ATOM 344 O LEU A 20 -6.301 -7.089 2.402 1.00 0.00 O ATOM 345 CB LEU A 20 -5.477 -5.649 -0.488 1.00 0.00 C ATOM 346 CG LEU A 20 -4.246 -5.526 0.424 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.512 -6.863 0.501 1.00 0.00 C ATOM 348 CD2 LEU A 20 -3.307 -4.455 -0.137 1.00 0.00 C ATOM 0 H LEU A 20 -7.670 -6.053 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.954 -7.706 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.161 -5.895 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.994 -4.691 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.569 -5.244 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.642 -6.764 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.181 -7.623 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.188 -7.158 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.432 -4.364 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.991 -4.738 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.829 -3.499 -0.177 1.00 0.00 H new ATOM 360 N ALA A 21 -7.654 -5.463 1.672 1.00 0.00 N ATOM 361 CA ALA A 21 -8.070 -5.073 3.005 1.00 0.00 C ATOM 362 C ALA A 21 -8.681 -6.245 3.743 1.00 0.00 C ATOM 363 O ALA A 21 -8.673 -6.283 4.976 1.00 0.00 O ATOM 364 CB ALA A 21 -9.064 -3.932 2.939 1.00 0.00 C ATOM 0 H ALA A 21 -8.082 -4.923 0.920 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.186 -4.741 3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.365 -3.653 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.602 -3.075 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.941 -4.246 2.373 1.00 0.00 H new ATOM 370 N ALA A 22 -9.180 -7.219 2.990 1.00 0.00 N ATOM 371 CA ALA A 22 -9.765 -8.409 3.592 1.00 0.00 C ATOM 372 C ALA A 22 -8.759 -9.061 4.519 1.00 0.00 C ATOM 373 O ALA A 22 -9.127 -9.714 5.494 1.00 0.00 O ATOM 374 CB ALA A 22 -10.201 -9.407 2.517 1.00 0.00 C ATOM 0 H ALA A 22 -9.191 -7.208 1.970 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.645 -8.110 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.635 -10.287 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.943 -8.942 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.336 -9.704 1.924 1.00 0.00 H new ATOM 380 N LEU A 23 -7.483 -8.839 4.240 1.00 0.00 N ATOM 381 CA LEU A 23 -6.421 -9.337 5.097 1.00 0.00 C ATOM 382 C LEU A 23 -6.514 -8.687 6.462 1.00 0.00 C ATOM 383 O LEU A 23 -6.169 -9.291 7.472 1.00 0.00 O ATOM 384 CB LEU A 23 -5.039 -9.038 4.499 1.00 0.00 C ATOM 385 CG LEU A 23 -4.831 -9.820 3.196 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.462 -9.468 2.609 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.897 -11.325 3.474 1.00 0.00 C ATOM 0 H LEU A 23 -7.159 -8.317 3.426 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.541 -10.417 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.944 -7.969 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.262 -9.303 5.216 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.615 -9.554 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.310 -10.022 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.418 -8.398 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.681 -9.733 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.748 -11.874 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.117 -11.598 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.872 -11.576 3.891 1.00 0.00 H new ATOM 399 N LEU A 24 -6.845 -7.404 6.460 1.00 0.00 N ATOM 400 CA LEU A 24 -6.828 -6.593 7.670 1.00 0.00 C ATOM 401 C LEU A 24 -8.011 -6.906 8.581 1.00 0.00 C ATOM 402 O LEU A 24 -7.925 -6.719 9.797 1.00 0.00 O ATOM 403 CB LEU A 24 -6.860 -5.106 7.296 1.00 0.00 C ATOM 404 CG LEU A 24 -5.613 -4.743 6.473 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.712 -3.295 6.004 1.00 0.00 C ATOM 406 CD2 LEU A 24 -4.352 -4.916 7.323 1.00 0.00 C ATOM 0 H LEU A 24 -7.132 -6.897 5.623 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.912 -6.829 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.761 -4.886 6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.900 -4.496 8.199 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.556 -5.405 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.827 -3.040 5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.601 -3.173 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.778 -2.636 6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.475 -4.656 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.408 -4.263 8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.274 -5.952 7.651 1.00 0.00 H new ATOM 418 N GLU A 25 -9.131 -7.321 7.993 1.00 0.00 N ATOM 419 CA GLU A 25 -10.340 -7.594 8.777 1.00 0.00 C ATOM 420 C GLU A 25 -10.745 -6.365 9.595 1.00 0.00 C ATOM 421 O GLU A 25 -11.312 -6.488 10.688 1.00 0.00 O ATOM 422 CB GLU A 25 -10.113 -8.800 9.701 1.00 0.00 C ATOM 423 CG GLU A 25 -10.035 -10.085 8.868 1.00 0.00 C ATOM 424 CD GLU A 25 -11.404 -10.425 8.322 1.00 0.00 C ATOM 425 OE1 GLU A 25 -12.296 -10.626 9.116 1.00 0.00 O ATOM 426 OE2 GLU A 25 -11.545 -10.501 7.129 1.00 0.00 O ATOM 0 H GLU A 25 -9.230 -7.475 6.990 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.151 -7.828 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.192 -8.667 10.268 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.925 -8.873 10.424 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.328 -9.956 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.664 -10.906 9.482 1.00 0.00 H new ATOM 433 N VAL A 26 -10.452 -5.189 9.057 1.00 0.00 N ATOM 434 CA VAL A 26 -10.790 -3.927 9.703 1.00 0.00 C ATOM 435 C VAL A 26 -11.399 -2.953 8.697 1.00 0.00 C ATOM 436 O VAL A 26 -11.323 -3.170 7.477 1.00 0.00 O ATOM 437 CB VAL A 26 -9.560 -3.296 10.384 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.993 -4.252 11.441 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.479 -2.985 9.344 1.00 0.00 C ATOM 0 H VAL A 26 -9.974 -5.082 8.162 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.529 -4.139 10.476 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.870 -2.369 10.866 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.124 -3.796 11.916 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.754 -4.454 12.195 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.697 -5.187 10.965 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.616 -2.540 9.839 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.177 -3.907 8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.874 -2.287 8.606 1.00 0.00 H new ATOM 449 N SER A 27 -11.952 -1.865 9.209 1.00 0.00 N ATOM 450 CA SER A 27 -12.566 -0.818 8.399 1.00 0.00 C ATOM 451 C SER A 27 -11.694 -0.410 7.204 1.00 0.00 C ATOM 452 O SER A 27 -12.167 0.257 6.276 1.00 0.00 O ATOM 453 CB SER A 27 -12.873 0.400 9.278 1.00 0.00 C ATOM 454 OG SER A 27 -11.879 0.511 10.311 1.00 0.00 O ATOM 0 H SER A 27 -11.989 -1.679 10.211 1.00 0.00 H new ATOM 0 HA SER A 27 -13.492 -1.220 7.988 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.885 1.306 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.864 0.301 9.722 1.00 0.00 H new ATOM 0 HG SER A 27 -12.075 1.291 10.871 1.00 0.00 H new ATOM 460 N ARG A 28 -10.423 -0.804 7.222 1.00 0.00 N ATOM 461 CA ARG A 28 -9.499 -0.431 6.152 1.00 0.00 C ATOM 462 C ARG A 28 -10.026 -0.863 4.797 1.00 0.00 C ATOM 463 O ARG A 28 -9.632 -0.308 3.770 1.00 0.00 O ATOM 464 CB ARG A 28 -8.092 -1.010 6.388 1.00 0.00 C ATOM 465 CG ARG A 28 -7.170 0.110 6.885 1.00 0.00 C ATOM 466 CD ARG A 28 -7.625 0.574 8.274 1.00 0.00 C ATOM 467 NE ARG A 28 -7.167 1.934 8.535 1.00 0.00 N ATOM 468 CZ ARG A 28 -7.215 2.469 9.764 1.00 0.00 C ATOM 469 NH1 ARG A 28 -7.637 1.753 10.774 1.00 0.00 N ATOM 470 NH2 ARG A 28 -6.844 3.694 9.945 1.00 0.00 N ATOM 0 H ARG A 28 -10.011 -1.377 7.959 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.421 0.656 6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.134 -1.816 7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.701 -1.438 5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.141 -0.245 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.189 0.947 6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.712 0.531 8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.233 -0.100 9.035 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.801 2.492 7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.930 0.787 10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.673 2.161 11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.516 4.250 9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.879 4.105 10.878 1.00 0.00 H new ATOM 484 N GLN A 29 -10.952 -1.803 4.791 1.00 0.00 N ATOM 485 CA GLN A 29 -11.551 -2.224 3.541 1.00 0.00 C ATOM 486 C GLN A 29 -12.248 -1.038 2.894 1.00 0.00 C ATOM 487 O GLN A 29 -12.082 -0.789 1.703 1.00 0.00 O ATOM 488 CB GLN A 29 -12.526 -3.394 3.774 1.00 0.00 C ATOM 489 CG GLN A 29 -13.035 -3.946 2.432 1.00 0.00 C ATOM 490 CD GLN A 29 -13.869 -5.210 2.662 1.00 0.00 C ATOM 491 OE1 GLN A 29 -14.044 -5.658 3.868 1.00 0.00 O flip ATOM 492 NE2 GLN A 29 -14.373 -5.811 1.706 1.00 0.00 N flip ATOM 0 H GLN A 29 -11.300 -2.282 5.622 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.773 -2.581 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.027 -4.185 4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.368 -3.058 4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.637 -3.192 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.191 -4.172 1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.238 -5.463 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.923 -6.655 1.867 1.00 0.00 H new ATOM 501 N THR A 30 -12.941 -0.257 3.694 1.00 0.00 N ATOM 502 CA THR A 30 -13.558 0.960 3.210 1.00 0.00 C ATOM 503 C THR A 30 -12.605 2.167 3.275 1.00 0.00 C ATOM 504 O THR A 30 -12.515 2.949 2.321 1.00 0.00 O ATOM 505 CB THR A 30 -14.846 1.243 3.988 1.00 0.00 C ATOM 506 OG1 THR A 30 -14.674 0.834 5.341 1.00 0.00 O ATOM 507 CG2 THR A 30 -15.997 0.452 3.367 1.00 0.00 C ATOM 0 H THR A 30 -13.092 -0.443 4.685 1.00 0.00 H new ATOM 0 HA THR A 30 -13.801 0.807 2.158 1.00 0.00 H new ATOM 0 HB THR A 30 -15.071 2.309 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.495 1.015 5.844 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.915 0.652 3.919 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.126 0.753 2.327 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.772 -0.614 3.411 1.00 0.00 H new ATOM 515 N ILE A 31 -12.049 2.413 4.462 1.00 0.00 N ATOM 516 CA ILE A 31 -11.327 3.667 4.710 1.00 0.00 C ATOM 517 C ILE A 31 -9.950 3.735 4.048 1.00 0.00 C ATOM 518 O ILE A 31 -9.426 4.822 3.831 1.00 0.00 O ATOM 519 CB ILE A 31 -11.179 3.936 6.219 1.00 0.00 C ATOM 520 CG1 ILE A 31 -10.331 2.836 6.867 1.00 0.00 C ATOM 521 CG2 ILE A 31 -12.562 3.963 6.882 1.00 0.00 C ATOM 522 CD1 ILE A 31 -10.031 3.202 8.317 1.00 0.00 C ATOM 0 H ILE A 31 -12.082 1.774 5.256 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.942 4.440 4.249 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.689 4.900 6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.860 1.884 6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.400 2.709 6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.450 4.154 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.165 4.752 6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.055 3.002 6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.428 2.417 8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.484 4.144 8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.966 