USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 843 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 88 SER OG : rot 93:sc= 0.637 USER MOD Set 1.2: A 90 MET CE :methyl -153:sc= 0 (180deg=-0.462) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 152:sc= -0.346 (180deg=-1.15) USER MOD Set 2.2: A 74 THR OG1 : rot -106:sc= 0.194 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.19) USER MOD Set 3.2: A 16 SER OG : rot 140:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0923 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0639 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00951 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -129:sc= -2.3! USER MOD Single : A 28 CYS SG : rot 120:sc= -0.826 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0931 K(o=-0.093,f=-2.1!) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= -0.0132 (180deg=-0.129) USER MOD Single : A 48 CYS SG : rot -170:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -5.22! C(o=-5.2!,f=-8!) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc=-0.000187 (180deg=-0.078) USER MOD Single : A 53 HIS : no HD1:sc=-0.00957 X(o=-0.0096,f=0) USER MOD Single : A 56 ASN : amide:sc= -1.63! C(o=-1.6!,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 64 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.00083) USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= -0.922 (180deg=-2.13!) USER MOD Single : A 75 ASN :FLIP amide:sc= 0.635 F(o=-0.00054,f=0.64) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 177:sc= -0.721 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -163:sc=-0.00991 (180deg=-0.0441) USER MOD Single : A 95 GLN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0958 F(o=-1.2,f=-0.096) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -53:sc= 0.967 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 13:sc= 0.761 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.955 -26.325 -53.178 1.00 0.00 N ATOM 2 CA GLY A 1 10.982 -25.750 -51.846 1.00 0.00 C ATOM 3 C GLY A 1 10.318 -24.389 -51.788 1.00 0.00 C ATOM 4 O GLY A 1 9.842 -23.879 -52.802 1.00 0.00 O ATOM 0 H1 GLY A 1 10.426 -27.220 -53.159 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.491 -25.663 -53.833 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.928 -26.504 -53.499 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.481 -26.425 -51.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.016 -25.661 -51.513 1.00 0.00 H new ATOM 8 N SER A 2 10.286 -23.798 -50.598 1.00 0.00 N ATOM 9 CA SER A 2 9.670 -22.489 -50.410 1.00 0.00 C ATOM 10 C SER A 2 10.240 -21.793 -49.178 1.00 0.00 C ATOM 11 O SER A 2 11.057 -22.360 -48.453 1.00 0.00 O ATOM 12 CB SER A 2 8.153 -22.630 -50.275 1.00 0.00 C ATOM 13 OG SER A 2 7.816 -23.625 -49.324 1.00 0.00 O ATOM 0 H SER A 2 10.679 -24.205 -49.749 1.00 0.00 H new ATOM 0 HA SER A 2 9.894 -21.880 -51.286 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.721 -21.675 -49.975 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.721 -22.886 -51.242 1.00 0.00 H new ATOM 0 HG SER A 2 6.841 -23.695 -49.255 1.00 0.00 H new ATOM 19 N SER A 3 9.802 -20.559 -48.948 1.00 0.00 N ATOM 20 CA SER A 3 10.270 -19.782 -47.807 1.00 0.00 C ATOM 21 C SER A 3 9.233 -18.740 -47.397 1.00 0.00 C ATOM 22 O SER A 3 8.652 -18.061 -48.242 1.00 0.00 O ATOM 23 CB SER A 3 11.596 -19.096 -48.139 1.00 0.00 C ATOM 24 OG SER A 3 12.171 -18.509 -46.984 1.00 0.00 O ATOM 0 H SER A 3 9.124 -20.076 -49.537 1.00 0.00 H new ATOM 0 HA SER A 3 10.423 -20.465 -46.972 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.288 -19.823 -48.564 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.433 -18.330 -48.897 1.00 0.00 H new ATOM 0 HG SER A 3 13.018 -18.079 -47.223 1.00 0.00 H new ATOM 30 N GLY A 4 9.008 -18.619 -46.092 1.00 0.00 N ATOM 31 CA GLY A 4 8.042 -17.658 -45.592 1.00 0.00 C ATOM 32 C GLY A 4 8.640 -16.715 -44.567 1.00 0.00 C ATOM 33 O GLY A 4 9.825 -16.808 -44.245 1.00 0.00 O ATOM 0 H GLY A 4 9.477 -19.169 -45.373 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.645 -17.079 -46.426 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.202 -18.190 -45.145 1.00 0.00 H new ATOM 37 N SER A 5 7.820 -15.804 -44.054 1.00 0.00 N ATOM 38 CA SER A 5 8.276 -14.836 -43.063 1.00 0.00 C ATOM 39 C SER A 5 7.109 -14.331 -42.220 1.00 0.00 C ATOM 40 O SER A 5 5.955 -14.683 -42.463 1.00 0.00 O ATOM 41 CB SER A 5 8.970 -13.659 -43.751 1.00 0.00 C ATOM 42 OG SER A 5 10.144 -14.082 -44.423 1.00 0.00 O ATOM 0 H SER A 5 6.836 -15.716 -44.308 1.00 0.00 H new ATOM 0 HA SER A 5 8.988 -15.334 -42.405 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.287 -13.195 -44.463 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.224 -12.900 -43.012 1.00 0.00 H new ATOM 0 HG SER A 5 10.568 -13.312 -44.856 1.00 0.00 H new ATOM 48 N SER A 6 7.419 -13.502 -41.228 1.00 0.00 N ATOM 49 CA SER A 6 6.397 -12.950 -40.346 1.00 0.00 C ATOM 50 C SER A 6 6.971 -11.828 -39.486 1.00 0.00 C ATOM 51 O SER A 6 8.175 -11.774 -39.238 1.00 0.00 O ATOM 52 CB SER A 6 5.819 -14.048 -39.452 1.00 0.00 C ATOM 53 OG SER A 6 4.833 -13.526 -38.577 1.00 0.00 O ATOM 0 H SER A 6 8.369 -13.198 -41.015 1.00 0.00 H new ATOM 0 HA SER A 6 5.600 -12.538 -40.966 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.383 -14.833 -40.070 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.619 -14.507 -38.871 1.00 0.00 H new ATOM 0 HG SER A 6 4.477 -14.247 -38.017 1.00 0.00 H new ATOM 59 N GLY A 7 6.099 -10.932 -39.034 1.00 0.00 N ATOM 60 CA GLY A 7 6.536 -9.822 -38.207 1.00 0.00 C ATOM 61 C GLY A 7 5.899 -9.838 -36.832 1.00 0.00 C ATOM 62 O GLY A 7 4.844 -10.440 -36.636 1.00 0.00 O ATOM 0 H GLY A 7 5.097 -10.955 -39.226 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.620 -9.856 -38.102 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.293 -8.884 -38.706 1.00 0.00 H new ATOM 66 N MET A 8 6.542 -9.176 -35.876 1.00 0.00 N ATOM 67 CA MET A 8 6.032 -9.117 -34.511 1.00 0.00 C ATOM 68 C MET A 8 6.219 -7.723 -33.921 1.00 0.00 C ATOM 69 O MET A 8 6.877 -6.869 -34.516 1.00 0.00 O ATOM 70 CB MET A 8 6.738 -10.153 -33.635 1.00 0.00 C ATOM 71 CG MET A 8 6.468 -11.589 -34.055 1.00 0.00 C ATOM 72 SD MET A 8 7.484 -12.106 -35.452 1.00 0.00 S ATOM 73 CE MET A 8 8.388 -13.472 -34.727 1.00 0.00 C ATOM 0 H MET A 8 7.417 -8.673 -36.021 1.00 0.00 H new ATOM 0 HA MET A 8 4.966 -9.341 -34.538 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.812 -9.970 -33.664 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.420 -10.020 -32.601 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.654 -12.252 -33.210 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.415 -11.695 -34.317 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.061 -13.898 -35.471 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.967 -13.114 -33.876 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.686 -14.236 -34.393 1.00 0.00 H new ATOM 83 N ASP A 9 5.635 -7.499 -32.748 1.00 0.00 N ATOM 84 CA ASP A 9 5.738 -6.208 -32.077 1.00 0.00 C ATOM 85 C ASP A 9 6.154 -6.385 -30.620 1.00 0.00 C ATOM 86 O ASP A 9 5.492 -7.087 -29.856 1.00 0.00 O ATOM 87 CB ASP A 9 4.405 -5.462 -32.153 1.00 0.00 C ATOM 88 CG ASP A 9 4.007 -5.132 -33.578 1.00 0.00 C ATOM 89 OD1 ASP A 9 3.379 -5.991 -34.233 1.00 0.00 O ATOM 90 OD2 ASP A 9 4.323 -4.015 -34.039 1.00 0.00 O ATOM 0 H ASP A 9 5.086 -8.194 -32.243 1.00 0.00 H new ATOM 0 HA ASP A 9 6.503 -5.621 -32.586 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.626 -6.069 -31.692 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.474 -4.540 -31.575 1.00 0.00 H new ATOM 95 N ALA A 10 7.255 -5.744 -30.242 1.00 0.00 N ATOM 96 CA ALA A 10 7.759 -5.830 -28.877 1.00 0.00 C ATOM 97 C ALA A 10 7.764 -4.461 -28.207 1.00 0.00 C ATOM 98 O ALA A 10 8.584 -4.193 -27.328 1.00 0.00 O ATOM 99 CB ALA A 10 9.157 -6.431 -28.867 1.00 0.00 C ATOM 0 H ALA A 10 7.815 -5.159 -30.862 1.00 0.00 H new ATOM 0 HA ALA A 10 7.093 -6.480 -28.310 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.521 -6.489 -27.841 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.126 -7.432 -29.298 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.827 -5.803 -29.454 1.00 0.00 H new ATOM 105 N ILE A 11 6.846 -3.597 -28.628 1.00 0.00 N ATOM 106 CA ILE A 11 6.746 -2.255 -28.068 1.00 0.00 C ATOM 107 C ILE A 11 5.599 -2.162 -27.068 1.00 0.00 C ATOM 108 O ILE A 11 4.448 -2.454 -27.397 1.00 0.00 O ATOM 109 