USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 786 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 38 MET CE :methyl -108:sc= -0.186 (180deg=-1.28) USER MOD Set 1.2: A 42 GLN : amide:sc= -12.5! C(o=-13!,f=-12!) USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= -1.66 F(o=-10!,f=-8.5) USER MOD Set 2.2: A 31 GLN :FLIP amide:sc= -3.24 F(o=-14!,f=-8.5) USER MOD Set 2.3: A 105 MET CE :methyl -129:sc= -3.66! (180deg=-4.71!) USER MOD Set 3.1: A 16 GLN :FLIP amide:sc= -2.37 F(o=-8.9!,f=-7.5) USER MOD Set 3.2: A 19 GLN :FLIP amide:sc= -5.16! C(o=-8.1!,f=-7.5!) USER MOD Set 4.1: A 18 CYS SG : rot 180:sc= 0.314 USER MOD Set 4.2: A 23 THR OG1 : rot 157:sc= 0.34 USER MOD Single : A 1 SER N :NH3+ -125:sc= 0.126 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -64:sc= 1.13 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.023 (180deg=-0.246) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -89:sc= -3.48! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0831 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.67 X(o=-1.7,f=-2!) USER MOD Single : A 54 GLN : amide:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.231 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= 1.14 (180deg=-0.615) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.2 K(o=-3.2,f=-4.3!) USER MOD Single : A 72 SER OG : rot -63:sc= 0.13 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.147 USER MOD Single : A 80 SER OG : rot 128:sc= -2.09! USER MOD Single : A 82 THR OG1 : rot -83:sc= 0.00212 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -98:sc= 0.755 USER MOD Single : A 86 MET CE :methyl 168:sc= -1.13 (180deg=-1.68) USER MOD Single : A 91 ASN :FLIP amide:sc= -2.82! C(o=-5.8!,f=-2.8!) USER MOD Single : A 96 LYS NZ :NH3+ 142:sc= 0.591 (180deg=-1.87!) USER MOD Single : A 103 GLN : amide:sc= -4.66! C(o=-4.7!,f=-11!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.670 -7.663 -8.748 1.00 0.00 N ATOM 2 CA SER A 1 3.208 -6.278 -8.760 1.00 0.00 C ATOM 3 C SER A 1 4.129 -6.040 -7.569 1.00 0.00 C ATOM 4 O SER A 1 4.321 -6.929 -6.740 1.00 0.00 O ATOM 5 CB SER A 1 2.062 -5.265 -8.741 1.00 0.00 C ATOM 6 OG SER A 1 1.252 -5.387 -9.898 1.00 0.00 O ATOM 0 H1 SER A 1 2.886 -8.127 -9.653 1.00 0.00 H new ATOM 0 H2 SER A 1 3.107 -8.199 -7.971 1.00 0.00 H new ATOM 0 H3 SER A 1 1.639 -7.634 -8.611 1.00 0.00 H new ATOM 0 HA SER A 1 3.786 -6.148 -9.675 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.453 -5.417 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.467 -4.255 -8.682 1.00 0.00 H new ATOM 0 HG SER A 1 0.526 -4.730 -9.860 1.00 0.00 H new ATOM 14 N ILE A 2 4.726 -4.847 -7.526 1.00 0.00 N ATOM 15 CA ILE A 2 5.639 -4.438 -6.451 1.00 0.00 C ATOM 16 C ILE A 2 7.036 -5.024 -6.624 1.00 0.00 C ATOM 17 O ILE A 2 8.024 -4.305 -6.500 1.00 0.00 O ATOM 18 CB ILE A 2 5.107 -4.778 -5.022 1.00 0.00 C ATOM 19 CG1 ILE A 2 4.152 -3.694 -4.555 1.00 0.00 C ATOM 20 CG2 ILE A 2 6.239 -4.924 -3.998 1.00 0.00 C ATOM 21 CD1 ILE A 2 3.081 -4.210 -3.642 1.00 0.00 C ATOM 0 H ILE A 2 4.590 -4.131 -8.240 1.00 0.00 H new ATOM 0 HA ILE A 2 5.696 -3.353 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 2 4.592 -5.736 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.717 -2.917 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.687 -3.228 -5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.818 -5.160 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.909 -5.726 -4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.797 -3.989 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.431 -3.388 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.493 -4.967 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.539 -4.651 -2.757 1.00 0.00 H new ATOM 33 N THR A 3 7.121 -6.312 -6.922 1.00 0.00 N ATOM 34 CA THR A 3 8.411 -6.974 -7.025 1.00 0.00 C ATOM 35 C THR A 3 9.259 -6.525 -8.205 1.00 0.00 C ATOM 36 O THR A 3 9.640 -7.334 -9.051 1.00 0.00 O ATOM 37 CB THR A 3 8.275 -8.508 -7.039 1.00 0.00 C ATOM 38 OG1 THR A 3 9.512 -9.113 -7.433 1.00 0.00 O ATOM 39 CG2 THR A 3 7.167 -8.953 -7.969 1.00 0.00 C ATOM 0 H THR A 3 6.317 -6.915 -7.096 1.00 0.00 H new ATOM 0 HA THR A 3 8.939 -6.664 -6.123 1.00 0.00 H new ATOM 0 HB THR A 3 8.023 -8.829 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.723 -8.856 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.096 -10.041 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.221 -8.524 -7.639 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.385 -8.615 -8.982 1.00 0.00 H new ATOM 47 N ASP A 4 9.550 -5.231 -8.269 1.00 0.00 N ATOM 48 CA ASP A 4 10.431 -4.712 -9.291 1.00 0.00 C ATOM 49 C ASP A 4 11.850 -4.971 -8.821 1.00 0.00 C ATOM 50 O ASP A 4 12.708 -5.405 -9.591 1.00 0.00 O ATOM 51 CB ASP A 4 10.193 -3.218 -9.514 1.00 0.00 C ATOM 52 CG ASP A 4 8.858 -2.942 -10.177 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.821 -3.039 -9.487 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.849 -2.634 -11.387 1.00 0.00 O ATOM 0 H ASP A 4 9.187 -4.529 -7.624 1.00 0.00 H new ATOM 0 HA ASP A 4 10.244 -5.203 -10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.235 -2.699 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.994 -2.813 -10.132 1.00 0.00 H new ATOM 59 N ILE A 5 12.084 -4.709 -7.530 1.00 0.00 N ATOM 60 CA ILE A 5 13.380 -4.978 -6.928 1.00 0.00 C ATOM 61 C ILE A 5 13.205 -5.411 -5.468 1.00 0.00 C ATOM 62 O ILE A 5 13.284 -4.605 -4.547 1.00 0.00 O ATOM 63 CB ILE A 5 14.221 -3.688 -6.947 1.00 0.00 C ATOM 64 CG1 ILE A 5 14.130 -3.015 -8.309 1.00 0.00 C ATOM 65 CG2 ILE A 5 15.663 -3.959 -6.566 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.936 -2.088 -8.456 1.00 0.00 C ATOM 0 H ILE A 5 11.393 -4.314 -6.892 1.00 0.00 H new ATOM 0 HA ILE A 5 13.872 -5.771 -7.492 1.00 0.00 H new ATOM 0 HB ILE A 5 13.812 -3.008 -6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 5 15.043 -2.447 -8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.079 -3.783 -9.081 1.00 0.00 H new ATOM 0 HG21 ILE A 5 16.227 -3.027 -6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 5 15.701 -4.380 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 5 16.099 -4.665 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.939 -1.646 -9.452 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.016 -2.655 -8.313 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.995 -1.297 -7.708 1.00 0.00 H new ATOM 78 N LEU A 6 12.953 -6.698 -5.288 1.00 0.00 N ATOM 79 CA LEU A 6 12.813 -7.284 -3.963 1.00 0.00 C ATOM 80 C LEU A 6 12.519 -8.786 -4.022 1.00 0.00 C ATOM 81 O LEU A 6 12.258 -9.333 -5.093 1.00 0.00 O ATOM 82 CB LEU A 6 11.796 -6.525 -3.109 1.00 0.00 C ATOM 83 CG LEU A 6 10.408 -6.321 -3.693 1.00 0.00 C ATOM 84 CD1 LEU A 6 10.416 -5.332 -4.854 1.00 0.00 C ATOM 85 CD2 LEU A 6 9.840 -7.652 -4.114 1.00 0.00 C ATOM 0 H LEU A 6 12.840 -7.364 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 6 13.778 -7.180 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.689 -7.054 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.213 -5.544 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 6 9.771 -5.887 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.403 -5.217 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.784 -4.367 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.066 -5.705 -5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.844 -7.507 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.488 -8.103 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.776 -8.311 -3.248 1.00 0.00 H new ATOM 97 N SER A 7 12.565 -9.445 -2.866 1.00 0.00 N ATOM 98 CA SER A 7 12.268 -10.878 -2.795 1.00 0.00 C ATOM 99 C SER A 7 10.775 -11.119 -3.051 1.00 0.00 C ATOM 100 O SER A 7 9.930 -10.819 -2.210 1.00 0.00 O ATOM 101 CB SER A 7 12.658 -11.446 -1.428 1.00 0.00 C ATOM 102 OG SER A 7 13.951 -11.012 -1.041 1.00 0.00 O ATOM 0 H SER A 7 12.803 -9.016 -1.972 1.00 0.00 H new ATOM 0 HA SER A 7 12.852 -11.387 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.928 -11.134 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.633 -12.535 -1.463 1.00 0.00 H new ATOM 0 HG SER A 7 14.173 -11.388 -0.164 1.00 0.00 H new ATOM 108 N ALA A 8 10.472 -11.668 -4.226 1.00 0.00 N ATOM 109 CA ALA A 8 9.096 -11.942 -4.644 1.00 0.00 C ATOM 110 C ALA A 8 8.419 -12.983 -3.753 1.00 0.00 C ATOM 111 O ALA A 8 7.210 -12.950 -3.557 1.00 0.00 O ATOM 112 CB ALA A 8 9.086 -12.423 -6.081 1.00 0.00 C ATOM 0 H ALA A 8 11.173 -11.936 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 8 8.534 -11.012 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.061 -12.626 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.513 -11.654 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.677 -13.335 -6.164 1.00 0.00 H new ATOM 118 N GLU A 9 9.189 -13.947 -3.264 1.00 0.00 N ATOM 119 CA GLU A 9 8.637 -14.994 -2.412 1.00 0.00 C ATOM 120 C GLU A 9 8.126 -14.404 -1.108 1.00 0.00 C ATOM 121 O GLU A 9 6.987 -14.635 -0.704 1.00 0.00 O ATOM 122 CB GLU A 9 9.713 -16.035 -2.129 1.00 0.00 C ATOM 123 CG GLU A 9 10.147 -16.788 -3.366 1.00 0.00 C ATOM 124 CD GLU A 9 9.029 -17.609 -3.978 1.00 0.00 C ATOM 125 OE1 GLU A 9 8.850 -18.772 -3.561 1.00 0.00 O ATOM 126 OE2 GLU A 9 8.332 -17.087 -4.874 1.00 0.00 O ATOM 0 H GLU A 9 10.190 -14.026 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 9 7.800 -15.467 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.580 -15.543 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.339 -16.745 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.517 -16.079 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.978 -17.446 -3.112 1.00 0.00 H new ATOM 133 N ASP A 10 8.991 -13.639 -0.457 1.00 0.00 N ATOM 134 CA ASP A 10 8.645 -12.970 0.789 1.00 0.00 C ATOM 135 C ASP A 10 7.377 -12.159 0.656 1.00 0.00 C ATOM 136 O ASP A 10 6.710 -11.902 1.645 1.00 0.00 O ATOM 137 CB ASP A 10 9.803 -12.079 1.242 1.00 0.00 C ATOM 138 CG ASP A 10 10.942 -12.879 1.843 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.820 -13.329 1.077 1.00 0.00 O ATOM 140 OD2 ASP A 10 10.956 -13.055 3.080 1.00 0.00 O ATOM 0 H ASP A 10 9.945 -13.465 -0.774 1.00 0.00 H new ATOM 0 HA ASP A 10 8.464 -13.737 1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.173 -11.507 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.440 -11.360 1.976 1.00 0.00 H new ATOM 145 N ILE A 11 7.026 -11.778 -0.559 1.00 0.00 N ATOM 146 CA ILE A 11 5.817 -11.003 -0.772 1.00 0.00 C ATOM 147 C ILE A 11 4.606 -11.831 -0.355 1.00 0.00 C ATOM 148 O ILE A 11 3.757 -11.371 0.407 1.00 0.00 O ATOM 149 CB ILE A 11 5.697 -10.565 -2.255 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.385 -9.227 -2.477 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.251 -10.488 -2.746 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.434 -8.849 -3.935 1.00 0.00 C ATOM 0 H ILE A 11 7.555 -11.990 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 11 5.861 -10.100 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 11 6.194 -11.339 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.858 -8.452 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.399 -9.271 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.237 -10.176 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.783 -11.468 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.700 -9.765 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.934 -7.887 -4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.984 -9.609 -4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.419 -8.777 -4.327 1.00 0.00 H new ATOM 164 N ALA A 12 4.535 -13.056 -0.865 1.00 0.00 N ATOM 165 CA ALA A 12 3.422 -13.927 -0.547 1.00 0.00 C ATOM 166 C ALA A 12 3.339 -14.136 0.944 1.00 0.00 C ATOM 167 O ALA A 12 2.297 -13.943 1.538 1.00 0.00 O ATOM 168 CB ALA A 12 3.561 -15.261 -1.256 1.00 0.00 C ATOM 0 H ALA A 12 5.230 -13.460 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 12 2.504 -13.452 -0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.714 -15.898 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.583 -15.100 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.486 -15.745 -0.942 1.00 0.00 H new ATOM 174 N ALA A 13 4.435 -14.522 1.565 1.00 0.00 N ATOM 175 CA ALA A 13 4.410 -14.705 3.002 1.00 0.00 C ATOM 176 C ALA A 13 4.091 -13.375 3.667 1.00 0.00 C ATOM 177 O ALA A 13 3.164 -13.259 4.464 1.00 0.00 O ATOM 178 CB ALA A 13 5.739 -15.250 3.498 1.00 0.00 C ATOM 0 H ALA A 13 5.330 -14.711 1.114 1.00 0.00 H new ATOM 0 HA ALA A 13 3.639 -15.431 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.698 -15.380 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.938 -16.211 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.536 -14.550 3.246 1.00 0.00 H new ATOM 184 N ALA A 14 4.874 -12.373 3.296 1.00 0.00 N ATOM 185 CA ALA A 14 4.698 -11.025 3.824 1.00 0.00 C ATOM 186 C ALA A 14 3.240 -10.595 3.761 1.00 0.00 C ATOM 187 O ALA A 14 2.690 -10.091 4.740 1.00 0.00 O ATOM 188 CB ALA A 14 5.549 -10.032 3.043 1.00 0.00 C ATOM 0 H ALA A 14 5.640 -12.467 2.629 1.00 0.00 H new ATOM 0 HA ALA A 14 5.015 -11.037 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.406 -9.031 3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.600 -10.310 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.251 -10.043 1.995 1.00 0.00 H new ATOM 194 N LEU A 15 2.618 -10.794 2.610 1.00 0.00 N ATOM 195 CA LEU A 15 1.236 -10.408 2.423 1.00 0.00 C ATOM 196 C LEU A 15 0.285 -11.428 3.020 1.00 0.00 C ATOM 197 O LEU A 15 -0.550 -11.110 3.863 1.00 0.00 O ATOM 198 CB LEU A 15 0.925 -10.256 0.933 1.00 0.00 C ATOM 199 CG LEU A 15 -0.305 -9.399 0.590 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.870 -9.798 -0.766 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.383 -9.501 1.657 1.00 0.00 C ATOM 0 H LEU A 15 3.052 -11.222 1.792 1.00 0.00 H new ATOM 0 HA LEU A 15 1.094 -9.456 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.796 -9.821 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.782 -11.249 0.508 1.00 0.00 H new ATOM 0 HG LEU A 15 0.024 -8.360 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.740 -9.182 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.111 -9.651 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.165 -10.847 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.234 -8.880 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.705 -10.538 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.984 -9.158 2.611 1.00 0.00 H new ATOM 213 N GLN A 16 0.442 -12.664 2.571 1.00 0.00 N ATOM 214 CA GLN A 16 -0.423 -13.765 2.952 1.00 0.00 C ATOM 215 C GLN A 16 -0.242 -14.209 4.396 1.00 0.00 C ATOM 216 O GLN A 16 -0.979 -15.072 4.873 1.00 0.00 O ATOM 217 CB GLN A 16 -0.141 -14.935 2.024 1.00 0.00 C ATOM 218 CG GLN A 16 -0.176 -14.519 0.576 1.00 0.00 C ATOM 219 CD GLN A 16 -1.546 -14.077 0.128 1.00 0.00 C ATOM 220 OE1 GLN A 16 -1.807 -12.787 0.275 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -2.355 -14.877 -0.342 1.00 0.00 N flip ATOM 0 H GLN A 16 1.184 -12.932 1.924 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.453 -13.419 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.836 -15.357 2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.877 -15.721 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.532 -13.706 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.153 -15.352 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.104 -15.861 -0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.276 -14.555 -0.639 1.00 0.00 H new ATOM 230 N GLU A 17 0.723 -13.633 5.099 1.00 0.00 N ATOM 231 CA GLU A 17 0.983 -14.063 6.462 1.00 0.00 C ATOM 232 C GLU A 17 -0.203 -13.790 7.375 1.00 0.00 C ATOM 233 O GLU A 17 -0.923 -14.708 7.765 1.00 0.00 O ATOM 234 CB GLU A 17 2.238 -13.354 6.996 1.00 0.00 C ATOM 235 CG GLU A 17 2.407 -13.419 8.506 1.00 0.00 C ATOM 236 CD GLU A 17 3.683 -12.750 8.982 1.00 0.00 C ATOM 237 OE1 GLU A 17 3.649 -11.532 9.254 1.00 0.00 O ATOM 238 OE2 GLU A 17 4.717 -13.445 9.080 1.00 0.00 O ATOM 0 H GLU A 17 1.325 -12.884 4.757 1.00 0.00 H new ATOM 0 HA GLU A 17 1.146 -15.141 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.117 -13.796 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.206 -12.308 6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.551 -12.942 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.409 -14.462 8.823 1.00 0.00 H new ATOM 245 N CYS A 18 -0.405 -12.529 7.710 1.00 0.00 N ATOM 246 CA CYS A 18 -1.494 -12.118 8.584 1.00 0.00 C ATOM 247 C CYS A 18 -2.590 -11.375 7.823 1.00 0.00 C ATOM 248 O CYS A 18 -3.564 -10.934 8.428 1.00 0.00 O ATOM 249 CB CYS A 18 -0.952 -11.237 9.710 1.00 0.00 C ATOM 250 SG CYS A 18 -1.852 -11.397 11.270 1.00 0.00 S ATOM 0 H CYS A 18 0.180 -11.759 7.385 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.939 -13.020 9.003 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.095 -11.486 9.880 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.984 -10.196 9.390 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.319 -10.615 12.161 1.00 0.00 H new ATOM 256 N GLN A 19 -2.454 -11.273 6.497 1.00 0.00 N ATOM 257 CA GLN A 19 -3.373 -10.458 5.697 1.00 0.00 C ATOM 258 C GLN A 19 -4.832 -10.634 6.116 1.00 0.00 C ATOM 259 O GLN A 19 -5.296 -11.727 6.432 1.00 0.00 O ATOM 260 CB GLN A 19 -3.176 -10.777 4.195 1.00 0.00 C ATOM 261 CG GLN A 19 -4.455 -10.907 3.357 1.00 0.00 C ATOM 262 CD GLN A 19 -4.190 -10.880 1.860 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.185 -9.682 1.278 1.00 0.00 O flip ATOM 264 NE2 GLN A 19 -3.989 -11.921 1.235 1.00 0.00 N flip ATOM 0 H GLN A 19 -1.724 -11.740 5.959 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.133 -9.410 5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.557 -9.994 3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.616 -11.709 4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.958 -11.839 3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.136 -10.095 3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.002 -12.818 1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.810 -11.887 0.231 1.00 0.00 H new ATOM 273 N ASP A 20 -5.526 -9.499 6.083 1.00 0.00 N ATOM 274 CA ASP A 20 -6.929 -9.404 6.450 1.00 0.00 C ATOM 275 C ASP A 20 -7.369 -7.949 6.390 1.00 0.00 C ATOM 276 O ASP A 20 -6.532 -7.045 6.384 1.00 0.00 O ATOM 277 CB ASP A 20 -7.158 -9.953 7.860 1.00 0.00 C ATOM 278 CG ASP A 20 -7.525 -11.424 7.863 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.636 -11.759 7.400 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.706 -12.242 8.330 1.00 0.00 O ATOM 0 H ASP A 20 -5.120 -8.609 5.796 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.516 -9.997 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.255 -9.807 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.952 -9.384 8.343 1.00 0.00 H new ATOM 285 N PRO A 21 -8.680 -7.692 6.347 1.00 0.00 N ATOM 286 CA PRO A 21 -9.205 -6.333 6.317 1.00 0.00 C ATOM 287 C PRO A 21 -9.070 -5.666 7.680 1.00 0.00 C ATOM 288 O PRO A 21 -10.059 -5.205 8.246 1.00 0.00 O ATOM 289 CB PRO A 21 -10.672 -6.548 5.965 1.00 0.00 C ATOM 290 CG PRO A 21 -10.995 -7.884 6.515 1.00 0.00 C ATOM 291 CD PRO A 21 -9.756 -8.698 6.321 1.00 0.00 C ATOM 0 HA PRO A 21 -8.680 -5.683 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.303 -5.775 6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.830 -6.514 4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.264 -7.821 7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.844 -8.329 5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.633 -9.438 7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.776 -9.241 5.376 1.00 0.00 H new ATOM 299 N ASP A 22 -7.830 -5.599 8.187 1.00 0.00 N ATOM 300 CA ASP A 22 -7.567 -5.024 9.514 1.00 0.00 C ATOM 301 C ASP A 22 -6.108 -5.194 9.976 1.00 0.00 C ATOM 302 O ASP A 22 -5.681 -4.526 10.917 1.00 0.00 O ATOM 303 CB ASP A 22 -8.463 -5.706 10.556 1.00 0.00 C ATOM 304 CG ASP A 22 -8.376 -5.058 11.925 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.315 -5.175 12.573 1.00 0.00 O ATOM 306 OD2 ASP A 22 -9.374 -4.440 12.353 1.00 0.00 O ATOM 0 H ASP A 22 -6.998 -5.934 7.701 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.775 -3.958 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.497 -5.679 10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.182 -6.756 10.638 1.00 0.00 H new ATOM 311 N THR A 23 -5.338 -6.067 9.325 1.00 0.00 N ATOM 312 CA THR A 23 -3.967 -6.332 9.755 1.00 0.00 C ATOM 313 C THR A 23 -2.901 -5.594 8.946 1.00 0.00 C ATOM 314 O THR A 23 -1.758 -5.544 9.385 1.00 0.00 O ATOM 315 CB THR A 23 -3.672 -7.834 9.680 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.406 -8.122 10.282 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.675 -8.303 8.234 1.00 0.00 C ATOM 0 H THR A 23 -5.637 -6.597 8.507 1.00 0.00 H new ATOM 0 HA THR A 23 -3.910 -5.962 10.779 1.00 0.00 H new ATOM 0 HB THR A 23 -4.452 -8.366 10.225 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.383 -9.061 10.563 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.464 -9.372 8.198 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.652 -8.111 7.791 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.911 -7.763 7.675 1.00 0.00 H new ATOM 325 N PHE A 24 -3.283 -5.082 7.766 1.00 0.00 N ATOM 326 CA PHE A 24 -2.393 -4.332 6.847 1.00 0.00 C ATOM 327 C PHE A 24 -2.070 -5.180 5.616 1.00 0.00 C ATOM 328 O PHE A 24 -1.053 -5.874 5.581 1.00 0.00 O ATOM 329 CB PHE A 24 -1.070 -3.855 7.482 1.00 0.00 C ATOM 330 CG PHE A 24 -1.160 -2.625 8.370 1.00 0.00 C ATOM 331 CD1 PHE A 24 -1.783 -2.656 9.616 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.580 -1.431 7.960 1.00 0.00 C ATOM 333 CE1 PHE A 24 -1.826 -1.530 10.416 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.617 -0.306 8.763 1.00 0.00 C ATOM 335 CZ PHE A 24 -1.242 -0.355 9.990 1.00 0.00 C ATOM 0 H PHE A 24 -4.235 -5.176 7.411 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.952 -3.436 6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.657 -4.674 8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.360 -3.649 6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.238 -3.572 9.961 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.092 -1.381 6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.318 -1.570 11.377 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.156 0.611 8.428 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.275 0.524 10.617 1.00 0.00 H new ATOM 345 N GLU A 25 -2.934 -5.122 4.612 1.00 0.00 N ATOM 346 CA GLU A 25 -2.736 -5.888 3.378 1.00 0.00 C ATOM 347 C GLU A 25 -1.583 -5.351 2.517 1.00 0.00 C ATOM 348 O GLU A 25 -0.797 -6.130 1.978 1.00 0.00 O ATOM 349 CB GLU A 25 -4.015 -5.859 2.533 1.00 0.00 C ATOM 350 CG GLU A 25 -5.277 -6.208 3.288 1.00 0.00 C ATOM 351 CD GLU A 25 -5.348 -7.669 3.649 1.00 0.00 C ATOM 352 OE1 GLU A 25 -4.387 -8.169 4.272 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.361 -8.318 3.311 1.00 0.00 O ATOM 0 H GLU A 25 -3.781 -4.554 4.623 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.487 -6.904 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.128 -4.864 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.901 -6.554 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.330 -5.609 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.144 -5.944 2.682 1.00 0.00 H new ATOM 360 N PRO A 26 -1.466 -4.021 2.373 1.00 0.00 N ATOM 361 CA PRO A 26 -0.437 -3.405 1.540 1.00 0.00 C ATOM 362 C PRO A 26 0.927 -3.259 2.212 1.00 0.00 C ATOM 363 O PRO A 26 1.934 -3.750 1.706 1.00 0.00 O ATOM 364 CB PRO A 26 -1.009 -2.023 1.227 1.00 0.00 C ATOM 365 CG PRO A 26 -2.086 -1.766 2.227 1.00 0.00 C ATOM 366 CD PRO A 26 -2.321 -3.022 3.011 1.00 0.00 C ATOM 0 HA PRO A 26 -0.236 -4.030 0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.233 -1.260 1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.407 -1.990 0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.797 -0.953 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.003 -1.457 1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.059 -2.889 4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.369 -3.319 2.979 1.00 0.00 H new ATOM 374 N GLN A 27 0.955 -2.581 3.349 1.00 0.00 N ATOM 375 CA GLN A 27 2.211 -2.335 4.062 1.00 0.00 C ATOM 376 C GLN A 27 2.968 -3.618 4.383 1.00 0.00 C ATOM 377 O GLN A 27 4.190 -3.672 4.249 1.00 0.00 O ATOM 378 CB GLN A 27 1.952 -1.581 5.355 1.00 0.00 C ATOM 379 CG GLN A 27 1.352 -0.204 5.148 1.00 0.00 C ATOM 380 CD GLN A 27 2.278 0.712 4.371 1.00 0.00 C ATOM 381 OE1 GLN A 27 3.194 1.362 5.079 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 2.179 0.822 3.149 1.00 0.00 N flip ATOM 0 H GLN A 27 0.128 -2.190 3.801 1.00 0.00 H new ATOM 0 HA GLN A 27 2.829 -1.737 3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.281 -2.170 5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.890 -1.481 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.406 -0.298 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.130 0.243 6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.459 0.303 2.647 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.817 1.433 2.639 1.00 0.00 H new ATOM 391 N LYS A 28 2.250 -4.646 4.806 1.00 