USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 807 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 86 ASN :FLIP amide:sc= -0.718 F(o=-3.2!,f=0.24) USER MOD Set 1.2: A 104 THR OG1 : rot -11:sc= 0.958 USER MOD Set 2.1: A 72 HIS : no HE2:sc= -3.73! C(o=-7.5!,f=-16!) USER MOD Set 2.2: A 74 HIS : no HD1:sc= -3.81! C(o=-7.5!,f=-11!) USER MOD Set 3.1: A 55 ASN : amide:sc= 0.344 K(o=1.7,f=-5.9!) USER MOD Set 3.2: A 57 TYR OH : rot -11:sc= 1.34 USER MOD Set 4.1: A 47 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Set 4.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 45 SER OG : rot 48:sc= 0.893 USER MOD Set 5.2: A 83 HIS : no HE2:sc= -6.76! C(o=-5.9!,f=-11!) USER MOD Set 6.1: A 37 TYR OH : rot 44:sc= -5.22! USER MOD Set 6.2: A 90 MET CE :methyl -179:sc= -5.6! (180deg=-5.22!) USER MOD Set 7.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 8.1: A 28 SER OG : rot 87:sc= 1.34 USER MOD Set 8.2: A 89 TYR OH : rot 9:sc= -1.95! USER MOD Set 9.1: A 6 THR OG1 : rot -22:sc= 0.262 USER MOD Set 9.2: A 9 HIS : no HD1:sc= -2.76! C(o=-2.5!,f=-10!) USER MOD Single : A 3 HIS : no HE2:sc= -4.8! C(o=-4.8!,f=-5.1!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc=-0.00628 (180deg=-0.0748) USER MOD Single : A 10 ASN :FLIP amide:sc= -3! C(o=-4.2!,f=-3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.103 F(o=-1.6,f=-0.1) USER MOD Single : A 29 ASN : amide:sc= -3.98! C(o=-4!,f=-5.3!) USER MOD Single : A 42 THR OG1 : rot -150:sc= -1.12 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0.367 (180deg=0.293) USER MOD Single : A 50 MET CE :methyl -164:sc= -1.36 (180deg=-2.47!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= -0.071 (180deg=-0.431) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= 0.793 (180deg=-0.351) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 138:sc= 0.991 USER MOD Single : A 78 LYS NZ :NH3+ -115:sc= 1.06 (180deg=0.0914) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 115:sc= 1.94 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD Single : A 100 SER OG : rot 160:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -6.197 -9.965 5.578 1.00 0.59 N ATOM 2 CA HIS A 3 -5.198 -9.127 6.215 1.00 0.46 C ATOM 3 C HIS A 3 -5.227 -7.757 5.553 1.00 0.43 C ATOM 4 O HIS A 3 -5.403 -7.662 4.338 1.00 0.47 O ATOM 5 CB HIS A 3 -3.805 -9.754 6.080 1.00 0.45 C ATOM 6 CG HIS A 3 -2.680 -8.773 6.235 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.410 -8.093 7.405 1.00 0.47 N ATOM 8 CD2 HIS A 3 -1.766 -8.347 5.334 1.00 0.45 C ATOM 9 CE1 HIS A 3 -1.385 -7.287 7.216 1.00 0.52 C ATOM 10 NE2 HIS A 3 -0.973 -7.420 5.967 1.00 0.51 N ATOM 0 HA HIS A 3 -5.420 -9.032 7.278 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.696 -10.538 6.829 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.725 -10.232 5.104 1.00 0.45 H new ATOM 0 HD1 HIS A 3 -2.924 -8.198 8.280 1.00 0.47 H new ATOM 0 HD2 HIS A 3 -1.676 -8.674 4.309 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -0.954 -6.629 7.956 1.00 0.52 H new ATOM 19 N LYS A 4 -5.046 -6.711 6.337 1.00 0.40 N ATOM 20 CA LYS A 4 -5.066 -5.366 5.802 1.00 0.39 C ATOM 21 C LYS A 4 -3.922 -4.534 6.371 1.00 0.35 C ATOM 22 O LYS A 4 -3.444 -4.789 7.478 1.00 0.43 O ATOM 23 CB LYS A 4 -6.411 -4.704 6.109 1.00 0.54 C ATOM 24 CG LYS A 4 -6.616 -4.371 7.582 1.00 0.90 C ATOM 25 CD LYS A 4 -7.826 -3.474 7.794 1.00 1.13 C ATOM 26 CE LYS A 4 -7.969 -3.068 9.254 1.00 1.92 C ATOM 27 NZ LYS A 4 -9.074 -2.091 9.456 1.00 2.36 N ATOM 0 H LYS A 4 -4.884 -6.768 7.342 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.934 -5.422 4.721 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.495 -3.788 5.525 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.213 -5.365 5.782 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -6.743 -5.293 8.149 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -5.725 -3.878 7.971 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -7.732 -2.582 7.175 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -8.727 -3.994 7.470 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -8.154 -3.955 9.860 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -7.032 -2.633 9.603 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -9.137 -1.841 10.464 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -8.886 -1.234 8.898 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -9.972 -2.514 9.148 1.00 2.36 H new ATOM 41 N VAL A 5 -3.467 -3.561 5.598 1.00 0.31 N ATOM 42 CA VAL A 5 -2.448 -2.635 6.057 1.00 0.33 C ATOM 43 C VAL A 5 -2.942 -1.191 5.976 1.00 0.27 C ATOM 44 O VAL A 5 -3.833 -0.869 5.198 1.00 0.29 O ATOM 45 CB VAL A 5 -1.098 -2.832 5.306 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.328 -1.534 5.156 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.253 -3.843 6.056 1.00 0.49 C ATOM 0 H VAL A 5 -3.790 -3.393 4.645 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.253 -2.857 7.106 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.324 -3.193 4.303 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.605 -1.724 4.626 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -0.927 -0.819 4.592 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.109 -1.125 6.142 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.693 -3.985 5.534 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.060 -3.479 7.065 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.784 -4.793 6.109 1.00 0.49 H new ATOM 57 N THR A 6 -2.346 -0.350 6.807 1.00 0.41 N ATOM 58 CA THR A 6 -2.744 1.035 6.993 1.00 0.33 C ATOM 59 C THR A 6 -1.494 1.876 7.213 1.00 0.37 C ATOM 60 O THR A 6 -0.413 1.308 7.350 1.00 0.51 O ATOM 61 CB THR A 6 -3.688 1.181 8.193 1.00 0.36 C ATOM 62 OG1 THR A 6 -3.201 0.385 9.286 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.105 0.763 7.820 1.00 0.36 C ATOM 0 H THR A 6 -1.551 -0.620 7.386 1.00 0.41 H new ATOM 0 HA THR A 6 -3.277 1.375 6.105 1.00 0.33 H new ATOM 0 HB THR A 6 -3.716 2.228 8.495 1.00 0.36 H new ATOM 0 HG1 THR A 6 -2.612 -0.319 8.941 1.00 0.51 H new ATOM 0 HG21 THR A 6 -5.757 0.875 8.686 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.469 1.393 7.008 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.104 -0.278 7.498 1.00 0.36 H new ATOM 71 N LYS A 7 -1.619 3.201 7.214 1.00 0.30 N ATOM 72 CA LYS A 7 -0.457 4.091 7.331 1.00 0.28 C ATOM 73 C LYS A 7 0.483 3.687 8.480 1.00 0.27 C ATOM 74 O LYS A 7 1.694 3.765 8.330 1.00 0.32 O ATOM 75 CB LYS A 7 -0.908 5.544 7.507 1.00 0.27 C ATOM 76 CG LYS A 7 0.240 6.547 7.527 1.00 0.28 C ATOM 77 CD LYS A 7 1.211 6.309 6.377 1.00 0.42 C ATOM 78 CE LYS A 7 2.269 7.406 6.285 1.00 0.35 C ATOM 79 NZ LYS A 7 3.029 7.581 7.556 1.00 0.83 N ATOM 0 H LYS A 7 -2.513 3.687 7.135 1.00 0.30 H new ATOM 0 HA LYS A 7 0.107 3.996 6.403 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -1.590 5.803 6.698 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.469 5.630 8.437 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.159 7.559 7.464 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.773 6.473 8.475 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.700 5.344 6.509 1.00 0.42 H new ATOM 0 HD3 LYS A 7 0.657 6.260 5.439 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.965 7.168 5.480 1.00 0.35 H new ATOM 0 HE3 LYS A 7 1.788 8.348 6.022 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 3.810 8.251 7.404 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 2.394 7.950 8.292 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 3.414 6.664 7.859 1.00 0.83 H new ATOM 93 N ALA A 8 -0.067 3.242 9.608 1.00 0.25 N ATOM 94 CA ALA A 8 0.758 2.803 10.744 1.00 0.26 C ATOM 95 C ALA A 8 1.681 1.653 10.341 1.00 0.23 C ATOM 96 O ALA A 8 2.856 1.589 10.731 1.00 0.24 O ATOM 97 CB ALA A 8 -0.124 2.373 11.900 1.00 0.33 C ATOM 0 H ALA A 8 -1.073 3.174 9.765 1.00 0.25 H new ATOM 0 HA ALA A 8 1.374 3.646 11.057 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.500 2.051 12.734 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -0.745 3.211 12.215 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.762 1.547 11.584 1.00 0.33 H new ATOM 103 N HIS A 9 1.145 0.771 9.511 1.00 0.23 N ATOM 104 CA HIS A 9 1.874 -0.392 9.028 1.00 0.23 C ATOM 105 C HIS A 9 3.079 0.019 8.179 1.00 0.23 C ATOM 106 O HIS A 9 3.836 -0.838 7.716 1.00 0.25 O ATOM 107 CB HIS A 9 0.960 -1.301 8.217 1.00 0.28 C ATOM 108 CG HIS A 9 0.013 -2.149 9.022 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.345 -1.901 9.102 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.213 -3.319 9.678 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.931 -2.889 9.751 1.00 1.69 C ATOM 112 NE2 HIS A 9 -1.010 -3.754 10.114 1.00 2.12 N ATOM 0 H HIS A 9 0.192 0.841 9.153 1.00 0.23 H new ATOM 0 HA HIS A 9 2.236 -0.936 9.900 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.377 -0.685 7.533 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.579 -1.958 7.606 1.00 0.28 H new ATOM 0 HD2 HIS A 9 1.160 -3.815 9.828 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -2.989 -2.973 9.950 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -1.180 -4.613 10.637 1.00 2.12 H new ATOM 121 N ASN A 10 3.235 1.332 7.967 1.00 0.22 N ATOM 122 CA ASN A 10 4.418 1.907 7.318 1.00 0.24 C ATOM 123 C ASN A 10 5.700 1.375 7.962 1.00 0.24 C ATOM 124 O ASN A 10 6.772 1.416 7.360 1.00 0.26 O ATOM 125 CB ASN A 10 4.368 3.443 7.420 1.00 0.31 C ATOM 126 CG ASN A 10 5.658 4.127 7.011 1.00 0.56 C ATOM 127 OD1 ASN A 10 5.759 4.493 5.744 1.00 1.41 O flip ATOM 128 ND2 ASN A 10 6.547 4.346 7.835 1.00 0.96 N flip ATOM 0 H ASN A 10 2.541 2.027 8.242 1.00 0.22 H new ATOM 0 HA ASN A 10 4.419 1.616 6.268 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.557 3.813 6.793 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.130 3.722 8.446 1.00 0.31 H new ATOM 0 HD21 ASN A 10 6.430 4.047 8.803 1.00 0.96 H new ATOM 0 HD22 ASN A 10 7.400 4.826 7.549 1.00 0.96 H new ATOM 135 N GLY A 11 5.568 0.858 9.178 1.00 0.25 N ATOM 136 CA GLY A 11 6.700 0.273 9.868 1.00 0.26 C ATOM 137 C GLY A 11 6.325 -1.037 10.527 1.00 0.25 C ATOM 138 O GLY A 11 6.614 -1.254 11.701 1.00 0.30 O ATOM 0 H GLY A 11 4.692 0.834 9.700 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.513 0.107 9.162 1.00 0.26 H new ATOM 0 HA3 GLY A 11 7.069 0.969 10.621 1.00 0.26 H new ATOM 142 N ALA A 12 5.672 -1.907 9.773 1.00 0.24 N ATOM 143 CA ALA A 12 5.129 -3.138 10.335 1.00 0.27 C ATOM 144 C ALA A 12 5.835 -4.389 9.817 1.00 0.28 C ATOM 145 O ALA A 12 6.408 -4.395 8.729 1.00 0.31 O ATOM 146 CB ALA A 12 3.655 -3.217 10.015 1.00 0.32 C ATOM 0 H ALA A 12 5.504 -1.786 8.774 1.00 0.24 H new ATOM 0 HA ALA A 12 5.291 -3.107 11.412 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.241 -4.135 10.432 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.142 -2.358 10.448 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.517 -3.215 8.934 1.00 0.32 H new ATOM 152 N THR A 13 5.778 -5.446 10.620 1.00 0.39 N ATOM 153 CA THR A 13 6.274 -6.764 10.240 1.00 0.44 C ATOM 154 C THR A 13 5.416 -7.837 10.920 1.00 0.56 C ATOM 155 O THR A 13 5.538 -8.067 12.120 1.00 0.95 O ATOM 156 CB THR A 13 7.754 -6.946 10.641 1.00 0.71 C ATOM 157 OG1 THR A 13 8.541 -5.878 10.093 1.00 0.89 O ATOM 158 CG2 THR A 13 8.294 -8.282 10.147 1.00 0.74 C ATOM 0 H THR A 13 5.383 -5.412 11.560 1.00 0.39 H new ATOM 0 HA THR A 13 6.208 -6.860 9.156 1.00 0.44 H new ATOM 0 HB THR A 13 7.817 -6.929 11.729 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.479 -5.997 10.351 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.338 -8.384 10.443 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.712 -9.094 10.584 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.219 -8.325 9.060 1.00 0.74 H new ATOM 166 N LEU A 14 4.534 -8.474 10.157 1.00 0.39 N ATOM 167 CA LEU A 14 3.539 -9.376 10.733 1.00 0.70 C ATOM 168 C LEU A 14 3.312 -10.597 9.852 1.00 0.35 C ATOM 169 O LEU A 14 3.737 -10.637 8.699 1.00 0.88 O ATOM 170 CB LEU A 14 2.185 -8.675 10.944 1.00 1.51 C ATOM 171 CG LEU A 14 2.218 -7.154 11.056 1.00 2.04 C ATOM 172 CD1 LEU A 14 2.279 -6.540 9.671 1.00 2.43 C ATOM 173 CD2 LEU A 14 1.007 -6.648 11.825 1.00 3.00 C ATOM 0 H LEU A 14 4.486 -8.384 9.142 1.00 0.39 H new ATOM 0 HA LEU A 14 3.940 -9.688 11.697 1.00 0.70 H new ATOM 0 HB2 LEU A 14 1.529 -8.942 10.115 1.00 1.51 H new ATOM 0 HB3 LEU A 14 1.731 -9.074 11.851 1.00 