3.307 8.867 1.00 0.00 H new ATOM 534 N ASN A 32 -9.329 2.609 3.779 1.00 0.00 N ATOM 535 CA ASN A 32 -7.968 2.679 3.261 1.00 0.00 C ATOM 536 C ASN A 32 -7.916 3.412 1.939 1.00 0.00 C ATOM 537 O ASN A 32 -6.974 4.164 1.667 1.00 0.00 O ATOM 538 CB ASN A 32 -7.283 1.326 3.173 1.00 0.00 C ATOM 539 CG ASN A 32 -5.776 1.529 3.285 1.00 0.00 C ATOM 540 OD1 ASN A 32 -5.019 1.107 2.404 1.00 0.00 O ATOM 541 ND2 ASN A 32 -5.284 2.166 4.310 1.00 0.00 N ATOM 0 H ASN A 32 -9.715 1.673 3.900 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.400 3.254 3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.636 0.672 3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.529 0.839 2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.278 2.315 4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.905 2.516 5.039 1.00 0.00 H new ATOM 548 N GLY A 33 -8.940 3.219 1.126 1.00 0.00 N ATOM 549 CA GLY A 33 -9.016 3.904 -0.153 1.00 0.00 C ATOM 550 C GLY A 33 -8.958 5.413 0.057 1.00 0.00 C ATOM 551 O GLY A 33 -8.182 6.112 -0.612 1.00 0.00 O ATOM 0 H GLY A 33 -9.725 2.599 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.194 3.586 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.941 3.635 -0.664 1.00 0.00 H new ATOM 555 N ILE A 34 -9.695 5.906 1.052 1.00 0.00 N ATOM 556 CA ILE A 34 -9.607 7.311 1.414 1.00 0.00 C ATOM 557 C ILE A 34 -8.271 7.620 2.098 1.00 0.00 C ATOM 558 O ILE A 34 -7.638 8.642 1.802 1.00 0.00 O ATOM 559 CB ILE A 34 -10.829 7.794 2.236 1.00 0.00 C ATOM 560 CG1 ILE A 34 -10.648 9.274 2.663 1.00 0.00 C ATOM 561 CG2 ILE A 34 -11.077 6.899 3.447 1.00 0.00 C ATOM 562 CD1 ILE A 34 -10.146 9.373 4.113 1.00 0.00 C ATOM 0 H ILE A 34 -10.349 5.359 1.612 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.636 7.887 0.489 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.710 7.727 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.940 9.765 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.596 9.803 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.941 7.267 4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.268 5.879 3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.200 6.911 4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.028 10.422 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.868 8.903 4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.186 8.865 4.201 1.00 0.00 H new ATOM 574 N GLU A 35 -7.804 6.702 2.961 1.00 0.00 N ATOM 575 CA GLU A 35 -6.527 6.914 3.647 1.00 0.00 C ATOM 576 C GLU A 35 -5.403 7.067 2.645 1.00 0.00 C ATOM 577 O GLU A 35 -4.633 8.020 2.714 1.00 0.00 O ATOM 578 CB GLU A 35 -6.171 5.733 4.573 1.00 0.00 C ATOM 579 CG GLU A 35 -7.093 5.675 5.792 1.00 0.00 C ATOM 580 CD GLU A 35 -6.700 4.497 6.673 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.620 3.390 6.178 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.441 4.723 7.830 1.00 0.00 O ATOM 0 H GLU A 35 -8.279 5.830 3.193 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.641 7.821 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.244 4.799 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.136 5.828 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.024 6.604 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.130 5.573 5.472 1.00 0.00 H new ATOM 589 N LYS A 36 -5.359 6.167 1.669 1.00 0.00 N ATOM 590 CA LYS A 36 -4.315 6.202 0.654 1.00 0.00 C ATOM 591 C LYS A 36 -4.527 7.385 -0.259 1.00 0.00 C ATOM 592 O LYS A 36 -3.573 7.937 -0.823 1.00 0.00 O ATOM 593 CB LYS A 36 -4.263 4.854 -0.125 1.00 0.00 C ATOM 594 CG LYS A 36 -4.357 5.065 -1.658 1.00 0.00 C ATOM 595 CD LYS A 36 -5.827 5.045 -2.093 1.00 0.00 C ATOM 596 CE LYS A 36 -6.107 6.197 -3.074 1.00 0.00 C ATOM 597 NZ LYS A 36 -7.529 6.630 -2.950 1.00 0.00 N ATOM 0 H LYS A 36 -6.031 5.408 1.560 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.345 6.326 1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.335 4.333 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.081 4.214 0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.899 6.015 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.803 4.283 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.061 4.091 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.473 5.136 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.442 7.035 -2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.903 5.875 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.622 7.614 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.131 6.015 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.827 6.564 -1.956 1.00 0.00 H new ATOM 611 N ASN A 37 -5.774 7.798 -0.371 1.00 0.00 N ATOM 612 CA ASN A 37 -6.122 8.957 -1.164 1.00 0.00 C ATOM 613 C ASN A 37 -5.455 10.186 -0.588 1.00 0.00 C ATOM 614 O ASN A 37 -5.045 11.082 -1.318 1.00 0.00 O ATOM 615 CB ASN A 37 -7.634 9.169 -1.152 1.00 0.00 C ATOM 616 CG ASN A 37 -8.045 9.942 -2.378 1.00 0.00 C ATOM 617 OD1 ASN A 37 -7.980 9.408 -3.491 1.00 0.00 O ATOM 618 ND2 ASN A 37 -8.459 11.161 -2.251 1.00 0.00 N ATOM 0 H ASN A 37 -6.567 7.343 0.081 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.785 8.793 -2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.146 8.207 -1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.929 9.710 -0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.737 11.694 -3.075 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.508 11.589 -1.327 1.00 0.00 H new ATOM 625 N LYS A 38 -5.440 10.259 0.724 1.00 0.00 N ATOM 626 CA LYS A 38 -4.914 11.413 1.424 1.00 0.00 C ATOM 627 C LYS A 38 -3.455 11.220 1.833 1.00 0.00 C ATOM 628 O LYS A 38 -2.572 11.962 1.386 1.00 0.00 O ATOM 629 CB LYS A 38 -5.784 11.663 2.648 1.00 0.00 C ATOM 630 CG LYS A 38 -7.106 12.303 2.199 1.00 0.00 C ATOM 631 