USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 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 62 GLN :FLIP amide:sc= -1.11 F(o=-1.8!,f=-1.1) USER MOD Set 1.2: A 64 GLN :FLIP amide:sc= 0.0462 F(o=-3,f=-1.1) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -135:sc= 0.569 (180deg=-0.67) USER MOD Set 2.2: A 39 TYR OH : rot 151:sc= 0.525 USER MOD Set 3.1: A 27 SER OG : rot 44:sc= 0.752 USER MOD Set 3.2: A 30 THR OG1 : rot 72:sc= 2.21 USER MOD Set 4.1: A 13 LYS NZ :NH3+ -168:sc= -1.47! (180deg=-2.4!) USER MOD Set 4.2: A 55 THR OG1 : rot 2:sc= 0.375 USER MOD Set 5.1: A 4 ASN : amide:sc= 1.14 K(o=0.81,f=-4.1!) USER MOD Set 5.2: A 40 ASN : amide:sc= -0.334 K(o=0.81,f=-6.4!) USER MOD Single : A 1 MET CE :methyl -129:sc= -0.121 (180deg=-1.27) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.53 (180deg=-1.11) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.373 F(o=-2.8!,f=-0.37) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= -0.0931 (180deg=-0.533) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 0.729! (180deg=-2.59!) USER MOD Single : A 16 SER OG : rot 89:sc= 1.2 USER MOD Single : A 17 GLN : amide:sc= -12.7! C(o=-13!,f=-20!) USER MOD Single : A 18 SER OG : rot 150:sc= -2.29! USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= -1.85! X(o=-1.8!,f=-1.6) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.35) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 0.728 (180deg=-0.7!) 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= -2.53 X(o=-2.5,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.760 5.703 -8.918 1.00 0.00 N ATOM 2 CA MET A 1 3.144 5.176 -9.076 1.00 0.00 C ATOM 3 C MET A 1 3.386 4.057 -8.063 1.00 0.00 C ATOM 4 O MET A 1 4.529 3.671 -7.812 1.00 0.00 O ATOM 5 CB MET A 1 4.158 6.307 -8.860 1.00 0.00 C ATOM 6 CG MET A 1 3.663 7.258 -7.764 1.00 0.00 C ATOM 7 SD MET A 1 4.880 8.569 -7.515 1.00 0.00 S ATOM 8 CE MET A 1 6.138 7.565 -6.686 1.00 0.00 C ATOM 0 H1 MET A 1 1.676 6.613 -9.415 1.00 0.00 H new ATOM 0 H2 MET A 1 1.082 5.025 -9.321 1.00 0.00 H new ATOM 0 H3 MET A 1 1.554 5.840 -7.908 1.00 0.00 H new ATOM 0 HA MET A 1 3.266 4.778 -10.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.125 5.890 -8.580 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.305 6.857 -9.790 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.702 7.687 -8.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.507 6.710 -6.835 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.443 8.054 -5.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.727 6.582 -6.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.003 7.454 -7.339 1.00 0.00 H new ATOM 18 N ILE A 2 2.322 3.557 -7.472 1.00 0.00 N ATOM 19 CA ILE A 2 2.422 2.502 -6.484 1.00 0.00 C ATOM 20 C ILE A 2 1.779 1.234 -6.995 1.00 0.00 C ATOM 21 O ILE A 2 0.635 1.253 -7.464 1.00 0.00 O ATOM 22 CB ILE A 2 1.779 2.960 -5.169 1.00 0.00 C ATOM 23 CG1 ILE A 2 2.610 4.111 -4.582 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.729 1.799 -4.166 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.891 5.433 -4.819 1.00 0.00 C ATOM 0 H ILE A 2 1.369 3.867 -7.660 1.00 0.00 H new ATOM 0 HA ILE A 2 3.474 2.286 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 2 0.761 3.296 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.763 3.955 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.596 4.134 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.270 2.140 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.140 0.982 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.741 1.449 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.482 6.248 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.761 5.590 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.915 5.408 -4.335 1.00 0.00 H new ATOM 37 N ILE A 3 2.501 0.133 -6.885 1.00 0.00 N ATOM 38 CA ILE A 3 1.984 -1.138 -7.324 1.00 0.00 C ATOM 39 C ILE A 3 1.437 -1.874 -6.117 1.00 0.00 C ATOM 40 O ILE A 3 2.196 -2.374 -5.288 1.00 0.00 O ATOM 41 CB ILE A 3 3.115 -1.971 -7.960 1.00 0.00 C ATOM 42 CG1 ILE A 3 3.977 -1.089 -8.883 1.00 0.00 C ATOM 43 CG2 ILE A 3 2.514 -3.118 -8.778 1.00 0.00 C ATOM 44 CD1 ILE A 3 3.150 -0.604 -10.077 1.00 0.00 C ATOM 0 H ILE A 3 3.443 0.100 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 3 1.198 -0.984 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 3 3.741 -2.373 -7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.361 -0.234 -8.326 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.840 -1.654 -9.235 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.316 -3.705 -9.226 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.918 -3.757 -8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.880 -2.710 -9.565 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.771 0.018 -10.721 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.788 -1.463 -10.642 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.301 -0.021 -9.719 1.00 0.00 H new ATOM 56 N ASN A 4 0.129 -2.004 -6.063 1.00 0.00 N ATOM 57 CA ASN A 4 -0.529 -2.719 -4.979 1.00 0.00 C ATOM 58 C ASN A 4 -0.784 -4.145 -5.379 1.00 0.00 C ATOM 59 O ASN A 4 -1.829 -4.729 -5.069 1.00 0.00 O ATOM 60 CB ASN A 4 -1.826 -2.015 -4.551 1.00 0.00 C ATOM 61 CG ASN A 4 -2.475 -1.325 -5.736 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.418 -1.829 -6.864 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.064 -0.189 -5.560 1.00 0.00 N ATOM 0 H ASN A 4 -0.509 -1.622 -6.761 1.00 0.00 H new ATOM 0 HA ASN A 4 0.134 -2.720 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.517 -2.742 -4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.609 -1.284 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.484 0.296 -6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.109 0.223 -4.628 1.00 0.00 H new ATOM 70 N ASN A 5 0.186 -4.709 -6.074 1.00 0.00 N ATOM 71 CA ASN A 5 0.118 -6.086 -6.537 1.00 0.00 C ATOM 72 C ASN A 5 0.116 -7.055 -5.358 1.00 0.00 C ATOM 73 O ASN A 5 0.754 -8.105 -5.395 1.00 0.00 O ATOM 74 CB ASN A 5 1.292 -6.394 -7.471 1.00 0.00 C ATOM 75 CG ASN A 5 2.635 -6.305 -6.734 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.809 -5.437 -5.774 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 3.556 -7.064 -7.047 1.00 0.00 N flip ATOM 0 H ASN A 5 1.046 -4.226 -6.335 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.813 -6.213 -7.089 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.172 -7.393 -7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.287 -5.694 -8.306 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.425 -7.744 -7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.449 -7.012 -6.557 1.00 0.00 H new ATOM 84 N LEU A 6 -0.667 -6.729 -4.357 1.00 0.00 N ATOM 85 CA LEU A 6 -0.805 -7.553 -3.173 1.00 0.00 C ATOM 86 C LEU A 6 -1.373 -8.905 -3.572 1.00 0.00 C ATOM 87 O LEU A 6 -0.957 -9.941 -3.075 1.00 0.00 O ATOM 88 CB LEU A 6 -1.731 -6.839 -2.163 1.00 0.00 C ATOM 89 CG LEU A 6 -1.819 -7.591 -0.808 1.00 0.00 C ATOM 90 CD1 LEU A 6 -2.977 -8.586 -0.818 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.507 -8.320 -0.478 1.00 0.00 C ATOM 0 H LEU A 6 -1.231 -5.879 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 6 0.166 -7.709 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.365 -5.827 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.729 -6.748 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.996 -6.844 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.021 -9.103 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.913 -8.053 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.825 -9.313 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.607 -8.835 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.288 -9.047 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.306 -7.596 -0.417 1.00 0.00 H new ATOM 103 N LYS A 7 -2.316 -8.874 -4.487 1.00 0.00 N ATOM 104 CA LYS A 7 -2.987 -10.071 -4.965 1.00 0.00 C ATOM 105 C LYS A 7 -2.004 -11.175 -5.367 1.00 0.00 C ATOM 106 O LYS A 7 -2.148 -12.320 -4.937 1.00 0.00 O ATOM 107 CB LYS A 7 -3.901 -9.694 -6.138 1.00 0.00 C ATOM 108 CG LYS A 7 -3.109 -8.897 -7.194 1.00 0.00 C ATOM 109 CD LYS A 7 -4.093 -8.232 -8.164 1.00 0.00 C ATOM 110 CE LYS A 7 -3.365 -7.193 -9.033 1.00 0.00 C ATOM 111 NZ LYS A 7 -2.808 -7.837 -10.242 1.00 0.00 N ATOM 0 H LYS A 7 -2.644 -8.014 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.581 -10.479 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.317 -10.595 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.741 -9.100 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.491 -8.142 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.435 -9.559 -7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.555 -8.988 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.896 -7.751 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.056 -6.400 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.564 -6.726 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.319 -7.125 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.134 -8.578 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.579 -8.262 -10.795 1.00 0.00 H new ATOM 125 N LEU A 8 -0.989 -10.825 -6.146 1.00 0.00 N ATOM 126 CA LEU A 8 0.007 -11.813 -6.575 1.00 0.00 C ATOM 127 C LEU A 8 0.719 -12.377 -5.371 1.00 0.00 C ATOM 128 O LEU A 8 0.801 -13.574 -5.190 1.00 0.00 O ATOM 129 CB LEU A 8 1.045 -11.129 -7.475 1.00 0.00 C ATOM 130 CG LEU A 8 0.537 -10.962 -8.932 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.770 -11.730 -9.181 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.315 -9.480 -9.225 1.00 0.00 C ATOM 0 H LEU A 8 -0.830 -9.879 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.497 -12.613 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.292 -10.150 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.964 -11.715 -7.477 1.00 0.00 H new ATOM 0 HG LEU A 8 1.297 -11.374 -9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.087 -11.584 -10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.608 -12.792 -8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.543 -11.360 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.042 -9.361 -10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.426 -9.079 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.254 -8.940 -9.103 1.00 0.00 H new ATOM 144 N ILE A 9 1.129 -11.490 -4.520 1.00 0.00 N ATOM 145 CA ILE A 9 1.790 -11.812 -3.274 1.00 0.00 C ATOM 146 C ILE A 9 0.843 -12.581 -2.355 1.00 0.00 C ATOM 147 O ILE A 9 1.216 -13.582 -1.746 1.00 0.00 O ATOM 148 CB ILE A 9 2.242 -10.491 -2.668 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.341 -9.917 -3.561 1.00 0.00 C ATOM 150 CG2 ILE A 9 2.794 -10.712 -1.274 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.501 -8.444 -3.290 1.00 0.00 C ATOM 0 H ILE A 9 1.014 -10.487 -4.669 1.00 0.00 H new ATOM 0 HA ILE A 9 2.652 -12.461 -3.427 1.00 0.00 H new ATOM 0 HB ILE A 9 1.397 -9.806 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.282 -10.435 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.091 -10.078 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.113 -9.758 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.020 -11.147 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.646 -11.390 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.286 -8.040 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.562 -7.931 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.771 -8.294 -2.245 1.00 0.00 H new ATOM 163 N ARG A 10 -0.388 -12.131 -2.294 1.00 0.00 N ATOM 164 CA ARG A 10 -1.409 -12.812 -1.522 1.00 0.00 C ATOM 165 C ARG A 10 -1.587 -14.235 -2.025 1.00 0.00 C ATOM 166 O ARG A 10 -1.647 -15.182 -1.231 1.00 0.00 O ATOM 167 CB ARG A 10 -2.723 -12.058 -1.701 1.00 0.00 C ATOM 168 CG ARG A 10 -3.897 -12.846 -1.135 1.00 0.00 C ATOM 169 CD ARG A 10 -5.173 -12.343 -1.808 1.00 0.00 C ATOM 170 NE ARG A 10 -5.351 -10.925 -1.506 1.00 0.00 N ATOM 171 CZ ARG A 10 -5.727 -10.008 -2.399 1.00 0.00 C ATOM 172 NH1 ARG A 10 -5.987 -10.337 -3.632 1.00 0.00 N ATOM 173 NH2 ARG A 10 -5.843 -8.778 -2.020 1.00 0.00 N ATOM 0 H ARG A 10 -0.712 -11.290 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.116 -12.842 -0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.659 -11.090 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.891 -11.862 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.764 -13.912 -1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.959 -12.714 -0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.112 -12.492 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.033 -12.913 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.176 -10.616 -0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.904 -11.309 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.273 -9.622 -4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.648 -8.522 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.129 -8.063 -2.689 1.00 0.00 H new ATOM 187 N GLU A 11 -1.699 -14.388 -3.340 1.00 0.00 N ATOM 188 CA GLU A 11 -1.922 -15.699 -3.909 1.00 0.00 C ATOM 189 C GLU A 11 -0.621 -16.448 -4.116 1.00 0.00 C ATOM 190 O GLU A 11 -0.609 -17.671 -4.218 1.00 0.00 O ATOM 191 CB GLU A 11 -2.778 -15.642 -5.181 1.00 0.00 C ATOM 192 CG GLU A 11 -1.942 -15.273 -6.404 1.00 0.00 C ATOM 193 CD GLU A 11 -2.564 -15.916 -7.621 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.625 -17.132 -7.651 1.00 0.00 O ATOM 195 OE2 GLU A 11 -2.994 -15.197 -8.488 1.00 0.00 O ATOM 0 H GLU A 11 -1.639 -13.628 -4.018 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.500 -16.270 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.255 -16.609 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.576 -14.911 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.905 -14.190 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.915 -15.615 -6.278 1.00 0.00 H new ATOM 202 N LYS A 12 0.468 -15.720 -4.054 1.00 0.00 N ATOM 203 CA LYS A 12 1.805 -16.285 -4.126 1.00 0.00 C ATOM 204 C LYS A 12 1.935 -17.314 -3.035 1.00 0.00 C ATOM 205 O LYS A 12 2.289 -18.467 -3.276 1.00 0.00 O ATOM 206 CB LYS A 12 2.755 -15.136 -3.824 1.00 0.00 C ATOM 207 CG LYS A 12 4.217 -15.516 -3.844 1.00 0.00 C ATOM 208 CD LYS A 12 4.956 -14.248 -3.446 1.00 0.00 C ATOM 209 CE LYS A 12 6.457 -14.476 -3.376 1.00 0.00 C ATOM 210 NZ LYS A 12 6.928 -15.279 -4.535 1.00 0.00 N ATOM 0 H LYS A 12 0.456 -14.705 -3.951 1.00 0.00 H new ATOM 0 HA LYS A 12 2.013 -16.743 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.588 -14.341 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.511 -14.727 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.424 -16.329 -3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.523 -15.858 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.740 -13.459 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.594 -13.903 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.974 -13.516 -3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.708 -14.989 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.961 -15.196 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.671 -16.277 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.481 -14.927 -5.406 1.00 0.00 H new ATOM 224 N LYS A 13 1.537 -16.910 -1.852 1.00 0.00 N ATOM 225 CA LYS A 13 1.495 -17.804 -0.707 1.00 0.00 C ATOM 226 C LYS A 13 0.060 -18.285 -0.448 1.00 0.00 C ATOM 227 O LYS A 13 -0.199 -18.991 0.535 1.00 0.00 O ATOM 228 CB LYS A 13 2.073 -17.126 0.547 1.00 0.00 C ATOM 229 CG LYS A 13 1.943 -15.591 0.437 1.00 0.00 C ATOM 230 CD LYS A 13 2.425 -14.931 1.740 1.00 0.00 C ATOM 231 CE LYS A 13 3.885 -14.477 1.596 1.00 0.00 C ATOM 232 NZ LYS A 13 4.427 -14.139 2.939 1.00 0.00 N ATOM 0 H LYS A 13 1.233 -15.957 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 13 2.114 -18.671 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.547 -17.479 1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.121 -17.401 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.532 -15.227 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.906 -15.318 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.793 -14.076 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.335 -15.635 2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.481 -15.267 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.946 -13.610 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.335 -13.643 2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.754 -13.525 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.572 -15.012 3.485 1.00 0.00 H new ATOM 246 N LYS A 14 -0.864 -17.892 -1.335 1.00 0.00 N ATOM 247 CA LYS A 14 -2.287 -18.269 -1.233 1.00 0.00 C ATOM 248 C LYS A 14 -2.895 -17.864 0.111 1.00 0.00 C ATOM 249 O LYS A 14 -3.610 -18.643 0.748 1.00 0.00 O ATOM 250 CB LYS A 14 -2.476 -19.772 -1.495 1.00 0.00 C ATOM 251 CG LYS A 14 -2.035 -20.112 -2.929 1.00 0.00 C ATOM 252 CD LYS A 14 -2.955 -19.409 -3.951 1.00 0.00 C ATOM 253 CE LYS A 14 -2.545 -19.808 -5.381 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.737 -18.728 -6.010 1.00 0.00 N ATOM 0 H LYS A 14 -0.651 -17.306 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.823 -17.717 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.893 -20.351 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.521 -20.047 