1.51 H new ATOM 0 HG LEU A 14 3.110 -6.856 11.608 1.00 2.04 H new ATOM 0 HD11 LEU A 14 2.302 -5.454 9.755 1.00 2.43 H new ATOM 0 HD12 LEU A 14 3.178 -6.884 9.160 1.00 2.43 H new ATOM 0 HD13 LEU A 14 1.400 -6.841 9.101 1.00 2.43 H new ATOM 0 HD21 LEU A 14 1.048 -5.561 11.894 1.00 3.00 H new ATOM 0 HD22 LEU A 14 0.096 -6.944 11.305 1.00 3.00 H new ATOM 0 HD23 LEU A 14 1.008 -7.076 12.827 1.00 3.00 H new ATOM 185 N THR A 15 2.621 -11.582 10.406 1.00 0.70 N ATOM 186 CA THR A 15 2.226 -12.766 9.662 1.00 0.74 C ATOM 187 C THR A 15 0.764 -12.662 9.263 1.00 0.82 C ATOM 188 O THR A 15 -0.063 -12.208 10.053 1.00 1.21 O ATOM 189 CB THR A 15 2.411 -14.041 10.497 1.00 1.40 C ATOM 190 OG1 THR A 15 3.804 -14.269 10.740 1.00 1.55 O ATOM 191 CG2 THR A 15 1.794 -15.233 9.783 1.00 1.73 C ATOM 0 H THR A 15 2.320 -11.582 11.381 1.00 0.70 H new ATOM 0 HA THR A 15 2.861 -12.825 8.778 1.00 0.74 H new ATOM 0 HB THR A 15 1.905 -13.913 11.454 1.00 1.40 H new ATOM 0 HG1 THR A 15 3.914 -15.083 11.275 1.00 1.55 H new ATOM 0 HG21 THR A 15 1.933 -16.130 10.386 1.00 1.73 H new ATOM 0 HG22 THR A 15 0.729 -15.057 9.634 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.278 -15.368 8.816 1.00 1.73 H new ATOM 199 N VAL A 16 0.446 -13.070 8.041 1.00 0.57 N ATOM 200 CA VAL A 16 -0.907 -12.914 7.532 1.00 0.64 C ATOM 201 C VAL A 16 -1.473 -14.222 6.997 1.00 0.59 C ATOM 202 O VAL A 16 -0.742 -15.185 6.759 1.00 0.59 O ATOM 203 CB VAL A 16 -0.948 -11.849 6.418 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.096 -10.660 6.823 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.489 -12.407 5.080 1.00 0.63 C ATOM 0 H VAL A 16 1.100 -13.507 7.391 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.524 -12.594 8.372 1.00 0.64 H new ATOM 0 HB VAL A 16 -1.982 -11.530 6.291 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.125 -9.907 6.036 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.483 -10.233 7.748 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.933 -10.985 6.977 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.534 -11.623 4.324 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.536 -12.768 5.168 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -1.140 -13.231 4.787 1.00 0.63 H new ATOM 215 N ALA A 17 -2.786 -14.251 6.849 1.00 0.63 N ATOM 216 CA ALA A 17 -3.470 -15.324 6.168 1.00 0.60 C ATOM 217 C ALA A 17 -4.162 -14.753 4.947 1.00 0.55 C ATOM 218 O ALA A 17 -4.985 -13.846 5.070 1.00 0.76 O ATOM 219 CB ALA A 17 -4.488 -15.960 7.094 1.00 0.75 C ATOM 0 H ALA A 17 -3.407 -13.523 7.202 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.755 -16.089 5.866 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.999 -16.769 6.572 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.981 -16.359 7.973 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -5.216 -15.210 7.404 1.00 0.75 H new ATOM 225 N VAL A 18 -3.823 -15.242 3.771 1.00 0.54 N ATOM 226 CA VAL A 18 -4.456 -14.750 2.563 1.00 0.50 C ATOM 227 C VAL A 18 -5.439 -15.793 2.054 1.00 0.49 C ATOM 228 O VAL A 18 -5.921 -16.621 2.824 1.00 0.59 O ATOM 229 CB VAL A 18 -3.425 -14.403 1.465 1.00 0.58 C ATOM 230 CG1 VAL A 18 -4.013 -13.405 0.473 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.157 -13.845 2.082 1.00 1.12 C ATOM 0 H VAL A 18 -3.123 -15.969 3.626 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.983 -13.828 2.807 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.176 -15.319 0.929 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -3.272 -13.173 -0.292 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -4.897 -13.837 0.003 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -4.291 -12.491 0.998 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.443 -13.607 1.294 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -2.393 -12.941 2.643 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -1.722 -14.586 2.753 1.00 1.12 H new ATOM 241 N GLY A 19 -5.740 -15.755 0.771 1.00 0.52 N ATOM 242 CA GLY A 19 -6.733 -16.650 0.227 1.00 0.55 C ATOM 243 C GLY A 19 -7.984 -15.899 -0.132 1.00 0.59 C ATOM 244 O GLY A 19 -8.517 -16.042 -1.231 1.00 0.71 O ATOM 0 H GLY A 19 -5.315 -15.120 0.095 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.335 -17.148 -0.657 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -6.966 -17.428 0.954 1.00 0.55 H new ATOM 248 N GLU A 20 -8.450 -15.093 0.808 1.00 0.57 N ATOM 249 CA GLU A 20 -9.544 -14.176 0.554 1.00 0.64 C ATOM 250 C GLU A 20 -9.008 -12.951 -0.172 1.00 0.50 C ATOM 251 O GLU A 20 -9.216 -12.779 -1.375 1.00 0.50 O ATOM 252 CB GLU A 20 -10.203 -13.759 1.873 1.00 0.76 C ATOM 253 CG GLU A 20 -10.689 -14.933 2.705 1.00 0.96 C ATOM 254 CD GLU A 20 -11.798 -15.704 2.019 1.00 1.55 C ATOM 255 OE1 GLU A 20 -12.975 -15.341 2.199 1.00 1.75 O ATOM 256 OE2 GLU A 20 -11.501 -16.680 1.301 1.00 2.35 O ATOM 0 H GLU A 20 -8.083 -15.057 1.759 1.00 0.57 H new ATOM 0 HA GLU A 20 -10.294 -14.669 -0.065 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.490 -13.179 2.459 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -11.046 -13.103 1.657 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -9.854 -15.604 2.906 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -11.045 -14.570 3.669 1.00 0.96 H new ATOM 263 N LEU A 21 -8.302 -12.117 0.571 1.00 0.45 N ATOM 264 CA LEU A 21 -7.661 -10.936 0.026 1.00 0.32 C ATOM 265 C LEU A 21 -6.680 -10.381 1.043 1.00 0.38 C ATOM 266 O LEU A 21 -6.916 -10.477 2.246 1.00 0.64 O ATOM 267 CB LEU A 21 -8.714 -9.878 -0.324 1.00 0.39 C ATOM 268 CG LEU A 21 -8.166 -8.520 -0.772 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.361 -8.659 -2.053 1.00 0.56 C ATOM 270 CD2 LEU A 21 -9.300 -7.528 -0.961 1.00 0.71 C ATOM 0 H LEU A 21 -8.157 -12.241 1.573 1.00 0.45 H new ATOM 0 HA LEU A 21 -7.124 -11.204 -0.884 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.349 -10.272 -1.117 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -9.351 -9.723 0.547 1.00 0.39 H new ATOM 0 HG LEU A 21 -7.503 -8.145 0.007 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -6.982 -7.682 -2.352 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.524 -9.337 -1.885 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -7.999 -9.058 -2.842 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -8.894 -6.568 -1.279 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -9.987 -7.901 -1.720 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -9.834 -7.402 -0.019 1.00 0.71 H new ATOM 282 N VAL A 22 -5.572 -9.836 0.577 1.00 0.27 N ATOM 283 CA VAL A 22 -4.668 -9.128 1.461 1.00 0.28 C ATOM 284 C VAL A 22 -4.476 -7.703 0.962 1.00 0.30 C ATOM 285 O VAL A 22 -3.906 -7.465 -0.098 1.00 0.37 O ATOM 286 CB VAL A 22 -3.318 -9.877 1.631 1.00 0.28 C ATOM 287 CG1 VAL A 22 -2.150 -8.912 1.807 1.00 0.40 C ATOM 288 CG2 VAL A 22 -3.404 -10.800 2.830 1.00 0.38 C ATOM 0 H VAL A 22 -5.279 -9.869 -0.399 1.00 0.27 H new ATOM 0 HA VAL A 22 -5.114 -9.087 2.455 1.00 0.28 H new ATOM 0 HB VAL A 22 -3.136 -10.453 0.724 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -1.225 -9.477 1.923 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -2.075 -8.268 0.931 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -2.314 -8.300 2.694 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -2.458 -11.327 2.952 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.611 -10.215 3.726 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -4.205 -11.523 2.676 1.00 0.38 H new ATOM 298 N GLU A 23 -4.985 -6.750 1.714 1.00 0.29 N ATOM 299 CA GLU A 23 -4.974 -5.383 1.257 1.00 0.36 C ATOM 300 C GLU A 23 -3.914 -4.580 1.980 1.00 0.27 C ATOM 301 O GLU A 23 -3.677 -4.755 3.173 1.00 0.37 O ATOM 302 CB GLU A 23 -6.361 -4.739 1.403 1.00 0.58 C ATOM 303 CG GLU A 23 -6.476 -3.680 2.490 1.00 0.96 C ATOM 304 CD GLU A 23 -7.759 -2.881 2.374 1.00 0.99 C ATOM 305 OE1 GLU A 23 -8.786 -3.314 2.928 1.00 1.09 O ATOM 306 OE2 GLU A 23 -7.747 -1.823 1.694 1.00 1.06 O ATOM 0 H GLU A 23 -5.405 -6.896 2.632 1.00 0.29 H new ATOM 0 HA GLU A 23 -4.723 -5.385 0.196 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -6.636 -4.288 0.449 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -7.089 -5.525 1.606 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -6.435 -4.159 3.468 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -5.622 -3.005 2.430 1.00 0.96 H new ATOM 313 N ILE A 24 -3.252 -3.736 1.227 1.00 0.25 N ATOM 314 CA ILE A 24 -2.314 -2.782 1.762 1.00 0.24 C ATOM 315 C ILE A 24 -2.833 -1.396 1.454 1.00 0.29 C ATOM 316 O ILE A 24 -2.699 -0.912 0.342 1.00 0.54 O ATOM 317 CB ILE A 24 -0.925 -2.956 1.119 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.439 -4.394 1.299 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.066 -1.970 1.715 1.00 0.32 C ATOM 320 CD1 ILE A 24 -0.302 -4.799 2.750 1.00 0.27 C ATOM 0 H ILE A 24 -3.351 -3.692 0.213 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.214 -2.936 2.836 1.00 0.24 H new ATOM 0 HB ILE A 24 -1.004 -2.750 0.052 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -1.135 -5.071 0.804 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.525 -4.510 0.804 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.042 -2.108 1.249 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.281 -0.952 1.536 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.149 -2.142 2.788 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.046 -5.830 2.809 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.416 -4.145 3.244 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -1.270 -4.714 3.244 1.00 0.27 H new ATOM 332 N GLN A 25 -3.422 -0.754 2.427 1.00 0.21 N ATOM 333 CA GLN A 25 -4.084 0.502 2.179 1.00 0.22 C ATOM 334 C GLN A 25 -3.282 1.652 2.710 1.00 0.20 C ATOM 335 O GLN A 25 -2.653 1.559 3.764 1.00 0.23 O ATOM 336 CB GLN A 25 -5.470 0.488 2.805 1.00 0.27 C ATOM 337 CG GLN A 25 -6.102 1.859 2.963 1.00 0.29 C ATOM 338 CD GLN A 25 -6.139 2.344 4.406 1.00 0.36 C ATOM 339 OE1 GLN A 25 -5.076 2.993 4.851 1.00 0.64 O flip ATOM 340 NE2 GLN A 25 -7.117 2.125 5.119 1.00 0.30 N flip ATOM 0 H GLN A 25 -3.458 -1.076 3.394 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.179 0.633 1.101 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -6.125 -0.132 2.193 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.408 0.015 3.785 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.548 2.578 2.360 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.119 1.830 2.571 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -7.920 1.621 4.743 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -7.125 2.447 6.087 1.00 0.30 H new ATOM 349 N LEU A 26 -3.302 2.745 1.981 1.00 0.19 N ATOM 350 CA LEU A 26 -2.707 3.945 2.468 1.00 0.18 C ATOM 351 C LEU A 26 -3.670 5.105 2.376 1.00 0.22 C ATOM 352 O LEU A 26 -4.403 5.252 1.410 1.00 0.31 O ATOM 353 CB LEU A 26 -1.392 4.212 1.769 1.00 0.22 C ATOM 354 CG LEU A 26 -0.253 3.411 2.379 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.734 2.989 1.321 1.00 0.77 C ATOM 356 CD2 LEU A 26 0.431 4.206 3.473 1.00 0.85 C ATOM 0 H LEU A 26 -3.724 2.817 1.055 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.479 3.820 3.527 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.486 3.963 0.712 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.160 5.275 1.827 1.00 0.22 H new ATOM 0 HG LEU A 26 -0.671 2.508 2.825 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.540 2.417 1.782 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.229 2.371 0.578 1.00 0.77 H new ATOM 0 HD13 LEU A 26 1.148 3.873 0.836 1.00 0.77 H new ATOM 0 HD21 LEU A 26 1.243 3.616 3.898 1.00 0.85 H new ATOM 0 HD22 LEU A 26 0.833 5.129 3.055 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.290 4.445 4.254 1.00 0.85 H new ATOM 368 N PRO A 27 -3.697 5.929 3.414 1.00 0.21 N ATOM 369 CA PRO A 27 -4.643 7.034 3.528 1.00 0.25 C ATOM 370 C PRO A 27 -4.226 8.229 2.694 1.00 0.26 C ATOM 371 O PRO A 27 -4.813 9.296 2.809 1.00 0.35 O ATOM 372 CB PRO A 27 -4.568 7.385 5.009 1.00 0.27 C ATOM 373 CG PRO A 27 -3.163 7.068 5.376 1.00 0.25 C ATOM 374 CD PRO A 27 -2.789 5.861 4.569 1.00 0.22 C ATOM 0 HA PRO A 27 -5.639 6.766 3.176 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -4.800 8.436 5.184 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.277 6.800 5.595 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.503 7.906 5.154 