CD LYS A 38 -8.086 12.289 3.362 1.00 0.00 C ATOM 632 CE LYS A 38 -9.367 13.049 2.995 1.00 0.00 C ATOM 633 NZ LYS A 38 -9.352 14.379 3.646 1.00 0.00 N ATOM 0 H LYS A 38 -5.791 9.523 1.336 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.937 12.274 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.978 10.726 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.268 12.318 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.934 13.326 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.520 11.756 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.330 11.260 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.625 12.744 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.439 13.162 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.243 12.485 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.220 14.896 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.302 14.260 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.524 14.916 3.319 1.00 0.00 H new ATOM 647 N TYR A 39 -3.223 10.288 2.739 1.00 0.00 N ATOM 648 CA TYR A 39 -1.887 10.022 3.275 1.00 0.00 C ATOM 649 C TYR A 39 -1.395 8.615 2.974 1.00 0.00 C ATOM 650 O TYR A 39 -2.156 7.747 2.557 1.00 0.00 O ATOM 651 CB TYR A 39 -1.827 10.313 4.783 1.00 0.00 C ATOM 652 CG TYR A 39 -3.153 9.974 5.422 1.00 0.00 C ATOM 653 CD1 TYR A 39 -3.542 8.644 5.586 1.00 0.00 C ATOM 654 CD2 TYR A 39 -3.992 11.004 5.855 1.00 0.00 C ATOM 655 CE1 TYR A 39 -4.773 8.348 6.181 1.00 0.00 C ATOM 656 CE2 TYR A 39 -5.218 10.710 6.446 1.00 0.00 C ATOM 657 CZ TYR A 39 -5.611 9.384 6.611 1.00 0.00 C ATOM 658 OH TYR A 39 -6.826 9.097 7.197 1.00 0.00 O ATOM 0 H TYR A 39 -3.952 9.690 3.129 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.210 10.704 2.761 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.031 9.729 5.244 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.590 11.364 4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.895 7.846 5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.688 12.033 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.077 7.320 6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.864 11.510 6.776 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.279 9.932 7.436 1.00 0.00 H new ATOM 668 N ASN A 40 -0.143 8.364 3.304 1.00 0.00 N ATOM 669 CA ASN A 40 0.402 7.023 3.217 1.00 0.00 C ATOM 670 C ASN A 40 -0.208 6.179 4.329 1.00 0.00 C ATOM 671 O ASN A 40 -0.301 6.640 5.473 1.00 0.00 O ATOM 672 CB ASN A 40 1.926 7.050 3.389 1.00 0.00 C ATOM 673 CG ASN A 40 2.462 5.631 3.527 1.00 0.00 C ATOM 674 OD1 ASN A 40 2.507 4.888 2.545 1.00 0.00 O ATOM 675 ND2 ASN A 40 2.872 5.205 4.681 1.00 0.00 N ATOM 0 H ASN A 40 0.515 9.070 3.634 1.00 0.00 H new ATOM 0 HA ASN A 40 0.167 6.602 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.388 7.540 2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.190 7.634 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.232 4.255 4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.835 5.820 5.494 1.00 0.00 H new ATOM 682 N PRO A 41 -0.606 4.964 4.044 1.00 0.00 N ATOM 683 CA PRO A 41 -1.166 4.080 5.114 1.00 0.00 C ATOM 684 C PRO A 41 -0.132 3.870 6.211 1.00 0.00 C ATOM 685 O PRO A 41 1.063 3.781 5.929 1.00 0.00 O ATOM 686 CB PRO A 41 -1.452 2.761 4.382 1.00 0.00 C ATOM 687 CG PRO A 41 -1.630 3.156 2.955 1.00 0.00 C ATOM 688 CD PRO A 41 -0.651 4.305 2.724 1.00 0.00 C ATOM 0 HA PRO A 41 -2.052 4.495 5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.629 2.056 4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.346 2.275 4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.419 2.321 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.656 3.469 2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.331 3.945 2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.999 4.983 1.945 1.00 0.00 H new ATOM 696 N SER A 42 -0.580 3.801 7.452 1.00 0.00 N ATOM 697 CA SER A 42 0.345 3.628 8.554 1.00 0.00 C ATOM 698 C SER A 42 1.172 2.366 8.344 1.00 0.00 C ATOM 699 O SER A 42 0.690 1.379 7.781 1.00 0.00 O ATOM 700 CB SER A 42 -0.408 3.568 9.880 1.00 0.00 C ATOM 701 OG SER A 42 -1.338 4.658 9.953 1.00 0.00 O ATOM 0 H SER A 42 -1.563 3.861 7.718 1.00 0.00 H new ATOM 0 HA SER A 42 1.019 4.484 8.588 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.937 2.619 9.967 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.295 3.619 10.712 1.00 0.00 H new ATOM 0 HG SER A 42 -1.823 4.618 10.804 1.00 0.00 H new ATOM 707 N LEU A 43 2.429 2.429 8.720 1.00 0.00 N ATOM 708 CA LEU A 43 3.352 1.342 8.459 1.00 0.00 C ATOM 709 C LEU A 43 2.911 0.065 9.142 1.00 0.00 C ATOM 710 O LEU A 43 2.930 -0.996 8.533 1.00 0.00 O ATOM 711 CB LEU A 43 4.788 1.724 8.845 1.00 0.00 C ATOM 712 CG LEU A 43 5.455 2.520 7.694 1.00 0.00 C ATOM 713 CD1 LEU A 43 5.826 1.575 6.545 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.506 3.606 7.163 1.00 0.00 C ATOM 0 H LEU A 43 2.839 3.224 9.210 1.00 0.00 H new ATOM 0 HA LEU A 43 3.343 1.153 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.781 2.323 9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.367 0.825 9.059 1.00 0.00 H new ATOM 0 HG LEU A 43 6.355 2.993 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.294 2.145 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.522 0.818 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.926 1.089 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.994 4.153 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.595 3.141 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.255 4.296 7.969 1.00 0.00 H new ATOM 726 N GLN A 44 2.412 0.170 10.361 1.00 0.00 N ATOM 727 CA GLN A 44 1.866 -1.006 11.023 1.00 0.00 C ATOM 728 C GLN A 44 0.702 -1.553 10.210 1.00 0.00 C ATOM 729 O GLN A 44 0.603 -2.762 9.989 