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.002 -19.800 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.068 -21.191 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.994 -19.686 -3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.888 -18.328 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.970 -20.734 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.435 -20.001 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.105 -19.140 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.371 -18.039 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.170 -18.250 -5.281 1.00 0.00 H new ATOM 268 N ILE A 15 -2.673 -16.627 0.489 1.00 0.00 N ATOM 269 CA ILE A 15 -3.257 -16.066 1.701 1.00 0.00 C ATOM 270 C ILE A 15 -4.687 -15.630 1.444 1.00 0.00 C ATOM 271 O ILE A 15 -4.951 -14.848 0.533 1.00 0.00 O ATOM 272 CB ILE A 15 -2.392 -14.877 2.189 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.263 -15.364 3.109 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.232 -13.816 2.908 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.612 -16.624 2.546 1.00 0.00 C ATOM 0 H ILE A 15 -2.084 -15.975 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.276 -16.828 2.481 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.955 -14.416 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.514 -14.580 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.660 -15.567 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.587 -13.000 3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.990 -13.429 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.718 -14.263 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.185 -16.951 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.360 -17.412 2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.195 -16.410 1.562 1.00 0.00 H new ATOM 287 N SER A 16 -5.602 -16.088 2.283 1.00 0.00 N ATOM 288 CA SER A 16 -6.982 -15.682 2.149 1.00 0.00 C ATOM 289 C SER A 16 -7.103 -14.236 2.603 1.00 0.00 C ATOM 290 O SER A 16 -6.462 -13.827 3.577 1.00 0.00 O ATOM 291 CB SER A 16 -7.865 -16.562 3.025 1.00 0.00 C ATOM 292 OG SER A 16 -7.323 -17.883 3.069 1.00 0.00 O ATOM 0 H SER A 16 -5.414 -16.732 3.052 1.00 0.00 H new ATOM 0 HA SER A 16 -7.300 -15.781 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.925 -16.148 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.880 -16.586 2.629 1.00 0.00 H new ATOM 0 HG SER A 16 -6.679 -17.948 3.805 1.00 0.00 H new ATOM 298 N GLN A 17 -7.904 -13.462 1.919 1.00 0.00 N ATOM 299 CA GLN A 17 -8.082 -12.076 2.298 1.00 0.00 C ATOM 300 C GLN A 17 -8.961 -11.943 3.525 1.00 0.00 C ATOM 301 O GLN A 17 -8.758 -11.048 4.338 1.00 0.00 O ATOM 302 CB GLN A 17 -8.584 -11.228 1.132 1.00 0.00 C ATOM 303 CG GLN A 17 -7.921 -9.842 1.180 1.00 0.00 C ATOM 304 CD GLN A 17 -6.414 -9.946 0.895 1.00 0.00 C ATOM 305 OE1 GLN A 17 -5.800 -8.976 0.465 1.00 0.00 O ATOM 306 NE2 GLN A 17 -5.778 -11.078 1.067 1.00 0.00 N ATOM 0 H GLN A 17 -8.441 -13.759 1.104 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.101 -11.684 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.355 -11.719 0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.668 -11.126 1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.389 -9.185 0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.080 -9.392 2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.276 -11.894 1.424 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.785 -11.144 0.844 1.00 0.00 H new ATOM 315 N SER A 18 -9.963 -12.790 3.629 1.00 0.00 N ATOM 316 CA SER A 18 -10.902 -12.694 4.732 1.00 0.00 C ATOM 317 C SER A 18 -10.187 -12.842 6.071 1.00 0.00 C ATOM 318 O SER A 18 -10.363 -12.010 6.966 1.00 0.00 O ATOM 319 CB SER A 18 -11.972 -13.760 4.577 1.00 0.00 C ATOM 320 OG SER A 18 -12.290 -13.876 3.191 1.00 0.00 O ATOM 0 H SER A 18 -10.150 -13.547 2.971 1.00 0.00 H new ATOM 0 HA SER A 18 -11.370 -11.710 4.714 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.617 -14.714 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.860 -13.493 5.149 1.00 0.00 H new ATOM 0 HG SER A 18 -12.568 -14.795 2.995 1.00 0.00 H new ATOM 326 N GLU A 19 -9.303 -13.828 6.171 1.00 0.00 N ATOM 327 CA GLU A 19 -8.507 -13.990 7.378 1.00 0.00 C ATOM 328 C GLU A 19 -7.525 -12.836 7.508 1.00 0.00 C ATOM 329 O GLU A 19 -7.411 -12.212 8.555 1.00 0.00 O ATOM 330 CB GLU A 19 -7.760 -15.349 7.372 1.00 0.00 C ATOM 331 CG GLU A 19 -6.670 -15.370 6.282 1.00 0.00 C ATOM 332 CD GLU A 19 -6.031 -16.745 6.200 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.625 -17.243 7.224 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.954 -17.289 5.115 1.00 0.00 O ATOM 0 H GLU A 19 -9.122 -14.517 5.441 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.175 -13.983 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.308 -15.525 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.469 -16.158 7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.105 -15.106 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.910 -14.621 6.504 1.00 0.00 H new ATOM 341 N LEU A 20 -6.879 -12.514 6.398 1.00 0.00 N ATOM 342 CA LEU A 20 -5.892 -11.447 6.347 1.00 0.00 C ATOM 343 C LEU A 20 -6.509 -10.106 6.728 1.00 0.00 C ATOM 344 O LEU A 20 -5.987 -9.395 7.589 1.00 0.00 O ATOM 345 CB LEU A 20 -5.303 -11.391 4.922 1.00 0.00 C ATOM 346 CG LEU A 20 -4.372 -10.181 4.751 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.290 -10.513 3.716 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.191 -8.987 4.242 1.00 0.00 C ATOM 0 H LEU A 20 -7.025 -12.986 5.506 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.100 -11.653 7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.752 -12.309 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.112 -11.336 4.194 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.908 -9.939 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.628 -9.655 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.712 -11.372 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.760 -10.748 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.537 -8.124 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.645 -9.239 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.974 -8.749 4.962 1.00 0.00 H new ATOM 360 N ALA A 21 -7.660 -9.803 6.159 1.00 0.00 N ATOM 361 CA ALA A 21 -8.352 -8.563 6.474 1.00 0.00 C ATOM 362 C ALA A 21 -8.677 -8.507 7.953 1.00 0.00 C ATOM 363 O ALA A 21 -8.544 -7.451 8.593 1.00 0.00 O ATOM 364 CB ALA A 21 -9.634 -8.427 5.647 1.00 0.00 C ATOM 0 H ALA A 21 -8.136 -10.395 5.478 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.693 -7.732 6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.133 -7.492 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.384 -8.429 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.298 -9.263 5.865 1.00 0.00 H new ATOM 370 N ALA A 22 -9.013 -9.659 8.519 1.00 0.00 N ATOM 371 CA ALA A 22 -9.272 -9.739 9.938 1.00 0.00 C ATOM 372 C ALA A 22 -8.009 -9.428 10.705 1.00 0.00 C ATOM 373 O ALA A 22 -8.046 -8.751 11.735 1.00 0.00 O ATOM 374 CB ALA A 22 -9.796 -11.125 10.320 1.00 0.00 C ATOM 0 H ALA A 22 -9.110 -10.541 8.016 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.037 -9.006 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.983 -11.160 11.393 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.723 -11.324 9.783 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.055 -11.880 10.056 1.00 0.00 H new ATOM 380 N LEU A 23 -6.888 -9.909 10.193 1.00 0.00 N ATOM 381 CA LEU A 23 -5.611 -9.671 10.831 1.00 0.00 C ATOM 382 C LEU A 23 -5.318 -8.179 10.825 1.00 0.00 C ATOM 383 O LEU A 23 -4.732 -7.638 11.767 1.00 0.00 O ATOM 384 CB LEU A 23 -4.475 -10.410 10.106 1.00 0.00 C ATOM 385 CG LEU A 23 -4.695 -11.933 10.151 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.467 -12.666 9.598 1.00 0.00 C ATOM 387 CD2 LEU A 23 -5.008 -12.399 11.573 1.00 0.00 C ATOM 0 H LEU A 23 -6.840 -10.465 9.339 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.666 -10.046 11.853 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.422 -10.077 9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.520 -10.162 10.570 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.553 -12.173 9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.638 -13.742 9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.296 -12.362 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.593 -12.416 10.