0.00 N ATOM 392 CA LYS A 28 2.871 -5.897 5.155 1.00 0.00 C ATOM 393 C LYS A 28 3.523 -6.503 3.924 1.00 0.00 C ATOM 394 O LYS A 28 4.645 -7.007 3.978 1.00 0.00 O ATOM 395 CB LYS A 28 1.819 -6.821 5.736 1.00 0.00 C ATOM 396 CG LYS A 28 1.475 -6.508 7.178 1.00 0.00 C ATOM 397 CD LYS A 28 1.162 -7.773 7.957 1.00 0.00 C ATOM 398 CE LYS A 28 0.871 -7.464 9.412 1.00 0.00 C ATOM 399 NZ LYS A 28 2.069 -6.930 10.116 1.00 0.00 N ATOM 0 H LYS A 28 1.236 -4.631 4.913 1.00 0.00 H new ATOM 0 HA LYS A 28 3.649 -5.741 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.914 -6.755 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.173 -7.850 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.308 -5.986 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.618 -5.836 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.304 -8.275 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.004 -8.462 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.060 -6.738 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.528 -8.369 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.908 -6.954 11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.898 -7.513 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.240 -5.949 9.815 1.00 0.00 H new ATOM 413 N PHE A 29 2.802 -6.447 2.818 1.00 0.00 N ATOM 414 CA PHE A 29 3.298 -6.938 1.541 1.00 0.00 C ATOM 415 C PHE A 29 4.648 -6.302 1.247 1.00 0.00 C ATOM 416 O PHE A 29 5.632 -6.979 0.947 1.00 0.00 O ATOM 417 CB PHE A 29 2.290 -6.552 0.443 1.00 0.00 C ATOM 418 CG PHE A 29 2.617 -7.032 -0.953 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.793 -6.668 -1.593 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.723 -7.843 -1.631 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.060 -7.110 -2.877 1.00 0.00 C ATOM 422 CE2 PHE A 29 1.987 -8.285 -2.910 1.00 0.00 C ATOM 423 CZ PHE A 29 3.157 -7.918 -3.534 1.00 0.00 C ATOM 0 H PHE A 29 1.859 -6.061 2.778 1.00 0.00 H new ATOM 0 HA PHE A 29 3.414 -8.021 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.312 -6.944 0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.204 -5.466 0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.506 -6.035 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.802 -8.135 -1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.979 -6.821 -3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.277 -8.918 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.367 -8.262 -4.536 1.00 0.00 H new ATOM 433 N PHE A 30 4.658 -4.983 1.346 1.00 0.00 N ATOM 434 CA PHE A 30 5.835 -4.184 1.063 1.00 0.00 C ATOM 435 C PHE A 30 6.925 -4.326 2.123 1.00 0.00 C ATOM 436 O PHE A 30 8.030 -4.771 1.834 1.00 0.00 O ATOM 437 CB PHE A 30 5.441 -2.709 0.967 1.00 0.00 C ATOM 438 CG PHE A 30 4.057 -2.458 0.442 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.482 -3.296 -0.500 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.324 -1.379 0.909 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.200 -3.058 -0.962 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.046 -1.137 0.449 1.00 0.00 C ATOM 443 CZ PHE A 30 1.483 -1.977 -0.488 1.00 0.00 C ATOM 0 H PHE A 30 3.845 -4.435 1.627 1.00 0.00 H new ATOM 0 HA PHE A 30 6.240 -4.550 0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.526 -2.260 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.157 -2.198 0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.039 -4.141 -0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.759 -0.718 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.759 -3.718 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.488 -0.291 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.483 -1.790 -0.851 1.00 0.00 H new ATOM 453 N GLN A 31 6.574 -3.998 3.365 1.00 0.00 N ATOM 454 CA GLN A 31 7.527 -3.981 4.475 1.00 0.00 C ATOM 455 C GLN A 31 8.254 -5.294 4.699 1.00 0.00 C ATOM 456 O GLN A 31 9.465 -5.388 4.498 1.00 0.00 O ATOM 457 CB GLN A 31 6.804 -3.593 5.764 1.00 0.00 C ATOM 458 CG GLN A 31 7.752 -3.199 6.881 1.00 0.00 C ATOM 459 CD GLN A 31 8.768 -2.178 6.417 1.00 0.00 C ATOM 460 OE1 GLN A 31 9.843 -2.662 5.807 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.584 -0.973 6.589 1.00 0.00 N flip ATOM 0 H GLN A 31 5.624 -3.737 3.631 1.00 0.00 H new ATOM 0 HA GLN A 31 8.286 -3.248 4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.128 -2.763 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.189 -4.430 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.182 -2.792 7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.269 -4.085 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.742 -0.648 7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.274 -0.299 6.257 1.00 0.00 H new ATOM 470 N THR A 32 7.521 -6.298 5.113 1.00 0.00 N ATOM 471 CA THR A 32 8.115 -7.593 5.408 1.00 0.00 C ATOM 472 C THR A 32 9.037 -8.081 4.287 1.00 0.00 C ATOM 473 O THR A 32 10.212 -8.366 4.522 1.00 0.00 O ATOM 474 CB THR A 32 7.026 -8.648 5.692 1.00 0.00 C ATOM 475 OG1 THR A 32 6.282 -8.277 6.858 1.00 0.00 O ATOM 476 CG2 THR A 32 7.632 -10.032 5.895 1.00 0.00 C ATOM 0 H THR A 32 6.512 -6.251 5.255 1.00 0.00 H new ATOM 0 HA THR A 32 8.725 -7.459 6.302 1.00 0.00 H new ATOM 0 HB THR A 32 6.364 -8.688 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.591 -8.949 7.033 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.838 -10.752 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.174 -10.327 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.319 -10.008 6.741 1.00 0.00 H new ATOM 484 N SER A 33 8.504 -8.176 3.075 1.00 0.00 N ATOM 485 CA SER A 33 9.274 -8.672 1.937 1.00 0.00 C ATOM 486 C SER A 33 10.221 -7.637 1.333 1.00 0.00 C ATOM 487 O SER A 33 11.427 -7.865 1.234 1.00 0.00 O ATOM 488 CB SER A 33 8.328 -9.200 0.862 1.00 0.00 C ATOM 489 OG SER A 33 9.047 -9.789 -0.207 1.00 0.00 O ATOM 0 H SER A 33 7.543 -7.917 2.853 1.00 0.00 H new ATOM 0 HA SER A 33 9.904 -9.475 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.652 -9.935 1.298 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.711 -8.385 0.484 1.00 0.00 H new ATOM 0 HG SER A 33 9.257 -9.105 -0.876 1.00 0.00 H new ATOM 495 N GLY A 34 9.663 -6.505 0.928 1.00 0.00 N ATOM 496 CA GLY A 34 10.469 -5.508 0.247 1.00 0.00 C ATOM 497 C GLY A 34 11.014 -4.342 1.068 1.00 0.00 C ATOM 498 O GLY A 34 12.215 -4.235 1.284 1.00 0.00 O ATOM 0 H GLY A 34 8.681 -6.260 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.316 -6.019 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.871 -5.094 -0.565 1.00 0.00 H new ATOM 502 N LEU A 35 10.141 -3.493 1.562 1.00 0.00 N ATOM 503 CA LEU A 35 10.557 -2.284 2.254 1.00 0.00 C ATOM 504 C LEU A 35 11.602 -2.534 3.349 1.00 0.00 C ATOM 505 O LEU A 35 12.484 -1.702 3.561 1.00 0.00 O ATOM 506 CB LEU A 35 9.321 -1.592 2.829 1.00 0.00 C ATOM 507 CG LEU A 35 9.029 -0.205 2.262 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.986 -0.240 0.738 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.716 0.320 2.819 1.00 0.00 C ATOM 0 H LEU A 35 9.130 -3.615 1.499 1.00 0.00 H new ATOM 0 HA LEU A 35 11.048 -1.640 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.454 -2.228 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.441 -1.507 3.909 1.00 0.00 H new ATOM 0 HG LEU A 35 9.833 0.467 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.776 0.759 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.948 -0.580 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.203 -0.924 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.517 1.310 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.907 -0.357 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.781 0.384 3.905 1.00 0.00 H new ATOM 521 N SER A 36 11.491 -3.667 4.042 1.00 0.00 N ATOM 522 CA SER A 36 12.422 -4.024 5.129 1.00 0.00 C ATOM 523 C SER A 36 13.851 -3.499 4.920 1.00 0.00 C ATOM 524 O SER A 36 14.462 -2.982 5.855 1.00 0.00 O ATOM 525 CB SER A 36 12.463 -5.544 5.294 1.00 0.00 C ATOM 526 OG SER A 36 13.322 -5.917 6.357 1.00 0.00 O ATOM 0 H SER A 36 10.763 -4.362 3.874 1.00 0.00 H new ATOM 0 HA SER A 36 12.039 -3.542 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.458 -5.920 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.805 -6.005 4.367 1.00 0.00 H new ATOM 0 HG SER A 36 13.330 -6.893 6.444 1.00 0.00 H new ATOM 532 N LYS A 37 14.381 -3.626 3.711 1.00 0.00 N ATOM 533 CA LYS A 37 15.746 -3.151 3.426 1.00 0.00 C ATOM 534 C LYS A 37 15.853 -2.454 2.059 1.00 0.00 C ATOM 535 O LYS A 37 16.785 -1.686 1.814 1.00 0.00 O ATOM 536 CB LYS A 37 16.727 -4.323 3.481 1.00 0.00 C ATOM 537 CG LYS A 37 16.788 -5.004 4.835 1.00 0.00 C ATOM 538 CD LYS A 37 17.674 -6.239 4.798 1.00 0.00 C ATOM 539 CE LYS A 37 17.753 -6.913 6.159 1.00 0.00 C ATOM 540 NZ LYS A 37 18.548 -8.172 6.109 1.00 0.00 N ATOM 0 H LYS A 37 13.901 -4.047 2.915 1.00 0.00 H new ATOM 0 HA LYS A 37 15.996 -2.415 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.444 -5.058 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.723 -3.965 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.169 -4.304 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.782 -5.286 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.285 -6.945 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.676 -5.959 4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.202 -6.228 6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.746 -7.133 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.578 -8.601 7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.105 -8.836 5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.516 -7.959 5.794 1.00 0.00 H new ATOM 554 N MET A 38 14.896 -2.731 1.189 1.00 0.00 N ATOM 555 CA MET A 38 14.836 -2.187 -0.152 1.00 0.00 C ATOM 556 C MET A 38 15.111 -0.687 -0.241 1.00 0.00 C ATOM 557 O MET A 38 14.999 0.046 0.740 1.00 0.00 O ATOM 558 CB MET A 38 13.450 -2.486 -0.669 1.00 0.00 C ATOM 559 CG MET A 38 13.256 -3.917 -1.152 1.00 0.00 C ATOM 560 SD MET A 38 14.278 -5.175 -0.330 1.00 0.00 S ATOM 561 CE MET A 38 15.655 -5.303 -1.467 1.00 0.00 C ATOM 0 H MET A 38 14.120 -3.357 1.404 1.00 0.00 H new ATOM 0 HA MET A 38 15.625 -2.649 -0.746 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.728 -2.281 0.121 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.226 -1.805 -1.490 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.208 -4.186 -1.021 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.463 -3.951 -2.222 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.598 -6.251 -2.002 1.00 0.00 H new ATOM 0 HE2 MET A 38 15.615 -4.480 -2.181 1.00 0.00 H new ATOM 0 HE3 MET A 38 16.591 -5.256 -0.911 1.00 0.00 H new ATOM 571 N SER A 39 15.474 -0.253 -1.454 1.00 0.00 N ATOM 572 CA SER A 39 15.777 1.143 -1.746 1.00 0.00 C ATOM 573 C SER A 39 14.510 1.978 -1.938 1.00 0.00 C ATOM 574 O SER A 39 13.423 1.440 -2.144 1.00 0.00 O ATOM 575 CB SER A 39 16.629 1.230 -3.012 1.00 0.00 C ATOM 576 OG SER A 39 17.831 0.492 -2.870 1.00 0.00 O ATOM 0 H SER A 39 15.565 -0.869 -2.262 1.00 0.00 H new ATOM 0 HA SER A 39 16.320 1.545 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.063 0.849 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.862 2.273 -3.226 1.00 0.00 H new ATOM 0 HG SER A 39 18.357 0.562 -3.694 1.00 0.00 H new ATOM 582 N ALA A 40 14.669 3.298 -1.871 1.00 0.00 N ATOM 583 CA ALA A 40 13.552 4.221 -2.059 1.00 0.00 C ATOM 584 C ALA A 40 12.983 4.137 -3.477 1.00 0.00 C ATOM 585 O ALA A 40 11.774 4.037 -3.668 1.00 0.00 O ATOM 586 CB ALA A 40 13.977 5.650 -1.752 1.00 0.00 C ATOM 0 H ALA A 40 15.563 3.753 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 40 12.767 3.926 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.130 6.321 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.317 5.714 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.789 5.939 -2.419 1.00 0.00 H new ATOM 592 N SER A 41 13.870 4.177 -4.469 1.00 0.00 N ATOM 593 CA SER A 41 13.469 4.153 -5.873 1.00 0.00 C ATOM 594 C SER A 41 12.460 3.055 -6.176 1.00 0.00 C ATOM 595 O SER A 41 11.349 3.330 -6.628 1.00 0.00 O ATOM 596 CB SER A 41 14.699 3.973 -6.763 1.00 0.00 C ATOM 597 OG SER A 41 15.446 2.831 -6.379 1.00 0.00 O ATOM 0 H SER A 41 14.878 4.227 -4.324 1.00 0.00 H new ATOM 0 HA SER A 41 12.986 5.108 -6.082 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.388 3.874 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.329 4.861 -6.702 1.00 0.00 H new ATOM 0 HG SER A 41 16.226 2.738 -6.965 1.00 0.00 H new ATOM 603 N GLN A 42 12.846 1.817 -5.924 1.00 0.00 N ATOM 604 CA GLN A 42 11.968 0.684 -6.197 1.00 0.00 C ATOM 605 C GLN A 42 10.612 0.876 -5.533 1.00 0.00 