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.074 6.867 6.444 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.744 5.892 4.261 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -2.928 4.940 5.135 1.00 0.22 H new ATOM 382 N SER A 28 -3.200 8.036 1.870 1.00 0.22 N ATOM 383 CA SER A 28 -2.601 9.107 1.083 1.00 0.25 C ATOM 384 C SER A 28 -1.865 10.076 1.992 1.00 0.25 C ATOM 385 O SER A 28 -0.650 10.257 1.874 1.00 0.31 O ATOM 386 CB SER A 28 -3.658 9.855 0.253 1.00 0.35 C ATOM 387 OG SER A 28 -3.055 10.730 -0.684 1.00 0.91 O ATOM 0 H SER A 28 -2.759 7.127 1.729 1.00 0.22 H new ATOM 0 HA SER A 28 -1.891 8.656 0.390 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.287 9.136 -0.271 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.309 10.423 0.917 1.00 0.35 H new ATOM 0 HG SER A 28 -2.858 10.240 -1.509 1.00 0.91 H new ATOM 393 N ASN A 29 -2.599 10.632 2.934 1.00 0.29 N ATOM 394 CA ASN A 29 -2.117 11.701 3.792 1.00 0.36 C ATOM 395 C ASN A 29 -1.563 12.806 2.903 1.00 0.42 C ATOM 396 O ASN A 29 -0.366 13.106 2.942 1.00 0.48 O ATOM 397 CB ASN A 29 -1.011 11.234 4.744 1.00 0.42 C ATOM 398 CG ASN A 29 -1.157 9.810 5.236 1.00 0.60 C ATOM 399 OD1 ASN A 29 -1.871 9.548 6.199 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.429 8.889 4.612 1.00 0.39 N ATOM 0 H ASN A 29 -3.560 10.352 3.130 1.00 0.29 H new ATOM 0 HA ASN A 29 -2.950 12.049 4.403 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.050 11.332 4.238 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -0.987 11.901 5.606 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.450 7.920 4.930 1.00 0.39 H new ATOM 0 HD22 ASN A 29 0.151 9.151 3.815 1.00 0.39 H new ATOM 407 N PRO A 30 -2.446 13.407 2.092 1.00 0.55 N ATOM 408 CA PRO A 30 -2.073 14.272 0.961 1.00 0.66 C ATOM 409 C PRO A 30 -0.983 15.277 1.272 1.00 0.72 C ATOM 410 O PRO A 30 -1.076 16.064 2.219 1.00 0.82 O ATOM 411 CB PRO A 30 -3.387 14.961 0.634 1.00 0.83 C ATOM 412 CG PRO A 30 -4.386 13.915 0.947 1.00 0.82 C ATOM 413 CD PRO A 30 -3.907 13.313 2.226 1.00 0.75 C ATOM 0 HA PRO A 30 -1.641 13.699 0.140 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -3.536 15.857 1.236 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -3.435 15.268 -0.411 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.384 14.339 1.057 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.442 13.170 0.154 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.271 13.862 3.095 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.239 12.281 2.339 1.00 0.75 H new ATOM 421 N THR A 31 0.053 15.234 0.456 1.00 0.73 N ATOM 422 CA THR A 31 1.214 16.068 0.644 1.00 0.84 C ATOM 423 C THR A 31 1.975 16.231 -0.676 1.00 1.10 C ATOM 424 O THR A 31 2.758 15.366 -1.072 1.00 1.83 O ATOM 425 CB THR A 31 2.120 15.481 1.760 1.00 0.96 C ATOM 426 OG1 THR A 31 3.344 16.219 1.871 1.00 1.60 O ATOM 427 CG2 THR A 31 2.419 14.003 1.521 1.00 0.81 C ATOM 0 H THR A 31 0.109 14.618 -0.355 1.00 0.73 H new ATOM 0 HA THR A 31 0.893 17.060 0.963 1.00 0.84 H new ATOM 0 HB THR A 31 1.572 15.569 2.698 1.00 0.96 H new ATOM 0 HG1 THR A 31 3.897 15.831 2.581 1.00 1.60 H new ATOM 0 HG21 THR A 31 3.055 13.626 2.322 1.00 0.81 H new ATOM 0 HG22 THR A 31 1.485 13.441 1.505 1.00 0.81 H new ATOM 0 HG23 THR A 31 2.930 13.885 0.566 1.00 0.81 H new ATOM 435 N THR A 32 1.706 17.343 -1.368 1.00 1.19 N ATOM 436 CA THR A 32 2.365 17.649 -2.635 1.00 1.43 C ATOM 437 C THR A 32 1.818 16.736 -3.751 1.00 1.47 C ATOM 438 O THR A 32 0.976 15.881 -3.485 1.00 2.05 O ATOM 439 CB THR A 32 3.906 17.517 -2.481 1.00 1.62 C ATOM 440 OG1 THR A 32 4.321 18.227 -1.303 1.00 2.36 O ATOM 441 CG2 THR A 32 4.667 18.074 -3.678 1.00 1.32 C ATOM 0 H THR A 32 1.032 18.047 -1.067 1.00 1.19 H new ATOM 0 HA THR A 32 2.149 18.679 -2.917 1.00 1.43 H new ATOM 0 HB THR A 32 4.135 16.454 -2.408 1.00 1.62 H new ATOM 0 HG1 THR A 32 5.292 18.147 -1.198 1.00 2.36 H new ATOM 0 HG21 THR A 32 5.738 17.955 -3.515 1.00 1.32 H new ATOM 0 HG22 THR A 32 4.374 17.534 -4.578 1.00 1.32 H new ATOM 0 HG23 THR A 32 4.433 19.132 -3.797 1.00 1.32 H new ATOM 449 N GLY A 33 2.263 16.939 -4.995 1.00 1.30 N ATOM 450 CA GLY A 33 1.824 16.100 -6.112 1.00 1.26 C ATOM 451 C GLY A 33 2.137 14.619 -5.933 1.00 1.01 C ATOM 452 O GLY A 33 1.729 13.795 -6.754 1.00 1.27 O ATOM 0 H GLY A 33 2.923 17.673 -5.252 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.749 16.221 -6.243 1.00 1.26 H new ATOM 0 HA3 GLY A 33 2.299 16.453 -7.027 1.00 1.26 H new ATOM 456 N PHE A 34 2.910 14.294 -4.903 1.00 0.86 N ATOM 457 CA PHE A 34 3.228 12.913 -4.573 1.00 0.88 C ATOM 458 C PHE A 34 1.963 12.067 -4.386 1.00 0.79 C ATOM 459 O PHE A 34 0.898 12.586 -4.057 1.00 1.11 O ATOM 460 CB PHE A 34 4.056 12.843 -3.291 1.00 1.25 C ATOM 461 CG PHE A 34 5.227 13.782 -3.212 1.00 1.50 C ATOM 462 CD1 PHE A 34 5.932 14.149 -4.343 1.00 1.69 C ATOM 463 CD2 PHE A 34 5.623 14.292 -1.987 1.00 1.95 C ATOM 464 CE1 PHE A 34 7.007 15.007 -4.256 1.00 1.94 C ATOM 465 CE2 PHE A 34 6.698 15.150 -1.894 1.00 2.22 C ATOM 466 CZ PHE A 34 7.392 15.508 -3.029 1.00 2.08 C ATOM 0 H PHE A 34 3.332 14.979 -4.276 1.00 0.86 H new ATOM 0 HA PHE A 34 3.800 12.512 -5.410 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.398 13.042 -2.445 1.00 1.25 H new ATOM 0 HB3 PHE A 34 4.424 11.824 -3.175 1.00 1.25 H new ATOM 0 HD1 PHE A 34 5.637 13.759 -5.306 1.00 1.69 H new ATOM 0 HD2 PHE A 34 5.083 14.014 -1.094 1.00 1.95 H new ATOM 0 HE1 PHE A 34 7.548 15.287 -5.148 1.00 1.94 H new ATOM 0 HE2 PHE A 34 6.996 15.541 -0.932 1.00 2.22 H new ATOM 0 HZ PHE A 34 8.235 16.179 -2.959 1.00 2.08 H new ATOM 476 N ALA A 35 2.098 10.763 -4.601 1.00 0.44 N ATOM 477 CA ALA A 35 1.017 9.811 -4.373 1.00 0.37 C ATOM 478 C ALA A 35 1.605 8.429 -4.097 1.00 0.30 C ATOM 479 O ALA A 35 2.724 8.144 -4.536 1.00 0.30 O ATOM 480 CB ALA A 35 0.098 9.752 -5.584 1.00 0.44 C ATOM 0 H ALA A 35 2.961 10.336 -4.939 1.00 0.44 H new ATOM 0 HA ALA A 35 0.434 10.136 -3.511 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -0.703 9.037 -5.398 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.330 10.738 -5.764 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.668 9.438 -6.458 1.00 0.44 H new ATOM 486 N TRP A 36 0.867 7.581 -3.371 1.00 0.26 N ATOM 487 CA TRP A 36 1.374 6.256 -3.008 1.00 0.21 C ATOM 488 C TRP A 36 1.306 5.302 -4.196 1.00 0.27 C ATOM 489 O TRP A 36 0.225 4.936 -4.650 1.00 0.43 O ATOM 490 CB TRP A 36 0.613 5.621 -1.822 1.00 0.20 C ATOM 491 CG TRP A 36 0.708 6.351 -0.520 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.225 7.167 0.055 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.797 6.291 0.395 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.232 7.624 1.266 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.470 7.099 1.497 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.022 5.635 0.379 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.326 7.259 2.581 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.872 5.794 1.449 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.523 6.599 2.540 1.00 0.14 C ATOM 0 H TRP A 36 -0.071 7.786 -3.028 1.00 0.26 H new ATOM 0 HA TRP A 36 2.409 6.410 -2.704 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.439 5.537 -2.094 1.00 0.20 H new ATOM 0 HB3 TRP A 36 0.987 4.607 -1.676 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.182 7.416 -0.380 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.272 8.253 1.891 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.302 5.012 -0.458 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 2.056 7.880 3.422 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.826 5.288 1.447 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.212 6.701 3.365 1.00 0.14 H new ATOM 510 N TYR A 37 2.470 4.930 -4.711 1.00 0.27 N ATOM 511 CA TYR A 37 2.577 3.876 -5.706 1.00 0.34 C ATOM 512 C TYR A 37 3.917 3.164 -5.554 1.00 0.39 C ATOM 513 O TYR A 37 4.904 3.787 -5.191 1.00 0.78 O ATOM 514 CB TYR A 37 2.374 4.419 -7.125 1.00 0.53 C ATOM 515 CG TYR A 37 3.139 5.677 -7.417 1.00 0.61 C ATOM 516 CD1 TYR A 37 4.494 5.616 -7.639 1.00 1.42 C ATOM 517 CD2 TYR A 37 2.516 6.923 -7.477 1.00 0.90 C ATOM 518 CE1 TYR A 37 5.217 6.741 -7.909 1.00 2.10 C ATOM 519 CE2 TYR A 37 3.243 8.058 -7.751 1.00 1.47 C ATOM 520 CZ TYR A 37 4.595 7.953 -7.966 1.00 2.04 C ATOM 521 OH TYR A 37 5.336 9.066 -8.235 1.00 2.78 O ATOM 0 H TYR A 37 3.363 5.350 -4.451 1.00 0.27 H new ATOM 0 HA TYR A 37 1.781 3.151 -5.539 1.00 0.34 H new ATOM 0 HB2 TYR A 37 2.670 3.652 -7.841 1.00 0.53 H new ATOM 0 HB3 TYR A 37 1.312 4.608 -7.281 1.00 0.53 H new ATOM 0 HD1 TYR A 37 4.995 4.660 -7.599 1.00 1.42 H new ATOM 0 HD2 TYR A 37 1.452 6.998 -7.307 1.00 0.90 H new ATOM 0 HE1 TYR A 37 6.282 6.672 -8.078 1.00 2.10 H new ATOM 0 HE2 TYR A 37 2.756 9.021 -7.797 1.00 1.47 H new ATOM 0 HH TYR A 37 5.958 8.876 -8.968 1.00 2.78 H new ATOM 531 N PHE A 38 3.930 1.860 -5.827 1.00 0.26 N ATOM 532 CA PHE A 38 5.068 0.991 -5.511 1.00 0.25 C ATOM 533 C PHE A 38 6.421 1.585 -5.881 1.00 0.32 C ATOM 534 O PHE A 38 7.151 2.044 -5.013 1.00 0.38 O ATOM 535 CB PHE A 38 4.933 -0.337 -6.221 1.00 0.27 C ATOM 536 CG PHE A 38 4.452 -1.467 -5.355 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.309 -2.087 -4.462 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.140 -1.907 -5.431 1.00 0.33 C ATOM 539 CE1 PHE A 38 4.872 -3.124 -3.662 1.00 0.41 C ATOM 540 CE2 PHE A 38 2.696 -2.945 -4.635 1.00 0.41 C ATOM 541 CZ PHE A 38 3.565 -3.559 -3.756 1.00 0.43 C ATOM 0 H PHE A 38 3.153 1.374 -6.274 1.00 0.26 H new ATOM 0 HA PHE A 38 5.041 0.869 -4.428 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.243 -0.218 -7.056 1.00 0.27 H new ATOM 0 HB3 PHE A 38 5.901 -0.608 -6.643 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.334 -1.755 -4.390 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.457 -1.433 -6.120 1.00 0.33 H new ATOM 0 HE1 PHE A 38 5.550 -3.593 -2.965 1.00 0.41 H new ATOM 0 HE2 PHE A 38 1.670 -3.276 -4.700 1.00 0.41 H new ATOM 0 HZ PHE A 38 3.223 -4.379 -3.142 1.00 0.43 H new ATOM 551 N GLU A 39 6.776 1.539 -7.157 1.00 0.40 N ATOM 552 CA GLU A 39 8.082 2.032 -7.575 1.00 0.51 C ATOM 553 C GLU A 39 7.957 3.198 -8.546 1.00 0.51 C ATOM 554 O GLU A 39 8.940 3.874 -8.846 1.00 0.61 O ATOM 555 CB GLU A 39 8.934 0.903 -8.173 1.00 0.61 C ATOM 556 CG GLU A 39 8.277 0.164 -9.330 1.00 1.11 C ATOM 557 CD GLU A 39 9.203 -0.845 -9.980 1.00 1.75 C ATOM 558 OE1 GLU A 39 10.143 -0.425 -10.686 1.00 2.39 O ATOM 559 OE2 GLU A 39 9.005 -2.065 -9.783 1.00 2.19 O ATOM 0 H GLU A 39 6.192 1.173 -7.909 1.00 0.40 H new ATOM 0 HA GLU A 39 8.591 2.402 -6.685 1.00 0.51 H new ATOM 0 HB2 GLU A 39 9.880 1.321 -8.516 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.169 0.186 -7.386 1.00 0.61 H new ATOM 0 HG2 GLU A 39 7.385 -0.347 -8.969 1.00 1.11 H new ATOM 0 HG3 GLU A 39 7.950 0.886 -10.078 1.00 1.11 H new ATOM 566 N GLY A 40 6.749 3.443 -9.026 1.00 0.51 N ATOM 567 CA GLY A 40 6.532 4.588 -9.893 1.00 0.55 C ATOM 568 C GLY A 40 5.617 4.285 -11.053 1.00 0.56 C ATOM 569 O GLY A 40 6.073 3.845 -12.108 1.00 0.73 O ATOM 0 H GLY A 40 5.921 2.879 -8.836 1.00 0.51 H new ATOM 0 HA2 GLY A 40 6.109 5.405 -9.308 1.00 0.55 H new ATOM 0 HA3 GLY A 40 7.492 4.934 -10.276 1.00 0.55 H new ATOM 573 N GLY A 41 4.324 4.535 -10.859 1.00 0.55 N ATOM 574 CA GLY A 41 3.344 4.223 -11.883 1.00 0.70 C ATOM 575 C GLY A 41 3.209 2.727 -12.099 1.00 0.61 C ATOM 576 O GLY A 41 2.647 2.278 -13.098 1.00 0.70 O ATOM 0 H GLY A 41 3.939 4.948 -10.010 1.00 0.55 H new ATOM 0 HA2 GLY A 41 2.377 4.638 -11.598 1.00 0.70 H new ATOM 0 HA3 GLY A 41 3.633 4.701 -12.819 1.00 0.70 H new ATOM 580 N THR A 42 3.726 1.966 -11.148 1.00 0.53 N ATOM 581 CA THR A 42 3.744 0.516 -11.231 1.00 0.51 C ATOM 582 C THR A 42 3.406 -0.116 -9.909 1.00 0.43 C ATOM 583 O THR A 42 3.748 0.414 -8.849 1.00 0.44 O ATOM 584 CB THR A 42 5.108 -0.025 -11.646 1.00 0.67 C ATOM 585 OG1 THR A 42 6.128 0.932 -11.328 1.00 1.13 O ATOM 586 CG2 THR A 42 5.142 -0.366 -13.125 1.00 0.92 C ATOM 0 H THR A 42 4.145 2.338 -10.296 1.00 0.53 H new ATOM 0 HA THR A 42 2.998 0.263 -11.985 1.00 0.51 H new ATOM 0 HB THR A 42 5.294 -0.945 -11.092 1.00 0.67 H new ATOM 0 HG1 THR A 42 6.866 0.848 -11.967 1.00 1.13 H new ATOM 0 HG21 THR A 42 6.128 -0.749 -13.388 1.00 0.92 H new ATOM 0 HG22 THR A 42 4.389 -1.124 -13.341 1.00 0.92 H new ATOM 0 HG23 THR A 42 4.933 0.530 -13.710 1.00 0.92 H