1.00 0.00 O ATOM 730 CB GLN A 44 1.408 -0.678 12.450 1.00 0.00 C ATOM 731 CG GLN A 44 2.628 -0.414 13.338 1.00 0.00 C ATOM 732 CD GLN A 44 3.471 -1.682 13.452 1.00 0.00 C ATOM 733 OE1 GLN A 44 2.923 -2.786 13.570 1.00 0.00 O ATOM 734 NE2 GLN A 44 4.762 -1.602 13.418 1.00 0.00 N ATOM 0 H GLN A 44 2.372 1.033 10.903 1.00 0.00 H new ATOM 0 HA GLN A 44 2.650 -1.760 11.090 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.757 0.196 12.441 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.825 -1.506 12.854 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.226 0.395 12.918 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.305 -0.091 14.328 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.214 -0.693 13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.327 -2.448 13.488 1.00 0.00 H new ATOM 743 N LEU A 45 -0.118 -0.647 9.690 1.00 0.00 N ATOM 744 CA LEU A 45 -1.206 -1.020 8.790 1.00 0.00 C ATOM 745 C LEU A 45 -0.614 -1.647 7.528 1.00 0.00 C ATOM 746 O LEU A 45 -1.033 -2.722 7.083 1.00 0.00 O ATOM 747 CB LEU A 45 -2.024 0.240 8.425 1.00 0.00 C ATOM 748 CG LEU A 45 -3.434 -0.125 7.920 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.347 -0.955 6.637 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.195 -0.907 8.998 1.00 0.00 C ATOM 0 H LEU A 45 -0.051 0.354 9.876 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.864 -1.740 9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.106 0.887 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.497 0.807 7.657 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.972 0.798 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.352 -1.203 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.833 -0.381 5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.794 -1.873 6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.190 -1.160 8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.652 -1.822 9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.284 -0.296 9.896 1.00 0.00 H new ATOM 762 N ALA A 46 0.424 -1.005 7.008 1.00 0.00 N ATOM 763 CA ALA A 46 1.129 -1.506 5.838 1.00 0.00 C ATOM 764 C ALA A 46 1.779 -2.839 6.145 1.00 0.00 C ATOM 765 O ALA A 46 1.838 -3.714 5.300 1.00 0.00 O ATOM 766 CB ALA A 46 2.199 -0.507 5.384 1.00 0.00 C ATOM 0 H ALA A 46 0.797 -0.132 7.381 1.00 0.00 H new ATOM 0 HA ALA A 46 0.403 -1.637 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.715 -0.900 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.727 0.442 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.917 -0.352 6.189 1.00 0.00 H new ATOM 772 N LEU A 47 2.290 -2.966 7.352 1.00 0.00 N ATOM 773 CA LEU A 47 3.020 -4.152 7.763 1.00 0.00 C ATOM 774 C LEU A 47 2.137 -5.381 7.686 1.00 0.00 C ATOM 775 O LEU A 47 2.574 -6.439 7.242 1.00 0.00 O ATOM 776 CB LEU A 47 3.558 -3.981 9.196 1.00 0.00 C ATOM 777 CG LEU A 47 4.319 -5.244 9.632 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.477 -5.518 8.670 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.871 -5.048 11.047 1.00 0.00 C ATOM 0 H LEU A 47 2.212 -2.252 8.077 1.00 0.00 H new ATOM 0 HA LEU A 47 3.861 -4.285 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.218 -3.115 9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.733 -3.790 9.882 1.00 0.00 H new ATOM 0 HG LEU A 47 3.634 -6.092 9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.010 -6.414 8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.086 -5.666 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.161 -4.669 8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.410 -5.944 11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.549 -4.195 11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.047 -4.866 11.737 1.00 0.00 H new ATOM 791 N LYS A 48 0.899 -5.245 8.123 1.00 0.00 N ATOM 792 CA LYS A 48 -0.016 -6.377 8.139 1.00 0.00 C ATOM 793 C LYS A 48 -0.192 -6.913 6.727 1.00 0.00 C ATOM 794 O LYS A 48 -0.111 -8.120 6.496 1.00 0.00 O ATOM 795 CB LYS A 48 -1.375 -5.921 8.676 1.00 0.00 C ATOM 796 CG LYS A 48 -1.234 -5.518 10.146 1.00 0.00 C ATOM 797 CD LYS A 48 -2.573 -4.989 10.666 1.00 0.00 C ATOM 798 CE LYS A 48 -2.392 -4.485 12.100 1.00 0.00 C ATOM 799 NZ LYS A 48 -2.125 -5.633 13.004 1.00 0.00 N ATOM 0 H LYS A 48 0.504 -4.371 8.469 1.00 0.00 H new ATOM 0 HA LYS A 48 0.391 -7.161 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.745 -5.079 8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.105 -6.724 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.915 -6.375 10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.464 -4.754 10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.932 -4.182 10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.325 -5.777 10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.566 -3.775 12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.287 -3.954 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.254 -5.334 13.