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.159 -13.478 11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.176 -12.147 12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.913 -11.905 11.927 1.00 0.00 H new ATOM 399 N LEU A 24 -5.658 -7.532 9.716 1.00 0.00 N ATOM 400 CA LEU A 24 -5.356 -6.113 9.532 1.00 0.00 C ATOM 401 C LEU A 24 -6.253 -5.244 10.409 1.00 0.00 C ATOM 402 O LEU A 24 -5.941 -4.068 10.660 1.00 0.00 O ATOM 403 CB LEU A 24 -5.581 -5.697 8.074 1.00 0.00 C ATOM 404 CG LEU A 24 -4.716 -6.521 7.113 1.00 0.00 C ATOM 405 CD1 LEU A 24 -4.992 -6.074 5.682 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.237 -6.352 7.425 1.00 0.00 C ATOM 0 H LEU A 24 -6.143 -7.965 8.930 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.312 -5.969 9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.633 -5.823 7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.349 -4.638 7.957 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.970 -7.574 7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.379 -6.657 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.046 -6.228 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.749 -5.017 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.648 -6.948 6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.962 -5.302 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.040 -6.685 8.444 1.00 0.00 H new ATOM 418 N GLU A 25 -7.412 -5.789 10.763 1.00 0.00 N ATOM 419 CA GLU A 25 -8.466 -5.063 11.485 1.00 0.00 C ATOM 420 C GLU A 25 -9.280 -4.200 10.509 1.00 0.00 C ATOM 421 O GLU A 25 -9.879 -3.191 10.904 1.00 0.00 O ATOM 422 CB GLU A 25 -7.887 -4.166 12.597 1.00 0.00 C ATOM 423 CG GLU A 25 -7.121 -5.006 13.621 1.00 0.00 C ATOM 424 CD GLU A 25 -6.567 -4.110 14.714 1.00 0.00 C ATOM 425 OE1 GLU A 25 -6.103 -3.031 14.404 1.00 0.00 O ATOM 426 OE2 GLU A 25 -6.617 -4.503 15.845 1.00 0.00 O ATOM 0 H GLU A 25 -7.655 -6.758 10.557 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.112 -5.808 11.950 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.223 -3.420 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.693 -3.625 13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.781 -5.757 14.054 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.308 -5.541 13.130 1.00 0.00 H new ATOM 433 N VAL A 26 -9.322 -4.606 9.248 1.00 0.00 N ATOM 434 CA VAL A 26 -10.081 -3.877 8.232 1.00 0.00 C ATOM 435 C VAL A 26 -10.922 -4.826 7.390 1.00 0.00 C ATOM 436 O VAL A 26 -10.760 -6.051 7.471 1.00 0.00 O ATOM 437 CB VAL A 26 -9.154 -3.024 7.344 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.461 -1.953 8.198 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.088 -3.911 6.694 1.00 0.00 C ATOM 0 H VAL A 26 -8.841 -5.435 8.900 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.759 -3.199 8.751 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.753 -2.547 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.806 -1.352 7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.213 -1.311 8.657 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.871 -2.435 8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.438 -3.299 6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.495 -4.395 7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.572 -4.671 6.080 1.00 0.00 H new ATOM 449 N SER A 27 -11.863 -4.274 6.644 1.00 0.00 N ATOM 450 CA SER A 27 -12.755 -5.084 5.842 1.00 0.00 C ATOM 451 C SER A 27 -12.051 -5.670 4.620 1.00 0.00 C ATOM 452 O SER A 27 -11.170 -5.031 4.013 1.00 0.00 O ATOM 453 CB SER A 27 -13.994 -4.274 5.443 1.00 0.00 C ATOM 454 OG SER A 27 -13.598 -2.954 5.038 1.00 0.00 O ATOM 0 H SER A 27 -12.027 -3.269 6.579 1.00 0.00 H new ATOM 0 HA SER A 27 -13.078 -5.929 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.520 -4.773 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.688 -4.215 6.282 1.00 0.00 H new ATOM 0 HG SER A 27 -12.812 -3.013 4.456 1.00 0.00 H new ATOM 460 N ARG A 28 -12.455 -6.874 4.249 1.00 0.00 N ATOM 461 CA ARG A 28 -11.903 -7.571 3.103 1.00 0.00 C ATOM 462 C ARG A 28 -12.214 -6.834 1.809 1.00 0.00 C ATOM 463 O ARG A 28 -11.364 -6.741 0.910 1.00 0.00 O ATOM 464 CB ARG A 28 -12.460 -8.993 3.049 1.00 0.00 C ATOM 465 CG ARG A 28 -11.842 -9.764 1.882 1.00 0.00 C ATOM 466 CD ARG A 28 -12.443 -11.169 1.842 1.00 0.00 C ATOM 467 NE ARG A 28 -13.884 -11.081 1.591 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.696 -12.142 1.672 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.239 -13.290 2.078 1.00 0.00 N ATOM 470 NH2 ARG A 28 -15.963 -12.012 1.389 1.00 0.00 N ATOM 0 H ARG A 28 -13.180 -7.397 4.739 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.819 -7.610 3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.249 -9.509 3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.544 -8.962 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.035 -9.245 0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.760 -9.820 1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.963 -11.759 1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.259 -11.681 2.786 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.284 -10.176 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.257 -13.385 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.863 -14.095 2.138 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.332 -11.104 1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.584 -12.819 1.450 1.00 0.00 H new ATOM 484 N GLN A 29 -13.445 -6.357 1.689 1.00 0.00 N ATOM 485 CA GLN A 29 -13.872 -5.684 0.477 1.00 0.00 C ATOM 486 C GLN A 29 -12.921 -4.558 0.145 1.00 0.00 C ATOM 487 O GLN A 29 -12.511 -4.393 -1.001 1.00 0.00 O ATOM 488 CB GLN A 29 -15.316 -5.151 0.618 1.00 0.00 C ATOM 489 CG GLN A 29 -15.444 -4.233 1.844 1.00 0.00 C ATOM 490 CD GLN A 29 -16.894 -3.784 2.008 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.678 -3.843 1.053 1.00 0.00 O ATOM 492 NE2 GLN A 29 -17.301 -3.340 3.149 1.00 0.00 N ATOM 0 H GLN A 29 -14.160 -6.424 2.413 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.860 -6.407 -0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.595 -4.603 -0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.009 -5.987 0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.114 -4.760 2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.796 -3.364 1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.655 -3.291 3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.269 -3.038 3.263 1.00 0.00 H new ATOM 501 N THR A 30 -12.529 -3.830 1.163 1.00 0.00 N ATOM 502 CA THR A 30 -11.601 -2.744 1.006 1.00 0.00 C ATOM 503 C THR A 30 -10.240 -3.239 0.535 1.00 0.00 C ATOM 504 O THR A 30 -9.677 -2.703 -0.414 1.00 0.00 O ATOM 505 CB THR A 30 -11.467 -2.017 2.343 1.00 0.00 C ATOM 506 OG1 THR A 30 -11.951 -2.872 3.382 1.00 0.00 O ATOM 507 CG2 THR A 30 -12.301 -0.735 2.321 1.00 0.00 C ATOM 0 H THR A 30 -12.846 -3.976 2.121 1.00 0.00 H new ATOM 0 HA THR A 30 -11.980 -2.062 0.245 1.00 0.00 H new ATOM 0 HB THR A 30 -10.422 -1.763 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.316 -3.605 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.202 -0.220 3.277 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.948 -0.085 1.520 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.348 -0.985 2.150 1.00 0.00 H new ATOM 515 N ILE A 31 -9.689 -4.223 1.236 1.00 0.00 N ATOM 516 CA ILE A 31 -8.342 -4.681 0.932 1.00 0.00 C ATOM 517 C ILE A 31 -8.257 -5.292 -0.455 1.00 0.00 C ATOM 518 O ILE A 31 -7.337 -4.995 -1.214 1.00 0.00 O ATOM 519 CB ILE A 31 -7.856 -5.687 1.983 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.715 -5.000 3.351 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.496 -6.255 1.562 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.708 -3.841 3.271 1.00 0.00 C ATOM 0 H ILE A 31 -10.146 -4.711 2.006 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.692 -3.807 0.955 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.585 -6.493 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.685 -4.625 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.386 -5.724 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.153 -6.969 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.593 -6.757 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.773 -5.443 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.621 -3.366 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.735 -4.225 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.054 -3.109 2.541 1.00 0.00 H new ATOM 534 N ASN A 32 -9.220 -6.132 -0.796 1.00 0.00 N ATOM 535 CA ASN A 32 -9.193 -6.758 -2.107 1.00 0.00 C ATOM 536 C ASN A 32 -9.619 -5.770 -3.169 1.00 0.00 C ATOM 537 O ASN A 32 -9.466 -6.020 -4.352 1.00 0.00 O ATOM 538 CB ASN A 32 -10.048 -8.039 -2.154 1.00 0.00 C ATOM 539 CG ASN A 32 -11.499 -7.719 -2.462 1.00 0.00 C ATOM 540 OD1 ASN A 32 -11.941 -7.868 -3.599 1.00 0.00 O ATOM 541 ND2 ASN A 