new ATOM 594 N LYS A 43 2.703 -1.226 -9.974 1.00 0.49 N ATOM 595 CA LYS A 43 2.464 -2.031 -8.805 1.00 0.46 C ATOM 596 C LYS A 43 2.557 -3.520 -9.129 1.00 0.55 C ATOM 597 O LYS A 43 2.007 -3.996 -10.122 1.00 0.75 O ATOM 598 CB LYS A 43 1.125 -1.668 -8.171 1.00 0.58 C ATOM 599 CG LYS A 43 -0.017 -1.415 -9.154 1.00 1.15 C ATOM 600 CD LYS A 43 -0.576 -2.703 -9.745 1.00 1.41 C ATOM 601 CE LYS A 43 -1.577 -2.422 -10.857 1.00 1.96 C ATOM 602 NZ LYS A 43 -2.095 -3.671 -11.474 1.00 2.52 N ATOM 0 H LYS A 43 2.287 -1.590 -10.831 1.00 0.49 H new ATOM 0 HA LYS A 43 3.245 -1.817 -8.075 1.00 0.46 H new ATOM 0 HB2 LYS A 43 0.831 -2.473 -7.498 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.261 -0.775 -7.561 1.00 0.58 H new ATOM 0 HG2 LYS A 43 -0.816 -0.876 -8.646 1.00 1.15 H new ATOM 0 HG3 LYS A 43 0.338 -0.773 -9.960 1.00 1.15 H new ATOM 0 HD2 LYS A 43 0.241 -3.309 -10.135 1.00 1.41 H new ATOM 0 HD3 LYS A 43 -1.058 -3.285 -8.960 1.00 1.41 H new ATOM 0 HE2 LYS A 43 -2.410 -1.844 -10.456 1.00 1.96 H new ATOM 0 HE3 LYS A 43 -1.103 -1.809 -11.624 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -2.923 -3.450 -12.063 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -1.354 -4.099 -12.065 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -2.371 -4.339 -10.726 1.00 2.52 H new ATOM 616 N GLU A 44 3.306 -4.238 -8.313 1.00 0.48 N ATOM 617 CA GLU A 44 3.432 -5.677 -8.454 1.00 0.60 C ATOM 618 C GLU A 44 3.459 -6.343 -7.083 1.00 0.49 C ATOM 619 O GLU A 44 3.724 -5.692 -6.074 1.00 0.54 O ATOM 620 CB GLU A 44 4.694 -6.027 -9.243 1.00 0.83 C ATOM 621 CG GLU A 44 5.944 -5.344 -8.721 1.00 0.92 C ATOM 622 CD GLU A 44 7.169 -5.686 -9.534 1.00 1.48 C ATOM 623 OE1 GLU A 44 7.090 -5.645 -10.779 1.00 2.30 O ATOM 624 OE2 GLU A 44 8.220 -5.987 -8.935 1.00 1.80 O ATOM 0 H GLU A 44 3.841 -3.844 -7.539 1.00 0.48 H new ATOM 0 HA GLU A 44 2.567 -6.049 -9.003 1.00 0.60 H new ATOM 0 HB2 GLU A 44 4.842 -7.107 -9.216 1.00 0.83 H new ATOM 0 HB3 GLU A 44 4.548 -5.751 -10.287 1.00 0.83 H new ATOM 0 HG2 GLU A 44 5.795 -4.264 -8.730 1.00 0.92 H new ATOM 0 HG3 GLU A 44 6.107 -5.635 -7.683 1.00 0.92 H new ATOM 631 N SER A 45 3.171 -7.632 -7.055 1.00 0.61 N ATOM 632 CA SER A 45 3.193 -8.399 -5.820 1.00 0.55 C ATOM 633 C SER A 45 4.451 -9.257 -5.807 1.00 0.80 C ATOM 634 O SER A 45 4.777 -9.871 -6.815 1.00 1.15 O ATOM 635 CB SER A 45 1.948 -9.293 -5.726 1.00 0.83 C ATOM 636 OG SER A 45 1.815 -9.870 -4.434 1.00 1.61 O ATOM 0 H SER A 45 2.917 -8.174 -7.881 1.00 0.61 H new ATOM 0 HA SER A 45 3.193 -7.722 -4.966 1.00 0.55 H new ATOM 0 HB2 SER A 45 1.059 -8.705 -5.956 1.00 0.83 H new ATOM 0 HB3 SER A 45 2.010 -10.084 -6.474 1.00 0.83 H new ATOM 0 HG SER A 45 1.922 -9.174 -3.752 1.00 1.61 H new ATOM 642 N PRO A 46 5.175 -9.301 -4.680 1.00 0.85 N ATOM 643 CA PRO A 46 6.411 -10.092 -4.539 1.00 1.17 C ATOM 644 C PRO A 46 6.166 -11.609 -4.556 1.00 1.12 C ATOM 645 O PRO A 46 6.763 -12.354 -3.776 1.00 1.88 O ATOM 646 CB PRO A 46 6.961 -9.658 -3.174 1.00 1.50 C ATOM 647 CG PRO A 46 6.213 -8.421 -2.817 1.00 1.39 C ATOM 648 CD PRO A 46 4.867 -8.562 -3.461 1.00 0.92 C ATOM 0 HA PRO A 46 7.091 -9.914 -5.372 1.00 1.17 H new ATOM 0 HB2 PRO A 46 6.812 -10.436 -2.426 1.00 1.50 H new ATOM 0 HB3 PRO A 46 8.033 -9.467 -3.226 1.00 1.50 H new ATOM 0 HG2 PRO A 46 6.121 -8.317 -1.736 1.00 1.39 H new ATOM 0 HG3 PRO A 46 6.730 -7.532 -3.180 1.00 1.39 H new ATOM 0 HD2 PRO A 46 4.167 -9.103 -2.824 1.00 0.92 H new ATOM 0 HD3 PRO A 46 4.417 -7.593 -3.677 1.00 0.92 H new ATOM 656 N ASN A 47 5.283 -12.035 -5.450 1.00 1.01 N ATOM 657 CA ASN A 47 4.938 -13.440 -5.653 1.00 1.08 C ATOM 658 C ASN A 47 3.846 -13.504 -6.714 1.00 0.97 C ATOM 659 O ASN A 47 2.879 -14.260 -6.601 1.00 1.25 O ATOM 660 CB ASN A 47 4.442 -14.100 -4.357 1.00 1.23 C ATOM 661 CG ASN A 47 4.585 -15.617 -4.368 1.00 1.53 C ATOM 662 OD1 ASN A 47 4.569 -16.256 -5.422 1.00 2.43 O ATOM 663 ND2 ASN A 47 4.709 -16.201 -3.186 1.00 1.23 N ATOM 0 H ASN A 47 4.775 -11.402 -6.068 1.00 1.01 H new ATOM 0 HA ASN A 47 5.828 -13.983 -5.970 1.00 1.08 H new ATOM 0 HB2 ASN A 47 5.000 -13.694 -3.513 1.00 1.23 H new ATOM 0 HB3 ASN A 47 3.395 -13.841 -4.202 1.00 1.23 H new ATOM 0 HD21 ASN A 47 4.796 -17.215 -3.125 1.00 1.23 H new ATOM 0 HD22 ASN A 47 4.718 -15.636 -2.337 1.00 1.23 H new ATOM 670 N GLU A 48 4.000 -12.682 -7.747 1.00 0.86 N ATOM 671 CA GLU A 48 2.989 -12.525 -8.776 1.00 0.93 C ATOM 672 C GLU A 48 3.049 -13.658 -9.808 1.00 0.93 C ATOM 673 O GLU A 48 2.965 -13.432 -11.015 1.00 1.53 O ATOM 674 CB GLU A 48 3.159 -11.153 -9.445 1.00 1.24 C ATOM 675 CG GLU A 48 4.398 -11.007 -10.334 1.00 1.89 C ATOM 676 CD GLU A 48 5.686 -10.788 -9.562 1.00 2.65 C ATOM 677 OE1 GLU A 48 6.238 -11.768 -9.015 1.00 2.99 O ATOM 678 OE2 GLU A 48 6.169 -9.638 -9.523 1.00 3.26 O ATOM 0 H GLU A 48 4.831 -12.108 -7.891 1.00 0.86 H new ATOM 0 HA GLU A 48 2.004 -12.579 -8.312 1.00 0.93 H new ATOM 0 HB2 GLU A 48 2.274 -10.949 -10.047 1.00 1.24 H new ATOM 0 HB3 GLU A 48 3.198 -10.390 -8.667 1.00 1.24 H new ATOM 0 HG2 GLU A 48 4.501 -11.902 -10.947 1.00 1.89 H new ATOM 0 HG3 GLU A 48 4.248 -10.170 -11.016 1.00 1.89 H new ATOM 685 N SER A 49 3.174 -14.885 -9.326 1.00 0.94 N ATOM 686 CA SER A 49 3.267 -16.041 -10.204 1.00 1.13 C ATOM 687 C SER A 49 1.905 -16.383 -10.805 1.00 1.05 C ATOM 688 O SER A 49 1.797 -16.706 -11.986 1.00 1.48 O ATOM 689 CB SER A 49 3.821 -17.235 -9.429 1.00 1.39 C ATOM 690 OG SER A 49 5.104 -16.946 -8.895 1.00 2.06 O ATOM 0 H SER A 49 3.213 -15.106 -8.331 1.00 0.94 H new ATOM 0 HA SER A 49 3.944 -15.800 -11.023 1.00 1.13 H new ATOM 0 HB2 SER A 49 3.138 -17.497 -8.621 1.00 1.39 H new ATOM 0 HB3 SER A 49 3.884 -18.102 -10.087 1.00 1.39 H new ATOM 0 HG SER A 49 5.436 -17.725 -8.402 1.00 2.06 H new ATOM 696 N MET A 50 0.868 -16.299 -9.986 1.00 0.77 N ATOM 697 CA MET A 50 -0.481 -16.647 -10.416 1.00 0.69 C ATOM 698 C MET A 50 -1.479 -15.599 -9.952 1.00 0.60 C ATOM 699 O MET A 50 -2.573 -15.468 -10.503 1.00 0.66 O ATOM 700 CB MET A 50 -0.875 -18.016 -9.867 1.00 0.68 C ATOM 701 CG MET A 50 -1.032 -18.085 -8.345 1.00 0.66 C ATOM 702 SD MET A 50 0.432 -17.550 -7.437 1.00 1.25 S ATOM 703 CE MET A 50 -0.184 -17.623 -5.759 1.00 1.10 C ATOM 0 H MET A 50 0.934 -15.992 -9.016 1.00 0.77 H new ATOM 0 HA MET A 50 -0.493 -16.683 -11.505 1.00 0.69 H new ATOM 0 HB2 MET A 50 -1.816 -18.318 -10.328 1.00 0.68 H new ATOM 0 HB3 MET A 50 -0.122 -18.743 -10.172 1.00 0.68 H new ATOM 0 HG2 MET A 50 -1.879 -17.466 -8.048 1.00 0.66 H new ATOM 0 HG3 MET A 50 -1.271 -19.110 -8.060 1.00 0.66 H new ATOM 0 HE1 MET A 50 0.482 -17.063 -5.102 1.00 1.10 H new ATOM 0 HE2 MET A 50 -1.183 -17.188 -5.719 1.00 1.10 H new ATOM 0 HE3 MET A 50 -0.227 -18.662 -5.432 1.00 1.10 H new ATOM 713 N PHE A 51 -1.084 -14.858 -8.932 1.00 0.52 N ATOM 714 CA PHE A 51 -1.946 -13.880 -8.299 1.00 0.44 C ATOM 715 C PHE A 51 -1.267 -12.509 -8.314 1.00 0.51 C ATOM 716 O PHE A 51 -0.055 -12.427 -8.503 1.00 0.74 O ATOM 717 CB PHE A 51 -2.288 -14.361 -6.886 1.00 0.37 C ATOM 718 CG PHE A 51 -3.569 -15.160 -6.811 1.00 0.38 C ATOM 719 CD1 PHE A 51 -3.773 -16.250 -7.643 1.00 0.60 C ATOM 720 CD2 PHE A 51 -4.560 -14.831 -5.902 1.00 0.40 C ATOM 721 CE1 PHE A 51 -4.934 -16.994 -7.570 1.00 0.73 C ATOM 722 CE2 PHE A 51 -5.724 -15.571 -5.825 1.00 0.49 C ATOM 723 CZ PHE A 51 -5.942 -16.605 -6.688 1.00 0.61 C ATOM 0 H PHE A 51 -0.153 -14.919 -8.519 1.00 0.52 H new ATOM 0 HA PHE A 51 -2.883 -13.773 -8.846 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -1.467 -14.971 -6.511 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -2.370 -13.497 -6.227 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.012 -16.522 -8.360 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -4.421 -13.985 -5.245 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.060 -17.869 -8.190 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -6.465 -15.330 -5.078 1.00 0.49 H new ATOM 0 HZ PHE A 51 -6.891 -17.120 -6.688 1.00 0.61 H new ATOM 733 N THR A 52 -2.030 -11.442 -8.109 1.00 0.47 N ATOM 734 CA THR A 52 -1.578 -10.112 -8.505 1.00 0.61 C ATOM 735 C THR A 52 -2.197 -8.995 -7.652 1.00 0.49 C ATOM 736 O THR A 52 -3.099 -9.232 -6.846 1.00 0.75 O ATOM 737 CB THR A 52 -1.891 -9.874 -10.001 1.00 1.10 C ATOM 738 OG1 THR A 52 -1.313 -8.642 -10.452 1.00 1.41 O ATOM 739 CG2 THR A 52 -3.394 -9.857 -10.245 1.00 1.46 C ATOM 0 H THR A 52 -2.953 -11.469 -7.676 1.00 0.47 H new ATOM 0 HA THR A 52 -0.501 -10.077 -8.340 1.00 0.61 H new ATOM 0 HB THR A 52 -1.453 -10.697 -10.566 1.00 1.10 H new ATOM 0 HG1 THR A 52 -1.521 -8.511 -11.401 1.00 1.41 H new ATOM 0 HG21 THR A 52 -3.589 -9.688 -11.304 1.00 1.46 H new ATOM 0 HG22 THR A 52 -3.822 -10.814 -9.945 1.00 1.46 H new ATOM 0 HG23 THR A 52 -3.848 -9.057 -9.660 1.00 1.46 H new ATOM 747 N VAL A 53 -1.678 -7.777 -7.833 1.00 0.46 N ATOM 748 CA VAL A 53 -2.090 -6.613 -7.056 1.00 0.44 C ATOM 749 C VAL A 53 -3.080 -5.754 -7.834 1.00 0.49 C ATOM 750 O VAL A 53 -2.796 -5.299 -8.946 1.00 0.76 O ATOM 751 CB VAL A 53 -0.884 -5.713 -6.716 1.00 0.67 C ATOM 752 CG1 VAL A 53 -1.302 -4.543 -5.836 1.00 1.00 C ATOM 753 CG2 VAL A 53 0.220 -6.511 -6.060 1.00 1.31 C ATOM 0 H VAL A 53 -0.958 -7.574 -8.526 1.00 0.46 H new ATOM 0 HA VAL A 53 -2.549 -6.999 -6.146 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.499 -5.308 -7.652 1.00 0.67 H new ATOM 0 HG11 VAL A 53 -0.431 -3.926 -5.613 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -2.047 -3.943 -6.358 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -1.727 -4.921 -4.906 1.00 1.00 H new ATOM 0 HG21 VAL A 53 1.058 -5.853 -5.831 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -0.153 -6.958 -5.139 1.00 1.31 H new ATOM 0 HG23 VAL A 53 0.552 -7.298 -6.737 1.00 1.31 H new ATOM 763 N GLU A 54 -4.230 -5.534 -7.230 1.00 0.45 N ATOM 764 CA GLU A 54 -5.257 -4.666 -7.770 1.00 0.52 C ATOM 765 C GLU A 54 -5.262 -3.359 -6.976 1.00 0.46 C ATOM 766 O GLU A 54 -5.502 -3.354 -5.770 1.00 0.59 O ATOM 767 CB GLU A 54 -6.613 -5.369 -7.679 1.00 0.71 C ATOM 768 CG GLU A 54 -6.619 -6.733 -8.354 1.00 1.35 C ATOM 769 CD GLU A 54 -7.849 -7.548 -8.026 1.00 1.86 C ATOM 770 OE1 GLU A 54 -8.943 -7.220 -8.542 1.00 2.45 O ATOM 771 OE2 GLU A 54 -7.738 -8.517 -7.252 1.00 2.18 O ATOM 0 H GLU A 54 -4.481 -5.959 -6.337 1.00 0.45 H new ATOM 0 HA GLU A 54 -5.058 -4.442 -8.818 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -6.886 -5.487 -6.630 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -7.375 -4.739 -8.138 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -6.556 -6.598 -9.434 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -5.731 -7.287 -8.050 1.00 1.35 H new ATOM 778 N ASN A 55 -4.982 -2.255 -7.645 1.00 0.49 N ATOM 779 CA ASN A 55 -4.788 -0.981 -6.960 1.00 0.46 C ATOM 780 C ASN A 55 -5.996 -0.073 -7.123 1.00 0.46 C ATOM 781 O ASN A 55 -6.704 -0.138 -8.129 1.00 0.65 O ATOM 782 CB ASN A 55 -3.534 -0.270 -7.481 1.00 0.62 C ATOM 783 CG ASN A 55 -3.578 -0.001 -8.979 1.00 1.21 C ATOM 784 OD1 ASN A 55 -4.167 -0.759 -9.748 1.00 1.84 O ATOM 785 ND2 ASN A 55 -2.936 1.073 -9.407 1.00 1.93 N ATOM 0 H ASN A 55 -4.883 -2.210 -8.659 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.661 -1.199 -5.900 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -3.413 0.675 -6.952 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -2.658 -0.877 -7.253 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -2.919 1.294 -10.403 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -2.458 1.680 -8.741 1.00 1.93 H new ATOM 792 N LYS A 56 -6.225 0.774 -6.126 1.00 0.42 N ATOM 793 CA LYS A 56 -7.352 1.688 -6.151 1.00 0.43 C ATOM 794 C LYS A 56 -7.065 2.891 -5.250 1.00 0.46 C ATOM 795 O LYS A 56 -6.878 2.752 -4.040 1.00 0.53 O ATOM 796 CB LYS A 56 -8.641 0.934 -5.759 1.00 0.55 C ATOM 797 CG LYS A 56 -9.233 1.251 -4.392 1.00 1.03 C ATOM 798 CD LYS A 56 -8.913 0.171 -3.373 1.00 0.62 C ATOM 799 CE LYS A 56 -9.947 0.158 -2.270 1.00 1.26 C ATOM 800 NZ LYS A 56 -11.276 -0.313 -2.752 1.00 1.42 N ATOM 0 H LYS A 56 -5.643 0.844 -5.291 1.00 0.42 H new ATOM 0 HA LYS A 56 -7.503 2.077 -7.158 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -9.399 1.142 -6.514 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.435 -0.136 -5.800 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -8.845 2.208 -4.041 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -10.314 1.358 -4.480 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -8.884 -0.802 -3.863 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -7.924 0.344 -2.950 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -9.605 -0.488 -1.461 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -10.047 1.161 -1.856 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -11.822 -0.691 -1.951 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -11.793 0.483 -3.178 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -11.143 -1.060 -3.464 1.00 1.42 H new ATOM 814 N TYR A 57 -6.983 4.071 -5.848 1.00 0.48 N ATOM 815 CA TYR A 57 -6.615 5.269 -5.102 1.00 0.56 C ATOM 816 C TYR A 57 -7.774 6.255 -5.034 1.00 0.57 C ATOM 817 O TYR A 57 -8.458 6.492 -6.032 1.00 0.71 O ATOM 818 CB TYR A 57 -5.418 5.975 -5.733 1.00 0.69 C ATOM 819 CG TYR A 57 -4.328 5.070 -6.266 1.00 0.54 C ATOM 820 CD1 TYR A 57 -3.571 4.259 -5.425 1.00 0.61 C ATOM 821 CD2 TYR A 57 -4.049 5.039 -7.625 1.00 0.91 C ATOM 822 CE1 TYR A 57 -2.574 3.449 -5.930 1.00 0.98 C ATOM 823 CE2 TYR A 57 -3.053 4.233 -8.132 1.00 1.19 C ATOM 824 CZ TYR A 57 -2.319 3.441 -7.283 1.00 1.19 C ATOM 825 OH TYR A 57 -1.324 2.637 -7.793 1.00 1.66 O ATOM 0 H TYR A 57 -7.164 4.226 -6.840 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.353 4.939 -4.096 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -5.778 6.600 -6.550 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.980 6.642 -4.990 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -3.767 4.264 -4.363 1.00 0.61 H new ATOM 0 HD2 TYR A 57 -4.623 5.658 -8.298 1.00 0.91 H new ATOM 0 HE1 TYR A 57 -1.996 2.824 -5.266 1.00 0.98 H new ATOM 0 HE2 TYR A 57 -2.850 4.224 -9.193 1.00 1.19 H new ATOM 0 HH TYR A 57 -0.785 2.278 -7.058 1.00 1.66 H new ATOM 835 N PHE A 58 -7.997 6.820 -3.855 1.00 0.52 N ATOM 836 CA PHE A 58 -8.955 7.904 -3.694 1.00 0.60 C ATOM 837 C PHE A 58 -8.315 9.055 -2.922 1.00 0.73 C ATOM 838 O PHE A 58 -8.182 8.996 -1.696 1.00 0.80 O ATOM 839 CB PHE A 58 -10.205 7.433 -2.939 1.00 0.67 C ATOM 840 CG PHE A 58 -11.037 6.421 -3.676 1.00 0.96 C ATOM 841 CD1 PHE A 58 -10.726 5.072 -3.613 1.00 1.56 C ATOM 842 CD2 PHE A 58 -12.137 6.817 -4.419 1.00 1.19 C ATOM 843 CE1 PHE A 58 -11.494 4.140 -4.278 1.00 2.14 C ATOM 844 CE2 PHE A 58 -12.909 5.886 -5.088 1.00 1.65 C ATOM 845 CZ PHE A 58 -12.586 4.546 -5.017 1.00 2.08 C ATOM 0 H PHE A 58 -7.525 6.544 -2.994 1.00 0.52 H new ATOM 0 HA PHE A 58 -9.250 8.238 -4.689 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -9.897 7.005 -1.985 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -10.826 8.300 -2.714 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -9.872 4.747 -3.037 1.00 1.56 H new ATOM 0 HD2 PHE A 58 -12.394 7.864 -4.476 1.00 1.19 H new ATOM 0 HE1 PHE A 58 -11.241 3.092 -4.220 1.00 2.14 H new ATOM 0 HE2 PHE A 58 -13.764 6.207 -5.665 1.00 1.65 H new ATOM 0 HZ PHE A 58 -13.187 3.816 -5.539 1.00 2.08 H new ATOM 855 N PRO A 59 -7.894 10.106 -3.631 1.00 0.90 N ATOM 856 CA PRO A 59 -7.392 11.333 -3.020 1.00 1.17 C ATOM 857 C PRO A 59 -8.529 12.258 -2.600 1.00 1.32 C ATOM 858 O PRO A 59 -9.502 12.441 -3.337 1.00 1.92 O ATOM 859 CB PRO A 59 -6.559 11.981 -4.140 1.00 1.46 C ATOM 860 CG PRO A 59 -6.564 10.998 -5.268 1.00 1.30 C ATOM 861 CD PRO A 59 -7.803 10.171 -5.086 1.00 1.01 C ATOM 0 HA PRO A 59 -6.821 11.138 -2.112 1.00 1.17 H new ATOM 0 HB2 PRO A 59 -6.991 12.933 -4.448 1.00 1.46 H new ATOM 0 HB3 PRO A 59 -5.543 12.186 -3.804 1.00 1.46 H new ATOM 0 HG2 PRO A 59 -6.573 11.508 -6.231 1.00 1.30 H new ATOM 0 HG3 PRO A 59 -5.671 10.374 -5.246 1.00 1.30 H new ATOM 0 HD2 PRO A 59 -8.680 10.641 -5.532 1.00 1.01 H new ATOM 0 HD3 PRO A 59 -7.707 9.183 -5.536 1.00 1.01 H new ATOM 869 N PRO A 60 -8.423 12.848 -1.403 1.00 1.14 N ATOM 870 CA PRO A 60 -9.459 13.709 -0.851 1.00 1.27 C ATOM 871 C PRO A 60 -9.265 15.179 -1.205 1.00 1.97 C ATOM 872 O PRO A 60 -10.196 15.979 -1.097 1.00 2.64 O ATOM 873 CB PRO A 60 -9.282 13.487 0.646 1.00 1.41 C ATOM 874 CG PRO A 60 -7.822 13.237 0.835 1.00 1.85 C ATOM 875 CD PRO A 60 -7.289 12.705 -0.476 1.00 1.56 C ATOM 0 HA PRO A 60 -10.451 13.473 -1.236 1.00 1.27 H new ATOM 0 HB2 PRO A 60 -9.609 14.358 1.215 1.00 1.41 H new ATOM 0 HB3 PRO A 60 -9.874 12.640 0.991 1.00 1.41 H new ATOM 0 HG2 PRO A 60 -7.307 14.156 1.116 1.00 1.85 H new ATOM 0 HG3 PRO A 60 -7.655 12.520 1.638 1.00 1.85 H new ATOM 0 HD2 PRO A 60 -6.422 13.272 -0.815 1.00 1.56 H new ATOM 0 HD3 PRO A 60 -6.974 11.665 -0.387 1.00 1.56 H new ATOM 883 N ASP A 61 -8.063 15.529 -1.648 1.00 2.53 N ATOM 884 CA ASP A 61 -7.718 16.926 -1.892 1.00 3.55 C ATOM 885 C ASP A 61 -6.321 17.034 -2.475 1.00 4.33 C ATOM 886 O ASP A 61 -6.070 17.833 -3.373 1.00 4.81 O ATOM 887 CB ASP A 61 -7.778 17.711 -0.586 1.00 4.18 C ATOM 888 CG ASP A 61 -7.771 19.208 -0.799 1.00 5.17 C ATOM 889 OD1 ASP A 61 -8.405 19.676 -1.766 1.00 5.51 O ATOM 890 OD2 ASP A 61 -7.110 19.921 -0.018 1.00 5.80 O ATOM 0 H ASP A 61 -7.312 14.867 -1.845 1.00 2.53 H new ATOM 0 HA ASP A 61 -8.434 17.338 -2.602 1.00 3.55 H new ATOM 0 HB2 ASP A 61 -8.679 17.431 -0.041 1.00 4.18 H new ATOM 0 HB3 ASP A 61 -6.928 17.434 0.038 1.00 4.18 H new ATOM 895 N SER A 62 -5.417 16.234 -1.916 1.00 4.84 N ATOM 896 CA SER A 62 -4.045 16.089 -2.408 1.00 5.85 C ATOM 897 C SER A 62 -3.163 17.295 -2.061 1.00 6.45 C ATOM 898 O SER A 62 -2.085 17.127 -1.498 1.00 6.95 O ATOM 899 CB SER A 62 -4.036 15.809 -3.912 1.00 6.81 C ATOM 900 OG SER A 62 -4.888 14.715 -4.215 1.00 7.43 O ATOM 0 H SER A 62 -5.617 15.659 -1.097 1.00 4.84 H new ATOM 0 HA SER A 62 -3.611 15.232 -1.894 1.00 5.85 H new ATOM 0 HB2 SER A 62 -4.364 16.695 -4.456 1.00 6.81 H new ATOM 0 HB3 SER A 62 -3.020 15.590 -4.242 1.00 6.81 H new ATOM 0 HG SER A 62 -4.874 14.547 -5.180 1.00 7.43 H new ATOM 906 N LYS A 63 -3.623 18.504 -2.365 1.00 6.69 N ATOM 907 CA LYS A 63 -2.855 19.702 -2.033 1.00 7.56 C ATOM 908 C LYS A 63 -3.072 20.125 -0.577 1.00 7.34 C ATOM 909 O LYS A 63 -2.591 21.176 -0.151 1.00 8.03 O ATOM 910 CB LYS A 63 -3.166 20.865 -2.997 1.00 8.44 C ATOM 911 CG LYS A 63 -4.598 20.912 -3.521 1.00 8.39 C ATOM 912 CD LYS A 63 -5.619 21.145 -2.419 1.00 7.90 C ATOM 913 CE LYS A 63 -5.473 22.510 -1.770 1.00 8.47 C ATOM 914 NZ LYS A 63 -6.463 22.704 -0.674 1.00 8.71 N ATOM 0 H LYS A 63 -4.511 18.681 -2.834 1.00 6.69 H new ATOM 0 HA LYS A 63 -1.802 19.447 -2.152 1.00 7.56 H new ATOM 0 HB2 LYS A 63 -2.952 21.805 -2.488 1.00 8.44 H new ATOM 0 HB3 LYS A 63 -2.487 20.802 -3.847 1.00 8.44 H new ATOM 0 HG2 LYS A 63 -4.683 21.706 -4.263 1.00 8.39 H new ATOM 0 HG3 LYS A 63 -4.825 19.975 -4.029 1.00 8.39 H new ATOM 0 HD2 LYS A 63 -6.623 21.048 -2.832 1.00 7.90 H new ATOM 0 HD3 LYS A 63 -5.511 20.371 -1.659 1.00 7.90 H new ATOM 0 HE2 LYS A 63 -4.464 22.619 -1.373 1.00 8.47 H new ATOM 0 HE3 LYS A 63 -5.605 23.287 -2.522 1.00 8.47 H new ATOM 0 HZ1 LYS A 63 -6.023 23.241 0.100 1.00 8.71 H new ATOM 0 HZ2 LYS A 63 -7.284 23.230 -1.037 1.00 8.71 H new ATOM 0 HZ3 LYS A 63 -6.775 21.777 -0.320 1.00 8.71 H new ATOM 928 N LEU A 64 -3.802 19.306 0.178 1.00 6.59 N ATOM 929 CA LEU A 64 -3.997 19.536 1.608 1.00 6.64 C ATOM 930 C LEU A 64 -4.581 18.282 2.261 1.00 5.83 C ATOM 931 O LEU A 64 -3.841 17.415 2.707 1.00 6.33 O ATOM 932 CB LEU A 64 -4.917 20.743 1.849 1.00 6.54 C ATOM 933 CG LEU A 64 -4.758 21.469 3.197 1.00 7.43 C ATOM 934 CD1 LEU A 64 -5.550 22.765 3.188 1.00 7.88 C ATOM 935 CD2 LEU A 64 -5.207 20.598 4.361 1.00 8.10 C ATOM 0 H LEU A 64 -4.270 18.473 -0.179 1.00 6.59 H new ATOM 0 HA LEU A 64 -3.029 19.755 2.059 1.00 6.64 H new ATOM 0 HB2 LEU A 64 -4.748 21.465 1.050 1.00 6.54 H new ATOM 0 HB3 LEU A 64 -5.950 20.407 1.762 1.00 6.54 H new ATOM 0 HG LEU A 64 -3.699 21.689 3.331 1.00 7.43 H new ATOM 0 HD11 LEU A 64 -5.431 23.271 4.146 1.00 7.88 H new ATOM 0 HD12 LEU A 64 -5.184 23.410 2.389 1.00 7.88 H new ATOM 0 HD13 LEU A 64 -6.605 22.546 3.022 1.00 7.88 H new ATOM 0 HD21 LEU A 64 -5.080 21.145 5.295 1.00 8.10 H new ATOM 0 HD22 LEU A 64 -6.257 20.335 4.235 1.00 8.10 H new ATOM 0 HD23 LEU A 64 -4.606 19.689 4.388 1.00 8.10 H new ATOM 947 N LEU A 65 -5.911 18.183 2.272 1.00 4.74 N ATOM 948 CA LEU A 65 -6.609 17.050 2.879 1.00 4.07 C ATOM 949 C LEU A 65 -8.117 17.238 2.723 1.00 3.22 C ATOM 950 O LEU A 65 -8.620 18.352 2.842 1.00 3.56 O ATOM 951 CB LEU A 65 -6.266 16.928 4.370 1.00 4.05 C ATOM 952 CG LEU A 65 -6.064 15.498 4.888 1.00 4.01 C ATOM 953 CD1 LEU A 65 -4.585 15.153 4.949 1.00 4.35 C ATOM 954 CD2 LEU A 65 -6.708 15.332 6.253 1.00 4.56 C ATOM 0 H LEU A 65 -6.531 18.882 1.863 1.00 4.74 H new ATOM 0 HA LEU A 65 -6.290 16.139 2.373 1.00 4.07 H new ATOM 0 HB2 LEU A 65 -5.357 17.497 4.563 1.00 4.05 H new ATOM 0 HB3 LEU A 65 -7.064 17.395 4.948 1.00 4.05 H new ATOM 0 HG LEU A 65 -6.546 14.810 4.193 1.00 4.01 H new ATOM 0 HD11 LEU A 65 -4.464 14.135 5.319 1.00 4.35 H new ATOM 0 HD12 LEU A 65 -4.152 15.231 3.952 1.00 4.35 H new ATOM 0 HD13 LEU A 65 -4.077 15.846 5.620 1.00 4.35 H new ATOM 0 HD21 LEU A 65 -6.555 14.312 6.606 1.00 4.56 H new ATOM 0 HD22 LEU A 65 -6.255 16.031 6.956 1.00 4.56 H new ATOM 0 HD23 LEU A 65 -7.777 15.534 6.178 1.00 4.56 H new ATOM 966 N GLY A 66 -8.827 16.158 2.430 1.00 2.53 N ATOM 967 CA GLY A 66 -10.274 16.231 2.285 1.00 2.28 C ATOM 968 C GLY A 66 -10.986 15.646 3.486 1.00 2.48 C ATOM 969 O GLY A 66 -12.169 15.911 3.715 1.00 3.02 O ATOM 0 H GLY A 66 -8.430 15.229 2.289 1.00 2.53 H new ATOM 0 HA2 GLY A 66 -10.575 17.270 2.154 1.00 2.28 H new ATOM 0 HA3 GLY A 66 -10.577 15.696 1.385 1.00 2.28 H new ATOM 973 N ALA A 67 -10.236 14.856 4.243 1.00 2.66 N ATOM 974 CA ALA A 67 -10.719 14.153 5.427 1.00 3.24 C ATOM 975 C ALA A 67 -9.599 13.257 5.920 1.00 3.13 C ATOM 976 O ALA A 67 -9.322 13.165 7.115 1.00 3.73 O ATOM 977 CB ALA A 67 -11.962 13.321 5.121 1.00 4.02 C ATOM 0 H ALA A 67 -9.250 14.681 4.047 1.00 2.66 H new ATOM 0 HA ALA A 67 -11.002 14.879 6.189 1.00 3.24 H new ATOM 0 HB1 ALA A 67 -12.292 12.813 6.027 1.00 4.02 H new ATOM 0 HB2 ALA A 67 -12.757 13.974 4.761 1.00 4.02 H new ATOM 0 HB3 ALA A 67 -11.726 12.582 4.356 1.00 4.02 H new ATOM 983 N GLY A 68 -8.956 12.609 4.957 1.00 2.74 N ATOM 984 CA GLY A 68 -7.779 11.813 5.222 1.00 2.84 C ATOM 985 C GLY A 68 -7.167 11.313 3.932 1.00 2.21 C ATOM 986 O GLY A 68 -6.016 11.611 3.621 1.00 2.79 O ATOM 0 H GLY A 68 -9.239 12.624 3.977 1.00 2.74 H new ATOM 0 HA2 GLY A 68 -7.048 12.408 5.770 1.00 2.84 H new ATOM 0 HA3 GLY A 68 -8.042 10.967 5.857 1.00 2.84 H new ATOM 990 N GLY A 69 -7.971 10.594 3.167 1.00 1.49 N ATOM 991 CA GLY A 69 -7.529 10.014 1.917 1.00 1.05 C ATOM 992 C GLY A 69 -7.601 8.505 1.965 1.00 0.84 C ATOM 993 O GLY A 69 -7.559 7.921 3.048 1.00 1.12 O ATOM 0 H GLY A 69 -8.945 10.398 3.397 1.00 1.49 H new ATOM 0 HA2 GLY A 69 -8.148 10.385 1.100 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -6.506 10.326 1.709 1.00 1.05 H new ATOM 997 N THR A 70 -7.721 7.862 0.808 1.00 0.52 N ATOM 998 CA THR A 70 -7.779 6.411 0.761 1.00 0.46 C ATOM 999 C THR A 70 -7.263 5.848 -0.555 1.00 0.39 C ATOM 1000 O THR A 70 -8.030 5.471 -1.438 1.00 0.44 O ATOM 1001 CB THR A 70 -9.202 5.891 1.016 1.00 0.58 C ATOM 1002 OG1 THR A 70 -10.169 6.897 0.686 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.352 5.465 2.466 1.00 0.59 C ATOM 0 H THR A 70 -7.779 8.321 -0.101 1.00 0.52 H new ATOM 0 HA THR A 70 -7.124 6.063 1.560 1.00 0.46 H new ATOM 0 HB THR A 70 -9.377 5.024 0.379 1.00 0.58 H new ATOM 0 HG1 THR A 70 -11.071 6.551 0.852 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.365 5.098 2.635 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.637 4.672 2.688 1.00 0.59 H new ATOM 0 HG23 THR A 70 -9.162 6.318 3.117 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.953 5.763 -0.662 1.00 0.34 N ATOM 1012 CA GLU A 71 -5.303 5.166 -1.818 1.00 0.34 C ATOM 1013 C GLU A 71 -4.772 3.793 -1.418 1.00 0.31 C ATOM 1014 O GLU A 71 -3.757 3.686 -0.732 1.00 0.31 O ATOM 1015 CB GLU A 71 -4.155 6.063 -2.304 1.00 0.36 C ATOM 1016 CG GLU A 71 -4.573 7.506 -2.556 1.00 0.47 C ATOM 1017 CD GLU A 71 -3.464 8.347 -3.160 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -2.536 8.736 -2.421 1.00 0.53 O ATOM 1019 OE2 GLU A 71 -3.529 8.634 -4.375 1.00 0.81 O ATOM 0 H GLU A 71 -5.306 6.105 0.048 1.00 0.34 H new ATOM 0 HA GLU A 71 -6.018 5.062 -2.634 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -3.356 6.049 -1.563 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.744 5.647 -3.224 