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.786 -6.406 12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.148 -5.963 12.867 1.00 0.00 H new ATOM 813 N ILE A 49 -0.344 -6.009 5.777 1.00 0.00 N ATOM 814 CA ILE A 49 -0.443 -6.390 4.379 1.00 0.00 C ATOM 815 C ILE A 49 0.945 -6.576 3.758 1.00 0.00 C ATOM 816 O ILE A 49 1.100 -7.280 2.762 1.00 0.00 O ATOM 817 CB ILE A 49 -1.270 -5.356 3.593 1.00 0.00 C ATOM 818 CG1 ILE A 49 -0.609 -3.973 3.695 1.00 0.00 C ATOM 819 CG2 ILE A 49 -2.686 -5.281 4.181 1.00 0.00 C ATOM 820 CD1 ILE A 49 -1.329 -2.984 2.775 1.00 0.00 C ATOM 0 H ILE A 49 -0.402 -5.005 5.947 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.959 -7.349 4.324 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.319 -5.658 2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.645 -3.618 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.443 -4.041 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.272 -4.549 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.162 -6.259 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.630 -4.982 5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.856 -2.005 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.270 -3.336 1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.375 -2.906 3.072 1.00 0.00 H new ATOM 832 N ALA A 50 1.949 -5.934 4.349 1.00 0.00 N ATOM 833 CA ALA A 50 3.313 -5.991 3.816 1.00 0.00 C ATOM 834 C ALA A 50 3.784 -7.414 3.719 1.00 0.00 C ATOM 835 O ALA A 50 4.431 -7.791 2.749 1.00 0.00 O ATOM 836 CB ALA A 50 4.289 -5.191 4.683 1.00 0.00 C ATOM 0 H ALA A 50 1.848 -5.370 5.193 1.00 0.00 H new ATOM 0 HA ALA A 50 3.290 -5.547 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.291 -5.256 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.975 -4.148 4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.297 -5.599 5.694 1.00 0.00 H new ATOM 842 N TYR A 51 3.421 -8.226 4.693 1.00 0.00 N ATOM 843 CA TYR A 51 3.785 -9.623 4.627 1.00 0.00 C ATOM 844 C TYR A 51 3.184 -10.238 3.381 1.00 0.00 C ATOM 845 O TYR A 51 3.880 -10.910 2.616 1.00 0.00 O ATOM 846 CB TYR A 51 3.343 -10.380 5.888 1.00 0.00 C ATOM 847 CG TYR A 51 4.315 -10.088 7.004 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.498 -10.830 7.106 1.00 0.00 C ATOM 849 CD2 TYR A 51 4.048 -9.068 7.922 1.00 0.00 C ATOM 850 CE1 TYR A 51 6.408 -10.552 8.126 1.00 0.00 C ATOM 851 CE2 TYR A 51 4.959 -8.794 8.944 1.00 0.00 C ATOM 852 CZ TYR A 51 6.140 -9.535 9.044 1.00 0.00 C ATOM 853 OH TYR A 51 7.042 -9.252 10.041 1.00 0.00 O ATOM 0 H TYR A 51 2.888 -7.950 5.518 1.00 0.00 H new ATOM 0 HA TYR A 51 4.871 -9.701 4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.337 -10.076 6.176 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.308 -11.451 5.691 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.706 -11.617 6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.138 -8.492 7.841 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.321 -11.124 8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.751 -8.010 9.657 1.00 0.00 H new ATOM 0 HH TYR A 51 6.701 -8.516 10.591 1.00 0.00 H new ATOM 863 N TYR A 52 1.921 -9.927 3.119 1.00 0.00 N ATOM 864 CA TYR A 52 1.293 -10.343 1.875 1.00 0.00 C ATOM 865 C TYR A 52 1.991 -9.661 0.696 1.00 0.00 C ATOM 866 O TYR A 52 2.381 -10.309 -0.282 1.00 0.00 O ATOM 867 CB TYR A 52 -0.199 -9.994 1.859 1.00 0.00 C ATOM 868 CG TYR A 52 -0.797 -10.498 0.566 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.801 -9.687 -0.573 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.337 -11.786 0.508 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.340 -10.168 -1.766 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.879 -12.259 -0.685 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.880 -11.453 -1.821 1.00 0.00 C ATOM 874 OH TYR A 52 -2.408 -11.924 -2.998 1.00 0.00 O ATOM 0 H TYR A 52 1.318 -9.394 3.745 1.00 0.00 H new ATOM 0 HA TYR A 52 1.390 -11.425 1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.703 -10.449 2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.337 -8.916 1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.388 -8.690 -0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.334 -12.414 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.339 -9.545 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.299 -13.253 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.741 -12.836 -2.865 1.00 0.00 H new ATOM 884 N LEU A 53 2.185 -8.349 0.813 1.00 0.00 N ATOM 885 CA LEU A 53 2.856 -7.586 -0.233 1.00 0.00 C ATOM 886 C LEU A 53 4.353 -7.785 -0.146 1.00 0.00 C ATOM 887 O LEU A 53 5.069 -6.962 0.432 1.00 0.00 O ATOM 888 CB LEU A 53 2.536 -6.084 -0.128 1.00 0.00 C ATOM 889 CG LEU A 53 1.119 -5.802 -0.637 1.00 0.00 C ATOM 890 CD1 LEU A 53 0.123 -5.952 0.507 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.046 -4.373 -1.183 1.00 0.00 C ATOM 0 H LEU A 53 1.888 -7.796 1.617 1.00 0.00 H new ATOM 0 HA LEU A 53 2.490 -7.951 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.629 -5.758 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.259 -5.510 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 53 0.875 -6.511 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.884 -5.751 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.170 -6.968 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.370 -5.245 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.038 -4.173 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.293 -3.667 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.755 -4.260 -2.003 1.00 0.00 H new ATOM 903 N ASN A 54 4.832 -8.868 -0.724 1.00 0.00 N ATOM 904 CA ASN A 54 6.251 -9.152 -0.673 1.00 0.00 C ATOM 905 C ASN A 54 7.012 -8.122 -1.484 1.00 0.00 C ATOM 906 O ASN A 54 7.300 -8.325 -2.662 1.00 0.00 O ATOM 907 CB ASN A 54 6.554 -10.551 -1.199 1.00 0.00 C ATOM 908 CG ASN A 54 7.884 -11.028 -0.620 1.00 0.00 C ATOM 909 OD1 ASN A 54 8.158 -10.826 0.574 1.00 0.00 O ATOM 910 ND2 ASN A 54 8.734 -11.628 -1.383 1.00 0.00 N ATOM 0 H ASN A 54 4.270 -9.555 -1.226 1.00 0.00 H new ATOM 0 HA ASN A 54 6.569 -9.104 0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.755 -11.238 -0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.600 -10.541 -2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.630 -11.936 -1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.510 -11.794 -2.364 1.00 0.00 H new ATOM 917 N THR A 55 7.237 -6.983 -0.882 1.00 0.00 N ATOM 918 CA THR A 55 7.882 -5.874 -1.541 1.00 0.00 C ATOM 919 C THR A 55 8.454 -4.937 -0.484 1.00 0.00 C ATOM 920 O THR A 55 7.761 -4.588 0.477 1.00 0.00 