32 -12.274 -7.291 -1.526 1.00 0.00 N ATOM 0 H ASN A 32 -10.009 -6.391 -0.203 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.166 -7.062 -2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.653 -8.715 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.982 -8.559 -1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.250 -7.077 -1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.911 -7.166 -0.581 1.00 0.00 H new ATOM 548 N GLY A 33 -10.117 -4.621 -2.727 1.00 0.00 N ATOM 549 CA GLY A 33 -10.489 -3.544 -3.637 1.00 0.00 C ATOM 550 C GLY A 33 -9.272 -2.705 -4.013 1.00 0.00 C ATOM 551 O GLY A 33 -9.275 -1.996 -5.032 1.00 0.00 O ATOM 0 H GLY A 33 -10.273 -4.411 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.940 -3.962 -4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.242 -2.910 -3.168 1.00 0.00 H new ATOM 555 N ILE A 34 -8.253 -2.732 -3.156 1.00 0.00 N ATOM 556 CA ILE A 34 -7.065 -1.902 -3.356 1.00 0.00 C ATOM 557 C ILE A 34 -6.344 -2.274 -4.638 1.00 0.00 C ATOM 558 O ILE A 34 -5.976 -1.398 -5.433 1.00 0.00 O ATOM 559 CB ILE A 34 -6.109 -2.015 -2.152 1.00 0.00 C ATOM 560 CG1 ILE A 34 -6.758 -1.375 -0.924 1.00 0.00 C ATOM 561 CG2 ILE A 34 -4.794 -1.287 -2.455 1.00 0.00 C ATOM 562 CD1 ILE A 34 -5.909 -1.653 0.322 1.00 0.00 C ATOM 0 H ILE A 34 -8.225 -3.316 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.396 -0.867 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.905 -3.069 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.858 -0.300 -1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.764 -1.772 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.125 -1.372 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.323 -1.736 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.998 -0.235 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.378 -1.194 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.832 -2.729 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.912 -1.234 0.184 1.00 0.00 H new ATOM 574 N GLU A 35 -6.191 -3.566 -4.876 1.00 0.00 N ATOM 575 CA GLU A 35 -5.555 -4.008 -6.092 1.00 0.00 C ATOM 576 C GLU A 35 -6.424 -3.612 -7.265 1.00 0.00 C ATOM 577 O GLU A 35 -5.932 -3.303 -8.354 1.00 0.00 O ATOM 578 CB GLU A 35 -5.360 -5.533 -6.064 1.00 0.00 C ATOM 579 CG GLU A 35 -6.704 -6.237 -5.777 1.00 0.00 C ATOM 580 CD GLU A 35 -6.499 -7.411 -4.843 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.010 -7.193 -3.771 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.834 -8.522 -5.219 1.00 0.00 O ATOM 0 H GLU A 35 -6.495 -4.312 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.575 -3.541 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.959 -5.873 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.631 -5.800 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.404 -5.530 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.148 -6.581 -6.711 1.00 0.00 H new ATOM 589 N LYS A 36 -7.728 -3.701 -7.043 1.00 0.00 N ATOM 590 CA LYS A 36 -8.727 -3.428 -8.061 1.00 0.00 C ATOM 591 C LYS A 36 -8.757 -1.958 -8.439 1.00 0.00 C ATOM 592 O LYS A 36 -8.790 -1.620 -9.623 1.00 0.00 O ATOM 593 CB LYS A 36 -10.096 -3.839 -7.530 1.00 0.00 C ATOM 594 CG LYS A 36 -10.002 -5.255 -6.946 1.00 0.00 C ATOM 595 CD LYS A 36 -10.084 -6.311 -8.039 1.00 0.00 C ATOM 596 CE LYS A 36 -8.706 -6.559 -8.670 1.00 0.00 C ATOM 597 NZ LYS A 36 -8.823 -6.528 -10.148 1.00 0.00 N ATOM 0 H LYS A 36 -8.124 -3.968 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.471 -3.998 -8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.429 -3.138 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.834 -3.811 -8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.064 -5.364 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.807 -5.409 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.470 -7.241 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.787 -5.990 -8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.999 -5.800 -8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.315 -7.523 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.889 -6.696 -10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.484 -7.268 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.178 -5.598 -10.449 1.00 0.00 H new ATOM 611 N ASN A 37 -8.781 -1.085 -7.429 1.00 0.00 N ATOM 612 CA ASN A 37 -8.859 0.367 -7.665 1.00 0.00 C ATOM 613 C ASN A 37 -8.901 1.160 -6.364 1.00 0.00 C ATOM 614 O ASN A 37 -8.869 2.394 -6.389 1.00 0.00 O ATOM 615 CB ASN A 37 -10.113 0.722 -8.498 1.00 0.00 C ATOM 616 CG ASN A 37 -11.321 0.956 -7.583 1.00 0.00 C ATOM 617 OD1 ASN A 37 -11.581 2.087 -7.160 1.00 0.00 O ATOM 618 ND2 ASN A 37 -12.071 -0.044 -7.245 1.00 0.00 N ATOM 0 H ASN A 37 -8.748 -1.351 -6.445 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.956 0.638 -8.212 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.921 1.616 -9.091 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.331 -0.084 -9.198 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.873 0.104 -6.632 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.860 -0.980 -7.592 1.00 0.00 H new ATOM 625 N LYS A 38 -9.119 0.476 -5.250 1.00 0.00 N ATOM 626 CA LYS A 38 -9.319 1.159 -3.975 1.00 0.00 C ATOM 627 C LYS A 38 -8.019 1.798 -3.494 1.00 0.00 C ATOM 628 O LYS A 38 -6.932 1.283 -3.758 1.00 0.00 O ATOM 629 CB LYS A 38 -9.881 0.197 -2.911 1.00 0.00 C ATOM 630 CG LYS A 38 -10.735 0.976 -1.892 1.00 0.00 C ATOM 631 CD LYS A 38 -12.137 1.211 -2.492 1.00 0.00 C ATOM 632 CE LYS A 38 -12.993 2.073 -1.551 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.097 1.418 -0.217 1.00 0.00 N ATOM 0 H LYS A 38 -9.162 -0.542 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.052 1.950 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.485 -0.574 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.063 -0.310 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.813 0.417 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.262 1.929 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.046 1.702 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.629 0.254 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.549 3.063 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.987 2.213 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.083 1.453 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.792 0.427 -0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.488 1.917 0.463 1.00 0.00 H new ATOM 647 N TYR A 39 -8.144 2.951 -2.846 1.00 0.00 N ATOM 648 CA TYR A 39 -6.995 3.718 -2.345 1.00 0.00 C ATOM 649 C TYR A 39 -5.922 2.805 -1.777 1.00 0.00 C ATOM 650 O TYR A 39 -6.221 1.809 -1.128 1.00 0.00 O ATOM 651 CB TYR A 39 -7.452 4.701 -1.249 1.00 0.00 C ATOM 652 CG TYR A 39 -8.603 4.087 -0.476 1.00 0.00 C ATOM 653 CD1 TYR A 39 -8.374 3.027 0.410 1.00 0.00 C ATOM 654 CD2 TYR A 39 -9.902 4.568 -0.660 1.00 0.00 C ATOM 655 CE1 TYR A 39 -9.440 2.449 1.101 1.00 0.00 C ATOM 656 CE2 TYR A 39 -10.963 3.995 0.035 1.00 0.00 C ATOM 657 CZ TYR A 39 -10.734 2.934 0.914 1.00 0.00 C ATOM 658 OH TYR A 39 -11.794 2.353 1.581 1.00 0.00 O ATOM 0 H TYR A 39 -9.045 3.387 -2.650 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.574 4.267 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.624 4.924 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.762 5.645 -1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.371 2.656 0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -10.083 5.385 -1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.263 1.627 1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -11.965 4.372 -0.106 1.00 0.00 H new ATOM 0 HH TYR A 39 -12.494 3.023 1.729 1.00 0.00 H new ATOM 668 N ASN A 40 -4.675 3.189 -1.962 1.00 0.00 N ATOM 669 CA ASN A 40 -3.568 2.437 -1.397 1.00 0.00 C ATOM 670 C ASN A 40 -3.574 2.601 0.110 1.00 0.00 C ATOM 671 O ASN A 40 -3.950 3.658 0.617 1.00 0.00 O ATOM 672 CB ASN A 40 -2.228 2.904 -1.981 1.00 0.00 C ATOM 673 CG ASN A 40 -1.919 2.126 -3.256 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.022 0.896 -3.274 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.549 2.761 -4.329 1.00 0.00 N ATOM 0 H ASN A 40 -4.401 4.014 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.689 1.384 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.268 3.972 -2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.432 2.755 -1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.345 2.243 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.463 3.777 -4.316 1.00 0.00 H new ATOM 682 N PRO A 41 -3.247 1.574 0.838 1.00 0.00 N ATOM 683 CA PRO A 41 -3.316 1.594 2.332 1.00 0.00 C ATOM 684 C PRO A 41 -2.268 2.502 2.965 1.00 0.00 C ATOM 685 O PRO