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -5.435 7.518 -3.223 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.892 7.956 -1.616 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.456 2.733 -1.828 1.00 0.31 N ATOM 1027 CA HIS A 72 -5.107 1.410 -1.339 1.00 0.32 C ATOM 1028 C HIS A 72 -4.454 0.572 -2.421 1.00 0.29 C ATOM 1029 O HIS A 72 -4.621 0.812 -3.618 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.300 0.592 -0.824 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.376 1.303 -0.061 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.187 0.643 0.832 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -7.843 2.564 -0.120 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.111 1.464 1.274 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -8.933 2.643 0.712 1.00 0.53 N ATOM 0 H HIS A 72 -6.238 2.762 -2.483 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.428 1.613 -0.511 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.766 0.108 -1.682 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -5.909 -0.200 -0.186 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.086 -0.334 1.108 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.435 3.368 -0.714 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -9.888 1.215 1.981 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.743 -0.430 -1.961 1.00 0.25 N ATOM 1045 CA PHE A 73 -3.148 -1.446 -2.797 1.00 0.25 C ATOM 1046 C PHE A 73 -3.658 -2.804 -2.362 1.00 0.25 C ATOM 1047 O PHE A 73 -3.290 -3.296 -1.307 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.637 -1.398 -2.642 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.993 -0.321 -3.458 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -1.108 1.004 -3.084 1.00 0.75 C ATOM 1051 CD2 PHE A 73 -0.277 -0.637 -4.599 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.514 1.999 -3.830 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.321 0.354 -5.350 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.202 1.673 -4.965 1.00 1.13 C ATOM 0 H PHE A 73 -3.557 -0.565 -0.967 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.412 -1.272 -3.840 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.391 -1.245 -1.591 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -1.218 -2.362 -2.930 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.669 1.263 -2.198 1.00 0.75 H new ATOM 0 HD2 PHE A 73 -0.185 -1.669 -4.905 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.608 3.032 -3.528 1.00 1.10 H new ATOM 0 HE2 PHE A 73 0.881 0.097 -6.237 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.669 2.451 -5.551 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.496 -3.416 -3.156 1.00 0.25 N ATOM 1065 CA HIS A 74 -5.089 -4.678 -2.763 1.00 0.30 C ATOM 1066 C HIS A 74 -4.390 -5.809 -3.480 1.00 0.31 C ATOM 1067 O HIS A 74 -4.527 -5.961 -4.685 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.580 -4.704 -3.103 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.445 -3.860 -2.219 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.813 -3.930 -2.252 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -7.143 -2.944 -1.262 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -9.319 -3.107 -1.360 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -8.329 -2.497 -0.737 1.00 0.45 N ATOM 0 H HIS A 74 -4.785 -3.070 -4.071 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.975 -4.795 -1.685 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.708 -4.374 -4.134 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.931 -5.735 -3.053 1.00 0.38 H new ATOM 0 HD2 HIS A 74 -6.153 -2.627 -0.969 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -10.371 -2.955 -1.169 1.00 0.47 H new ATOM 0 HE2 HIS A 74 -8.429 -1.809 0.009 1.00 0.45 H new ATOM 1082 N VAL A 75 -3.645 -6.609 -2.747 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.928 -7.690 -3.370 1.00 0.26 C ATOM 1084 C VAL A 75 -3.670 -8.993 -3.119 1.00 0.25 C ATOM 1085 O VAL A 75 -3.942 -9.397 -1.980 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.439 -7.790 -2.913 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.773 -6.424 -2.915 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -1.298 -8.436 -1.552 1.00 0.87 C ATOM 0 H VAL A 75 -3.524 -6.531 -1.737 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.889 -7.486 -4.440 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.934 -8.430 -3.636 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.263 -6.524 -2.592 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -0.801 -6.007 -3.922 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.303 -5.760 -2.232 1.00 0.71 H new ATOM 0 HG21 VAL A 75 -0.244 -8.483 -1.279 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.839 -7.847 -0.812 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.709 -9.445 -1.584 1.00 0.87 H new ATOM 1098 N THR A 76 -4.060 -9.616 -4.192 1.00 0.28 N ATOM 1099 CA THR A 76 -4.721 -10.879 -4.114 1.00 0.32 C ATOM 1100 C THR A 76 -3.710 -11.940 -4.487 1.00 0.34 C ATOM 1101 O THR A 76 -3.355 -12.065 -5.653 1.00 0.39 O ATOM 1102 CB THR A 76 -5.920 -10.934 -5.085 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.720 -9.752 -4.947 1.00 0.46 O ATOM 1104 CG2 THR A 76 -6.780 -12.159 -4.825 1.00 0.45 C ATOM 0 H THR A 76 -3.928 -9.263 -5.140 1.00 0.28 H new ATOM 0 HA THR A 76 -5.105 -11.039 -3.107 1.00 0.32 H new ATOM 0 HB THR A 76 -5.527 -10.995 -6.100 1.00 0.40 H new ATOM 0 HG1 THR A 76 -6.984 -9.431 -5.834 1.00 0.46 H new ATOM 0 HG21 THR A 76 -7.617 -12.171 -5.524 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.181 -13.060 -4.960 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.160 -12.126 -3.804 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.198 -12.647 -3.488 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.177 -13.663 -3.711 1.00 0.41 C ATOM 1114 C VAL A 77 -2.103 -14.637 -2.543 1.00 0.45 C ATOM 1115 O VAL A 77 -1.818 -14.242 -1.416 1.00 0.60 O ATOM 1116 CB VAL A 77 -0.782 -13.022 -3.945 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.438 -12.025 -2.847 1.00 0.90 C ATOM 1118 CG2 VAL A 77 0.296 -14.095 -4.046 1.00 1.04 C ATOM 0 H VAL A 77 -3.474 -12.535 -2.512 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.464 -14.211 -4.608 1.00 0.41 H new ATOM 0 HB VAL A 77 -0.823 -12.480 -4.890 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.545 -11.595 -3.041 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.185 -11.231 -2.829 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -0.427 -12.534 -1.883 1.00 0.90 H new ATOM 0 HG21 VAL A 77 1.265 -13.623 -4.210 1.00 1.04 H new ATOM 0 HG22 VAL A 77 0.324 -14.670 -3.121 1.00 1.04 H new ATOM 0 HG23 VAL A 77 0.071 -14.760 -4.880 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.365 -15.911 -2.801 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.245 -16.900 -1.756 1.00 0.41 C ATOM 1130 C LYS A 78 -1.147 -17.901 -2.112 1.00 0.40 C ATOM 1131 O LYS A 78 -1.287 -18.738 -3.004 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.598 -17.574 -1.443 1.00 0.48 C ATOM 1133 CG LYS A 78 -3.939 -18.843 -2.222 1.00 0.77 C ATOM 1134 CD LYS A 78 -4.428 -18.576 -3.642 1.00 0.61 C ATOM 1135 CE LYS A 78 -4.919 -19.870 -4.277 1.00 1.29 C ATOM 1136 NZ LYS A 78 -5.580 -19.647 -5.587 1.00 1.54 N ATOM 0 H LYS A 78 -2.656 -16.273 -3.709 1.00 0.39 H new ATOM 0 HA LYS A 78 -1.950 -16.402 -0.833 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -3.619 -17.814 -0.380 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.388 -16.845 -1.621 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -3.056 -19.481 -2.265 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.706 -19.396 -1.681 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -5.233 -17.841 -3.626 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -3.621 -18.152 -4.239 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -4.076 -20.548 -4.410 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -5.618 -20.360 -3.600 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -6.585 -19.907 -5.518 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -5.499 -18.644 -5.850 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -5.120 -20.234 -6.312 1.00 1.54 H new ATOM 1150 N ALA A 79 -0.019 -17.737 -1.452 1.00 0.39 N ATOM 1151 CA ALA A 79 1.127 -18.613 -1.632 1.00 0.40 C ATOM 1152 C ALA A 79 2.118 -18.396 -0.508 1.00 0.43 C ATOM 1153 O ALA A 79 2.295 -17.267 -0.058 1.00 0.67 O ATOM 1154 CB ALA A 79 1.797 -18.360 -2.974 1.00 0.46 C ATOM 0 H ALA A 79 0.132 -16.991 -0.773 1.00 0.39 H new ATOM 0 HA ALA A 79 0.780 -19.646 -1.614 1.00 0.40 H new ATOM 0 HB1 ALA A 79 2.652 -19.027 -3.086 1.00 0.46 H new ATOM 0 HB2 ALA A 79 1.084 -18.546 -3.777 1.00 0.46 H new ATOM 0 HB3 ALA A 79 2.136 -17.325 -3.022 1.00 0.46 H new ATOM 1160 N ALA A 80 2.757 -19.472 -0.062 1.00 0.34 N ATOM 1161 CA ALA A 80 3.712 -19.400 1.035 1.00 0.33 C ATOM 1162 C ALA A 80 4.925 -18.563 0.652 1.00 0.34 C ATOM 1163 O ALA A 80 5.858 -19.046 0.008 1.00 0.44 O ATOM 1164 CB ALA A 80 4.135 -20.795 1.462 1.00 0.37 C ATOM 0 H ALA A 80 2.629 -20.408 -0.446 1.00 0.34 H new ATOM 0 HA ALA A 80 3.223 -18.913 1.879 1.00 0.33 H new ATOM 0 HB1 ALA A 80 4.849 -20.724 2.283 1.00 0.37 H new ATOM 0 HB2 ALA A 80 3.260 -21.356 1.790 1.00 0.37 H new ATOM 0 HB3 ALA A 80 4.600 -21.308 0.620 1.00 0.37 H new ATOM 1170 N GLY A 81 4.882 -17.299 1.031 1.00 0.28 N ATOM 1171 CA GLY A 81 5.968 -16.387 0.772 1.00 0.29 C ATOM 1172 C GLY A 81 5.813 -15.144 1.608 1.00 0.25 C ATOM 1173 O GLY A 81 4.749 -14.903 2.164 1.00 0.26 O ATOM 0 H GLY A 81 4.093 -16.882 1.525 1.00 0.28 H new ATOM 0 HA2 GLY A 81 6.919 -16.869 0.997 1.00 0.29 H new ATOM 0 HA3 GLY A 81 5.987 -16.123 -0.285 1.00 0.29 H new ATOM 1177 N THR A 82 6.840 -14.343 1.705 1.00 0.26 N ATOM 1178 CA THR A 82 6.741 -13.145 2.507 1.00 0.25 C ATOM 1179 C THR A 82 6.528 -11.943 1.596 1.00 0.25 C ATOM 1180 O THR A 82 7.207 -11.782 0.584 1.00 0.30 O ATOM 1181 CB THR A 82 7.988 -12.942 3.383 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.478 -14.214 3.834 1.00 0.40 O ATOM 1183 CG2 THR A 82 7.643 -12.083 4.589 1.00 0.36 C ATOM 0 H THR A 82 7.741 -14.490 1.250 1.00 0.26 H new ATOM 0 HA THR A 82 5.889 -13.251 3.179 1.00 0.25 H new ATOM 0 HB THR A 82 8.755 -12.443 2.791 1.00 0.32 H new ATOM 0 HG1 THR A 82 9.274 -14.080 4.390 1.00 0.40 H new ATOM 0 HG21 THR A 82 8.533 -11.945 5.204 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.280 -11.112 4.252 1.00 0.36 H new ATOM 0 HG23 THR A 82 6.869 -12.576 5.177 1.00 0.36 H new ATOM 1191 N HIS A 83 5.563 -11.119 1.959 1.00 0.24 N ATOM 1192 CA HIS A 83 5.135 -10.005 1.135 1.00 0.25 C ATOM 1193 C HIS A 83 5.686 -8.701 1.703 1.00 0.24 C ATOM 1194 O HIS A 83 5.180 -8.187 2.702 1.00 0.24 O ATOM 1195 CB HIS A 83 3.595 -9.938 1.108 1.00 0.27 C ATOM 1196 CG HIS A 83 3.039 -9.155 -0.039 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.204 -7.797 -0.167 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.307 -9.548 -1.107 1.00 0.37 C ATOM 1199 CE1 HIS A 83 2.600 -7.378 -1.264 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.048 -8.424 -1.857 1.00 0.39 N ATOM 0 H HIS A 83 5.052 -11.204 2.838 1.00 0.24 H new ATOM 0 HA HIS A 83 5.511 -10.148 0.122 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.198 -10.952 1.068 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.245 -9.495 2.040 1.00 0.27 H new ATOM 0 HD1 HIS A 83 3.715 -7.203 0.486 1.00 0.40 H new ATOM 0 HD2 HIS A 83 1.986 -10.555 -1.329 1.00 0.37 H new ATOM 0 HE1 HIS A 83 2.563 -6.358 -1.616 1.00 0.40 H new ATOM 1209 N ALA A 84 6.700 -8.153 1.059 1.00 0.25 N ATOM 1210 CA ALA A 84 7.276 -6.894 1.503 1.00 0.25 C ATOM 1211 C ALA A 84 6.764 -5.765 0.632 1.00 0.25 C ATOM 1212 O ALA A 84 7.040 -5.704 -0.565 1.00 0.35 O ATOM 1213 CB ALA A 84 8.795 -6.959 1.466 1.00 0.31 C ATOM 0 H ALA A 84 7.141 -8.556 0.232 1.00 0.25 H new ATOM 0 HA ALA A 84 6.974 -6.708 2.534 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.208 -6.008 1.802 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.141 -7.757 2.123 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.126 -7.159 0.447 1.00 0.31 H new ATOM 1219 N VAL A 85 5.991 -4.881 1.237 1.00 0.22 N ATOM 1220 CA VAL A 85 5.295 -3.854 0.487 1.00 0.23 C ATOM 1221 C VAL A 85 5.943 -2.501 0.681 1.00 0.22 C ATOM 1222 O VAL A 85 5.783 -1.877 1.730 1.00 0.25 O ATOM 1223 CB VAL