O ATOM 921 CB THR A 55 6.856 -5.154 -2.420 1.00 0.00 C ATOM 922 OG1 THR A 55 6.270 -6.107 -3.315 1.00 0.00 O ATOM 923 CG2 THR A 55 7.530 -4.037 -3.223 1.00 0.00 C ATOM 0 H THR A 55 6.976 -6.796 0.086 1.00 0.00 H new ATOM 0 HA THR A 55 8.698 -6.222 -2.175 1.00 0.00 H new ATOM 0 HB THR A 55 6.087 -4.708 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.863 -6.883 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.787 -3.535 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.978 -3.317 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.305 -4.463 -3.860 1.00 0.00 H new ATOM 931 N PRO A 56 9.732 -4.645 -0.555 1.00 0.00 N ATOM 932 CA PRO A 56 10.404 -3.850 0.520 1.00 0.00 C ATOM 933 C PRO A 56 9.779 -2.475 0.707 1.00 0.00 C ATOM 934 O PRO A 56 9.481 -1.773 -0.265 1.00 0.00 O ATOM 935 CB PRO A 56 11.844 -3.708 0.021 1.00 0.00 C ATOM 936 CG PRO A 56 12.037 -4.855 -0.905 1.00 0.00 C ATOM 937 CD PRO A 56 10.699 -5.044 -1.603 1.00 0.00 C ATOM 0 HA PRO A 56 10.319 -4.340 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.994 -2.757 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.555 -3.742 0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.829 -4.649 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.326 -5.754 -0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.614 -4.420 -2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.550 -6.076 -1.922 1.00 0.00 H new ATOM 945 N LEU A 57 9.683 -2.065 1.961 1.00 0.00 N ATOM 946 CA LEU A 57 9.199 -0.742 2.322 1.00 0.00 C ATOM 947 C LEU A 57 10.383 0.173 2.652 1.00 0.00 C ATOM 948 O LEU A 57 10.209 1.278 3.166 1.00 0.00 O ATOM 949 CB LEU A 57 8.273 -0.842 3.542 1.00 0.00 C ATOM 950 CG LEU A 57 7.006 -1.640 3.190 1.00 0.00 C ATOM 951 CD1 LEU A 57 6.200 -1.906 4.461 1.00 0.00 C ATOM 952 CD2 LEU A 57 6.139 -0.839 2.214 1.00 0.00 C ATOM 0 H LEU A 57 9.940 -2.643 2.761 1.00 0.00 H new ATOM 0 HA LEU A 57 8.645 -0.325 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.798 -1.326 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.999 0.157 3.881 1.00 0.00 H new ATOM 0 HG LEU A 57 7.299 -2.584 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.302 -2.471 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.806 -2.479 5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.916 -0.958 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.244 -1.410 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.852 0.106 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.704 -0.642 1.303 1.00 0.00 H new ATOM 964 N GLU A 58 11.584 -0.355 2.488 1.00 0.00 N ATOM 965 CA GLU A 58 12.795 0.334 2.909 1.00 0.00 C ATOM 966 C GLU A 58 12.848 1.763 2.386 1.00 0.00 C ATOM 967 O GLU A 58 13.087 2.706 3.148 1.00 0.00 O ATOM 968 CB GLU A 58 14.030 -0.445 2.437 1.00 0.00 C ATOM 969 CG GLU A 58 13.891 -0.784 0.944 1.00 0.00 C ATOM 970 CD GLU A 58 15.030 -1.668 0.509 1.00 0.00 C ATOM 971 OE1 GLU A 58 16.091 -1.150 0.266 1.00 0.00 O ATOM 972 OE2 GLU A 58 14.829 -2.853 0.423 1.00 0.00 O ATOM 0 H GLU A 58 11.748 -1.267 2.062 1.00 0.00 H new ATOM 0 HA GLU A 58 12.786 0.383 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.930 0.147 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.139 -1.360 3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.941 -1.286 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.885 0.132 0.354 1.00 0.00 H new ATOM 979 N ASP A 59 12.630 1.927 1.094 1.00 0.00 N ATOM 980 CA ASP A 59 12.690 3.247 0.498 1.00 0.00 C ATOM 981 C ASP A 59 11.581 4.137 1.021 1.00 0.00 C ATOM 982 O ASP A 59 11.816 5.300 1.331 1.00 0.00 O ATOM 983 CB ASP A 59 12.668 3.185 -1.032 1.00 0.00 C ATOM 984 CG ASP A 59 11.458 2.428 -1.518 1.00 0.00 C ATOM 985 OD1 ASP A 59 11.227 1.333 -1.046 1.00 0.00 O ATOM 986 OD2 ASP A 59 10.782 2.936 -2.370 1.00 0.00 O ATOM 0 H ASP A 59 12.412 1.171 0.444 1.00 0.00 H new ATOM 0 HA ASP A 59 13.643 3.687 0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.660 4.195 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.575 2.701 -1.394 1.00 0.00 H new ATOM 991 N ILE A 60 10.397 3.570 1.224 1.00 0.00 N ATOM 992 CA ILE A 60 9.324 4.335 1.848 1.00 0.00 C ATOM 993 C ILE A 60 9.646 4.604 3.317 1.00 0.00 C ATOM 994 O ILE A 60 9.459 5.722 3.804 1.00 0.00 O ATOM 995 CB ILE A 60 7.925 3.702 1.646 1.00 0.00 C ATOM 996 CG1 ILE A 60 6.858 4.541 2.361 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.885 2.275 2.171 1.00 0.00 C ATOM 998 CD1 ILE A 60 5.464 4.048 1.965 1.00 0.00 C ATOM 0 H ILE A 60 10.159 2.610 0.974 1.00 0.00 H new ATOM 0 HA ILE A 60 9.269 5.296 1.336 1.00 0.00 H new ATOM 0 HB ILE A 60 7.719 3.682 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.987 4.468 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.971 5.593 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.890 1.858 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.620 1.671 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.117 2.273 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.708 4.646 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.337 4.144 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.353 3.002 2.251 1.00 0.00 H new ATOM 1010 N PHE A 61 10.232 3.616 3.993 1.00 0.00 N ATOM 1011 CA PHE A 61 10.699 3.835 5.358 1.00 0.00 C ATOM 1012 C PHE A 61 11.758 4.922 5.362 1.00 0.00 C ATOM 1013 O PHE A 61 11.750 5.810 6.219 1.00 0.00 O ATOM 1014 CB PHE A 61 11.310 2.561 5.971 1.00 0.00 C ATOM 1015 CG PHE A 61 10.249 1.674 6.593 1.00 0.00 C ATOM 1016 CD1 PHE A 61 9.511 2.135 7.692 1.00 0.00 C ATOM 1017 CD2 PHE A 61 10.016 0.390 6.089 1.00 0.00 C ATOM 1018 CE1 PHE A 61 8.544 1.314 8.279 1.00 0.00 C ATOM 1019 CE2 PHE A 61 9.049 -0.430 6.682 1.00 0.00 C ATOM 1020 CZ PHE A 61 8.315 0.033 7.775 1.00 0.00 C ATOM 0 H PHE