C ATOM 606 O GLN A 42 9.594 0.388 -6.021 1.00 0.00 O ATOM 607 CB GLN A 42 12.613 -0.612 -5.728 1.00 0.00 C ATOM 608 CG GLN A 42 12.916 -0.636 -4.258 1.00 0.00 C ATOM 609 CD GLN A 42 13.063 -2.050 -3.777 1.00 0.00 C ATOM 610 OE1 GLN A 42 14.174 -2.575 -3.700 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.935 -2.673 -3.453 1.00 0.00 N ATOM 0 H GLN A 42 13.755 1.567 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 42 11.812 0.625 -7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.951 -1.445 -5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.538 -0.770 -6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.833 -0.081 -4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.117 -0.139 -3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.042 -2.187 -3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.962 -3.637 -3.120 1.00 0.00 H new ATOM 620 N VAL A 43 10.608 1.615 -4.436 1.00 0.00 N ATOM 621 CA VAL A 43 9.367 1.868 -3.714 1.00 0.00 C ATOM 622 C VAL A 43 8.363 2.570 -4.620 1.00 0.00 C ATOM 623 O VAL A 43 7.155 2.374 -4.489 1.00 0.00 O ATOM 624 CB VAL A 43 9.561 2.692 -2.436 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.237 2.827 -1.711 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.600 2.044 -1.540 1.00 0.00 C ATOM 0 H VAL A 43 11.437 2.046 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 43 8.989 0.892 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 43 9.919 3.686 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.378 3.413 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.517 3.328 -2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.863 1.837 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.726 2.642 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.271 1.041 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.551 1.983 -2.070 1.00 0.00 H new ATOM 636 N LYS A 44 8.865 3.396 -5.539 1.00 0.00 N ATOM 637 CA LYS A 44 7.996 4.090 -6.482 1.00 0.00 C ATOM 638 C LYS A 44 7.105 3.084 -7.188 1.00 0.00 C ATOM 639 O LYS A 44 5.909 3.310 -7.365 1.00 0.00 O ATOM 640 CB LYS A 44 8.816 4.866 -7.509 1.00 0.00 C ATOM 641 CG LYS A 44 9.312 6.202 -6.995 1.00 0.00 C ATOM 642 CD LYS A 44 10.762 6.435 -7.369 1.00 0.00 C ATOM 643 CE LYS A 44 10.976 6.313 -8.862 1.00 0.00 C ATOM 644 NZ LYS A 44 12.403 6.511 -9.238 1.00 0.00 N ATOM 0 H LYS A 44 9.859 3.598 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 44 7.381 4.800 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.671 4.262 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.209 5.030 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.696 7.003 -7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.204 6.239 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.070 7.426 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.393 5.714 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.646 5.330 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.359 7.049 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.506 6.419 -10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.712 7.459 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.989 5.793 -8.766 1.00 0.00 H new ATOM 658 N ASP A 45 7.705 1.967 -7.588 1.00 0.00 N ATOM 659 CA ASP A 45 6.970 0.908 -8.243 1.00 0.00 C ATOM 660 C ASP A 45 5.988 0.309 -7.254 1.00 0.00 C ATOM 661 O ASP A 45 4.836 0.028 -7.586 1.00 0.00 O ATOM 662 CB ASP A 45 7.933 -0.159 -8.751 1.00 0.00 C ATOM 663 CG ASP A 45 8.097 -0.123 -10.257 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.290 -0.772 -10.958 1.00 0.00 O ATOM 665 OD2 ASP A 45 9.031 0.552 -10.737 1.00 0.00 O ATOM 0 H ASP A 45 8.700 1.778 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 45 6.425 1.309 -9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.906 -0.020 -8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.571 -1.143 -8.452 1.00 0.00 H new ATOM 670 N ILE A 46 6.463 0.118 -6.025 1.00 0.00 N ATOM 671 CA ILE A 46 5.638 -0.408 -4.960 1.00 0.00 C ATOM 672 C ILE A 46 4.382 0.455 -4.821 1.00 0.00 C ATOM 673 O ILE A 46 3.262 -0.047 -4.879 1.00 0.00 O ATOM 674 CB ILE A 46 6.449 -0.467 -3.644 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.246 -1.762 -3.606 1.00 0.00 C ATOM 676 CG2 ILE A 46 5.572 -0.351 -2.403 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.071 -2.021 -4.849 1.00 0.00 C ATOM 0 H ILE A 46 7.423 0.324 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 46 5.325 -1.425 -5.195 1.00 0.00 H new ATOM 0 HB ILE A 46 7.120 0.392 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.909 -1.742 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.558 -2.595 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.196 -0.399 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.038 0.599 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.853 -1.170 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.608 -2.963 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.414 -2.076 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.786 -1.210 -4.986 1.00 0.00 H new ATOM 689 N PHE A 47 4.589 1.756 -4.614 1.00 0.00 N ATOM 690 CA PHE A 47 3.492 2.727 -4.502 1.00 0.00 C ATOM 691 C PHE A 47 2.379 2.413 -5.498 1.00 0.00 C ATOM 692 O PHE A 47 1.194 2.467 -5.174 1.00 0.00 O ATOM 693 CB PHE A 47 4.054 4.137 -4.765 1.00 0.00 C ATOM 694 CG PHE A 47 3.063 5.146 -5.301 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.005 5.594 -4.526 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.197 5.639 -6.590 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.101 6.514 -5.029 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.298 6.558 -7.096 1.00 0.00 C ATOM 699 CZ PHE A 47 1.249 6.996 -6.314 1.00 0.00 C ATOM 0 H PHE A 47 5.517 2.169 -4.519 1.00 0.00 H new ATOM 0 HA PHE A 47 3.066 2.673 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.470 4.522 -3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.879 4.054 -5.472 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.885 5.222 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.016 5.300 -7.207 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.280 6.855 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.416 6.933 -8.102 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.545 7.715 -6.707 1.00 0.00 H new ATOM 709 N ARG A 48 2.792 2.091 -6.705 1.00 0.00 N ATOM 710 CA ARG A 48 1.861 1.787 -7.781 1.00 0.00 C ATOM 711 C ARG A 48 0.865 0.705 -7.372 1.00 0.00 C ATOM 712 O ARG A 48 -0.215 0.600 -7.953 1.00 0.00 O ATOM 713 CB ARG A 48 2.623 1.370 -9.030 1.00 0.00 C ATOM 714 CG ARG A 48 3.733 2.338 -9.388 1.00 0.00 C ATOM 715 CD ARG A 48 3.239 3.778 -9.414 1.00 0.00 C ATOM 716 NE ARG A 48 2.278 4.004 -10.488 1.00 0.00 N ATOM 717 CZ ARG A 48 2.626 4.250 -11.747 1.00 0.00 C ATOM 718 NH1 ARG A 48 3.907 4.285 -12.090 1.00 0.00 N ATOM 719 NH2 ARG A 48 1.693 4.452 -12.665 1.00 0.00 N ATOM 0 H ARG A 48 3.775 2.032 -6.971 1.00 0.00 H new ATOM 0 HA ARG A 48 1.291 2.690 -7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.047 0.378 -8.878 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.928 1.295 -9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.544 2.245 -8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.143 2.076 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.777 4.021 -8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.088 4.451 -9.539 1.00 0.00 H new ATOM 0 HE ARG A 48 1.284 3.971 -10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.628 4.123 -11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.171 4.474 -13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.707 4.419 -12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.960 4.641 -13.631 1.00 0.00 H new ATOM 733 N PHE A 49 1.227 -0.099 -6.377 1.00 0.00 N ATOM 734 CA PHE A 49 0.341 -1.158 -5.908 1.00 0.00 C ATOM 735 C PHE A 49 -0.986 -0.567 -5.471 1.00 0.00 C ATOM 736 O PHE A 49 -2.036 -0.932 -5.995 1.00 0.00 O ATOM 737 CB PHE A 49 0.959 -1.941 -4.749 1.00 0.00 C ATOM 738 CG PHE A 49 0.125 -3.121 -4.318 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.160 -4.304 -5.037 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.696 -3.047 -3.198 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.604 -5.391 -4.650 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.460 -4.130 -2.807 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.415 -5.303 -3.536 1.00 0.00 C ATOM 0 H PHE A 49 2.118 -0.039 -5.884 1.00 0.00 H new ATOM 0 HA PHE A 49 0.184 -1.849 -6.737 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.949 -2.291 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.097 -1.272 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.791 -4.379 -5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.737 -2.131 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.566 -6.308 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.091 -4.060 -1.933 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.014 -6.150 -3.235 1.00 0.00 H new ATOM 753 N ILE A 50 -0.937 0.341 -4.498 1.00 0.00 N ATOM 754 CA ILE A 50 -2.147 0.982 -4.016 1.00 0.00 C ATOM 755 C ILE A 50 -2.833 1.742 -5.156 1.00 0.00 C ATOM 756 O ILE A 50 -2.701 1.354 -6.316 1.00 0.00 O ATOM 757 CB ILE A 50 -1.868 1.885 -2.784 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.709 2.862 -3.013 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.572 1.011 -1.584 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.416 3.720 -1.790 1.00 0.00 C ATOM 0 H ILE A 50 -0.080 0.643 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.834 0.209 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.760 2.488 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.186 2.301 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.946 3.509 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.375 1.640 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.429 0.370 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.698 0.394 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.413 4.393 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.300 4.304 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.151 3.078 -0.950 1.00 0.00 H new ATOM 772 N ASP A 51 -3.554 2.817 -4.863 1.00 0.00 N ATOM 773 CA ASP A 51 -4.252 3.545 -5.909 1.00 0.00 C ATOM 774 C ASP A 51 -3.274 4.116 -6.942 1.00 0.00 C ATOM 775 O ASP A 51 -2.073 4.214 -6.688 1.00 0.00 O ATOM 776 CB ASP A 51 -5.134 4.619 -5.277 1.00 0.00 C ATOM 777 CG ASP A 51 -6.393 4.017 -4.683 1.00 0.00 C ATOM 778 OD1 ASP A 51 -7.371 3.824 -5.436 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.401 3.737 -3.467 1.00 0.00 O ATOM 0 H ASP A 51 -3.669 3.198 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.897 2.859 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.576 5.140 -4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.403 5.361 -6.029 1.00 0.00 H new ATOM 784 N ASN A 52 -3.803 4.492 -8.108 1.00 0.00 N ATOM 785 CA ASN A 52 -2.992 4.999 -9.221 1.00 0.00 C ATOM 786 C ASN A 52 -2.915 6.526 -9.257 1.00 0.00 C ATOM 787 O ASN A 52 -3.087 7.131 -10.313 1.00 0.00 O ATOM 788 CB ASN A 52 -3.555 4.475 -10.546 1.00 0.00 C ATOM 789 CG ASN A 52 -2.713 4.872 -11.744 1.00 0.00 C ATOM 790 OD1 ASN A 52 -2.958 5.898 -12.379 1.00 0.00 O ATOM 791 ND2 ASN A 52 -1.718 4.054 -12.065 1.00 0.00 N ATOM 0 H ASN A 52 -4.802 4.455 -8.309 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.976 4.636 -9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.624 3.388 -10.501 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.568 4.853 -10.679 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.122 4.266 -12.865 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.550 3.214 -11.512 1.00 0.00 H new ATOM 798 N ASP A 53 -2.673 7.143 -8.104 1.00 0.00 N ATOM 799 CA ASP A 53 -2.574 8.606 -7.999 1.00 0.00 C ATOM 800 C ASP A 53 -3.955 9.229 -7.842 1.00 0.00 C ATOM 801 O ASP A 53 -4.185 10.024 -6.933 1.00 0.00 O ATOM 802 CB ASP A 53 -1.856 9.216 -9.209 1.00 0.00 C ATOM 803 CG ASP A 53 -0.597 8.457 -9.576 1.00 0.00 C ATOM 804 OD1 ASP A 53 0.440 8.672 -8.914 1.00 0.00 O ATOM 805 OD2 ASP A 53 -0.647 7.644 -10.524 1.00 0.00 O ATOM 0 H ASP A 53 -2.540 6.653 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.981 8.827 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.533 9.226 -10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.601 10.253 -8.992 1.00 0.00 H new ATOM 810 N GLN A 54 -4.874 8.869 -8.735 1.00 0.00 N ATOM 811 CA GLN A 54 -6.242 9.364 -8.681 1.00 0.00 C ATOM 812 C GLN A 54 -6.354 10.848 -9.034 1.00 0.00 C ATOM 813 O GLN A 54 -7.075 11.219 -9.959 1.00 0.00 O ATOM 