A 85 3.824 -3.752 0.917 1.00 0.26 C ATOM 1224 CG1 VAL A 85 2.994 -3.100 -0.177 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.276 -5.120 1.288 1.00 0.59 C ATOM 0 H VAL A 85 5.830 -4.854 2.244 1.00 0.22 H new ATOM 0 HA VAL A 85 5.351 -4.140 -0.563 1.00 0.23 H new ATOM 0 HB VAL A 85 3.764 -3.121 1.804 1.00 0.26 H new ATOM 0 HG11 VAL A 85 1.954 -3.036 0.144 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.375 -2.098 -0.375 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.056 -3.698 -1.086 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.233 -5.025 1.589 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.346 -5.785 0.428 1.00 0.59 H new ATOM 0 HG23 VAL A 85 3.856 -5.533 2.114 1.00 0.59 H new ATOM 1235 N ASN A 86 6.683 -2.061 -0.326 1.00 0.22 N ATOM 1236 CA ASN A 86 7.249 -0.719 -0.331 1.00 0.22 C ATOM 1237 C ASN A 86 6.467 0.152 -1.300 1.00 0.20 C ATOM 1238 O ASN A 86 6.625 0.048 -2.515 1.00 0.24 O ATOM 1239 CB ASN A 86 8.736 -0.725 -0.733 1.00 0.28 C ATOM 1240 CG ASN A 86 9.664 -1.318 0.320 1.00 0.85 C ATOM 1241 OD1 ASN A 86 9.200 -2.330 1.031 1.00 1.53 O flip ATOM 1242 ND2 ASN A 86 10.801 -0.871 0.478 1.00 0.94 N flip ATOM 0 H ASN A 86 6.906 -2.615 -1.153 1.00 0.22 H new ATOM 0 HA ASN A 86 7.179 -0.321 0.681 1.00 0.22 H new ATOM 0 HB2 ASN A 86 8.848 -1.288 -1.659 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.049 0.298 -0.942 1.00 0.28 H new ATOM 0 HD21 ASN A 86 11.125 -0.088 -0.090 1.00 0.94 H new ATOM 0 HD22 ASN A 86 11.419 -1.284 1.177 1.00 0.94 H new ATOM 1249 N LEU A 87 5.622 1.005 -0.757 1.00 0.18 N ATOM 1250 CA LEU A 87 4.799 1.882 -1.566 1.00 0.19 C ATOM 1251 C LEU A 87 5.324 3.301 -1.469 1.00 0.18 C ATOM 1252 O LEU A 87 5.456 3.843 -0.382 1.00 0.18 O ATOM 1253 CB LEU A 87 3.343 1.804 -1.112 1.00 0.20 C ATOM 1254 CG LEU A 87 2.717 0.416 -1.234 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.359 0.376 -0.561 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.591 0.050 -2.692 1.00 0.22 C ATOM 0 H LEU A 87 5.487 1.110 0.249 1.00 0.18 H new ATOM 0 HA LEU A 87 4.844 1.565 -2.608 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.282 2.127 -0.073 1.00 0.20 H new ATOM 0 HB3 LEU A 87 2.754 2.508 -1.700 1.00 0.20 H new ATOM 0 HG LEU A 87 3.361 -0.307 -0.733 1.00 0.21 H new ATOM 0 HD11 LEU A 87 0.933 -0.622 -0.661 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.469 0.619 0.496 1.00 0.24 H new ATOM 0 HD13 LEU A 87 0.697 1.102 -1.033 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.144 -0.940 -2.781 1.00 0.22 H new ATOM 0 HD22 LEU A 87 1.959 0.780 -3.197 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.579 0.045 -3.153 1.00 0.22 H new ATOM 1268 N THR A 88 5.634 3.890 -2.603 1.00 0.21 N ATOM 1269 CA THR A 88 6.349 5.145 -2.629 1.00 0.21 C ATOM 1270 C THR A 88 5.437 6.317 -3.000 1.00 0.21 C ATOM 1271 O THR A 88 4.841 6.346 -4.076 1.00 0.29 O ATOM 1272 CB THR A 88 7.527 5.041 -3.611 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.142 3.761 -3.468 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.560 6.117 -3.334 1.00 0.29 C ATOM 0 H THR A 88 5.400 3.517 -3.523 1.00 0.21 H new ATOM 0 HA THR A 88 6.726 5.343 -1.626 1.00 0.21 H new ATOM 0 HB THR A 88 7.147 5.173 -4.624 1.00 0.25 H new ATOM 0 HG1 THR A 88 8.023 3.247 -4.294 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.383 6.022 -4.042 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.100 7.099 -3.442 1.00 0.29 H new ATOM 0 HG23 THR A 88 8.940 6.004 -2.319 1.00 0.29 H new ATOM 1282 N TYR A 89 5.340 7.274 -2.090 1.00 0.24 N ATOM 1283 CA TYR A 89 4.520 8.461 -2.274 1.00 0.27 C ATOM 1284 C TYR A 89 5.340 9.539 -2.979 1.00 0.27 C ATOM 1285 O TYR A 89 5.946 10.393 -2.327 1.00 0.30 O ATOM 1286 CB TYR A 89 4.036 8.967 -0.902 1.00 0.37 C ATOM 1287 CG TYR A 89 2.856 9.920 -0.945 1.00 0.45 C ATOM 1288 CD1 TYR A 89 1.566 9.440 -1.072 1.00 0.68 C ATOM 1289 CD2 TYR A 89 3.023 11.289 -0.836 1.00 1.00 C ATOM 1290 CE1 TYR A 89 0.474 10.288 -1.095 1.00 0.69 C ATOM 1291 CE2 TYR A 89 1.937 12.146 -0.865 1.00 1.11 C ATOM 1292 CZ TYR A 89 0.665 11.640 -0.993 1.00 0.68 C ATOM 1293 OH TYR A 89 -0.418 12.491 -1.006 1.00 0.80 O ATOM 0 H TYR A 89 5.832 7.248 -1.197 1.00 0.24 H new ATOM 0 HA TYR A 89 3.652 8.220 -2.887 1.00 0.27 H new ATOM 0 HB2 TYR A 89 3.766 8.107 -0.290 1.00 0.37 H new ATOM 0 HB3 TYR A 89 4.867 9.465 -0.402 1.00 0.37 H new ATOM 0 HD1 TYR A 89 1.407 8.375 -1.155 1.00 0.68 H new ATOM 0 HD2 TYR A 89 4.018 11.696 -0.726 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -0.524 9.886 -1.193 1.00 0.69 H new ATOM 0 HE2 TYR A 89 2.089 13.212 -0.787 1.00 1.11 H new ATOM 0 HH TYR A 89 -1.245 11.969 -0.950 1.00 0.80 H new ATOM 1303 N MET A 90 5.373 9.484 -4.308 1.00 0.29 N ATOM 1304 CA MET A 90 6.157 10.442 -5.093 1.00 0.34 C ATOM 1305 C MET A 90 5.278 11.138 -6.096 1.00 0.38 C ATOM 1306 O MET A 90 4.163 10.704 -6.361 1.00 0.47 O ATOM 1307 CB MET A 90 7.271 9.780 -5.902 1.00 0.37 C ATOM 1308 CG MET A 90 7.990 8.651 -5.206 1.00 0.36 C ATOM 1309 SD MET A 90 9.235 7.889 -6.261 1.00 0.65 S ATOM 1310 CE MET A 90 8.208 7.256 -7.589 1.00 0.54 C ATOM 0 H MET A 90 4.870 8.792 -4.864 1.00 0.29 H new ATOM 0 HA MET A 90 6.587 11.130 -4.365 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.846 9.400 -6.831 1.00 0.37 H new ATOM 0 HB3 MET A 90 8.002 10.542 -6.174 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.464 9.028 -4.300 1.00 0.36 H new ATOM 0 HG3 MET A 90 7.266 7.897 -4.897 1.00 0.36 H new ATOM 0 HE1 MET A 90 8.833 6.739 -8.317 1.00 0.54 H new ATOM 0 HE2 MET A 90 7.474 6.561 -7.182 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.692 8.084 -8.076 1.00 0.54 H new ATOM 1320 N ARG A 91 5.794 12.200 -6.679 1.00 0.40 N ATOM 1321 CA ARG A 91 5.120 12.852 -7.784 1.00 0.49 C ATOM 1322 C ARG A 91 5.369 12.048 -9.054 1.00 0.58 C ATOM 1323 O ARG A 91 6.470 12.058 -9.573 1.00 0.65 O ATOM 1324 CB ARG A 91 5.654 14.269 -7.966 1.00 0.55 C ATOM 1325 CG ARG A 91 4.577 15.341 -7.978 1.00 0.67 C ATOM 1326 CD ARG A 91 5.162 16.708 -8.280 1.00 0.79 C ATOM 1327 NE ARG A 91 4.129 17.719 -8.504 1.00 1.37 N ATOM 1328 CZ ARG A 91 4.372 18.933 -8.997 1.00 1.71 C ATOM 1329 NH1 ARG A 91 5.618 19.325 -9.231 1.00 1.74 N ATOM 1330 NH2 ARG A 91 3.369 19.763 -9.235 1.00 2.59 N ATOM 0 H ARG A 91 6.678 12.631 -6.407 1.00 0.40 H new ATOM 0 HA ARG A 91 4.051 12.905 -7.576 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.359 14.486 -7.163 1.00 0.55 H new ATOM 0 HB3 ARG A 91 6.211 14.318 -8.901 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.823 15.093 -8.725 1.00 0.67 H new ATOM 0 HG3 ARG A 91 4.073 15.364 -7.012 1.00 0.67 H new ATOM 0 HD2 ARG A 91 5.798 17.019 -7.451 1.00 0.79 H new ATOM 0 HD3 ARG A 91 5.799 16.641 -9.162 1.00 0.79 H new ATOM 0 HE ARG A 91 3.165 17.481 -8.269 1.00 1.37 H new ATOM 0 HH11 ARG A 91 6.396 18.696 -9.033 1.00 1.74 H new ATOM 0 HH12 ARG A 91 5.798 20.255 -9.608 1.00 1.74 H new ATOM 0 HH21 ARG A 91 2.410 19.473 -9.041 1.00 2.59 H new ATOM 0 HH22 ARG A 91 3.555 20.692 -9.612 1.00 2.59 H new ATOM 1344 N PRO A 92 4.346 11.359 -9.571 1.00 0.67 N ATOM 1345 CA PRO A 92 4.501 10.334 -10.627 1.00 0.81 C ATOM 1346 C PRO A 92 5.384 10.740 -11.817 1.00 0.91 C ATOM 1347 O PRO A 92 6.061 9.896 -12.400 1.00 1.04 O ATOM 1348 CB PRO A 92 3.060 10.072 -11.090 1.00 0.92 C ATOM 1349 CG PRO A 92 2.216 11.107 -10.416 1.00 0.88 C ATOM 1350 CD PRO A 92 2.942 11.496 -9.170 1.00 0.72 C ATOM 0 HA PRO A 92 5.019 9.463 -10.226 1.00 0.81 H new ATOM 0 HB2 PRO A 92 2.979 10.148 -12.174 1.00 0.92 H new ATOM 0 HB3 PRO A 92 2.739 9.067 -10.816 1.00 0.92 H new ATOM 0 HG2 PRO A 92 2.068 11.970 -11.065 1.00 0.88 H new ATOM 0 HG3 PRO A 92 1.228 10.711 -10.182 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.705 12.514 -8.862 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.692 10.843 -8.333 1.00 0.72 H new ATOM 1358 N TRP A 93 5.390 12.018 -12.169 1.00 0.90 N ATOM 1359 CA TRP A 93 6.122 12.476 -13.348 1.00 1.03 C ATOM 1360 C TRP A 93 7.507 13.033 -13.004 1.00 1.03 C ATOM 1361 O TRP A 93 8.159 13.650 -13.851 1.00 1.17 O ATOM 1362 CB TRP A 93 5.298 13.527 -14.097 1.00 1.08 C ATOM 1363 CG TRP A 93 4.826 14.656 -13.229 1.00 0.98 C ATOM 1364 CD1 TRP A 93 5.480 15.824 -12.973 1.00 1.01 C ATOM 1365 CD2 TRP A 93 3.595 14.719 -12.504 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.732 16.605 -12.128 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.569 15.949 -11.826 1.00 0.94 C ATOM 1368 CE3 TRP A 93 2.513 13.849 -12.362 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.497 16.332 -11.019 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 1.453 14.228 -11.562 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.452 15.459 -10.897 1.00 0.99 C ATOM 0 H TRP A 93 4.900 12.754 -11.661 1.00 0.90 H new ATOM 0 HA TRP A 93 6.281 11.608 -13.987 1.00 1.03 H new ATOM 0 HB2 TRP A 93 5.898 13.933 -14.911 1.00 1.08 H new ATOM 0 HB3 TRP A 93 4.433 13.042 -14.549 1.00 1.08 H new ATOM 0 HD1 TRP A 93 6.445 16.095 -13.376 1.00 1.01 H new ATOM 0 HE1 TRP A 93 5.000 17.526 -11.781 1.00 0.98 H new ATOM 0 HE3 TRP A 93 2.505 12.896 -12.869 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.493 17.284 -10.509 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.610 13.563 -11.448 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.610 15.725 -10.275 1.00 0.99 H new ATOM 1382 N THR A 94 7.964 12.820 -11.775 1.00 0.91 N ATOM 1383 CA THR A 94 9.288 13.288 -11.376 1.00 0.95 C ATOM 1384 C THR A 94 9.719 12.700 -10.029 1.00 0.86 C ATOM 1385 O THR A 94 10.811 12.146 -9.923 1.00 1.07 O ATOM 1386 CB THR A 94 9.364 14.840 -11.343 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.646 15.270 -10.873 1.00 1.09 O ATOM 1388 CG2 THR A 94 8.269 15.446 -10.471 1.00 0.85 C ATOM 0 H THR A 94 7.445 12.332 -11.045 1.00 0.91 H new ATOM 0 HA THR A 94 9.985 12.932 -12.135 1.00 0.95 H new ATOM 0 HB THR A 94 9.214 15.190 -12.364 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.678 16.249 -10.860 1.00 1.09 H new ATOM 0 HG21 THR A 94 8.359 16.532 -10.476 1.00 0.85 H new ATOM 0 HG22 THR A 94 7.293 15.161 -10.863 1.00 0.85 H new ATOM 0 HG23 THR A 94 8.372 15.078 -9.450 1.00 0.85 H new ATOM 1396 N GLY A 95 8.853 12.809 -9.022 1.00 0.64 N ATOM 1397 CA GLY A 95 9.158 12.303 -7.692 1.00 0.60 C ATOM 1398 C GLY A 95 10.484 12.797 -7.182 1.00 0.70 C ATOM 1399 O GLY A 95 11.486 12.088 -7.282 1.00 1.16 O ATOM 0 H GLY A 95 7.934 13.244 -9.106 1.00 0.64 H new ATOM 0 HA2 GLY A 95 8.371 12.605 -7.002 1.00 0.60 H new ATOM 0 HA3 GLY A 95 9.163 11.213 -7.713 1.00 0.60 H new ATOM 1403 N PRO A 96 10.516 14.034 -6.663 1.00 0.64 N ATOM 1404 CA PRO A 96 11.696 14.599 -6.024 1.00 0.90 C ATOM 1405 C PRO A 96 12.407 13.561 -5.161 1.00 0.98 C ATOM 1406 O PRO A 96 11.911 13.177 -4.098 1.00 1.17 O ATOM 1407 CB PRO A 96 11.111 15.722 -5.174 1.00 1.02 C ATOM 1408 CG PRO A 96 9.902 16.176 -5.914 1.00 1.20 C ATOM 1409 CD PRO A 96 9.386 14.983 -6.670 1.00 0.97 C ATOM 0 HA PRO A 96 12.450 14.943 -6.732 1.00 0.90 H new ATOM 0 HB2 PRO A 96 10.853 15.368 -4.176 1.00 1.02 H new ATOM 0 HB3 PRO A 96 11.826 16.535 -5.049 1.00 1.02 H new ATOM 0 HG2 PRO A 96 9.146 16.555 -5.226 1.00 1.20 H new ATOM 0 HG3 PRO A 96 10.148 16.990 -6.596 1.00 1.20 H new ATOM 0 HD2 PRO A 96 8.505 14.557 -6.189 1.00 0.97 H new ATOM 0 HD3 PRO A 96 9.097 15.250 -7.686 1.00 0.97 H new ATOM 1417 N SER A 97 13.540 13.076 -5.655 1.00 1.20 N ATOM 1418 CA SER A 97 14.264 11.994 -5.010 1.00 1.48 C ATOM 1419 C SER A 97 14.573 12.330 -3.558 1.00 1.31 C ATOM 1420 O SER A 97 15.127 13.390 -3.263 1.00 1.86 O ATOM 1421 CB SER A 97 15.552 11.700 -5.779 1.00 2.04 C ATOM 1422 OG SER A 97 15.272 11.448 -7.148 1.00 2.64 O ATOM 0 H SER A 97 13.978 13.421 -6.509 1.00 1.20 H new ATOM 0 HA SER A 97 13.634 11.104 -5.018 1.00 1.48 H new ATOM 0 HB2 SER A 97 16.235 12.545 -5.692 1.00 2.04 H new ATOM 0 HB3 SER A 97 16.055 10.838 -5.341 1.00 2.04 H new ATOM 0 HG SER A 97 16.108 11.264 -7.624 1.00 2.64 H new ATOM 1428 N HIS A 98 14.155 11.436 -2.663 1.00 1.20 N ATOM 1429 CA HIS A 98 14.392 11.566 -1.227 1.00 1.22 C ATOM 1430 C HIS A 98 13.437 12.588 -0.597 1.00 0.98 C ATOM 1431 O HIS A 98 13.440 12.779 0.619 1.00 1.07 O ATOM 1432 CB HIS A 98 15.865 11.917 -0.943 1.00 1.58 C ATOM 1433 CG HIS A 98 16.226 11.954 0.511 1.00 2.34 C ATOM 1434 ND1 HIS A 98 16.620 13.103 1.165 1.00 3.02 N ATOM 1435 CD2 HIS A 98 16.251 10.971 1.442 1.00 3.23 