A 61 10.391 2.677 3.627 1.00 0.00 H new ATOM 0 HA PHE A 61 9.835 4.126 5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.843 2.005 5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.043 2.837 6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.690 3.125 8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.582 0.031 5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.973 1.671 9.123 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.871 -1.422 6.293 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.569 -0.601 8.231 1.00 0.00 H new ATOM 1030 N GLN A 62 12.689 4.831 4.422 1.00 0.00 N ATOM 1031 CA GLN A 62 13.778 5.788 4.337 1.00 0.00 C ATOM 1032 C GLN A 62 13.629 6.675 3.102 1.00 0.00 C ATOM 1033 O GLN A 62 12.866 7.647 3.115 1.00 0.00 O ATOM 1034 CB GLN A 62 15.131 5.053 4.313 1.00 0.00 C ATOM 1035 CG GLN A 62 15.232 4.087 5.503 1.00 0.00 C ATOM 1036 CD GLN A 62 14.995 4.822 6.812 1.00 0.00 C ATOM 1037 OE1 GLN A 62 15.539 5.909 7.025 1.00 0.00 O ATOM 1038 NE2 GLN A 62 14.214 4.302 7.706 1.00 0.00 N ATOM 0 H GLN A 62 12.710 4.103 3.708 1.00 0.00 H new ATOM 0 HA GLN A 62 13.742 6.428 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.237 4.502 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.946 5.776 4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.500 3.287 5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.216 3.619 5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.764 3.404 7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.049 4.791 8.586 1.00 0.00 H new ATOM 1047 N TRP A 63 14.346 6.328 2.041 1.00 0.00 N ATOM 1048 CA TRP A 63 14.308 7.065 0.785 1.00 0.00 C ATOM 1049 C TRP A 63 14.626 6.121 -0.366 1.00 0.00 C ATOM 1050 O TRP A 63 15.137 5.021 -0.145 1.00 0.00 O ATOM 1051 CB TRP A 63 15.321 8.235 0.812 1.00 0.00 C ATOM 1052 CG TRP A 63 15.486 8.806 -0.566 1.00 0.00 C ATOM 1053 CD1 TRP A 63 16.532 8.557 -1.387 1.00 0.00 C ATOM 1054 CD2 TRP A 63 14.603 9.704 -1.292 1.00 0.00 C ATOM 1055 NE1 TRP A 63 16.338 9.235 -2.574 1.00 0.00 N ATOM 1056 CE2 TRP A 63 15.168 9.961 -2.564 1.00 0.00 C ATOM 1057 CE3 TRP A 63 13.378 10.315 -0.977 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 14.541 10.788 -3.490 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 12.743 11.154 -1.907 1.00 0.00 C ATOM 1060 CH2 TRP A 63 13.324 11.389 -3.163 1.00 0.00 C ATOM 0 H TRP A 63 14.973 5.524 2.028 1.00 0.00 H new ATOM 0 HA TRP A 63 13.310 7.480 0.646 1.00 0.00 H new ATOM 0 HB2 TRP A 63 14.975 9.010 1.496 1.00 0.00 H new ATOM 0 HB3 TRP A 63 16.283 7.885 1.187 1.00 0.00 H new ATOM 0 HD1 TRP A 63 17.380 7.931 -1.152 1.00 0.00 H new ATOM 0 HE1 TRP A 63 16.983 9.202 -3.363 1.00 0.00 H new ATOM 0 HE3 TRP A 63 12.922 10.139 -0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 14.992 10.964 -4.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 11.802 11.621 -1.654 1.00 0.00 H new ATOM 0 HH2 TRP A 63 12.830 12.034 -3.875 1.00 0.00 H new ATOM 1071 N GLN A 64 14.376 6.570 -1.588 1.00 0.00 N ATOM 1072 CA GLN A 64 14.702 5.796 -2.782 1.00 0.00 C ATOM 1073 C GLN A 64 16.147 5.295 -2.719 1.00 0.00 C ATOM 1074 O GLN A 64 16.957 5.800 -1.936 1.00 0.00 O ATOM 1075 CB GLN A 64 14.525 6.666 -4.029 1.00 0.00 C ATOM 1076 CG GLN A 64 13.119 7.276 -4.056 1.00 0.00 C ATOM 1077 CD GLN A 64 12.651 7.386 -5.501 1.00 0.00 C ATOM 1078 OE1 GLN A 64 12.396 6.365 -6.149 1.00 0.00 O ATOM 1079 NE2 GLN A 64 12.538 8.548 -6.052 1.00 0.00 N ATOM 0 H GLN A 64 13.945 7.474 -1.781 1.00 0.00 H new ATOM 0 HA GLN A 64 14.030 4.939 -2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.273 7.459 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.686 6.067 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.429 6.656 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 64 13.127 8.260 -3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.749 9.389 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.238 8.625 -7.024 1.00 0.00 H new ATOM 1088 N PRO A 65 16.508 4.370 -3.573 1.00 0.00 N ATOM 1089 CA PRO A 65 17.916 3.863 -3.623 1.00 0.00 C ATOM 1090 C PRO A 65 18.906 5.011 -3.802 1.00 0.00 C ATOM 1091 O PRO A 65 19.969 5.035 -3.165 1.00 0.00 O ATOM 1092 CB PRO A 65 17.916 2.946 -4.845 1.00 0.00 C ATOM 1093 CG PRO A 65 16.514 2.441 -4.930 1.00 0.00 C ATOM 1094 CD PRO A 65 15.621 3.591 -4.468 1.00 0.00 C ATOM 0 HA PRO A 65 18.218 3.355 -2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 65 18.199 3.487 -5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 65 18.627 2.128 -4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 65 16.269 2.142 -5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 65 16.377 1.563 -4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 65 15.270 4.190 -5.308 1.00 0.00 H new ATOM 0 HD3 PRO A 65 14.737 3.229 -3.943 1.00 0.00 H new ATOM 1102 N GLU A 66 18.520 5.983 -4.617 1.00 0.00 N ATOM 1103 CA GLU A 66 19.320 7.171 -4.848 1.00 0.00 C ATOM 1104 C GLU A 66 18.439 8.317 -5.351 1.00 0.00 C ATOM 1105 O GLU A 66 17.901 9.029 -4.533 1.00 0.00 O ATOM 1106 CB GLU A 66 20.470 6.881 -5.838 1.00 0.00 C ATOM 1107 CG GLU A 66 20.005 5.909 -6.943 1.00 0.00 C ATOM 1108 CD GLU A 66 20.810 4.621 -6.906 1.00 0.00 C ATOM 1109 OE1 GLU A 66 22.018 4.689 -6.767 1.00 0.00 O ATOM 1110 OE2 GLU A 66 20.215 3.580 -7.025 1.00 0.00 O ATOM 1111 OXT GLU A 66 18.304 8.459 -6.541 1.00 0.00 O ATOM 0 H GLU A 66 17.642 5.967 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 66 19.767 7.472 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 66 20.814 7.813 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.318 6.453 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.946 5.685 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.114 6.383 -7.919 1.00 0.00 H new TER 1118 GLU A 66