CB ILE A 11 6.539 -1.199 -29.169 1.00 0.00 C ATOM 110 CG1 ILE A 11 7.668 -1.277 -30.199 1.00 0.00 C ATOM 111 CG2 ILE A 11 6.465 0.193 -28.561 1.00 0.00 C ATOM 112 CD1 ILE A 11 9.028 -1.528 -29.587 1.00 0.00 C ATOM 0 H ILE A 11 6.161 -3.803 -29.355 1.00 0.00 H new ATOM 0 HA ILE A 11 7.688 -2.055 -27.557 1.00 0.00 H new ATOM 0 HB ILE A 11 5.596 -1.403 -29.675 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.446 -2.073 -30.910 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.699 -0.345 -30.763 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.319 0.928 -29.352 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.630 0.241 -27.862 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.393 0.409 -28.032 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.779 -1.571 -30.375 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.272 -0.720 -28.898 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.015 -2.474 -29.046 1.00 0.00 H new ATOM 124 N LEU A 12 5.919 -1.751 -25.845 1.00 0.00 N ATOM 125 CA LEU A 12 4.914 -1.616 -24.796 1.00 0.00 C ATOM 126 C LEU A 12 4.876 -0.189 -24.259 1.00 0.00 C ATOM 127 O LEU A 12 5.915 0.445 -24.080 1.00 0.00 O ATOM 128 CB LEU A 12 5.205 -2.594 -23.656 1.00 0.00 C ATOM 129 CG LEU A 12 4.612 -2.233 -22.294 1.00 0.00 C ATOM 130 CD1 LEU A 12 3.097 -2.126 -22.382 1.00 0.00 C ATOM 131 CD2 LEU A 12 5.016 -3.261 -21.247 1.00 0.00 C ATOM 0 H LEU A 12 6.866 -1.506 -25.556 1.00 0.00 H new ATOM 0 HA LEU A 12 3.940 -1.848 -25.227 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.832 -3.577 -23.943 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.286 -2.683 -23.547 1.00 0.00 H new ATOM 0 HG LEU A 12 5.007 -1.263 -21.993 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.693 -1.868 -21.403 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.828 -1.352 -23.101 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.683 -3.081 -22.705 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.585 -2.988 -20.284 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.650 -4.244 -21.543 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.102 -3.288 -21.164 1.00 0.00 H new ATOM 143 N ASN A 13 3.671 0.309 -24.003 1.00 0.00 N ATOM 144 CA ASN A 13 3.497 1.661 -23.484 1.00 0.00 C ATOM 145 C ASN A 13 2.534 1.670 -22.301 1.00 0.00 C ATOM 146 O ASN A 13 1.398 2.131 -22.415 1.00 0.00 O ATOM 147 CB ASN A 13 2.979 2.589 -24.585 1.00 0.00 C ATOM 148 CG ASN A 13 2.769 4.008 -24.094 1.00 0.00 C ATOM 149 OD1 ASN A 13 3.664 4.610 -23.500 1.00 0.00 O ATOM 150 ND2 ASN A 13 1.582 4.550 -24.339 1.00 0.00 N ATOM 0 H ASN A 13 2.801 -0.203 -24.146 1.00 0.00 H new ATOM 0 HA ASN A 13 4.468 2.020 -23.142 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.687 2.595 -25.414 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.038 2.199 -24.972 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.383 5.502 -24.032 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.869 4.014 -24.835 1.00 0.00 H new ATOM 157 N TYR A 14 2.996 1.159 -21.165 1.00 0.00 N ATOM 158 CA TYR A 14 2.176 1.107 -19.961 1.00 0.00 C ATOM 159 C TYR A 14 2.660 2.120 -18.928 1.00 0.00 C ATOM 160 O TYR A 14 3.739 2.697 -19.066 1.00 0.00 O ATOM 161 CB TYR A 14 2.201 -0.300 -19.363 1.00 0.00 C ATOM 162 CG TYR A 14 1.158 -0.521 -18.290 1.00 0.00 C ATOM 163 CD1 TYR A 14 -0.156 -0.108 -18.476 1.00 0.00 C ATOM 164 CD2 TYR A 14 1.486 -1.142 -17.091 1.00 0.00 C ATOM 165 CE1 TYR A 14 -1.112 -0.307 -17.500 1.00 0.00 C ATOM 166 CE2 TYR A 14 0.536 -1.346 -16.110 1.00 0.00 C ATOM 167 CZ TYR A 14 -0.762 -0.927 -16.318 1.00 0.00 C ATOM 168 OH TYR A 14 -1.711 -1.127 -15.342 1.00 0.00 O ATOM 0 H TYR A 14 3.934 0.775 -21.053 1.00 0.00 H new ATOM 0 HA TYR A 14 1.152 1.359 -20.238 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.049 -1.027 -20.161 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.189 -0.489 -18.942 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.434 0.377 -19.400 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.501 -1.471 -16.924 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.128 0.021 -17.661 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.808 -1.831 -15.184 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.301 -1.577 -14.574 1.00 0.00 H new ATOM 178 N ARG A 15 1.853 2.330 -17.893 1.00 0.00 N ATOM 179 CA ARG A 15 2.197 3.274 -16.836 1.00 0.00 C ATOM 180 C ARG A 15 2.383 4.679 -17.400 1.00 0.00 C ATOM 181 O ARG A 15 3.323 5.386 -17.037 1.00 0.00 O ATOM 182 CB ARG A 15 3.473 2.827 -16.120 1.00 0.00 C ATOM 183 CG ARG A 15 3.249 1.708 -15.116 1.00 0.00 C ATOM 184 CD ARG A 15 4.310 1.715 -14.027 1.00 0.00 C ATOM 185 NE ARG A 15 5.470 0.903 -14.388 1.00 0.00 N ATOM 186 CZ ARG A 15 5.473 -0.425 -14.362 1.00 0.00 C ATOM 187 NH1 ARG A 15 4.384 -1.087 -13.997 1.00 0.00 N ATOM 188 NH2 ARG A 15 6.567 -1.093 -14.704 1.00 0.00 N ATOM 0 H ARG A 15 0.957 1.860 -17.764 1.00 0.00 H new ATOM 0 HA ARG A 15 1.375 3.295 -16.121 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.199 2.497 -16.863 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.910 3.683 -15.606 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.263 1.815 -14.665 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.262 0.748 -15.631 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.629 2.740 -13.839 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.879 1.340 -13.099 1.00 0.00 H new ATOM 0 HE ARG A 15 6.323 1.382 -14.675 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.541 -0.577 -13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.389 -2.107 -13.978 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.406 -0.587 -14.987 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.569 -2.113 -14.684 1.00 0.00 H new ATOM 202 N SER A 16 1.481 5.077 -18.292 1.00 0.00 N ATOM 203 CA SER A 16 1.548 6.396 -18.910 1.00 0.00 C ATOM 204 C SER A 16 0.710 7.405 -18.130 1.00 0.00 C ATOM 205 O SER A 16 1.102 8.560 -17.969 1.00 0.00 O ATOM 206 CB SER A 16 1.065 6.328 -20.360 1.00 0.00 C ATOM 207 OG SER A 16 2.116 5.942 -21.229 1.00 0.00 O ATOM 0 H SER A 16 0.696 4.505 -18.603 1.00 0.00 H new ATOM 0 HA SER A 16 2.587 6.724 -18.895 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.243 5.617 -20.440 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.676 7.300 -20.663 1.00 0.00 H new ATOM 0 HG SER A 16 1.770 5.324 -21.907 1.00 0.00 H new ATOM 213 N GLU A 17 -0.446 6.958 -17.649 1.00 0.00 N ATOM 214 CA GLU A 17 -1.341 7.822 -16.887 1.00 0.00 C ATOM 215 C GLU A 17 -0.992 7.790 -15.402 1.00 0.00 C ATOM 216 O GLU A 17 -0.601 6.753 -14.867 1.00 0.00 O ATOM 217 CB GLU A 17 -2.795 7.393 -17.090 1.00 0.00 C ATOM 218 CG GLU A 17 -3.395 7.878 -18.399 1.00 0.00 C ATOM 219 CD GLU A 17 -3.033 6.987 -19.572 1.00 0.00 C ATOM 220 OE1 GLU A 17 -1.972 6.331 -19.512 1.00 0.00 O ATOM 221 OE2 GLU A 17 -3.810 6.946 -20.549 1.00 0.00 O ATOM 0 H GLU A 17 -0.785 6.004 -17.773 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.217 8.842 -17.250 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.852 6.305 -17.055 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.396 7.771 -16.263 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.480 7.923 -18.303 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.051 8.893 -18.598 1.00 0.00 H new ATOM 228 N ASP A 18 -1.136 8.934 -14.742 1.00 0.00 N ATOM 229 CA ASP A 18 -0.838 9.039 -13.318 1.00 0.00 C ATOM 230 C ASP A 18 -2.118 8.996 -12.490 1.00 0.00 C ATOM 231 O ASP A 18 -2.850 9.983 -12.407 1.00 0.00 O ATOM 232 CB ASP A 18 -0.072 10.331 -13.030 1.00 0.00 C ATOM 233 CG ASP A 18 0.222 10.512 -11.554 1.00 0.00 C ATOM 234 OD1 ASP A 18 0.214 9.503 -10.819 1.00 0.00 O ATOM 235 OD2 ASP A 18 0.459 11.664 -11.133 1.00 0.00 O ATOM 0 H ASP A 18 -1.457 9.802 -15.170 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.218 8.188 -13.038 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.865 10.326 -13.586 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.651 11.181 -13.389 1.00 0.00 H new ATOM 240 N THR A 19 -2.383 7.846 -11.879 1.00 0.00 N ATOM 241 CA THR A 19 -3.576 7.673 -11.059 1.00 0.00 C ATOM 242 C THR A 19 -3.289 6.791 -9.850 1.00 0.00 C ATOM 243 O THR A 19 -2.628 5.759 -9.967 1.00 0.00 O ATOM 244 CB THR A 19 -4.730 7.055 -11.870 1.00 0.00 C ATOM 245 OG1 THR A 19 -4.976 7.835 -13.045 1.00 0.00 O ATOM 246 CG2 THR A 19 -5.998 6.976 -11.033 1.00 0.00 C ATOM 0 H THR A 19 -1.787 7.020 -11.936 