A 41 -1.146 2.608 2.469 1.00 0.00 O ATOM 686 CB PRO A 41 -3.069 0.137 2.714 1.00 0.00 C ATOM 687 CG PRO A 41 -2.257 -0.412 1.594 1.00 0.00 C ATOM 688 CD PRO A 41 -2.774 0.271 0.331 1.00 0.00 C ATOM 0 HA PRO A 41 -4.268 1.990 2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.538 0.060 3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.006 -0.407 2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.197 -0.207 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.366 -1.494 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.989 0.388 -0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.578 -0.298 -0.137 1.00 0.00 H new ATOM 696 N SER A 42 -2.614 3.077 4.111 1.00 0.00 N ATOM 697 CA SER A 42 -1.674 3.881 4.874 1.00 0.00 C ATOM 698 C SER A 42 -0.568 2.981 5.425 1.00 0.00 C ATOM 699 O SER A 42 -0.634 1.749 5.281 1.00 0.00 O ATOM 700 CB SER A 42 -2.397 4.611 6.008 1.00 0.00 C ATOM 701 OG SER A 42 -3.589 5.215 5.491 1.00 0.00 O ATOM 0 H SER A 42 -3.541 3.000 4.530 1.00 0.00 H new ATOM 0 HA SER A 42 -1.227 4.632 4.223 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.645 3.912 6.807 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.747 5.372 6.440 1.00 0.00 H new ATOM 0 HG SER A 42 -4.058 5.683 6.213 1.00 0.00 H new ATOM 707 N LEU A 43 0.450 3.577 6.018 1.00 0.00 N ATOM 708 CA LEU A 43 1.602 2.809 6.476 1.00 0.00 C ATOM 709 C LEU A 43 1.228 1.779 7.508 1.00 0.00 C ATOM 710 O LEU A 43 1.693 0.649 7.440 1.00 0.00 O ATOM 711 CB LEU A 43 2.689 3.720 7.040 1.00 0.00 C ATOM 712 CG LEU A 43 3.469 4.367 5.895 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.415 5.416 6.469 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.286 3.292 5.168 1.00 0.00 C ATOM 0 H LEU A 43 0.507 4.580 6.194 1.00 0.00 H new ATOM 0 HA LEU A 43 1.988 2.289 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.241 4.490 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.365 3.146 7.674 1.00 0.00 H new ATOM 0 HG LEU A 43 2.778 4.836 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.976 5.883 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.839 6.176 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.108 4.940 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.844 3.749 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.982 2.829 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.614 2.533 4.768 1.00 0.00 H new ATOM 726 N GLN A 44 0.376 2.136 8.445 1.00 0.00 N ATOM 727 CA GLN A 44 0.004 1.182 9.462 1.00 0.00 C ATOM 728 C GLN A 44 -0.627 -0.022 8.794 1.00 0.00 C ATOM 729 O GLN A 44 -0.248 -1.162 9.041 1.00 0.00 O ATOM 730 CB GLN A 44 -1.015 1.811 10.412 1.00 0.00 C ATOM 731 CG GLN A 44 -1.394 0.822 11.521 1.00 0.00 C ATOM 732 CD GLN A 44 -2.678 1.280 12.177 1.00 0.00 C ATOM 733 OE1 GLN A 44 -2.702 1.599 13.368 1.00 0.00 O ATOM 734 NE2 GLN A 44 -3.760 1.336 11.461 1.00 0.00 N ATOM 0 H GLN A 44 -0.061 3.054 8.523 1.00 0.00 H new ATOM 0 HA GLN A 44 0.889 0.884 10.024 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.600 2.718 10.851 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.906 2.104 9.857 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.520 -0.178 11.106 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.595 0.762 12.260 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.734 1.071 10.476 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.636 1.645 11.883 1.00 0.00 H new ATOM 743 N LEU A 45 -1.553 0.252 7.907 1.00 0.00 N ATOM 744 CA LEU A 45 -2.221 -0.783 7.159 1.00 0.00 C ATOM 745 C LEU A 45 -1.216 -1.524 6.278 1.00 0.00 C ATOM 746 O LEU A 45 -1.172 -2.755 6.266 1.00 0.00 O ATOM 747 CB LEU A 45 -3.346 -0.151 6.320 1.00 0.00 C ATOM 748 CG LEU A 45 -4.414 -1.182 5.922 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.846 -2.188 4.927 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.939 -1.915 7.165 1.00 0.00 C ATOM 0 H LEU A 45 -1.864 1.198 7.684 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.662 -1.511 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.813 0.654 6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.921 0.296 5.422 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.240 -0.651 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.618 -2.909 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.511 -1.665 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.003 -2.711 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.695 -2.642 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.115 -2.430 7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.381 -1.194 7.853 1.00 0.00 H new ATOM 762 N ALA A 46 -0.356 -0.765 5.603 1.00 0.00 N ATOM 763 CA ALA A 46 0.679 -1.356 4.756 1.00 0.00 C ATOM 764 C ALA A 46 1.631 -2.198 5.587 1.00 0.00 C ATOM 765 O ALA A 46 1.943 -3.339 5.227 1.00 0.00 O ATOM 766 CB ALA A 46 1.455 -0.267 4.002 1.00 0.00 C ATOM 0 H ALA A 46 -0.354 0.255 5.625 1.00 0.00 H new ATOM 0 HA ALA A 46 0.190 -2.000 4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.219 -0.731 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.768 0.300 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.929 0.404 4.718 1.00 0.00 H new ATOM 772 N LEU A 47 2.031 -1.671 6.738 1.00 0.00 N ATOM 773 CA LEU A 47 2.900 -2.411 7.640 1.00 0.00 C ATOM 774 C LEU A 47 2.207 -3.669 8.108 1.00 0.00 C ATOM 775 O LEU A 47 2.803 -4.753 8.102 1.00 0.00 O ATOM 776 CB LEU A 47 3.321 -1.560 8.846 1.00 0.00 C ATOM 777 CG LEU A 47 4.301 -0.452 8.408 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.522 0.523 9.570 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.651 -1.079 8.013 1.00 0.00 C ATOM 0 H LEU A 47 1.769 -0.741 7.066 1.00 0.00 H new ATOM 0 HA LEU A 47 3.803 -2.677 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.441 -1.113 9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.791 -2.193 9.599 1.00 0.00 H new ATOM 0 HG LEU A 47 3.882 0.080 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.214 1.306 9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.570 0.972 9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.939 -0.015 10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.341 -0.293 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.068 -1.613 8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.501 -1.775 7.188 1.00 0.00 H new ATOM 791 N LYS A 48 0.919 -3.553 8.433 1.00 0.00 N ATOM 792 CA LYS A 48 0.173 -4.732 8.822 1.00 0.00 C ATOM 793 C LYS A 48 0.135 -5.740 7.698 1.00 0.00 C ATOM 794 O LYS A 48 0.325 -6.937 7.929 1.00 0.00 O ATOM 795 CB LYS A 48 -1.270 -4.407 9.209 1.00 0.00 C ATOM 796 CG LYS A 48 -1.373 -3.707 10.564 1.00 0.00 C ATOM 797 CD LYS A 48 -2.867 -3.523 10.844 1.00 0.00 C ATOM 798 CE LYS A 48 -3.125 -3.041 12.266 1.00 0.00 C ATOM 799 NZ LYS A 48 -4.515 -3.433 12.626 1.00 0.00 N ATOM 0 H LYS A 48 0.391 -2.680 8.433 1.00 0.00 H new ATOM 0 HA LYS A 48 0.691 -5.142 9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.714 -3.772 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.851 -5.329 9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.902 -4.303 11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.860 -2.745 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.283 -2.805 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.386 -4.468 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.410 -3.486 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.002 -1.960 12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.863 -2.816 13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.130 -3.335 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.524 -4.421 12.949 1.00 0.00 H new ATOM 813 N ILE A 49 -0.116 -5.276 6.483 1.00 0.00 N ATOM 814 CA ILE A 49 -0.194 -6.201 5.371 1.00 0.00 C ATOM 815 C ILE A 49 1.151 -6.864 5.165 1.00 0.00 C ATOM 816 O ILE A 49 1.242 -8.083 5.098 1.00 0.00 O ATOM 817 CB ILE A 49 -0.665 -5.497 4.083 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.106 -5.037 4.277 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.633 -6.487 2.907 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.549 -4.223 3.061 1.00 0.00 C ATOM 0 H ILE A 49 -0.265 -4.294 6.249 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.934 -6.965 5.608 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.010 -4.651 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.760 -5.899 4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.188 -4.434 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.967 -5.984 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.384 -6.852 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.294 -7.327 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.579 -3.894 