814 CB GLN A 54 -6.808 9.104 -7.293 1.00 0.00 C ATOM 815 CG GLN A 54 -6.460 7.721 -6.757 1.00 0.00 C ATOM 816 CD GLN A 54 -6.873 7.505 -5.315 1.00 0.00 C ATOM 817 OE1 GLN A 54 -7.352 6.435 -4.963 1.00 0.00 O ATOM 818 NE2 GLN A 54 -6.666 8.502 -4.466 1.00 0.00 N ATOM 0 H GLN A 54 -4.691 8.231 -9.509 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.820 8.827 -9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.429 9.860 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.892 9.214 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.942 6.968 -7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.384 7.567 -6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.265 9.379 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.908 8.392 -3.481 1.00 0.00 H new ATOM 827 N SER A 55 -5.642 11.691 -8.297 1.00 0.00 N ATOM 828 CA SER A 55 -5.684 13.131 -8.527 1.00 0.00 C ATOM 829 C SER A 55 -4.406 13.796 -8.040 1.00 0.00 C ATOM 830 O SER A 55 -4.432 14.916 -7.530 1.00 0.00 O ATOM 831 CB SER A 55 -6.890 13.747 -7.814 1.00 0.00 C ATOM 832 OG SER A 55 -8.087 13.070 -8.161 1.00 0.00 O ATOM 0 H SER A 55 -5.028 11.403 -7.535 1.00 0.00 H new ATOM 0 HA SER A 55 -5.776 13.298 -9.600 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.742 13.701 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.974 14.801 -8.079 1.00 0.00 H new ATOM 0 HG SER A 55 -8.843 13.481 -7.692 1.00 0.00 H new ATOM 838 N GLY A 56 -3.286 13.103 -8.201 1.00 0.00 N ATOM 839 CA GLY A 56 -2.018 13.645 -7.755 1.00 0.00 C ATOM 840 C GLY A 56 -1.539 12.992 -6.476 1.00 0.00 C ATOM 841 O GLY A 56 -0.352 13.039 -6.152 1.00 0.00 O ATOM 0 H GLY A 56 -3.233 12.179 -8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.270 13.505 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.118 14.719 -7.598 1.00 0.00 H new ATOM 845 N TYR A 57 -2.467 12.378 -5.750 1.00 0.00 N ATOM 846 CA TYR A 57 -2.147 11.717 -4.490 1.00 0.00 C ATOM 847 C TYR A 57 -3.267 10.757 -4.117 1.00 0.00 C ATOM 848 O TYR A 57 -4.366 10.824 -4.666 1.00 0.00 O ATOM 849 CB TYR A 57 -1.959 12.738 -3.353 1.00 0.00 C ATOM 850 CG TYR A 57 -1.933 14.176 -3.803 1.00 0.00 C ATOM 851 CD1 TYR A 57 -0.754 14.803 -4.184 1.00 0.00 C ATOM 852 CD2 TYR A 57 -3.105 14.890 -3.857 1.00 0.00 C ATOM 853 CE1 TYR A 57 -0.756 16.119 -4.605 1.00 0.00 C ATOM 854 CE2 TYR A 57 -3.126 16.204 -4.280 1.00 0.00 C ATOM 855 CZ TYR A 57 -1.946 16.816 -4.653 1.00 0.00 C ATOM 856 OH TYR A 57 -1.958 18.126 -5.076 1.00 0.00 O ATOM 0 H TYR A 57 -3.451 12.324 -6.014 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.212 11.173 -4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.765 12.611 -2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.027 12.516 -2.833 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.176 14.255 -4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.029 14.414 -3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.167 16.599 -4.894 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.058 16.749 -4.319 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.876 18.469 -5.051 1.00 0.00 H new ATOM 866 N LEU A 58 -2.988 9.879 -3.173 1.00 0.00 N ATOM 867 CA LEU A 58 -3.979 8.918 -2.721 1.00 0.00 C ATOM 868 C LEU A 58 -4.553 9.387 -1.395 1.00 0.00 C ATOM 869 O LEU A 58 -3.855 10.041 -0.634 1.00 0.00 O ATOM 870 CB LEU A 58 -3.349 7.531 -2.604 1.00 0.00 C ATOM 871 CG LEU A 58 -2.508 7.122 -3.816 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.836 5.774 -3.592 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.365 7.094 -5.069 1.00 0.00 C ATOM 0 H LEU A 58 -2.085 9.810 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.791 8.847 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.721 7.503 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.140 6.795 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.722 7.866 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.246 5.511 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.183 5.833 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.597 5.012 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.753 6.802 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.175 6.376 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.784 8.085 -5.246 1.00 0.00 H new ATOM 885 N ASP A 59 -5.812 9.057 -1.101 1.00 0.00 N ATOM 886 CA ASP A 59 -6.423 9.516 0.139 1.00 0.00 C ATOM 887 C ASP A 59 -7.263 8.429 0.781 1.00 0.00 C ATOM 888 O ASP A 59 -7.902 7.621 0.108 1.00 0.00 O ATOM 889 CB ASP A 59 -7.268 10.755 -0.132 1.00 0.00 C ATOM 890 CG ASP A 59 -8.269 10.543 -1.249 1.00 0.00 C ATOM 891 OD1 ASP A 59 -7.841 10.205 -2.373 1.00 0.00 O ATOM 892 OD2 ASP A 59 -9.480 10.714 -1.000 1.00 0.00 O ATOM 0 H ASP A 59 -6.415 8.486 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.627 9.769 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.798 11.035 0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.613 11.588 -0.389 1.00 0.00 H new ATOM 897 N GLY A 60 -7.249 8.441 2.112 1.00 0.00 N ATOM 898 CA GLY A 60 -7.926 7.427 2.907 1.00 0.00 C ATOM 899 C GLY A 60 -9.286 7.040 2.377 1.00 0.00 C ATOM 900 O GLY A 60 -9.731 5.909 2.570 1.00 0.00 O ATOM 0 H GLY A 60 -6.770 9.152 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.298 6.537 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.036 7.793 3.928 1.00 0.00 H new ATOM 904 N ASP A 61 -9.951 7.976 1.723 1.00 0.00 N ATOM 905 CA ASP A 61 -11.267 7.719 1.164 1.00 0.00 C ATOM 906 C ASP A 61 -11.137 6.792 -0.029 1.00 0.00 C ATOM 907 O ASP A 61 -11.817 5.771 -0.142 1.00 0.00 O ATOM 908 CB ASP A 61 -11.911 9.029 0.713 1.00 0.00 C ATOM 909 CG ASP A 61 -11.975 10.057 1.825 1.00 0.00 C ATOM 910 OD1 ASP A 61 -12.981 10.069 2.566 1.00 0.00 O ATOM 911 OD2 ASP A 61 -11.021 10.852 1.955 1.00 0.00 O ATOM 0 H ASP A 61 -9.601 8.921 1.566 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.892 7.256 1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.346 9.439 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.919 8.828 0.349 1.00 0.00 H new ATOM 916 N GLU A 62 -10.239 7.186 -0.908 1.00 0.00 N ATOM 917 CA GLU A 62 -9.963 6.477 -2.140 1.00 0.00 C ATOM 918 C GLU A 62 -9.098 5.236 -1.923 1.00 0.00 C ATOM 919 O GLU A 62 -9.176 4.273 -2.685 1.00 0.00 O ATOM 920 CB GLU A 62 -9.284 7.430 -3.099 1.00 0.00 C ATOM 921 CG GLU A 62 -10.031 8.738 -3.268 1.00 0.00 C ATOM 922 CD GLU A 62 -11.336 8.573 -4.022 1.00 0.00 C ATOM 923 OE1 GLU A 62 -12.359 8.266 -3.374 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.335 8.751 -5.257 1.00 0.00 O ATOM 0 H GLU A 62 -9.670 8.023 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.909 6.124 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.276 7.638 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.184 6.947 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.235 9.165 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.397 9.448 -3.799 1.00 0.00 H new ATOM 931 N LEU A 63 -8.272 5.271 -0.884 1.00 0.00 N ATOM 932 CA LEU A 63 -7.353 4.175 -0.582 1.00 0.00 C ATOM 933 C LEU A 63 -8.000 2.802 -0.736 1.00 0.00 C ATOM 934 O LEU A 63 -7.392 1.891 -1.297 1.00 0.00 O ATOM 935 CB LEU A 63 -6.798 4.350 0.836 1.00 0.00 C ATOM 936 CG LEU A 63 -5.782 5.487 0.988 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.052 5.415 2.318 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.801 5.516 -0.184 1.00 0.00 C ATOM 0 H LEU A 63 -8.218 6.052 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.541 4.217 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.629 4.530 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.328 3.417 1.146 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.340 6.423 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.341 6.238 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.772 5.488 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.518 4.467 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.094 6.334 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.259 4.571 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.350 5.664 -1.114 1.00 0.00 H new ATOM 950 N LYS A 64 -9.222 2.641 -0.244 1.00 0.00 N ATOM 951 CA LYS A 64 -9.912 1.362 -0.347 1.00 0.00 C ATOM 952 C LYS A 64 -10.143 0.947 -1.799 1.00 0.00 C ATOM 953 O LYS A 64 -10.401 -0.223 -2.081 1.00 0.00 O ATOM 954 CB LYS A 64 -11.254 1.441 0.386 1.00 0.00 C ATOM 955 CG LYS A 64 -11.986 2.766 0.217 1.00 0.00 C ATOM 956 CD LYS A 64 -13.396 2.695 0.777 1.00 0.00 C ATOM 957 CE LYS A 64 -14.433 2.721 -0.323 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.819 2.649 0.216 1.00 0.00 N ATOM 0 H LYS A 64 -9.752 3.374 0.227 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.276 0.606 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.897 0.636 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.085 1.266 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.432 3.557 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.025 3.030 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.510 1.783 1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.562 3.533 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.318 3.634 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.264 1.884 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.417 2.101 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.806 2.185 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.204 3.610 0.314 1.00 0.00 H new ATOM 972 N TYR A 65 -10.052 1.900 -2.715 1.00 0.00 N ATOM 973 CA TYR A 65 -10.237 1.613 -4.134 1.00 0.00 C ATOM 974 C TYR A 65 -9.013 0.928 -4.741 1.00 0.00 C ATOM 975 O TYR A 65 -9.087 0.394 -5.845 1.00 0.00 O ATOM 976 CB TYR A 65 -10.537 2.898 -4.908 1.00 0.00 C ATOM 977 CG TYR A 65 -11.824 3.584 -4.492 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.758 2.934 -3.694 1.00 0.00 C ATOM 979 CD2 TYR A 65 -12.103 4.884 -4.897 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.929 3.556 -3.311 1.00 0.00 C ATOM 981 CE2 TYR A 65 -13.273 5.515 -4.517 1.00 0.00 C ATOM 982 CZ TYR A 65 -14.183 4.847 -3.725 1.00 0.00 C ATOM 983 OH TYR A 65 -15.349 5.472 -3.345 1.00 0.00 O ATOM 0 H TYR A 65 -9.852 2.878 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.084 0.932 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.708 3.592 -4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.589 2.665 -5.972 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.564 1.923 -3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.394 5.410 -5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.643 3.035 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.473 6.526 -4.839 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.372 6.377 -3.720 1.00 0.00 H new ATOM 993 N PHE A 66 -7.903 0.922 -4.007 1.00 0.00 N ATOM 994 CA PHE A 66 -6.660 0.351 -4.486 1.00 0.00 C ATOM 995 C PHE A 66 -6.865 -1.007 -5.170 1.00 0.00 C ATOM 996 O PHE A 66 -6.160 -1.342 -6.123 1.00 0.00 O ATOM 997 CB PHE A 66 -5.690 0.230 -3.301 1.00 0.00 C ATOM 998 CG PHE A 66 -5.930 -0.944 -2.395 1.00 0.00 C ATOM 999 CD1 PHE A 66 -7.204 -1.291 -1.995 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -4.873 -1.714 -1.960 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -7.415 -2.385 -1.184 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -5.081 -2.810 -1.150 1.00 0.00 C ATOM 1003 CZ PHE A 66 -6.349 -3.147 -0.765 1.00 0.00 C ATOM 0 H PHE A 66 -7.846 1.313 -3.067 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.243 1.011 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.673 0.167 -3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.749 1.143 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.046 -0.698 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.868 -1.455 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.418 -2.644 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.241 -3.403 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.513 -4.008 -0.134 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.823 -1.775 -4.682 1.00 0.00 N ATOM 1014 CA LEU A 67 -8.134 -3.077 -5.219 1.00 0.00 C ATOM 1015 C LEU A 67 -9.116 -2.957 -6.372 1.00 0.00 C ATOM 1016 O LEU A 67 -9.054 -3.705 -7.344 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.691 -3.952 -4.095 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.622 -4.643 -3.266 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.219 -5.271 -2.016 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.914 -5.668 -4.123 1.00 0.00 C ATOM 0 H LEU A 67 -8.410 -1.504 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.231 -3.542 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.305 -3.336 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.347 -4.708 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.894 -3.905 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.431 -5.758 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.686 -4.497 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.969 -6.009 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.145 -6.167 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.634 -6.405 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.451 -5.172 -4.976 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.982 -1.958 -6.282 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.999 -1.728 -7.292 1.00 0.00 C ATOM 1034 C GLN A 68 -10.398 -1.110 -8.543 1.00 0.00 C ATOM 1035 O GLN A 68 -11.107 -0.867 -9.520 1.00 0.00 O ATOM 1036 CB GLN A 68 -12.116 -0.833 -6.753 1.00 0.00 C ATOM 1037 CG GLN A 68 -13.379 -1.600 -6.402 1.00 0.00 C ATOM 1038 CD GLN A 68 -14.603 -0.710 -6.323 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -14.691 0.309 -7.009 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -15.556 -1.094 -5.482 1.00 0.00 N ATOM 0 H GLN A 68 -9.998 -1.290 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.424 -2.697 -7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.758 -0.310 -5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.355 -0.073 -7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.547 -2.376 -7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.239 -2.103 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.439 -1.946 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.405 -0.537 -5.384 1.00 0.00 H new ATOM 1049 N LYS A 69 -9.089 -0.853 -8.527 1.00 0.00 N ATOM 1050 CA LYS A 69 -8.432 -0.285 -9.669 1.00 0.00 C ATOM 1051 C LYS A 69 -8.257 -1.390 -10.689 1.00 0.00 C ATOM 1052 O LYS A 69 -8.614 -1.256 -11.858 1.00 0.00 O ATOM 1053 CB LYS A 69 -7.071 0.270 -9.249 1.00 0.00 C ATOM 1054 CG LYS A 69 -7.145 1.272 -8.109 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.077 2.434 -8.419 1.00 0.00 C ATOM 1056 CE LYS A 69 -7.835 3.003 -9.809 1.00 0.00 C ATOM 1057 NZ LYS A 69 -8.778 4.110 -10.130 1.00 0.00 N ATOM 0 H LYS A 69 -8.478 -1.034 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.018 0.530 -10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.427 -0.558 -8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.602 0.746 -10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.487 0.766 -7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.146 1.656 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.112 2.100 -8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.937 3.219 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.810 3.368 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.941 2.210 -10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.579 4.469 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.755 3.756 -10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.659 4.879 -9.439 1.00 0.00 H new ATOM 1071 N PHE A 70 -7.691 -2.492 -10.205 1.00 0.00 N ATOM 1072 CA PHE A 70 -7.445 -3.664 -11.030 1.00 0.00 C ATOM 1073 C PHE A 70 -8.512 -4.750 -10.841 1.00 0.00 C ATOM 1074 O PHE A 70 -9.045 -5.273 -11.819 1.00 0.00 O ATOM 1075 CB PHE A 70 -6.057 -4.260 -10.735 1.00 0.00 C ATOM 1076 CG PHE A 70 -5.368 -3.732 -9.503 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -5.712 -4.201 -8.243 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -4.375 -2.770 -9.606 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -5.081 -3.721 -7.113 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -3.740 -2.286 -8.478 1.00 0.00 C ATOM 1081 CZ PHE A 70 -4.094 -2.764 -7.230 1.00 0.00 C ATOM 0 H PHE A 70 -7.393 -2.595 -9.235 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.489 -3.325 -12.065 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.159 -5.341 -10.637 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.413 -4.078 -11.595 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.483 -4.951 -8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.094 -2.395 -10.579 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.360 -4.094 -6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.969 -1.536 -8.571 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.598 -2.388 -6.347 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.823 -5.090 -9.590 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.808 -6.144 -9.334 1.00 0.00 C ATOM 1093 C GLN A 71 -11.242 -5.604 -9.329 1.00 0.00 C ATOM 1094 O GLN A 71 -12.182 -6.355 -9.069 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.499 -6.900 -8.037 1.00 0.00 C ATOM 1096 CG GLN A 71 -9.848 -6.142 -6.775 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.405 -7.041 -5.693 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -9.675 -7.517 -4.823 1.00 0.00 O ATOM 1099 NE2 GLN A 71 -11.704 -7.289 -5.757 1.00 0.00 N ATOM 0 H GLN A 71 -8.419 -4.664 -8.756 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.732 -6.852 -10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.044 -7.844 -8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.437 -7.145 -8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.957 -5.637 -6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.578 -5.368 -7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.267 -6.871 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.142 -7.898 -5.066 1.00 0.00 H new ATOM 1108 N SER A 72 -11.389 -4.303 -9.634 1.00 0.00 N ATOM 1109 CA SER A 72 -12.687 -3.604 -9.688 1.00 0.00 C ATOM 1110 C SER A 72 -13.829 -4.346 -9.001 1.00 0.00 C ATOM 1111 O SER A 72 -14.832 -4.702 -9.619 1.00 0.00 O ATOM 1112 CB SER A 72 -13.065 -3.321 -11.131 1.00 0.00 C ATOM 1113 OG SER A 72 -14.202 -2.478 -11.208 1.00 0.00 O ATOM 0 H SER A 72 -10.598 -3.697 -9.853 1.00 0.00 H new ATOM 0 HA SER A 72 -12.546 -2.677 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.226 -2.851 -11.644 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.269 -4.259 -11.647 1.00 0.00 H new ATOM 0 HG SER A 72 -14.975 -2.935 -10.815 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.644 -4.563 -7.716 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.634 -5.218 -6.871 1.00 0.00 C ATOM 1121 C ASP A 73 -14.391 -4.812 -5.423 1.00 0.00 C ATOM 1122 O ASP A 73 -15.332 -4.531 -4.688 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.569 -6.741 -7.019 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.946 -7.367 -7.128 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -16.507 -7.380 -8.243 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -16.462 -7.847 -6.096 1.00 0.00 O ATOM 0 H ASP A 73 -12.796 -4.289 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.631 -4.903 -7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.986 -6.993 -7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.046 -7.165 -6.162 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.103 -4.817 -5.052 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.604 -4.440 -3.717 1.00 0.00 C ATOM 1133 C ALA A 74 -13.663 -4.325 -2.640 1.00 0.00 C ATOM 1134 O ALA A 74 -14.593 -3.525 -2.730 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.843 -3.134 -3.782 1.00 0.00 C ATOM 0 H ALA A 74 -12.356 -5.091 -5.690 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.956 -5.268 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.483 -2.873 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.995 -3.240 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.502 -2.347 -4.147 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.457 -5.074 -1.569 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.374 -5.040 -0.451 1.00 0.00 C ATOM 1143 C ARG A 75 -14.486 -3.617 0.094 1.00 0.00 C ATOM 1144 O ARG A 75 -15.432 -3.293 0.810 1.00 0.00 O ATOM 1145 CB ARG A 75 -13.909 -5.989 0.657 1.00 0.00 C ATOM 1146 CG ARG A 75 -12.541 -5.635 1.224 1.00 0.00 C ATOM 1147 CD ARG A 75 -11.466 -6.605 0.753 1.00 0.00 C ATOM 1148 NE ARG A 75 -10.119 -6.130 1.061 1.00 0.00 N ATOM 1149 CZ ARG A 75 -9.022 -6.853 0.862 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -9.116 -8.084 0.375 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -7.830 -6.349 1.151 1.00 0.00 N ATOM 0 H ARG A 75 -12.666 -5.708 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.354 -5.367 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.642 -5.980 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.879 -7.006 0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.274 -4.622 0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.586 -5.643 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.623 -7.575 1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.560 -6.754 -0.323 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.015 -5.193 1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.031 -8.476 0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.273 -8.638 0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.753 -5.404 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.990 -6.906 0.997 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.498 -2.780 -0.251 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.436 -1.381 0.161 1.00 0.00 C ATOM 1167 C GLU A 76 -12.653 -1.261 1.448 1.00 0.00 C ATOM 1168 O GLU A 76 -12.988 -0.491 2.347 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.816 -0.747 0.299 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.680 -0.931 -0.934 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.092 -0.411 -0.749 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.937 -1.164 -0.223 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.351 0.750 -1.130 1.00 0.00 O ATOM 0 H GLU A 76 -12.710 -3.065 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.924 -0.828 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.324 -1.181 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.702 0.318 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.217 -0.417 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.719 -1.990 -1.189 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.585 -2.031 1.482 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.670 -2.112 2.611 1.00 0.00 C ATOM 1182 C LEU A 77 -11.323 -1.895 3.962 1.00 0.00 C ATOM 1183 O LEU A 77 -10.662 -1.462 4.906 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.549 -1.110 2.385 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.552 -1.548 1.363 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.432 -0.547 1.279 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -8.012 -2.925 1.697 1.00 0.00 C ATOM 0 H LEU A 77 -11.319 -2.636 0.705 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.287 -3.132 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.981 -0.158 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.035 -0.934 3.330 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.047 -1.606 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.708 -0.873 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.834 0.426 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.941 -0.468 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.287 -3.225 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.527 -2.899 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.832 -3.642 1.718 1.00 0.00 H new ATOM 1199 N THR A 78 -12.593 -2.270 4.063 1.00 0.00 N ATOM 1200 CA THR A 78 -13.373 -2.108 5.288 1.00 0.00 C ATOM 1201 C THR A 78 -12.992 -0.834 6.035 1.00 0.00 C ATOM 1202 O THR A 78 -12.329 0.050 5.493 1.00 0.00 O ATOM 1203 CB THR A 78 -13.180 -3.310 6.230 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.876 -3.264 6.823 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.346 -4.616 5.471 1.00 0.00 C ATOM 0 H THR A 78 -13.114 -2.696 3.297 1.00 0.00 H new ATOM 0 HA THR A 78 -14.418 -2.043 4.985 1.00 0.00 H new ATOM 0 HB THR A 78 -13.937 -3.258 7.012 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.866 -3.814 7.634 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.206 -5.454 6.154 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.346 -4.662 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.605 -4.670 4.673 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.478 -0.706 7.246 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.128 0.417 8.064 1.00 0.00 C ATOM 1215 C GLU A 79 -11.651 0.319 8.443 1.00 0.00 C ATOM 1216 O GLU A 79 -10.902 1.294 8.386 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.001 0.429 9.314 1.00 0.00 C ATOM 1218 CG GLU A 79 -13.911 1.722 10.082 