1.00 0.00 H new ATOM 0 HA THR A 19 -3.872 8.665 -10.718 1.00 0.00 H new ATOM 0 HB THR A 19 -4.441 6.045 -12.159 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.710 7.434 -13.556 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.799 6.536 -11.627 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.816 6.357 -10.154 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.289 7.978 -10.717 1.00 0.00 H new ATOM 254 N GLU A 20 -3.791 7.202 -8.690 1.00 0.00 N ATOM 255 CA GLU A 20 -3.587 6.447 -7.459 1.00 0.00 C ATOM 256 C GLU A 20 -4.713 5.439 -7.247 1.00 0.00 C ATOM 257 O GLU A 20 -5.507 5.566 -6.314 1.00 0.00 O ATOM 258 CB GLU A 20 -3.504 7.395 -6.261 1.00 0.00 C ATOM 259 CG GLU A 20 -4.341 8.653 -6.420 1.00 0.00 C ATOM 260 CD GLU A 20 -4.492 9.421 -5.121 1.00 0.00 C ATOM 261 OE1 GLU A 20 -3.525 10.097 -4.715 1.00 0.00 O ATOM 262 OE2 GLU A 20 -5.580 9.345 -4.512 1.00 0.00 O ATOM 0 H GLU A 20 -4.342 8.053 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.647 5.903 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.828 6.864 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.463 7.679 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.881 9.299 -7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.328 8.383 -6.795 1.00 0.00 H new ATOM 269 N ASP A 21 -4.776 4.439 -8.119 1.00 0.00 N ATOM 270 CA ASP A 21 -5.804 3.408 -8.027 1.00 0.00 C ATOM 271 C ASP A 21 -5.397 2.321 -7.037 1.00 0.00 C ATOM 272 O ASP A 21 -4.461 1.560 -7.286 1.00 0.00 O ATOM 273 CB ASP A 21 -6.062 2.792 -9.403 1.00 0.00 C ATOM 274 CG ASP A 21 -4.820 2.776 -10.272 1.00 0.00 C ATOM 275 OD1 ASP A 21 -3.705 2.870 -9.717 1.00 0.00 O ATOM 276 OD2 ASP A 21 -4.962 2.668 -11.508 1.00 0.00 O ATOM 0 H ASP A 21 -4.128 4.320 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.721 3.875 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.428 1.773 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.848 3.354 -9.908 1.00 0.00 H new ATOM 281 N TYR A 22 -6.104 2.255 -5.915 1.00 0.00 N ATOM 282 CA TYR A 22 -5.815 1.263 -4.886 1.00 0.00 C ATOM 283 C TYR A 22 -5.802 -0.144 -5.474 1.00 0.00 C ATOM 284 O TYR A 22 -4.802 -0.857 -5.385 1.00 0.00 O ATOM 285 CB TYR A 22 -6.848 1.349 -3.761 1.00 0.00 C ATOM 286 CG TYR A 22 -6.615 2.503 -2.812 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.853 3.813 -3.208 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.158 2.282 -1.518 1.00 0.00 C ATOM 289 CE1 TYR A 22 -6.640 4.870 -2.344 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.945 3.332 -0.647 1.00 0.00 C ATOM 291 CZ TYR A 22 -6.187 4.624 -1.065 1.00 0.00 C ATOM 292 OH TYR A 22 -5.976 5.675 -0.201 1.00 0.00 O ATOM 0 H TYR A 22 -6.882 2.877 -5.694 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.826 1.476 -4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.842 1.444 -4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.836 0.417 -3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.211 4.009 -4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.966 1.272 -1.188 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.827 5.883 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.591 3.143 0.356 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.658 5.332 0.660 1.00 0.00 H new ATOM 302 N TYR A 23 -6.919 -0.537 -6.075 1.00 0.00 N ATOM 303 CA TYR A 23 -7.039 -1.860 -6.677 1.00 0.00 C ATOM 304 C TYR A 23 -5.814 -2.185 -7.527 1.00 0.00 C ATOM 305 O TYR A 23 -5.291 -3.299 -7.485 1.00 0.00 O ATOM 306 CB TYR A 23 -8.304 -1.941 -7.534 1.00 0.00 C ATOM 307 CG TYR A 23 -9.542 -2.314 -6.751 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.818 -3.640 -6.440 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.438 -1.341 -6.325 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.949 -3.985 -5.725 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.570 -1.677 -5.609 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.822 -3.000 -5.312 1.00 0.00 C ATOM 313 OH TYR A 23 -12.949 -3.339 -4.600 1.00 0.00 O ATOM 0 H TYR A 23 -7.755 0.042 -6.159 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.106 -2.592 -5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.467 -0.978 -8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.150 -2.674 -8.326 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.137 -4.414 -6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.246 -0.304 -6.558 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.148 -5.020 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.254 -0.908 -5.283 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.456 -2.529 -4.385 1.00 0.00 H new ATOM 323 N THR A 24 -5.360 -1.202 -8.298 1.00 0.00 N ATOM 324 CA THR A 24 -4.197 -1.382 -9.159 1.00 0.00 C ATOM 325 C THR A 24 -2.963 -1.755 -8.345 1.00 0.00 C ATOM 326 O THR A 24 -2.207 -2.652 -8.720 1.00 0.00 O ATOM 327 CB THR A 24 -3.896 -0.107 -9.970 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.003 0.203 -10.823 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.638 -0.282 -10.807 1.00 0.00 C ATOM 0 H THR A 24 -5.780 -0.273 -8.344 1.00 0.00 H new ATOM 0 HA THR A 24 -4.435 -2.194 -9.846 1.00 0.00 H new ATOM 0 HB THR A 24 -3.736 0.713 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.682 0.342 -11.738 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.446 0.631 -11.371 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.791 -0.489 -10.152 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.774 -1.113 -11.499 1.00 0.00 H new ATOM 337 N LEU A 25 -2.765 -1.063 -7.229 1.00 0.00 N ATOM 338 CA LEU A 25 -1.622 -1.322 -6.360 1.00 0.00 C ATOM 339 C LEU A 25 -1.437 -2.820 -6.137 1.00 0.00 C ATOM 340 O LEU A 25 -0.313 -3.325 -6.140 1.00 0.00 O ATOM 341 CB LEU A 25 -1.805 -0.614 -5.017 1.00 0.00 C ATOM 342 CG LEU A 25 -2.151 0.874 -5.085 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.430 1.421 -3.693 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.027 1.653 -5.751 1.00 0.00 C ATOM 0 H LEU A 25 -3.381 -0.318 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.729 -0.932 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.593 -1.125 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.887 -0.727 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.053 0.991 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.674 2.481 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.269 0.883 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.547 1.292 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.291 2.710 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.109 1.529 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.875 1.279 -6.763 1.00 0.00 H new ATOM 356 N LEU A 26 -2.546 -3.526 -5.946 1.00 0.00 N ATOM 357 CA LEU A 26 -2.507 -4.967 -5.723 1.00 0.00 C ATOM 358 C LEU A 26 -3.034 -5.720 -6.940 1.00 0.00 C ATOM 359 O LEU A 26 -3.093 -6.949 -6.945 1.00 0.00 O ATOM 360 CB LEU A 26 -3.328 -5.334 -4.486 1.00 0.00 C ATOM 361 CG LEU A 26 -2.927 -4.641 -3.184 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.886 -5.013 -2.064 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.498 -5.000 -2.807 1.00 0.00 C ATOM 0 H LEU A 26 -3.483 -3.124 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.469 -5.257 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.374 -5.105 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.260 -6.412 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.981 -3.563 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.585 -4.510 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.896 -4.704 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.865 -6.092 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.230 -4.498 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.417 -6.079 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.821 -4.681 -3.600 1.00 0.00 H new ATOM 375 N GLY A 27 -3.416 -4.974 -7.973 1.00 0.00 N ATOM 376 CA GLY A 27 -3.931 -5.588 -9.182 1.00 0.00 C ATOM 377 C GLY A 27 -5.028 -6.596 -8.898 1.00 0.00 C ATOM 378 O GLY A 27 -4.985 -7.724 -9.390 1.00 0.00 O ATOM 0 H GLY A 27 -3.378 -3.955 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.317 -4.813 -9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.116 -6.082 -9.711 1.00 0.00 H new ATOM 382 N CYS A 28 -6.011 -6.190 -8.103 1.00 0.00 N ATOM 383 CA CYS A 28 -7.122 -7.066 -7.752 1.00 0.00 C ATOM 384 C CYS A 28 -8.458 -6.416 -8.098 1.00 0.00 C ATOM 385 O CYS A 