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.902 -3.353 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.483 -4.841 2.166 1.00 0.00 H new ATOM 832 N ALA A 50 2.208 -6.071 5.192 1.00 0.00 N ATOM 833 CA ALA A 50 3.553 -6.619 5.074 1.00 0.00 C ATOM 834 C ALA A 50 3.803 -7.618 6.190 1.00 0.00 C ATOM 835 O ALA A 50 4.256 -8.748 5.950 1.00 0.00 O ATOM 836 CB ALA A 50 4.592 -5.497 5.146 1.00 0.00 C ATOM 0 H ALA A 50 2.166 -5.057 5.293 1.00 0.00 H new ATOM 0 HA ALA A 50 3.642 -7.122 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.592 -5.921 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.423 -4.792 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.502 -4.978 6.100 1.00 0.00 H new ATOM 842 N TYR A 51 3.511 -7.194 7.408 1.00 0.00 N ATOM 843 CA TYR A 51 3.704 -8.028 8.582 1.00 0.00 C ATOM 844 C TYR A 51 2.832 -9.280 8.551 1.00 0.00 C ATOM 845 O TYR A 51 3.336 -10.398 8.701 1.00 0.00 O ATOM 846 CB TYR A 51 3.416 -7.201 9.845 1.00 0.00 C ATOM 847 CG TYR A 51 3.499 -8.068 11.079 1.00 0.00 C ATOM 848 CD1 TYR A 51 4.734 -8.576 11.499 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.341 -8.348 11.811 1.00 0.00 C ATOM 850 CE1 TYR A 51 4.805 -9.360 12.652 1.00 0.00 C ATOM 851 CE2 TYR A 51 2.415 -9.135 12.960 1.00 0.00 C ATOM 852 CZ TYR A 51 3.645 -9.641 13.379 1.00 0.00 C ATOM 853 OH TYR A 51 3.716 -10.406 14.516 1.00 0.00 O ATOM 0 H TYR A 51 3.136 -6.267 7.610 1.00 0.00 H new ATOM 0 HA TYR A 51 4.740 -8.367 8.590 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.131 -6.382 9.921 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.425 -6.753 9.775 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.629 -8.362 10.933 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.389 -7.955 11.486 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.757 -9.749 12.982 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.520 -9.352 13.525 1.00 0.00 H new ATOM 0 HH TYR A 51 2.820 -10.504 14.901 1.00 0.00 H new ATOM 863 N TYR A 52 1.529 -9.100 8.343 1.00 0.00 N ATOM 864 CA TYR A 52 0.607 -10.237 8.299 1.00 0.00 C ATOM 865 C TYR A 52 0.801 -11.087 7.063 1.00 0.00 C ATOM 866 O TYR A 52 0.803 -12.315 7.139 1.00 0.00 O ATOM 867 CB TYR A 52 -0.855 -9.808 8.474 1.00 0.00 C ATOM 868 CG TYR A 52 -1.079 -9.460 9.931 1.00 0.00 C ATOM 869 CD1 TYR A 52 -1.085 -10.480 10.895 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.258 -8.131 10.325 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.275 -10.169 12.241 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.444 -7.822 11.679 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.452 -8.843 12.635 1.00 0.00 C ATOM 874 OH TYR A 52 -1.633 -8.541 13.965 1.00 0.00 O ATOM 0 H TYR A 52 1.090 -8.190 8.204 1.00 0.00 H new ATOM 0 HA TYR A 52 0.855 -10.865 9.154 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.077 -8.949 7.840 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.525 -10.611 8.168 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.942 -11.507 10.594 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.253 -7.343 9.587 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.285 -10.957 12.980 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.581 -6.795 11.985 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.740 -7.572 14.069 1.00 0.00 H new ATOM 884 N LEU A 53 1.020 -10.442 5.933 1.00 0.00 N ATOM 885 CA LEU A 53 1.314 -11.152 4.701 1.00 0.00 C ATOM 886 C LEU A 53 2.622 -11.904 4.874 1.00 0.00 C ATOM 887 O LEU A 53 2.825 -12.979 4.297 1.00 0.00 O ATOM 888 CB LEU A 53 1.377 -10.179 3.502 1.00 0.00 C ATOM 889 CG LEU A 53 1.178 -10.897 2.149 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.504 -11.470 1.646 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.130 -12.013 2.252 1.00 0.00 C ATOM 0 H LEU A 53 1.000 -9.426 5.842 1.00 0.00 H new ATOM 0 HA LEU A 53 0.516 -11.863 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.611 -9.412 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.341 -9.670 3.501 1.00 0.00 H new ATOM 0 HG LEU A 53 0.815 -10.157 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.345 -11.972 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.223 -10.662 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.890 -12.185 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.016 -12.496 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.453 -12.749 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.825 -11.588 2.560 1.00 0.00 H new ATOM 903 N ASN A 54 3.540 -11.286 5.617 1.00 0.00 N ATOM 904 CA ASN A 54 4.881 -11.822 5.818 1.00 0.00 C ATOM 905 C ASN A 54 5.689 -11.586 4.563 1.00 0.00 C ATOM 906 O ASN A 54 6.007 -12.522 3.823 1.00 0.00 O ATOM 907 CB ASN A 54 4.864 -13.329 6.165 1.00 0.00 C ATOM 908 CG ASN A 54 3.735 -13.673 7.132 1.00 0.00 C ATOM 909 OD1 ASN A 54 3.281 -14.818 7.173 1.00 0.00 O ATOM 910 ND2 ASN A 54 3.250 -12.766 7.915 1.00 0.00 N ATOM 0 H ASN A 54 3.373 -10.401 6.095 1.00 0.00 H new ATOM 0 HA ASN A 54 5.333 -11.308 6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.750 -13.912 5.251 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.820 -13.612 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.496 -13.000 8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.621 -11.816 7.887 1.00 0.00 H new ATOM 917 N THR A 55 5.852 -10.321 4.231 1.00 0.00 N ATOM 918 CA THR A 55 6.489 -9.911 2.995 1.00 0.00 C ATOM 919 C THR A 55 6.862 -8.431 3.103 1.00 0.00 C ATOM 920 O THR A 55 6.182 -7.670 3.799 1.00 0.00 O ATOM 921 CB THR A 55 5.504 -10.156 1.834 1.00 0.00 C ATOM 922 OG1 THR A 55 5.412 -11.555 1.578 1.00 0.00 O ATOM 923 CG2 THR A 55 5.932 -9.428 0.554 1.00 0.00 C ATOM 0 H THR A 55 5.544 -9.543 4.815 1.00 0.00 H new ATOM 0 HA THR A 55 7.398 -10.483 2.809 1.00 0.00 H new ATOM 0 HB THR A 55 4.533 -9.760 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.970 -12.042 2.220 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.210 -9.629 -0.237 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.975 -8.355 0.743 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.916 -9.782 0.246 1.00 0.00 H new ATOM 931 N PRO A 56 7.937 -8.015 2.486 1.00 0.00 N ATOM 932 CA PRO A 56 8.398 -6.605 2.576 1.00 0.00 C ATOM 933 C PRO A 56 7.376 -5.636 1.985 1.00 0.00 C ATOM 934 O PRO A 56 6.601 -5.992 1.090 1.00 0.00 O ATOM 935 CB PRO A 56 9.718 -6.596 1.787 1.00 0.00 C ATOM 936 CG PRO A 56 9.613 -7.764 0.863 1.00 0.00 C ATOM 937 CD PRO A 56 8.840 -8.832 1.642 1.00 0.00 C ATOM 0 HA PRO A 56 8.528 -6.274 3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.844 -5.664 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.577 -6.692 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.091 -7.493 -0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.600 -8.126 0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.286 -9.497 0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.502 -9.457 2.241 1.00 0.00 H new ATOM 945 N LEU A 57 7.363 -4.431 2.518 1.00 0.00 N ATOM 946 CA LEU A 57 6.402 -3.410 2.127 1.00 0.00 C ATOM 947 C LEU A 57 6.554 -3.136 0.634 1.00 0.00 C ATOM 948 O LEU A 57 5.567 -2.958 -0.091 1.00 0.00 O ATOM 949 CB LEU A 57 6.681 -2.122 2.931 1.00 0.00 C ATOM 950 CG LEU A 57 5.391 -1.297 3.125 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.642 -1.136 1.805 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.485 -1.996 4.147 1.00 0.00 C ATOM 0 H LEU A 57 8.019 -4.128 3.237 1.00 0.00 H new ATOM 0 HA LEU A 57 5.386 -3.748 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.101 -2.380 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.427 -1.520 2.412 1.00 0.00 H new ATOM 0 HG LEU A 57 5.666 -0.307 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.737 -0.551 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.280 -0.623 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.373 -2.119 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.574 -1.413 4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.228 -2.991 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.008 -2.080 5.099 1.00 0.00 H new ATOM 964 N GLU A 58 7.796 -3.133 0.184 1.00 0.00 N ATOM 965 CA GLU A 58 8.105 -2.859 -1.203 1.00 0.00 C ATOM 966 C GLU A 58 7.411 -3.858 -2.136 1.00 0.00 C ATOM 967 O GLU A 58 6.889 -3.471 -3.166 1.00 0.00 O ATOM 968 CB GLU A 58 9.622 -2.908 -1.420 1.00 0.00 C ATOM 969 CG GLU A 58 10.289 -1.724 -0.701 1.00 0.00 C ATOM 970 CD GLU A 58 11.803 -1.831 -0.761 1.00 0.00 C ATOM 971 OE1 GLU A 58 12.304 -2.756 -1.370 1.00 0.00 O ATOM 972 OE2 GLU A 58 12.453 -0.989 -0.179 1.00 0.00 O ATOM 0 H GLU A 58 8.612 -3.319 0.767 1.00 0.00 H new ATOM 0 HA GLU A 58 7.736 -1.861 