1.00 0.00 C ATOM 1219 CD GLU A 79 -14.696 1.692 11.379 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -15.897 2.039 11.355 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -14.111 1.322 12.419 1.00 0.00 O ATOM 0 H GLU A 79 -14.118 -1.370 7.682 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.293 1.344 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.038 0.254 9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.706 -0.395 9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.865 1.937 10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.280 2.536 9.458 1.00 0.00 H new ATOM 1228 N SER A 80 -11.261 -0.897 8.826 1.00 0.00 N ATOM 1229 CA SER A 80 -9.906 -1.202 9.286 1.00 0.00 C ATOM 1230 C SER A 80 -8.806 -1.240 8.210 1.00 0.00 C ATOM 1231 O SER A 80 -7.792 -0.566 8.371 1.00 0.00 O ATOM 1232 CB SER A 80 -9.907 -2.521 10.045 1.00 0.00 C ATOM 1233 OG SER A 80 -8.767 -2.627 10.877 1.00 0.00 O ATOM 0 H SER A 80 -11.883 -1.706 8.826 1.00 0.00 H new ATOM 0 HA SER A 80 -9.644 -0.357 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.811 -2.597 10.649 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.925 -3.351 9.339 1.00 0.00 H new ATOM 0 HG SER A 80 -9.048 -2.841 11.791 1.00 0.00 H new ATOM 1239 N GLU A 81 -8.967 -2.005 7.118 1.00 0.00 N ATOM 1240 CA GLU A 81 -7.882 -2.128 6.139 1.00 0.00 C ATOM 1241 C GLU A 81 -7.384 -0.785 5.609 1.00 0.00 C ATOM 1242 O GLU A 81 -6.173 -0.585 5.515 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.285 -3.037 4.972 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.168 -3.979 4.531 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.815 -3.293 4.475 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.624 -2.410 3.614 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -4.944 -3.637 5.304 1.00 0.00 O ATOM 0 H GLU A 81 -9.812 -2.532 6.897 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.052 -2.582 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.155 -3.626 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.586 -2.419 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.116 -4.822 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.407 -4.385 3.548 1.00 0.00 H new ATOM 1254 N THR A 82 -8.274 0.145 5.259 1.00 0.00 N ATOM 1255 CA THR A 82 -7.815 1.444 4.784 1.00 0.00 C ATOM 1256 C THR A 82 -6.845 2.062 5.785 1.00 0.00 C ATOM 1257 O THR A 82 -6.053 2.937 5.435 1.00 0.00 O ATOM 1258 CB THR A 82 -8.975 2.419 4.542 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.916 2.353 5.620 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.668 2.114 3.227 1.00 0.00 C ATOM 0 H THR A 82 -9.286 0.027 5.294 1.00 0.00 H new ATOM 0 HA THR A 82 -7.313 1.272 3.832 1.00 0.00 H new ATOM 0 HB THR A 82 -8.566 3.428 4.492 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.532 1.606 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.487 2.817 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.954 2.207 2.409 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.062 1.098 3.250 1.00 0.00 H new ATOM 1268 N LYS A 83 -6.911 1.604 7.038 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.004 2.084 8.060 1.00 0.00 C ATOM 1270 C LYS A 83 -4.575 1.833 7.604 1.00 0.00 C ATOM 1271 O LYS A 83 -3.685 2.654 7.821 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.266 1.376 9.379 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.466 1.943 10.531 1.00 0.00 C ATOM 1274 CD LYS A 83 -5.671 3.443 10.672 1.00 0.00 C ATOM 1275 CE LYS A 83 -4.890 4.000 11.851 1.00 0.00 C ATOM 1276 NZ LYS A 83 -5.051 5.474 11.977 1.00 0.00 N ATOM 0 H LYS A 83 -7.582 0.906 7.359 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.160 3.152 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.328 1.443 9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.031 0.317 9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.758 1.447 11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.407 1.733 10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.356 3.943 9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.732 3.656 10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.226 3.518 12.769 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.834 3.759 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.503 5.815 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.707 5.936 11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.056 5.703 12.115 1.00 0.00 H new ATOM 1290 N SER A 84 -4.368 0.675 6.973 1.00 0.00 N ATOM 1291 CA SER A 84 -3.074 0.296 6.454 1.00 0.00 C ATOM 1292 C SER A 84 -2.565 1.347 5.492 1.00 0.00 C ATOM 1293 O SER A 84 -1.481 1.907 5.661 1.00 0.00 O ATOM 1294 CB SER A 84 -3.213 -1.024 5.713 1.00 0.00 C ATOM 1295 OG SER A 84 -3.946 -0.852 4.513 1.00 0.00 O ATOM 0 H SER A 84 -5.099 -0.018 6.813 1.00 0.00 H new ATOM 0 HA SER A 84 -2.370 0.200 7.281 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.225 -1.425 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.715 -1.753 6.350 1.00 0.00 H new ATOM 0 HG SER A 84 -4.881 -1.105 4.662 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.373 1.606 4.478 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.057 2.595 3.475 1.00 0.00 C ATOM 1303 C LEU A 85 -2.921 3.971 4.121 1.00 0.00 C ATOM 1304 O LEU A 85 -1.996 4.722 3.825 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.159 2.566 2.421 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.254 1.246 1.666 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -5.273 1.334 0.542 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.889 0.868 1.127 1.00 0.00 C ATOM 0 H LEU A 85 -4.265 1.134 4.332 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.103 2.374 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.115 2.767 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.987 3.371 1.706 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.590 0.471 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.321 0.379 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.253 1.571 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.977 2.116 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.960 -0.076 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.536 1.647 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.188 0.761 1.955 1.00 0.00 H new ATOM 1320 N MET A 86 -3.839 4.274 5.023 1.00 0.00 N ATOM 1321 CA MET A 86 -3.806 5.536 5.748 1.00 0.00 C ATOM 1322 C MET A 86 -2.477 5.648 6.488 1.00 0.00 C ATOM 1323 O MET A 86 -1.765 6.646 6.378 1.00 0.00 O ATOM 1324 CB MET A 86 -4.971 5.607 6.734 1.00 0.00 C ATOM 1325 CG MET A 86 -6.323 5.728 6.056 1.00 0.00 C ATOM 1326 SD MET A 86 -7.053 7.359 6.273 1.00 0.00 S ATOM 1327 CE MET A 86 -5.744 8.384 5.610 1.00 0.00 C ATOM 0 H MET A 86 -4.618 3.664 5.272 1.00 0.00 H new ATOM 0 HA MET A 86 -3.902 6.365 5.046 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.964 4.714 7.359 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.826 6.461 7.396 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.213 5.520 4.992 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.998 4.974 6.460 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.113 9.400 5.471 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.903 8.394 6.304 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.418 7.982 4.651 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.151 4.586 7.221 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.908 4.481 7.987 1.00 0.00 C ATOM 1339 C ASP A 87 0.311 4.271 7.078 1.00 0.00 C ATOM 1340 O ASP A 87 1.444 4.211 7.555 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.005 3.311 8.955 1.00 0.00 C ATOM 1342 CG ASP A 87 0.187 3.224 9.886 1.00 0.00 C ATOM 1343 OD1 ASP A 87 1.177 2.558 9.521 1.00 0.00 O ATOM 1344 OD2 ASP A 87 0.129 3.823 10.981 1.00 0.00 O ATOM 0 H ASP A 87 -2.749 3.763 7.302 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.774 5.419 8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.916 3.408 9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.088 2.383 8.390 1.00 0.00 H new ATOM 1349 N ALA A 88 0.071 4.156 5.778 1.00 0.00 N ATOM 1350 CA ALA A 88 1.130 3.894 4.812 1.00 0.00 C ATOM 1351 C ALA A 88 2.113 5.052 4.644 1.00 0.00 C ATOM 1352 O ALA A 88 3.265 4.834 4.270 1.00 0.00 O ATOM 1353 CB ALA A 88 0.509 3.538 3.480 1.00 0.00 C ATOM 0 H ALA A 88 -0.858 4.241 5.365 1.00 0.00 H new ATOM 0 HA ALA A 88 1.716 3.061 5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.296 3.341 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.111 2.649 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.107 4.368 3.132 1.00 0.00 H new ATOM 1359 N ALA A 89 1.675 6.279 4.904 1.00 0.00 N ATOM 1360 CA ALA A 89 2.563 7.428 4.749 1.00 0.00 C ATOM 1361 C ALA A 89 2.051 8.659 5.493 1.00 0.00 C ATOM 1362 O ALA A 89 2.464 8.930 6.621 1.00 0.00 O ATOM 1363 CB ALA A 89 2.758 7.749 3.271 1.00 0.00 C ATOM 0 H ALA A 89 0.730 6.503 5.217 1.00 0.00 H new ATOM 0 HA ALA A 89 3.522 7.158 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.422 8.607 3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.198 6.889 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.794 7.981 2.819 1.00 0.00 H new ATOM 1369 N ASP A 90 1.150 9.399 4.856 1.00 0.00 N ATOM 1370 CA ASP A 90 0.598 10.603 5.459 1.00 0.00 C ATOM 1371 C ASP A 90 -0.599 10.240 6.327 1.00 0.00 C ATOM 1372 O ASP A 90 -1.745 10.466 5.951 1.00 0.00 O ATOM 1373 CB ASP A 90 0.199 11.612 4.386 1.00 0.00 C ATOM 1374 CG ASP A 90 0.485 13.036 4.815 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -0.183 13.519 5.750 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.386 13.664 4.224 1.00 0.00 O ATOM 0 H ASP A 90 0.789 9.186 3.926 1.00 0.00 H new ATOM 0 HA ASP A 90 1.362 11.065 6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.740 11.395 3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.863 11.506 4.165 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.314 9.672 7.488 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.364 9.236 8.407 1.00 0.00 C ATOM 1383 C ASN A 91 -1.600 10.229 9.538 1.00 0.00 C ATOM 1384 O ASN A 91 -2.735 10.622 9.806 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.045 7.852 8.997 1.00 0.00 C ATOM 1386 CG ASN A 91 0.423 7.478 8.893 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.803 6.881 7.768 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 1.205 7.727 9.810 1.00 0.00 N flip ATOM 0 H ASN A 91 0.635 9.500 7.820 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.278 9.176 7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.344 7.834 10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.642 7.099 8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.869 8.187 10.656 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.189 7.473 9.724 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.522 10.629 10.196 1.00 0.00 N ATOM 1396 CA ASP A 92 -0.606 11.533 11.333 1.00 0.00 C ATOM 1397 C ASP A 92 -0.934 12.976 10.951 1.00 0.00 C ATOM 1398 O ASP A 92 -1.212 13.788 11.834 1.00 0.00 O ATOM 1399 CB ASP A 92 0.710 11.500 12.105 1.00 0.00 C ATOM 1400 CG ASP A 92 1.043 10.117 12.627 1.00 0.00 C ATOM 1401 OD1 ASP A 92 1.664 9.332 11.880 1.00 0.00 O ATOM 1402 OD2 ASP A 92 0.684 9.818 13.786 1.00 0.00 O ATOM 0 H ASP A 92 0.427 10.339 9.960 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.433 11.180 11.949 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.516 11.844 11.457 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.654 12.197 12.941 1.00 0.00 H new ATOM 1407 N GLY A 93 -0.910 13.322 9.666 1.00 0.00 N ATOM 1408 CA GLY A 93 -1.198 14.700 9.301 1.00 0.00 C ATOM 1409 C GLY A 93 -2.311 14.872 8.278 1.00 0.00 C ATOM 1410 O GLY A 93 -3.471 15.071 8.639 1.00 0.00 O ATOM 0 H GLY A 93 -0.703 12.693 8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.465 15.251 10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.289 15.154 8.907 1.00 0.00 H new ATOM 1414 N ASP A 94 -1.951 14.796 7.000 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.906 14.997 5.911 1.00 0.00 C ATOM 1416 C ASP A 94 -3.870 13.825 5.738 1.00 0.00 C ATOM 1417 O ASP A 94 -5.086 14.002 5.816 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.163 15.255 4.599 1.00 0.00 C ATOM 1419 CG ASP A 94 -1.200 16.421 4.701 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -1.644 17.574 4.527 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -0.001 16.179 4.957 1.00 0.00 O ATOM 0 H ASP A 94 -1.000 14.596 6.691 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.506 15.867 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.614 