28 -8.500 -5.336 -8.687 1.00 0.00 O ATOM 386 CB CYS A 28 -7.079 -7.409 -6.263 1.00 0.00 C ATOM 387 SG CYS A 28 -7.840 -6.164 -5.196 1.00 0.00 S ATOM 0 H CYS A 28 -6.061 -5.259 -7.689 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.024 -7.984 -8.331 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.583 -8.363 -6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.040 -7.544 -5.962 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.824 -6.700 -4.537 1.00 0.00 H new ATOM 393 N ASP A 29 -9.547 -7.081 -7.729 1.00 0.00 N ATOM 394 CA ASP A 29 -10.885 -6.568 -8.000 1.00 0.00 C ATOM 395 C ASP A 29 -11.922 -7.265 -7.125 1.00 0.00 C ATOM 396 O ASP A 29 -11.589 -8.151 -6.338 1.00 0.00 O ATOM 397 CB ASP A 29 -11.236 -6.755 -9.477 1.00 0.00 C ATOM 398 CG ASP A 29 -10.312 -5.979 -10.395 1.00 0.00 C ATOM 399 OD1 ASP A 29 -9.226 -6.501 -10.723 1.00 0.00 O ATOM 400 OD2 ASP A 29 -10.676 -4.850 -10.785 1.00 0.00 O ATOM 0 H ASP A 29 -9.530 -7.977 -7.241 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.894 -5.504 -7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.186 -7.815 -9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.264 -6.435 -9.646 1.00 0.00 H new ATOM 405 N GLU A 30 -13.180 -6.859 -7.268 1.00 0.00 N ATOM 406 CA GLU A 30 -14.264 -7.444 -6.489 1.00 0.00 C ATOM 407 C GLU A 30 -14.314 -8.957 -6.677 1.00 0.00 C ATOM 408 O GLU A 30 -14.900 -9.676 -5.866 1.00 0.00 O ATOM 409 CB GLU A 30 -15.604 -6.824 -6.893 1.00 0.00 C ATOM 410 CG GLU A 30 -15.991 -7.098 -8.336 1.00 0.00 C ATOM 411 CD GLU A 30 -16.800 -8.371 -8.492 1.00 0.00 C ATOM 412 OE1 GLU A 30 -16.767 -9.210 -7.567 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.464 -8.529 -9.537 1.00 0.00 O ATOM 0 H GLU A 30 -13.473 -6.128 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.076 -7.232 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.385 -7.208 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.558 -5.746 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.568 -6.256 -8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.088 -7.169 -8.943 1.00 0.00 H new ATOM 420 N LEU A 31 -13.697 -9.434 -7.752 1.00 0.00 N ATOM 421 CA LEU A 31 -13.670 -10.863 -8.048 1.00 0.00 C ATOM 422 C LEU A 31 -12.672 -11.587 -7.151 1.00 0.00 C ATOM 423 O LEU A 31 -12.948 -12.678 -6.652 1.00 0.00 O ATOM 424 CB LEU A 31 -13.312 -11.092 -9.518 1.00 0.00 C ATOM 425 CG LEU A 31 -14.447 -10.896 -10.524 1.00 0.00 C ATOM 426 CD1 LEU A 31 -13.925 -11.014 -11.947 1.00 0.00 C ATOM 427 CD2 LEU A 31 -15.559 -11.905 -10.276 1.00 0.00 C ATOM 0 H LEU A 31 -13.209 -8.853 -8.433 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.663 -11.268 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.498 -10.417 -9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.931 -12.108 -9.624 1.00 0.00 H new ATOM 0 HG LEU A 31 -14.856 -9.894 -10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.747 -10.872 -12.649 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.164 -10.253 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.489 -12.002 -12.094 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.358 -11.751 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.164 -12.915 -10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.953 -11.772 -9.268 1.00 0.00 H new ATOM 439 N SER A 32 -11.512 -10.971 -6.948 1.00 0.00 N ATOM 440 CA SER A 32 -10.471 -11.557 -6.111 1.00 0.00 C ATOM 441 C SER A 32 -10.890 -11.559 -4.644 1.00 0.00 C ATOM 442 O SER A 32 -11.779 -10.809 -4.240 1.00 0.00 O ATOM 443 CB SER A 32 -9.159 -10.788 -6.278 1.00 0.00 C ATOM 444 OG SER A 32 -8.697 -10.852 -7.616 1.00 0.00 O ATOM 0 H SER A 32 -11.269 -10.066 -7.352 1.00 0.00 H new ATOM 0 HA SER A 32 -10.322 -12.589 -6.429 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.305 -9.747 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.404 -11.201 -5.609 1.00 0.00 H new ATOM 0 HG SER A 32 -7.858 -10.352 -7.697 1.00 0.00 H new ATOM 450 N SER A 33 -10.244 -12.408 -3.851 1.00 0.00 N ATOM 451 CA SER A 33 -10.551 -12.511 -2.430 1.00 0.00 C ATOM 452 C SER A 33 -9.391 -11.993 -1.584 1.00 0.00 C ATOM 453 O SER A 33 -8.286 -11.787 -2.086 1.00 0.00 O ATOM 454 CB SER A 33 -10.861 -13.962 -2.057 1.00 0.00 C ATOM 455 OG SER A 33 -11.764 -14.027 -0.967 1.00 0.00 O ATOM 0 H SER A 33 -9.505 -13.034 -4.169 1.00 0.00 H new ATOM 0 HA SER A 33 -11.428 -11.896 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.287 -14.479 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.937 -14.480 -1.799 1.00 0.00 H new ATOM 0 HG SER A 33 -11.947 -14.965 -0.749 1.00 0.00 H new ATOM 461 N VAL A 34 -9.652 -11.785 -0.297 1.00 0.00 N ATOM 462 CA VAL A 34 -8.631 -11.293 0.619 1.00 0.00 C ATOM 463 C VAL A 34 -7.355 -12.121 0.517 1.00 0.00 C ATOM 464 O VAL A 34 -6.249 -11.583 0.566 1.00 0.00 O ATOM 465 CB VAL A 34 -9.128 -11.314 2.077 1.00 0.00 C ATOM 466 CG1 VAL A 34 -7.990 -10.993 3.034 1.00 0.00 C ATOM 467 CG2 VAL A 34 -10.282 -10.340 2.260 1.00 0.00 C ATOM 0 H VAL A 34 -10.562 -11.950 0.134 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.417 -10.264 0.330 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.490 -12.317 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.360 -11.012 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.199 -11.734 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.595 -10.002 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.621 -10.368 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.949 -9.332 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.104 -10.622 1.602 1.00 0.00 H new ATOM 477 N GLU A 35 -7.517 -13.433 0.374 1.00 0.00 N ATOM 478 CA GLU A 35 -6.377 -14.335 0.265 1.00 0.00 C ATOM 479 C GLU A 35 -5.542 -14.010 -0.971 1.00 0.00 C ATOM 480 O GLU A 35 -4.333 -13.798 -0.876 1.00 0.00 O ATOM 481 CB GLU A 35 -6.852 -15.788 0.204 1.00 0.00 C ATOM 482 CG GLU A 35 -7.276 -16.346 1.552 1.00 0.00 C ATOM 483 CD GLU A 35 -7.740 -17.787 1.467 1.00 0.00 C ATOM 484 OE1 GLU A 35 -8.926 -18.010 1.144 1.00 0.00 O ATOM 485 OE2 GLU A 35 -6.919 -18.692 1.722 1.00 0.00 O ATOM 0 H GLU A 35 -8.426 -13.894 0.331 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.754 -14.200 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.690 -15.859 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.051 -16.407 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.440 -16.278 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.080 -15.733 1.958 1.00 0.00 H new ATOM 492 N GLN A 36 -6.196 -13.972 -2.127 1.00 0.00 N ATOM 493 CA GLN A 36 -5.514 -13.674 -3.381 1.00 0.00 C ATOM 494 C GLN A 36 -4.864 -12.295 -3.333 1.00 0.00 C ATOM 495 O GLN A 36 -3.817 -12.070 -3.940 1.00 0.00 O ATOM 496 CB GLN A 36 -6.497 -13.748 -4.550 1.00 0.00 C ATOM 497 CG GLN A 36 -6.687 -15.153 -5.098 1.00 0.00 C ATOM 498 CD GLN A 36 -7.216 -16.119 -4.055 1.00 0.00 C ATOM 499 OE1 GLN A 36 -8.087 -15.772 -3.256 1.00 0.00 O ATOM 500 NE2 GLN A 36 -6.692 -17.339 -4.058 1.00 0.00 N ATOM 0 H GLN A 36 -7.197 -14.144 -2.222 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.731 -14.419 -3.526 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.463 -13.360 -4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.145 -13.099 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.377 -15.120 -5.941 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.735 -15.522 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.972 -17.583 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.009 -18.032 -3.380 1.00 0.00 H new ATOM 509 N ILE A 37 -5.493 -11.376 -2.608 1.00 0.00 N ATOM 510 CA ILE A 37 -4.975 -10.019 -2.481 1.00 0.00 C ATOM 511 C ILE A 37 -3.788 -9.971 -1.525 1.00 0.00 C ATOM 512 O ILE A 37 -2.912 -9.114 -1.648 1.00 0.00 O ATOM 513 CB ILE A 37 -6.061 -9.047 -1.982 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.242 -9.024 -2.954 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.482 -7.650 -1.810 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.505 -8.446 -2.357 1.00 0.00 C ATOM 0 H ILE A 37 -6.361 -11.546 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.651 -9.710 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.420 -9.393 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.967 -8.442 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.442 -10.040 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.261 -6.974 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.670 -7.679 