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.023 -3.848 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.848 -2.872 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.969 -0.789 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.964 -1.696 0.339 1.00 0.00 H new ATOM 979 N ASP A 59 7.397 -5.140 -1.778 1.00 0.00 N ATOM 980 CA ASP A 59 6.740 -6.129 -2.653 1.00 0.00 C ATOM 981 C ASP A 59 5.259 -5.832 -2.783 1.00 0.00 C ATOM 982 O ASP A 59 4.700 -5.865 -3.886 1.00 0.00 O ATOM 983 CB ASP A 59 6.893 -7.564 -2.114 1.00 0.00 C ATOM 984 CG ASP A 59 8.201 -8.205 -2.533 1.00 0.00 C ATOM 985 OD1 ASP A 59 8.805 -7.748 -3.482 1.00 0.00 O ATOM 986 OD2 ASP A 59 8.578 -9.167 -1.911 1.00 0.00 O ATOM 0 H ASP A 59 7.813 -5.516 -0.926 1.00 0.00 H new ATOM 0 HA ASP A 59 7.229 -6.055 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.832 -7.548 -1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.063 -8.173 -2.471 1.00 0.00 H new ATOM 991 N ILE A 60 4.610 -5.644 -1.646 1.00 0.00 N ATOM 992 CA ILE A 60 3.166 -5.486 -1.604 1.00 0.00 C ATOM 993 C ILE A 60 2.687 -4.157 -2.175 1.00 0.00 C ATOM 994 O ILE A 60 1.705 -4.120 -2.921 1.00 0.00 O ATOM 995 CB ILE A 60 2.629 -5.720 -0.177 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.312 -4.769 0.811 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.909 -7.167 0.247 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.664 -4.911 2.190 1.00 0.00 C ATOM 0 H ILE A 60 5.064 -5.597 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 60 2.751 -6.253 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 60 1.555 -5.532 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.376 -4.995 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.225 -3.740 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.529 -7.331 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.414 -7.851 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.983 -7.350 0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.151 -4.234 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.605 -4.663 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.774 -5.937 2.540 1.00 0.00 H new ATOM 1010 N PHE A 61 3.372 -3.074 -1.831 1.00 0.00 N ATOM 1011 CA PHE A 61 2.980 -1.749 -2.310 1.00 0.00 C ATOM 1012 C PHE A 61 4.154 -1.018 -2.923 1.00 0.00 C ATOM 1013 O PHE A 61 4.434 0.127 -2.584 1.00 0.00 O ATOM 1014 CB PHE A 61 2.338 -0.929 -1.183 1.00 0.00 C ATOM 1015 CG PHE A 61 1.073 -1.635 -0.746 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.046 -1.644 -1.588 1.00 0.00 C ATOM 1017 CD2 PHE A 61 1.022 -2.295 0.490 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.212 -2.312 -1.195 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.144 -2.963 0.882 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.261 -2.972 0.040 1.00 0.00 C ATOM 0 H PHE A 61 4.195 -3.083 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 61 2.234 -1.882 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.027 -0.831 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.110 0.079 -1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.010 -1.136 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.884 -2.288 1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.075 -2.319 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.181 -3.471 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.161 -3.487 0.342 1.00 0.00 H new ATOM 1030 N GLN A 62 4.866 -1.706 -3.798 1.00 0.00 N ATOM 1031 CA GLN A 62 6.058 -1.154 -4.421 1.00 0.00 C ATOM 1032 C GLN A 62 5.752 0.170 -5.107 1.00 0.00 C ATOM 1033 O GLN A 62 4.747 0.301 -5.822 1.00 0.00 O ATOM 1034 CB GLN A 62 6.671 -2.175 -5.417 1.00 0.00 C ATOM 1035 CG GLN A 62 6.520 -1.701 -6.871 1.00 0.00 C ATOM 1036 CD GLN A 62 6.975 -2.789 -7.834 1.00 0.00 C ATOM 1037 OE1 GLN A 62 7.337 -3.942 -7.377 1.00 0.00 O flip ATOM 1038 NE2 GLN A 62 7.002 -2.577 -9.049 1.00 0.00 N flip ATOM 0 H GLN A 62 4.638 -2.655 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 62 6.794 -0.957 -3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.727 -2.320 -5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.183 -3.142 -5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.480 -1.442 -7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.109 -0.797 -7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.717 -1.668 -9.415 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.309 -3.310 -9.688 1.00 0.00 H new ATOM 1047 N TRP A 63 6.642 1.127 -4.934 1.00 0.00 N ATOM 1048 CA TRP A 63 6.498 2.419 -5.573 1.00 0.00 C ATOM 1049 C TRP A 63 7.363 2.482 -6.818 1.00 0.00 C ATOM 1050 O TRP A 63 8.452 1.901 -6.861 1.00 0.00 O ATOM 1051 CB TRP A 63 6.880 3.565 -4.615 1.00 0.00 C ATOM 1052 CG TRP A 63 7.879 3.081 -3.612 1.00 0.00 C ATOM 1053 CD1 TRP A 63 9.213 3.245 -3.705 1.00 0.00 C ATOM 1054 CD2 TRP A 63 7.641 2.357 -2.375 1.00 0.00 C ATOM 1055 NE1 TRP A 63 9.810 2.661 -2.604 1.00 0.00 N ATOM 1056 CE2 TRP A 63 8.882 2.105 -1.754 1.00 0.00 C ATOM 1057 CE3 TRP A 63 6.479 1.905 -1.739 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 8.970 1.423 -0.546 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 6.558 1.216 -0.520 1.00 0.00 C ATOM 1060 CH2 TRP A 63 7.803 0.977 0.075 1.00 0.00 C ATOM 0 H TRP A 63 7.476 1.033 -4.354 1.00 0.00 H new ATOM 0 HA TRP A 63 5.451 2.541 -5.849 1.00 0.00 H new ATOM 0 HB2 TRP A 63 7.295 4.400 -5.180 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.991 3.936 -4.105 1.00 0.00 H new ATOM 0 HD1 TRP A 63 9.730 3.750 -4.508 1.00 0.00 H new ATOM 0 HE1 TRP A 63 10.817 2.644 -2.441 1.00 0.00 H new ATOM 0 HE3 TRP A 63 5.515 2.088 -2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 9.933 1.240 -0.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.656 0.869 -0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 63 7.860 0.447 1.015 1.00 0.00 H new ATOM 1071 N GLN A 64 6.877 3.178 -7.818 1.00 0.00 N ATOM 1072 CA GLN A 64 7.599 3.365 -9.062 1.00 0.00 C ATOM 1073 C GLN A 64 8.283 4.726 -9.032 1.00 0.00 C ATOM 1074 O GLN A 64 7.618 5.750 -9.138 1.00 0.00 O ATOM 1075 CB GLN A 64 6.617 3.302 -10.239 1.00 0.00 C ATOM 1076 CG GLN A 64 5.769 2.021 -10.139 1.00 0.00 C ATOM 1077 CD GLN A 64 6.616 0.791 -10.441 1.00 0.00 C ATOM 1078 OE1 GLN A 64 7.436 0.342 -9.545 1.00 0.00 O flip ATOM 1079 NE2 GLN A 64 6.522 0.223 -11.531 1.00 0.00 N flip ATOM 0 H GLN A 64 5.965 3.634 -7.795 1.00 0.00 H new ATOM 0 HA GLN A 64 8.346 2.580 -9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.970 4.179 -10.233 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.163 3.315 -11.182 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.342 1.938 -9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.935 2.075 -10.839 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.876 0.577 -12.237 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.090 -0.601 -11.727 1.00 0.00 H new ATOM 1088 N PRO A 65 9.578 4.765 -8.789 1.00 0.00 N ATOM 1089 CA PRO A 65 10.329 6.051 -8.598 1.00 0.00 C ATOM 1090 C PRO A 65 10.339 6.952 -9.839 1.00 0.00 C ATOM 1091 O PRO A 65 11.199 7.829 -9.966 1.00 0.00 O ATOM 1092 CB PRO A 65 11.752 5.606 -8.225 1.00 0.00 C ATOM 1093 CG PRO A 65 11.873 4.207 -8.730 1.00 0.00 C ATOM 1094 CD PRO A 65 10.470 3.593 -8.670 1.00 0.00 C ATOM 0 HA PRO A 65 9.853 6.666 -7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.499 6.255 -8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.908 5.650 -7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.257 4.196 -9.750 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.572 3.635 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.308 2.881 -9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.306 3.056 -7.736 1.00 0.00 H new ATOM 1102 N GLU A 66 9.355 6.782 -10.707 1.00 0.00 N ATOM 1103 CA GLU A 66 9.203 7.633 -11.879 1.00 0.00 C ATOM 1104 C GLU A 66 8.241 8.768 -11.560 1.00 0.00 C ATOM 1105 O GLU A 66 7.279 8.517 -10.877 1.00 0.00 O ATOM 1106 CB GLU A 66 8.674 6.821 -13.073 1.00 0.00 C ATOM 1107 CG GLU A 66 9.672 6.898 -14.237 1.00 0.00 C ATOM 1108 CD GLU A 66 10.774 5.874 -14.057 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.480 4.701 -14.131 1.00 0.00 O ATOM 1110 OE2 GLU A 66 11.897 6.270 -13.854 1.00 0.00 O ATOM 1111 OXT GLU A 66 8.478 9.867 -11.994 1.00 0.00 O ATOM 0 H GLU A 66 8.643 6.056 -10.622 1.00 0.00 H new ATOM 0 HA GLU A 66 10.177 8.043 -12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.523 5.782 -12.780 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.705 7.208 -13.387 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.155 6.723 -15.180 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.102 7.898 -14.290 1.00 0.00 H new TER 1118 GLU A 66