14.358 4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.886 15.452 3.808 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.333 12.632 5.503 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.183 11.471 5.304 1.00 0.00 C ATOM 1428 C GLY A 95 -4.119 10.933 3.882 1.00 0.00 C ATOM 1429 O GLY A 95 -4.931 10.092 3.498 1.00 0.00 O ATOM 0 H GLY A 95 -2.331 12.448 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.887 10.685 5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.213 11.735 5.542 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.153 11.414 3.098 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.001 10.977 1.712 1.00 0.00 C ATOM 1435 C LYS A 96 -1.744 10.104 1.539 1.00 0.00 C ATOM 1436 O LYS A 96 -0.807 10.200 2.330 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.973 12.220 0.782 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.628 12.532 0.130 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.543 12.790 1.164 1.00 0.00 C ATOM 1440 CE LYS A 96 0.350 13.946 0.741 1.00 0.00 C ATOM 1441 NZ LYS A 96 1.058 14.559 1.898 1.00 0.00 N ATOM 0 H LYS A 96 -2.466 12.105 3.400 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.853 10.356 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.713 12.078 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.286 13.090 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.331 11.699 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.731 13.405 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.000 13.013 2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.059 11.891 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.082 13.591 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.252 14.705 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.023 14.823 1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.544 15.408 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.102 13.875 2.680 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.729 9.263 0.498 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.576 8.402 0.234 1.00 0.00 C ATOM 1457 C ILE A 97 -0.073 8.533 -1.201 1.00 0.00 C ATOM 1458 O ILE A 97 -0.628 7.938 -2.117 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.900 6.917 0.449 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.542 6.680 1.807 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.364 6.082 0.314 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.670 7.082 2.976 1.00 0.00 C ATOM 0 H ILE A 97 -2.495 9.162 -0.168 1.00 0.00 H new ATOM 0 HA ILE A 97 0.186 8.735 0.939 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.615 6.614 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.479 7.235 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.793 5.623 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.123 5.030 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.784 6.216 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.092 6.401 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.197 6.882 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.256 6.508 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.440 8.145 2.910 1.00 0.00 H new ATOM 1474 N GLY A 98 0.987 9.297 -1.384 1.00 0.00 N ATOM 1475 CA GLY A 98 1.589 9.456 -2.694 1.00 0.00 C ATOM 1476 C GLY A 98 2.952 8.796 -2.757 1.00 0.00 C ATOM 1477 O GLY A 98 3.474 8.370 -1.740 1.00 0.00 O ATOM 0 H GLY A 98 1.450 9.819 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.937 9.022 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.685 10.517 -2.926 1.00 0.00 H new ATOM 1481 N ALA A 99 3.524 8.689 -3.945 1.00 0.00 N ATOM 1482 CA ALA A 99 4.832 8.058 -4.084 1.00 0.00 C ATOM 1483 C ALA A 99 5.835 8.714 -3.135 1.00 0.00 C ATOM 1484 O ALA A 99 6.568 8.034 -2.418 1.00 0.00 O ATOM 1485 CB ALA A 99 5.311 8.150 -5.520 1.00 0.00 C ATOM 0 H ALA A 99 3.113 9.024 -4.816 1.00 0.00 H new ATOM 0 HA ALA A 99 4.746 7.004 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.288 7.675 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.601 7.644 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.389 9.197 -5.811 1.00 0.00 H new ATOM 1491 N ASP A 100 5.852 10.044 -3.132 1.00 0.00 N ATOM 1492 CA ASP A 100 6.743 10.803 -2.259 1.00 0.00 C ATOM 1493 C ASP A 100 6.459 10.482 -0.793 1.00 0.00 C ATOM 1494 O ASP A 100 7.366 10.146 -0.033 1.00 0.00 O ATOM 1495 CB ASP A 100 6.580 12.304 -2.506 1.00 0.00 C ATOM 1496 CG ASP A 100 6.993 12.708 -3.908 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.197 12.970 -4.120 1.00 0.00 O ATOM 1498 OD2 ASP A 100 6.116 12.764 -4.794 1.00 0.00 O ATOM 0 H ASP A 100 5.257 10.620 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 100 7.770 10.517 -2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.540 12.586 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.178 12.856 -1.781 1.00 0.00 H new ATOM 1503 N GLU A 101 5.190 10.588 -0.410 1.00 0.00 N ATOM 1504 CA GLU A 101 4.761 10.298 0.953 1.00 0.00 C ATOM 1505 C GLU A 101 5.082 8.847 1.285 1.00 0.00 C ATOM 1506 O GLU A 101 5.695 8.548 2.308 1.00 0.00 O ATOM 1507 CB GLU A 101 3.255 10.567 1.083 1.00 0.00 C ATOM 1508 CG GLU A 101 2.884 11.866 1.793 1.00 0.00 C ATOM 1509 CD GLU A 101 3.929 12.961 1.654 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.247 13.335 0.506 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.429 13.442 2.693 1.00 0.00 O ATOM 0 H GLU A 101 4.435 10.876 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 101 5.290 10.942 1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.817 10.580 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.799 9.735 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.936 12.229 1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.727 11.659 2.852 1.00 0.00 H new ATOM 1518 N PHE A 102 4.658 7.949 0.402 1.00 0.00 N ATOM 1519 CA PHE A 102 4.925 6.529 0.562 1.00 0.00 C ATOM 1520 C PHE A 102 6.421 6.313 0.752 1.00 0.00 C ATOM 1521 O PHE A 102 6.847 5.562 1.630 1.00 0.00 O ATOM 1522 CB PHE A 102 4.434 5.739 -0.658 1.00 0.00 C ATOM 1523 CG PHE A 102 4.528 4.250 -0.460 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.758 3.625 -0.294 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.378 3.478 -0.408 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.834 2.264 -0.083 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.451 2.114 -0.203 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.680 1.506 -0.039 1.00 0.00 C ATOM 0 H PHE A 102 4.125 8.184 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 102 4.387 6.169 1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.399 6.009 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.022 6.023 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.664 4.211 -0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.413 3.949 -0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.796 1.791 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.547 1.523 -0.171 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.739 0.440 0.123 1.00 0.00 H new ATOM 1538 N GLN A 103 7.213 6.979 -0.087 1.00 0.00 N ATOM 1539 CA GLN A 103 8.665 6.874 -0.012 1.00 0.00 C ATOM 1540 C GLN A 103 9.149 7.202 1.392 1.00 0.00 C ATOM 1541 O GLN A 103 10.183 6.705 1.838 1.00 0.00 O ATOM 1542 CB GLN A 103 9.326 7.816 -1.014 1.00 0.00 C ATOM 1543 CG GLN A 103 9.176 7.377 -2.449 1.00 0.00 C ATOM 1544 CD GLN A 103 10.375 6.614 -2.963 1.00 0.00 C ATOM 1545 OE1 GLN A 103 11.021 5.872 -2.224 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.687 6.810 -4.238 1.00 0.00 N ATOM 0 H GLN A 103 6.872 7.595 -0.825 1.00 0.00 H new ATOM 0 HA GLN A 103 8.942 5.848 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.897 8.812 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.387 7.898 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.288 6.752 -2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.014 8.254 -3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.121 7.435 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.493 6.335 -4.645 1.00 0.00 H new ATOM 1555 N GLU A 104 8.391 8.046 2.086 1.00 0.00 N ATOM 1556 CA GLU A 104 8.747 8.441 3.443 1.00 0.00 C ATOM 1557 C GLU A 104 8.740 7.230 4.367 1.00 0.00 C ATOM 1558 O GLU A 104 9.592 7.099 5.245 1.00 0.00 O ATOM 1559 CB GLU A 104 7.777 9.500 3.970 1.00 0.00 C ATOM 1560 CG GLU A 104 7.602 10.688 3.041 1.00 0.00 C ATOM 1561 CD GLU A 104 6.724 11.768 3.640 1.00 0.00 C ATOM 1562 OE1 GLU A 104 5.500 11.543 3.750 1.00 0.00 O ATOM 1563 OE2 GLU A 104 7.258 12.840 3.996 1.00 0.00 O ATOM 0 H GLU A 104 7.532 8.467 1.733 1.00 0.00 H new ATOM 0 HA GLU A 104 9.751 8.866 3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.805 9.037 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.133 9.856 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.580 11.108 2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.166 10.349 2.101 1.00 0.00 H new ATOM 1570 N MET A 105 7.770 6.347 4.157 1.00 0.00 N ATOM 1571 CA MET A 105 7.632 5.148 4.972 1.00 0.00 C ATOM 1572 C MET A 105 8.855 4.237 4.850 1.00 0.00 C ATOM 1573 O MET A 105 9.460 3.872 5.858 1.00 0.00 O ATOM 1574 CB MET A 105 6.363 4.395 4.590 1.00 0.00 C ATOM 1575 CG MET A 105 5.526 3.973 5.788 1.00 0.00 C ATOM 1576 SD MET A 105 6.349 2.737 6.811 1.00 0.00 S ATOM 1577 CE MET A 105 6.532 1.399 5.637 1.00 0.00 C ATOM 0 H MET A 105 7.065 6.441 3.426 1.00 0.00 H new ATOM 0 HA MET A 105 7.560 5.460 6.014 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.758 5.025 3.938 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.634 3.509 4.016 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.300 4.850 6.395 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.574 3.574 5.438 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.147 0.477 6.073 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.975 1.632 4.730 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.586 1.271 5.392 1.00 0.00 H new ATOM 1587 N VAL A 106 9.221 3.868 3.621 1.00 0.00 N ATOM 1588 CA VAL A 106 10.375 3.004 3.401 1.00 0.00 C ATOM 1589 C VAL A 106 11.652 3.658 3.922 1.00 0.00 C ATOM 1590 O VAL A 106 12.557 2.981 4.410 1.00 0.00 O ATOM 1591 CB VAL A 106 10.549 2.673 1.902 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.618 3.950 1.085 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.781 1.800 1.672 1.00 0.00 C ATOM 0 H VAL A 106 8.737 4.153 2.770 1.00 0.00 H new ATOM 0 HA VAL A 106 10.194 2.079 3.949 1.00 0.00 H new ATOM 0 HB VAL A 106 9.680 2.104 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.741 3.701 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.697 4.518 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.466 4.549 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.879 1.582 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.670 2.327 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.674 0.867 2.225 1.00 0.00 H new ATOM 1603 N HIS A 107 11.712 4.980 3.816 1.00 0.00 N ATOM 1604 CA HIS A 107 12.871 5.734 4.276 1.00 0.00 C ATOM 1605 C HIS A 107 12.821 5.947 5.785 1.00 0.00 C ATOM 1606 O HIS A 107 13.857 6.064 6.441 1.00 0.00 O ATOM 1607 CB HIS A 107 12.943 7.085 3.563 1.00 0.00 C ATOM 1608 CG HIS A 107 14.175 7.868 3.892 1.00 0.00 C ATOM 1609 ND1 HIS A 107 14.174 8.953 4.745 1.00 0.00 N ATOM 1610 CD2 HIS A 107 15.457 7.718 3.481 1.00 0.00 C ATOM 1611 CE1 HIS A 107 15.400 9.435 4.841 1.00 0.00 C ATOM 1612 NE2 HIS A 107 16.197 8.704 4.085 1.00 0.00 N ATOM 0 H HIS A 107 10.970 5.553 3.415 1.00 0.00 H new ATOM 0 HA HIS A 107 13.764 5.156 4.038 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.903 6.921 2.486 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.066 7.674 3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.828 6.963 2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.700 10.284 5.438 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.200 8.848 3.968 1.00 0.00 H new ATOM 1621 N SER A 108 11.610 5.994 6.328 1.00 0.00 N ATOM 1622 CA SER A 108 11.423 6.194 7.760 1.00 0.00 C ATOM 1623 C SER A 108 12.005 5.029 8.555 1.00 0.00 C ATOM 1624 O SER A 108 13.212 5.073 8.872 1.00 0.00 O ATOM 1625 CB SER A 108 9.938 6.353 8.081 1.00 0.00 C ATOM 1626 OG SER A 108 9.731 6.499 9.474 1.00 0.00 O ATOM 1627 OXT SER A 108 11.247 4.083 8.855 1.00 0.00 O ATOM 0 H SER A 108 10.744 5.896 5.799 1.00 0.00 H new ATOM 0 HA SER A 108 11.951 7.104 8.047 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.541 7.223 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.389 5.484 7.718 1.00 0.00 H new ATOM 0 HG SER A 108 8.773 6.601 9.653 1.00 0.00 H new TER 1633 SER A 108