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.099 -7.294 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.300 -8.461 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.805 -9.041 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.322 -7.418 -2.043 1.00 0.00 H new ATOM 528 N LEU A 38 -3.763 -10.898 -0.574 1.00 0.00 N ATOM 529 CA LEU A 38 -2.681 -10.964 0.402 1.00 0.00 C ATOM 530 C LEU A 38 -1.430 -11.584 -0.211 1.00 0.00 C ATOM 531 O LEU A 38 -0.309 -11.207 0.126 1.00 0.00 O ATOM 532 CB LEU A 38 -3.119 -11.774 1.624 1.00 0.00 C ATOM 533 CG LEU A 38 -3.852 -10.996 2.718 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.482 -11.950 3.720 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.901 -10.036 3.417 1.00 0.00 C ATOM 0 H LEU A 38 -4.480 -11.614 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.444 -9.947 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.766 -12.583 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.235 -12.236 2.064 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.647 -10.414 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.999 -11.379 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.195 -12.597 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.705 -12.560 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.439 -9.491 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.084 -10.598 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.497 -9.330 2.691 1.00 0.00 H new ATOM 547 N ALA A 39 -1.631 -12.537 -1.116 1.00 0.00 N ATOM 548 CA ALA A 39 -0.520 -13.206 -1.781 1.00 0.00 C ATOM 549 C ALA A 39 0.235 -12.244 -2.691 1.00 0.00 C ATOM 550 O ALA A 39 1.418 -11.978 -2.483 1.00 0.00 O ATOM 551 CB ALA A 39 -1.023 -14.402 -2.575 1.00 0.00 C ATOM 0 H ALA A 39 -2.553 -12.863 -1.405 1.00 0.00 H new ATOM 0 HA ALA A 39 0.171 -13.557 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.182 -14.892 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.511 -15.107 -1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.737 -14.065 -3.327 1.00 0.00 H new ATOM 557 N GLU A 40 -0.456 -11.726 -3.702 1.00 0.00 N ATOM 558 CA GLU A 40 0.151 -10.795 -4.645 1.00 0.00 C ATOM 559 C GLU A 40 0.814 -9.633 -3.911 1.00 0.00 C ATOM 560 O GLU A 40 1.826 -9.095 -4.362 1.00 0.00 O ATOM 561 CB GLU A 40 -0.901 -10.262 -5.620 1.00 0.00 C ATOM 562 CG GLU A 40 -2.086 -9.602 -4.935 1.00 0.00 C ATOM 563 CD GLU A 40 -3.283 -9.454 -5.855 1.00 0.00 C ATOM 564 OE1 GLU A 40 -3.340 -10.175 -6.873 1.00 0.00 O ATOM 565 OE2 GLU A 40 -4.161 -8.618 -5.557 1.00 0.00 O ATOM 0 H GLU A 40 -1.437 -11.936 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 40 0.916 -11.333 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.432 -9.541 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.261 -11.084 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.372 -10.192 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.789 -8.619 -4.570 1.00 0.00 H new ATOM 572 N PHE A 41 0.237 -9.250 -2.777 1.00 0.00 N ATOM 573 CA PHE A 41 0.770 -8.151 -1.980 1.00 0.00 C ATOM 574 C PHE A 41 2.110 -8.531 -1.357 1.00 0.00 C ATOM 575 O PHE A 41 3.052 -7.738 -1.350 1.00 0.00 O ATOM 576 CB PHE A 41 -0.222 -7.760 -0.883 1.00 0.00 C ATOM 577 CG PHE A 41 0.408 -7.010 0.255 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.950 -5.751 0.057 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.457 -7.564 1.524 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.530 -5.057 1.102 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.036 -6.875 2.574 1.00 0.00 C ATOM 582 CZ PHE A 41 1.574 -5.621 2.362 1.00 0.00 C ATOM 0 H PHE A 41 -0.600 -9.685 -2.389 1.00 0.00 H new ATOM 0 HA PHE A 41 0.925 -7.298 -2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.011 -7.147 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.696 -8.661 -0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.919 -5.306 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.038 -8.545 1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.948 -4.076 0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.067 -7.317 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.028 -5.082 3.180 1.00 0.00 H new ATOM 592 N LYS A 42 2.189 -9.750 -0.835 1.00 0.00 N ATOM 593 CA LYS A 42 3.412 -10.238 -0.210 1.00 0.00 C ATOM 594 C LYS A 42 4.572 -10.226 -1.201 1.00 0.00 C ATOM 595 O LYS A 42 5.688 -9.832 -0.861 1.00 0.00 O ATOM 596 CB LYS A 42 3.204 -11.654 0.331 1.00 0.00 C ATOM 597 CG LYS A 42 2.605 -11.691 1.726 1.00 0.00 C ATOM 598 CD LYS A 42 1.771 -12.943 1.942 1.00 0.00 C ATOM 599 CE LYS A 42 1.083 -12.927 3.298 1.00 0.00 C ATOM 600 NZ LYS A 42 2.064 -12.859 4.417 1.00 0.00 N ATOM 0 H LYS A 42 1.419 -10.419 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 42 3.657 -9.572 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.552 -12.202 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.162 -12.174 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.404 -11.652 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.984 -10.808 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.022 -13.023 1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.409 -13.824 1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.409 -12.072 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.471 -13.823 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.570 -13.003 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.783 -13.600 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.524 -11.926 4.419 1.00 0.00 H new ATOM 614 N VAL A 43 4.300 -10.658 -2.428 1.00 0.00 N ATOM 615 CA VAL A 43 5.320 -10.695 -3.469 1.00 0.00 C ATOM 616 C VAL A 43 5.583 -9.301 -4.029 1.00 0.00 C ATOM 617 O VAL A 43 6.733 -8.907 -4.224 1.00 0.00 O ATOM 618 CB VAL A 43 4.911 -11.630 -4.623 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.840 -13.072 -4.141 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.582 -11.193 -5.218 1.00 0.00 C ATOM 0 H VAL A 43 3.382 -10.987 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 43 6.230 -11.077 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 43 5.669 -11.569 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.550 -13.719 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.816 -13.379 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.103 -13.153 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.309 -11.865 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.811 -11.224 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.672 -10.177 -5.601 1.00 0.00 H new ATOM 630 N ARG A 44 4.511 -8.560 -4.287 1.00 0.00 N ATOM 631 CA ARG A 44 4.626 -7.210 -4.825 1.00 0.00 C ATOM 632 C ARG A 44 5.487 -6.335 -3.919 1.00 0.00 C ATOM 633 O ARG A 44 6.288 -5.531 -4.396 1.00 0.00 O ATOM 634 CB ARG A 44 3.240 -6.584 -4.989 1.00 0.00 C ATOM 635 CG ARG A 44 2.591 -6.884 -6.330 1.00 0.00 C ATOM 636 CD ARG A 44 1.074 -6.824 -6.241 1.00 0.00 C ATOM 637 NE ARG A 44 0.435 -7.240 -7.487 1.00 0.00 N ATOM 638 CZ ARG A 44 0.395 -6.486 -8.579 1.00 0.00 C ATOM 639 NH1 ARG A 44 0.953 -5.283 -8.580 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.205 -6.934 -9.675 1.00 0.00 N ATOM 0 H ARG A 44 3.552 -8.872 -4.132 1.00 0.00 H new ATOM 0 HA ARG A 44 5.106 -7.275 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.591 -6.946 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.322 -5.504 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.941 -6.168 -7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.898 -7.873 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.733 -7.464 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.765 -5.807 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.004 -8.160 -7.520 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.415 -4.934 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.920 -4.706 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.636 -7.858 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.235 -6.354 -10.513 1.00 0.00 H new ATOM 654 N ALA A 45 5.316 -6.498 -2.612 1.00 0.00 N ATOM 655 CA ALA A 45 6.079 -5.725 -1.640 1.00 0.00 C ATOM 656 C ALA A 45 7.555 -6.107 -1.670 1.00 0.00 C ATOM 657 O ALA A 45 8.432 -5.245 -1.598 1.00 0.00 O ATOM 658 CB ALA A 45 5.509 -5.923 -0.243 1.00 0.00 C ATOM 0 H ALA A 45 4.656 -7.158 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 45 5.998 -4.671 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.089 -5.340 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.470 -5.593 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.559 -6.979 0.024 1.00 0.00 H new ATOM 664 N LEU A 46 7.823 -7.404 -1.775 1.00 0.00 N ATOM 665 CA LEU A 46 9.194 -7.901 -1.814 1.00 0.00 C ATOM 666 C LEU A 46 9.924 -7.388 -3.052 1.00 0.00 C ATOM 667 O LEU A 46 11.029 -6.855 -2.955 1.00 0.00 O ATOM 668 CB LEU A 46 9.204 -9.430 -1.800 1.00 0.00 C ATOM 669 CG LEU A 46 8.810 -10.092 -0.479 1.00 0.00 C ATOM 670 CD1 LEU A 46 8.216 -11.470 -0.728 1.00 0.00 C ATOM 671 CD2 LEU A 46 10.012 -10.187 0.449 1.00 0.00 C ATOM 0 H LEU A 46 7.109 -8.130 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 46 9.713 -7.532 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.527 -9.785 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.204 -9.769 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 46 8.052 -9.474 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.942 -11.925 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.329 -11.376 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.951 -12.097 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.713 -10.661 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.792 -10.782 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.393 -9.187 0.655 1.00 0.00 H new ATOM 683 N GLU A 47 9.298 -7.551 -4.213 1.00 0.00 N ATOM 684 CA GLU A 47 9.888 -7.103 -5.468 1.00 0.00 C ATOM 685 C GLU A 47 10.340 -5.649 -5.368 1.00 0.00 C ATOM 686 O GLU A 47 11.429 -5.293 -5.821 1.00 0.00 O ATOM 687 CB GLU A 47 8.886 -7.259 -6.613 1.00 0.00 C ATOM 688 CG GLU A 47 8.630 -8.705 -7.006 1.00 0.00 C ATOM 689 CD GLU A 47 9.908 -9.514 -7.115 1.00 0.00 C ATOM 690 OE1 GLU A 47 10.850 -9.047 -7.789 1.00 0.00 O ATOM 691 OE2 GLU A 47 9.967 -10.614 -6.526 1.00 0.00 O ATOM 0 H GLU A 47 8.382 -7.990 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 47 10.761 -7.724 -5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.942 -6.797 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.254 -6.715 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.973 -9.167 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.105 -8.731 -7.961 1.00 0.00 H new ATOM 698 N CYS A 48 9.496 -4.813 -4.773 1.00 0.00 N ATOM 699 CA CYS A 48 9.807 -3.397 -4.615 1.00 0.00 C ATOM 700 C CYS A 48 9.901 -3.022 -3.139 1.00 0.00 C ATOM 701 O CYS A 48 9.305 -2.039 -2.698 1.00 0.00 O ATOM 702 CB CYS A 48 8.745 -2.540 -5.305 1.00 0.00 C ATOM 703 SG CYS A 48 8.750 -2.668 -7.108 1.00 0.00 S ATOM 0 H CYS A 48 8.592 -5.091 -4.392 1.00 0.00 H new ATOM 0 HA CYS A 48 10.774 -3.209 -5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.762 -2.830 -4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.897 -1.498 -5.025 1.00 0.00 H new ATOM 0 HG CYS A 48 7.967 -1.759 -7.610 1.00 0.00 H new ATOM 709 N HIS A 49 10.651 -3.814 -2.379 1.00 0.00 N ATOM 710 CA HIS A 49 10.821 -3.566 -0.952 1.00 0.00 C ATOM 711 C HIS A 49 11.986 -2.613 -0.701 1.00 0.00 C ATOM 712 O HIS A 49 13.028 -2.683 -1.354 1.00 0.00 O ATOM 713 CB HIS A 49 11.054 -4.882 -0.209 1.00 0.00 C ATOM 714 CG HIS A 49 10.545 -4.873 1.199 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.304 -4.455 2.272 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.343 -5.232 1.708 1.00 0.00 C ATOM 717 CE1 HIS A 49 10.592 -4.559 3.380 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.398 -5.028 3.065 1.00 0.00 N ATOM 0 H HIS A 49 11.150 -4.632 -2.727 1.00 0.00 H new ATOM 0 HA HIS A 49 9.908 -3.102 -0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.569 -5.690 -0.757 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.122 -5.100 -0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.498 -5.609 1.151 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.929 -4.304 4.374 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.640 -5.209 3.723 1.00 0.00 H new ATOM 726 N PRO A 50 11.808 -1.701 0.266 1.00 0.00 N ATOM 727 CA PRO A 50 12.833 -0.717 0.624 1.00 0.00 C ATOM 728 C PRO A 50 14.034 -1.356 1.313 1.00 0.00 C ATOM 729 O PRO A 50 15.182 -1.040 1.000 1.00 0.00 O ATOM 730 CB PRO A 50 12.102 0.222 1.587 1.00 0.00 C ATOM 731 CG PRO A 50 11.009 -0.607 2.168 1.00 0.00 C ATOM 732 CD PRO A 50 10.592 -1.561 1.084 1.00 0.00 C ATOM 0 HA PRO A 50 13.242 -0.216 -0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.772 0.594 2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.704 1.093 1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.355 -1.146 3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.172 0.016 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.271 -2.519 1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.759 -1.168 0.501 1.00 0.00 H new ATOM 740 N ASP A 51 13.762 -2.256 2.252 1.00 0.00 N ATOM 741 CA ASP A 51 14.821 -2.940 2.984 1.00 0.00 C ATOM 742 C ASP A 51 15.738 -3.701 2.031 1.00 0.00 C ATOM 743 O ASP A 51 16.962 -3.641 2.149 1.00 0.00 O ATOM 744 CB ASP A 51 14.221 -3.903 4.010 1.00 0.00 C ATOM 745 CG ASP A 51 15.282 -4.637 4.806 1.00 0.00 C ATOM 746 OD1 ASP A 51 15.761 -4.077 5.815 1.00 0.00 O ATOM 747 OD2 ASP A 51 15.633 -5.771 4.420 1.00 0.00 O ATOM 0 H ASP A 51 12.817 -2.528 2.524 1.00 0.00 H new ATOM 0 HA ASP A 51 15.412 -2.187 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.578 -3.347 4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.589 -4.628 3.497 1.00 0.00 H new ATOM 752 N LYS A 52 15.137 -4.416 1.086 1.00 0.00 N ATOM 753 CA LYS A 52 15.898 -5.189 0.111 1.00 0.00 C ATOM 754 C LYS A 52 16.519 -4.276 -0.942 1.00 0.00 C ATOM 755 O LYS A 52 17.540 -4.610 -1.543 1.00 0.00 O ATOM 756 CB LYS A 52 14.996 -6.225 -0.565 1.00 0.00 C ATOM 757 CG LYS A 52 15.591 -6.813 -1.832 1.00 0.00 C ATOM 758 CD LYS A 52 16.606 -7.900 -1.520 1.00 0.00 C ATOM 759 CE LYS A 52 17.206 -8.484 -2.790 1.00 0.00 C ATOM 760 NZ LYS A 52 16.202 -9.257 -3.573 1.00 0.00 N ATOM 0 H LYS A 52 14.125 -4.476 0.974 1.00 0.00 H new ATOM 0 HA LYS A 52 16.701 -5.704 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.792 -7.032 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.039 -5.761 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.795 -7.225 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.069 -6.023 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.400 -7.489 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.127 -8.692 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.606 -7.679 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.043 -9.133 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.677 -9.750 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.741 -9.954 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.486 -8.607 -3.957 1.00 0.00 H new ATOM 774 N HIS A 53 15.896 -3.122 -1.159 1.00 0.00 N ATOM 775 CA HIS A 53 16.389 -2.159 -2.138 1.00 0.00 C ATOM 776 C HIS A 53 16.512 -0.770 -1.520 1.00 0.00 C ATOM 777 O HIS A 53 15.642 0.086 -1.681 1.00 0.00 O ATOM 778 CB HIS A 53 15.459 -2.111 -3.351 1.00 0.00 C ATOM 779 CG HIS A 53 15.447 -3.379 -4.147 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.440 -3.714 -5.044 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.556 -4.398 -4.177 1.00 0.00 C ATOM 782 CE1 HIS A 53 16.159 -4.883 -5.592 1.00 0.00 C ATOM 783 NE2 HIS A 53 15.021 -5.319 -5.083 1.00 0.00 N ATOM 0 H HIS A 53 15.049 -2.831 -0.670 1.00 0.00 H new ATOM 0 HA HIS A 53 17.379 -2.482 -2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.446 -1.894 -3.013 1.00 0.00 H new ATOM 0 HB3 HIS A 53 15.762 -1.288 -3.998 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.648 -4.473 -3.596 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.758 -5.395 -6.331 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.562 -6.197 -5.324 1.00 0.00 H new ATOM 791 N PRO A 54 17.616 -0.539 -0.796 1.00 0.00 N ATOM 792 CA PRO A 54 17.878 0.745 -0.139 1.00 0.00 C ATOM 793 C PRO A 54 18.184 1.856 -1.138 1.00 0.00 C ATOM 794 O PRO A 54 17.762 2.997 -0.958 1.00 0.00 O ATOM 795 CB PRO A 54 19.105 0.455 0.730 1.00 0.00 C ATOM 796 CG PRO A 54 19.787 -0.684 0.054 1.00 0.00 C ATOM 797 CD PRO A 54 18.695 -1.514 -0.562 1.00 0.00 C ATOM 0 HA PRO A 54 17.014 1.099 0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.758 1.325 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.816 0.196 1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.482 -0.327 -0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.368 -1.270 0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.022 -1.982 -1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.375 -2.315 0.104 1.00 0.00 H new ATOM 805 N GLU A 55 18.919 1.512 -2.191 1.00 0.00 N ATOM 806 CA GLU A 55 19.280 2.482 -3.219 1.00 0.00 C ATOM 807 C GLU A 55 18.165 2.621 -4.252 1.00 0.00 C ATOM 808 O GLU A 55 18.426 2.789 -5.442 1.00 0.00 O ATOM 809 CB GLU A 55 20.581 2.067 -3.909 1.00 0.00 C ATOM 810 CG GLU A 55 21.385 3.238 -4.447 1.00 0.00 C ATOM 811 CD GLU A 55 22.495 2.802 -5.384 1.00 0.00 C ATOM 812 OE1 GLU A 55 23.494 2.234 -4.896 1.00 0.00 O ATOM 813 OE2 GLU A 55 22.364 3.029 -6.605 1.00 0.00 O ATOM 0 H GLU A 55 19.276 0.571 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 55 19.426 3.448 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.195 1.510 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.347 1.390 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.718 3.921 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.815 3.792 -3.613 1.00 0.00 H new ATOM 820 N ASN A 56 16.923 2.548 -3.786 1.00 0.00 N ATOM 821 CA ASN A 56 15.768 2.664 -4.669 1.00 0.00 C ATOM 822 C ASN A 56 14.660 3.481 -4.011 1.00 0.00 C ATOM 823 O ASN A 56 13.957 3.012 -3.115 1.00 0.00 O ATOM 824 CB ASN A 56 15.241 1.276 -5.040 1.00 0.00 C ATOM 825 CG ASN A 56 14.179 1.330 -6.121 1.00 0.00 C ATOM 826 OD1 ASN A 56 13.069 0.831 -5.941 1.00 0.00 O ATOM 827 ND2 ASN A 56 14.517 1.939 -7.252 1.00 0.00 N ATOM 0 H ASN A 56 16.690 2.409 -2.803 1.00 0.00 H new ATOM 0 HA ASN A 56 16.086 3.179 -5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.070 0.655 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.827 0.798 -4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.844 2.007 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.450 2.339 -7.357 1.00 0.00 H new ATOM 834 N PRO A 57 14.499 4.733 -4.465 1.00 0.00 N ATOM 835 CA PRO A 57 13.477 5.641 -3.935 1.00 0.00 C ATOM 836 C PRO A 57 12.065 5.215 -4.322 1.00 0.00 C ATOM 837 O PRO A 57 11.094 5.561 -3.648 1.00 0.00 O ATOM 838 CB PRO A 57 13.827 6.984 -4.583 1.00 0.00 C ATOM 839 CG PRO A 57 14.549 6.624 -5.835 1.00 0.00 C ATOM 840 CD PRO A 57 15.301 5.358 -5.530 1.00 0.00 C ATOM 0 HA PRO A 57 13.478 5.664 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.930 7.566 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.451 7.590 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.851 6.474 -6.659 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.230 7.420 -6.135 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.376 4.714 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.318 5.565 -5.198 1.00 0.00 H new ATOM 848 N LYS A 58 11.957 4.460 -5.410 1.00 0.00 N ATOM 849 CA LYS A 58 10.664 3.984 -5.887 1.00 0.00 C ATOM 850 C LYS A 58 10.148 2.846 -5.012 1.00 0.00 C ATOM 851 O LYS A 58 8.975 2.820 -4.639 1.00 0.00 O ATOM 852 CB LYS A 58 10.773 3.516 -7.339 1.00 0.00 C ATOM 853 CG LYS A 58 10.652 4.642 -8.352 1.00 0.00 C ATOM 854 CD LYS A 58 9.199 4.953 -8.670 1.00 0.00 C ATOM 855 CE LYS A 58 8.658 4.036 -9.756 1.00 0.00 C ATOM 856 NZ LYS A 58 7.516 4.654 -10.486 1.00 0.00 N ATOM 0 H LYS A 58 12.750 4.164 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 58 9.957 4.812 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.730 3.014 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.995 2.778 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.140 5.536 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.175 4.366 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.597 4.845 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.110 5.991 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.455 3.799 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.337 3.095 -9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.176 3.998 -11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.746 4.857 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.828 5.539 -10.933 1.00 0.00 H new ATOM 870 N ALA A 59 11.031 1.907 -4.688 1.00 0.00 N ATOM 871 CA ALA A 59 10.665 0.769 -3.855 1.00 0.00 C ATOM 872 C ALA A 59 9.893 1.219 -2.619 1.00 0.00 C ATOM 873 O ALA A 59 8.799 0.726 -2.344 1.00 0.00 O ATOM 874 CB ALA A 59 11.908 -0.010 -3.449 1.00 0.00 C ATOM 0 H ALA A 59 12.005 1.912 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 59 10.016 0.117 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.619 -0.857 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.418 -0.372 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.578 0.641 -2.887 1.00 0.00 H new ATOM 880 N VAL A 60 10.470 2.158 -1.876 1.00 0.00 N ATOM 881 CA VAL A 60 9.836 2.674 -0.669 1.00 0.00 C ATOM 882 C VAL A 60 8.390 3.076 -0.937 1.00 0.00 C ATOM 883 O VAL A 60 7.482 2.685 -0.204 1.00 0.00 O ATOM 884 CB VAL A 60 10.600 3.890 -0.110 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.062 4.275 1.259 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.091 3.596 -0.042 1.00 0.00 C ATOM 0 H VAL A 60 11.375 2.577 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 60 9.856 1.871 0.068 1.00 0.00 H new ATOM 0 HB VAL A 60 10.449 4.733 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.614 5.135 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.005 4.529 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.181 3.437 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.616 4.465 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.264 2.739 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.464 3.373 -1.042 1.00 0.00 H new ATOM 896 N GLU A 61 8.184 3.858 -1.992 1.00 0.00 N ATOM 897 CA GLU A 61 6.848 4.312 -2.356 1.00 0.00 C ATOM 898 C GLU A 61 5.949 3.131 -2.710 1.00 0.00 C ATOM 899 O GLU A 61 4.903 2.924 -2.094 1.00 0.00 O ATOM 900 CB GLU A 61 6.919 5.284 -3.535 1.00 0.00 C ATOM 901 CG GLU A 61 7.153 6.727 -3.121 1.00 0.00 C ATOM 902 CD GLU A 61 6.315 7.134 -1.924 1.00 0.00 C ATOM 903 OE1 GLU A 61 5.149 6.694 -1.838 1.00 0.00 O ATOM 904 OE2 GLU A 61 6.825 7.893 -1.073 1.00 0.00 O ATOM 0 H GLU A 61 8.925 4.190 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 61 6.420 4.826 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.721 4.972 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.990 5.223 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.208 6.867 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.924 7.384 -3.960 1.00 0.00 H new ATOM 911 N THR A 62 6.364 2.358 -3.709 1.00 0.00 N ATOM 912 CA THR A 62 5.597 1.198 -4.148 1.00 0.00 C ATOM 913 C THR A 62 5.221 0.310 -2.968 1.00 0.00 C ATOM 914 O THR A 62 4.198 -0.374 -2.994 1.00 0.00 O ATOM 915 CB THR A 62 6.382 0.362 -5.176 1.00 0.00 C ATOM 916 OG1 THR A 62 7.072 1.226 -6.086 1.00 0.00 O ATOM 917 CG2 THR A 62 5.450 -0.558 -5.950 1.00 0.00 C ATOM 0 H THR A 62 7.227 2.514 -4.230 1.00 0.00 H new ATOM 0 HA THR A 62 4.689 1.578 -4.617 1.00 0.00 H new ATOM 0 HB THR A 62 7.106 -0.250 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.570 0.687 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.027 -1.138 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.948 -1.234 -5.258 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.706 0.038 -6.478 1.00 0.00 H new ATOM 925 N PHE A 63 6.054 0.325 -1.932 1.00 0.00 N ATOM 926 CA PHE A 63 5.808 -0.481 -0.742 1.00 0.00 C ATOM 927 C PHE A 63 4.817 0.212 0.188 1.00 0.00 C ATOM 928 O PHE A 63 3.870 -0.407 0.674 1.00 0.00 O ATOM 929 CB PHE A 63 7.120 -0.747 0.000 1.00 0.00 C ATOM 930 CG PHE A 63 6.975 -1.700 1.151 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.746 -3.048 0.927 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.068 -1.248 2.458 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.612 -3.928 1.985 1.00 0.00 C ATOM 934 CE2 PHE A 63 6.936 -2.123 3.519 1.00 0.00 C ATOM 935 CZ PHE A 63 6.707 -3.465 3.282 1.00 0.00 C ATOM 0 H PHE A 63 6.905 0.886 -1.893 1.00 0.00 H new ATOM 0 HA PHE A 63 5.379 -1.431 -1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.851 -1.147 -0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.517 0.198 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.671 -3.416 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.246 -0.200 2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.433 -4.976 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.012 -1.758 4.533 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.603 -4.150 4.110 1.00 0.00 H new ATOM 945 N GLN A 64 5.043 1.499 0.432 1.00 0.00 N ATOM 946 CA GLN A 