C ATOM 1436 CE1 HIS A 98 16.870 12.823 2.430 1.00 3.95 C ATOM 1437 NE2 HIS A 98 16.655 11.538 2.622 1.00 4.09 N ATOM 0 H HIS A 98 13.638 10.594 -2.917 1.00 1.20 H new ATOM 0 HA HIS A 98 14.187 10.602 -0.762 1.00 1.22 H new ATOM 0 HB2 HIS A 98 16.502 11.188 -1.444 1.00 1.58 H new ATOM 0 HB3 HIS A 98 16.085 12.889 -1.384 1.00 1.58 H new ATOM 0 HD2 HIS A 98 15.999 9.933 1.284 1.00 3.23 H new ATOM 0 HE1 HIS A 98 17.196 13.528 3.181 1.00 3.95 H new ATOM 0 HE2 HIS A 98 16.771 11.044 3.507 1.00 4.09 H new ATOM 1446 N ASP A 99 12.595 13.223 -1.414 1.00 0.79 N ATOM 1447 CA ASP A 99 11.617 14.173 -0.889 1.00 0.79 C ATOM 1448 C ASP A 99 10.290 13.463 -0.728 1.00 0.77 C ATOM 1449 O ASP A 99 9.464 13.810 0.116 1.00 1.35 O ATOM 1450 CB ASP A 99 11.455 15.369 -1.829 1.00 0.96 C ATOM 1451 CG ASP A 99 10.611 16.475 -1.225 1.00 1.18 C ATOM 1452 OD1 ASP A 99 10.726 16.721 -0.003 1.00 1.35 O ATOM 1453 OD2 ASP A 99 9.845 17.121 -1.971 1.00 1.67 O ATOM 0 H ASP A 99 12.571 13.099 -2.426 1.00 0.79 H new ATOM 0 HA ASP A 99 11.965 14.548 0.074 1.00 0.79 H new ATOM 0 HB2 ASP A 99 12.439 15.764 -2.081 1.00 0.96 H new ATOM 0 HB3 ASP A 99 10.997 15.035 -2.760 1.00 0.96 H new ATOM 1458 N SER A 100 10.119 12.452 -1.552 1.00 0.51 N ATOM 1459 CA SER A 100 8.940 11.620 -1.537 1.00 0.45 C ATOM 1460 C SER A 100 8.881 10.783 -0.259 1.00 0.46 C ATOM 1461 O SER A 100 9.899 10.541 0.394 1.00 0.69 O ATOM 1462 CB SER A 100 8.987 10.718 -2.759 1.00 0.55 C ATOM 1463 OG SER A 100 9.256 11.474 -3.930 1.00 1.39 O ATOM 0 H SER A 100 10.804 12.183 -2.259 1.00 0.51 H new ATOM 0 HA SER A 100 8.046 12.243 -1.561 1.00 0.45 H new ATOM 0 HB2 SER A 100 9.756 9.957 -2.626 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.037 10.195 -2.868 1.00 0.55 H new ATOM 0 HG SER A 100 9.596 10.880 -4.632 1.00 1.39 H new ATOM 1469 N GLU A 101 7.683 10.356 0.101 1.00 0.35 N ATOM 1470 CA GLU A 101 7.494 9.484 1.248 1.00 0.40 C ATOM 1471 C GLU A 101 7.424 8.044 0.756 1.00 0.40 C ATOM 1472 O GLU A 101 7.204 7.813 -0.426 1.00 0.68 O ATOM 1473 CB GLU A 101 6.214 9.874 2.004 1.00 0.46 C ATOM 1474 CG GLU A 101 5.956 9.057 3.266 1.00 0.62 C ATOM 1475 CD GLU A 101 7.089 9.148 4.269 1.00 1.06 C ATOM 1476 OE1 GLU A 101 8.162 8.568 4.020 1.00 1.91 O ATOM 1477 OE2 GLU A 101 6.908 9.807 5.314 1.00 1.19 O ATOM 0 H GLU A 101 6.822 10.601 -0.388 1.00 0.35 H new ATOM 0 HA GLU A 101 8.330 9.586 1.940 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.272 10.928 2.274 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.362 9.763 1.333 1.00 0.46 H new ATOM 0 HG2 GLU A 101 5.034 9.402 3.734 1.00 0.62 H new ATOM 0 HG3 GLU A 101 5.803 8.013 2.992 1.00 0.62 H new ATOM 1484 N ARG A 102 7.635 7.079 1.632 1.00 0.22 N ATOM 1485 CA ARG A 102 7.522 5.687 1.245 1.00 0.18 C ATOM 1486 C ARG A 102 7.050 4.850 2.420 1.00 0.17 C ATOM 1487 O ARG A 102 7.455 5.062 3.563 1.00 0.20 O ATOM 1488 CB ARG A 102 8.852 5.151 0.701 1.00 0.23 C ATOM 1489 CG ARG A 102 8.695 3.892 -0.143 1.00 0.26 C ATOM 1490 CD ARG A 102 10.027 3.402 -0.692 1.00 0.36 C ATOM 1491 NE ARG A 102 9.855 2.584 -1.899 1.00 0.37 N ATOM 1492 CZ ARG A 102 10.763 1.731 -2.371 1.00 0.44 C ATOM 1493 NH1 ARG A 102 11.868 1.468 -1.684 1.00 0.62 N ATOM 1494 NH2 ARG A 102 10.546 1.118 -3.529 1.00 0.52 N ATOM 0 H ARG A 102 7.884 7.233 2.609 1.00 0.22 H new ATOM 0 HA ARG A 102 6.784 5.618 0.446 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.329 5.925 0.100 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.519 4.939 1.536 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.241 3.106 0.460 1.00 0.26 H new ATOM 0 HG3 ARG A 102 8.014 4.093 -0.970 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.662 4.258 -0.921 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.542 2.819 0.071 1.00 0.36 H new ATOM 0 HE ARG A 102 8.978 2.675 -2.412 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.029 1.921 -0.784 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.556 0.813 -2.056 1.00 0.62 H new ATOM 0 HH21 ARG A 102 9.689 1.302 -4.050 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.237 0.464 -3.897 1.00 0.52 H new ATOM 1508 N PHE A 103 6.179 3.915 2.114 1.00 0.15 N ATOM 1509 CA PHE A 103 5.597 3.024 3.088 1.00 0.17 C ATOM 1510 C PHE A 103 6.249 1.656 2.967 1.00 0.18 C ATOM 1511 O PHE A 103 6.765 1.313 1.904 1.00 0.21 O ATOM 1512 CB PHE A 103 4.085 2.939 2.838 1.00 0.18 C ATOM 1513 CG PHE A 103 3.481 1.633 3.211 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.425 0.603 2.301 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.955 1.445 4.475 1.00 0.55 C ATOM 1516 CE1 PHE A 103 2.853 -0.595 2.641 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.379 0.253 4.819 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.399 -0.801 3.898 1.00 0.86 C ATOM 0 H PHE A 103 5.850 3.751 1.163 1.00 0.15 H new ATOM 0 HA PHE A 103 5.765 3.396 4.099 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.589 3.730 3.401 1.00 0.18 H new ATOM 0 HB3 PHE A 103 3.891 3.129 1.782 1.00 0.18 H new ATOM 0 HD1 PHE A 103 3.835 0.739 1.311 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.999 2.246 5.198 1.00 0.55 H new ATOM 0 HE1 PHE A 103 2.764 -1.378 1.902 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.916 0.127 5.786 1.00 0.78 H new ATOM 0 HZ PHE A 103 2.051 -1.780 4.192 1.00 0.86 H new ATOM 1528 N THR A 104 6.226 0.873 4.036 1.00 0.17 N ATOM 1529 CA THR A 104 6.812 -0.447 3.997 1.00 0.19 C ATOM 1530 C THR A 104 6.209 -1.349 5.069 1.00 0.17 C ATOM 1531 O THR A 104 6.548 -1.239 6.247 1.00 0.18 O ATOM 1532 CB THR A 104 8.344 -0.372 4.201 1.00 0.24 C ATOM 1533 OG1 THR A 104 8.961 0.358 3.126 1.00 0.31 O ATOM 1534 CG2 THR A 104 8.948 -1.760 4.292 1.00 0.26 C ATOM 0 H THR A 104 5.810 1.131 4.931 1.00 0.17 H new ATOM 0 HA THR A 104 6.597 -0.869 3.015 1.00 0.19 H new ATOM 0 HB THR A 104 8.531 0.151 5.139 1.00 0.24 H new ATOM 0 HG1 THR A 104 8.307 0.502 2.410 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.026 -1.679 4.435 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.509 -2.293 5.135 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.744 -2.306 3.371 1.00 0.26 H new ATOM 1542 N VAL A 105 5.310 -2.242 4.673 1.00 0.17 N ATOM 1543 CA VAL A 105 4.885 -3.281 5.584 1.00 0.17 C ATOM 1544 C VAL A 105 5.506 -4.608 5.185 1.00 0.21 C ATOM 1545 O VAL A 105 5.587 -4.949 4.002 1.00 0.25 O ATOM 1546 CB VAL A 105 3.350 -3.426 5.660 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.773 -3.942 4.354 1.00 0.79 C ATOM 1548 CG2 VAL A 105 2.967 -4.338 6.811 1.00 0.88 C ATOM 0 H VAL A 105 4.875 -2.264 3.751 1.00 0.17 H new ATOM 0 HA VAL A 105 5.228 -2.988 6.576 1.00 0.17 H new ATOM 0 HB VAL A 105 2.927 -2.437 5.836 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.690 -4.031 4.445 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.014 -3.246 3.550 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.200 -4.919 4.128 1.00 0.79 H new ATOM 0 HG21 VAL A 105 1.882 -4.433 6.855 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.411 -5.322 6.659 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.332 -3.916 7.747 1.00 0.88 H new ATOM 1558 N TYR A 106 5.987 -5.325 6.173 1.00 0.24 N ATOM 1559 CA TYR A 106 6.493 -6.660 5.967 1.00 0.28 C ATOM 1560 C TYR A 106 5.484 -7.656 6.490 1.00 0.27 C ATOM 1561 O TYR A 106 5.331 -7.825 7.692 1.00 0.36 O ATOM 1562 CB TYR A 106 7.823 -6.859 6.680 1.00 0.38 C ATOM 1563 CG TYR A 106 8.961 -6.047 6.107 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.593 -6.442 4.940 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.406 -4.896 6.741 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.638 -5.709 4.413 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.450 -4.158 6.222 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.065 -4.569 5.058 1.00 0.58 C ATOM 1569 OH TYR A 106 12.101 -3.833 4.529 1.00 0.70 O ATOM 0 H TYR A 106 6.038 -5.000 7.139 1.00 0.24 H new ATOM 0 HA TYR A 106 6.654 -6.811 4.900 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.701 -6.600 7.732 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.089 -7.915 6.640 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.263 -7.337 4.434 1.00 0.48 H new ATOM 0 HD2 TYR A 106 8.928 -4.573 7.654 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.118 -6.028 3.500 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.784 -3.263 6.725 1.00 0.57 H new ATOM 0 HH TYR A 106 12.279 -3.059 5.103 1.00 0.70 H new ATOM 1579 N LEU A 107 4.778 -8.292 5.592 1.00 0.26 N ATOM 1580 CA LEU A 107 3.763 -9.241 5.980 1.00 0.29 C ATOM 1581 C LEU A 107 4.063 -10.585 5.347 1.00 0.31 C ATOM 1582 O LEU A 107 4.608 -10.642 4.259 1.00 0.45 O ATOM 1583 CB LEU A 107 2.391 -8.724 5.552 1.00 0.39 C ATOM 1584 CG LEU A 107 2.151 -8.692 4.042 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.275 -9.852 3.603 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.533 -7.376 3.633 1.00 2.02 C ATOM 0 H LEU A 107 4.886 -8.171 4.585 1.00 0.26 H new ATOM 0 HA LEU A 107 3.759 -9.364 7.063 1.00 0.29 H new ATOM 0 HB2 LEU A 107 1.625 -9.348 6.013 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.261 -7.716 5.946 1.00 0.39 H new ATOM 0 HG LEU A 107 3.116 -8.793 3.545 1.00 1.33 H new ATOM 0 HD11 LEU A 107 1.121 -9.804 2.525 1.00 2.12 H new ATOM 0 HD12 LEU A 107 1.762 -10.793 3.858 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.312 -9.793 4.110 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.369 -7.370 2.555 1.00 2.02 H new ATOM 0 HD22 LEU A 107 0.580 -7.247 4.146 1.00 2.02 H new ATOM 0 HD23 LEU A 107 2.204 -6.560 3.902 1.00 2.02 H new ATOM 1598 N LYS A 108 3.720 -11.662 6.015 1.00 0.25 N ATOM 1599 CA LYS A 108 3.992 -12.982 5.471 1.00 0.26 C ATOM 1600 C LYS A 108 2.729 -13.596 4.911 1.00 0.24 C ATOM 1601 O LYS A 108 1.819 -13.938 5.661 1.00 0.29 O ATOM 1602 CB LYS A 108 4.581 -13.892 6.537 1.00 0.32 C ATOM 1603 CG LYS A 108 4.878 -15.284 6.020 1.00 0.45 C ATOM 1604 CD LYS A 108 6.142 -15.845 6.648 1.00 0.76 C ATOM 1605 CE LYS A 108 6.464 -17.233 6.125 1.00 1.34 C ATOM 1606 NZ LYS A 108 7.718 -17.762 6.718 1.00 1.89 N ATOM 0 H LYS A 108 3.258 -11.657 6.924 1.00 0.25 H new ATOM 0 HA LYS A 108 4.718 -12.872 4.665 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.500 -13.448 6.920 1.00 0.32 H new ATOM 0 HB3 LYS A 108 3.886 -13.961 7.374 1.00 0.32 H new ATOM 0 HG2 LYS A 108 4.037 -15.943 6.238 1.00 0.45 H new ATOM 0 HG3 LYS A 108 4.989 -15.256 4.936 1.00 0.45 H new ATOM 0 HD2 LYS A 108 6.978 -15.176 6.442 1.00 0.76 H new ATOM 0 HD3 LYS A 108 6.024 -15.883 7.731 1.00 0.76 H new ATOM 0 HE2 LYS A 108 5.640 -17.909 6.353 1.00 1.34 H new ATOM 0 HE3 LYS A 108 6.559 -17.201 5.040 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 7.908 -18.712 6.339 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 8.508 -17.130 6.480 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 7.617 -17.816 7.752 1.00 1.89 H new ATOM 1620 N ALA A 109 2.718 -13.808 3.605 1.00 0.24 N ATOM 1621 CA ALA A 109 1.506 -14.180 2.897 1.00 0.28 C ATOM 1622 C ALA A 109 1.484 -15.675 2.613 1.00 0.34 C ATOM 1623 O ALA A 109 2.528 -16.324 2.553 1.00 0.53 O ATOM 1624 CB ALA A 109 1.388 -13.390 1.599 1.00 0.37 C ATOM 0 H ALA A 109 3.543 -13.728 3.010 1.00 0.24 H new ATOM 0 HA ALA A 109 0.652 -13.941 3.530 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.475 -13.679 1.079 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.356 -12.324 1.824 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.249 -13.601 0.965 1.00 0.37 H new ATOM 1630 N ASN A 110 0.280 -16.208 2.490 1.00 0.41 N ATOM 1631 CA ASN A 110 0.055 -17.624 2.259 1.00 0.54 C ATOM 1632 C ASN A 110 -1.443 -17.887 2.234 1.00 0.95 C ATOM 1633 O ASN A 110 -1.906 -18.620 1.342 1.00 1.35 O ATOM 1634 CB ASN A 110 0.742 -18.487 3.334 1.00 0.56 C ATOM 1635 CG ASN A 110 0.329 -18.136 4.753 1.00 0.80 C ATOM 1636 OD1 ASN A 110 0.982 -17.134 5.329 1.00 1.58 O flip ATOM 1637 ND2 ASN A 110 -0.559 -18.763 5.334 1.00 0.56 N flip ATOM 1638 OXT ASN A 110 -2.154 -17.304 3.080 1.00 1.78 O ATOM 0 H ASN A 110 -0.579 -15.662 2.549 1.00 0.41 H new ATOM 0 HA ASN A 110 0.493 -17.900 1.300 1.00 0.54 H new ATOM 0 HB2 ASN A 110 0.512 -19.536 3.147 1.00 0.56 H new ATOM 0 HB3 ASN A 110 1.822 -18.376 3.241 1.00 0.56 H new ATOM 0 HD21 ASN A 110 -1.039 -19.527 4.858 1.00 0.56 H new ATOM 0 HD22 ASN A 110 -0.814 -18.518 6.291 1.00 0.56 H new TER 1645 ASN A 110