64 4.170 2.275 1.305 1.00 0.00 C ATOM 947 C GLN A 64 2.737 2.271 0.785 1.00 0.00 C ATOM 948 O GLN A 64 1.784 2.373 1.558 1.00 0.00 O ATOM 949 CB GLN A 64 4.679 3.713 1.421 1.00 0.00 C ATOM 950 CG GLN A 64 5.848 3.869 2.380 1.00 0.00 C ATOM 951 CD GLN A 64 6.573 5.189 2.207 1.00 0.00 C ATOM 952 OE1 GLN A 64 6.402 5.877 1.201 1.00 0.00 O ATOM 953 NE2 GLN A 64 7.390 5.550 3.190 1.00 0.00 N ATOM 0 H GLN A 64 5.822 2.026 0.038 1.00 0.00 H new ATOM 0 HA GLN A 64 4.180 1.812 2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.980 4.064 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.861 4.354 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.485 3.790 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.551 3.050 2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.502 4.949 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.905 6.428 3.128 1.00 0.00 H new ATOM 962 N LYS A 65 2.590 2.153 -0.530 1.00 0.00 N ATOM 963 CA LYS A 65 1.273 2.135 -1.156 1.00 0.00 C ATOM 964 C LYS A 65 0.712 0.717 -1.201 1.00 0.00 C ATOM 965 O LYS A 65 -0.503 0.518 -1.160 1.00 0.00 O ATOM 966 CB LYS A 65 1.349 2.710 -2.572 1.00 0.00 C ATOM 967 CG LYS A 65 1.957 1.755 -3.584 1.00 0.00 C ATOM 968 CD LYS A 65 2.203 2.439 -4.918 1.00 0.00 C ATOM 969 CE LYS A 65 3.099 3.658 -4.762 1.00 0.00 C ATOM 970 NZ LYS A 65 3.581 4.164 -6.077 1.00 0.00 N ATOM 0 H LYS A 65 3.368 2.068 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 65 0.605 2.753 -0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.345 2.982 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.937 3.627 -2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.897 1.363 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.292 0.904 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.663 1.734 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.251 2.739 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.551 4.448 -4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.954 3.403 -4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.188 4.995 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.125 3.419 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.767 4.432 -6.666 1.00 0.00 H new ATOM 984 N LEU A 66 1.603 -0.264 -1.284 1.00 0.00 N ATOM 985 CA LEU A 66 1.197 -1.664 -1.333 1.00 0.00 C ATOM 986 C LEU A 66 0.599 -2.105 -0.001 1.00 0.00 C ATOM 987 O LEU A 66 -0.498 -2.661 0.044 1.00 0.00 O ATOM 988 CB LEU A 66 2.392 -2.551 -1.687 1.00 0.00 C ATOM 989 CG LEU A 66 2.621 -2.805 -3.177 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.968 -3.474 -3.403 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.498 -3.656 -3.752 1.00 0.00 C ATOM 0 H LEU A 66 2.612 -0.116 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 66 0.434 -1.768 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.292 -2.095 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.265 -3.513 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 66 2.623 -1.845 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.114 -3.647 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.762 -2.828 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.995 -4.427 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.678 -3.827 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.464 -4.613 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.547 -3.139 -3.624 1.00 0.00 H new ATOM 1003 N GLN A 67 1.327 -1.850 1.082 1.00 0.00 N ATOM 1004 CA GLN A 67 0.867 -2.219 2.415 1.00 0.00 C ATOM 1005 C GLN A 67 -0.468 -1.554 2.735 1.00 0.00 C ATOM 1006 O GLN A 67 -1.279 -2.095 3.486 1.00 0.00 O ATOM 1007 CB GLN A 67 1.909 -1.827 3.464 1.00 0.00 C ATOM 1008 CG GLN A 67 2.183 -0.333 3.521 1.00 0.00 C ATOM 1009 CD GLN A 67 3.041 0.058 4.708 1.00 0.00 C ATOM 1010 OE1 GLN A 67 4.078 -0.554 4.967 1.00 0.00 O ATOM 1011 NE2 GLN A 67 2.614 1.084 5.435 1.00 0.00 N ATOM 0 H GLN A 67 2.237 -1.390 1.062 1.00 0.00 H new ATOM 0 HA GLN A 67 0.728 -3.300 2.437 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.570 -2.163 4.444 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.841 -2.351 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.679 -0.023 2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.236 0.205 3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.749 1.562 5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.151 1.394 6.245 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.689 -0.378 2.159 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.926 0.362 2.380 1.00 0.00 C ATOM 1022 C LYS A 68 -3.107 -0.343 1.722 1.00 0.00 C ATOM 1023 O LYS A 68 -3.963 -0.907 2.402 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.798 1.786 1.833 1.00 0.00 C ATOM 1025 CG LYS A 68 -3.094 2.575 1.883 1.00 0.00 C ATOM 1026 CD LYS A 68 -3.403 3.052 3.293 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.753 4.396 3.582 1.00 0.00 C ATOM 1028 NZ LYS A 68 -1.283 4.270 3.779 1.00 0.00 N ATOM 0 H LYS A 68 -0.027 0.084 1.535 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.106 0.407 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.036 2.318 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.450 1.740 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.024 3.433 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.913 1.954 1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.482 3.133 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.050 2.314 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.952 5.080 2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.203 4.833 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.961 4.987 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.062 3.322 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.797 4.413 2.870 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.146 -0.307 0.394 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.221 -0.946 -0.356 1.00 0.00 C ATOM 1044 C ALA A 69 -4.576 -2.303 0.241 1.00 0.00 C ATOM 1045 O ALA A 69 -5.747 -2.604 0.474 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.826 -1.098 -1.818 1.00 0.00 C ATOM 0 H ALA A 69 -2.446 0.158 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.103 -0.309 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.638 -1.576 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.629 -0.115 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.928 -1.712 -1.890 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.558 -3.121 0.487 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.761 -4.447 1.058 1.00 0.00 C ATOM 1054 C LYS A 70 -4.659 -4.377 2.289 1.00 0.00 C ATOM 1055 O LYS A 70 -5.562 -5.197 2.457 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.417 -5.077 1.430 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.522 -6.144 2.506 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.461 -5.540 3.899 1.00 0.00 C ATOM 1059 CE LYS A 70 -2.047 -6.572 4.936 1.00 0.00 C ATOM 1060 NZ LYS A 70 -3.221 -7.301 5.492 1.00 0.00 N ATOM 0 H LYS A 70 -2.583 -2.888 0.299 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.250 -5.067 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.972 -5.516 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.740 -4.294 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.457 -6.691 2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.713 -6.864 2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.753 -4.711 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.436 -5.129 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.358 -7.285 4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.509 -6.078 5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.927 -8.251 5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.600 -6.778 6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.956 -7.384 4.761 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.407 -3.393 3.146 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.194 -3.217 4.360 1.00 0.00 C ATOM 1076 C GLU A 71 -6.558 -2.611 4.042 1.00 0.00 C ATOM 1077 O GLU A 71 -7.595 -3.162 4.411 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.447 -2.325 5.354 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.771 -2.629 6.808 1.00 0.00 C ATOM 1080 CD GLU A 71 -3.731 -2.080 7.764 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -2.922 -1.229 7.338 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -3.726 -2.501 8.940 1.00 0.00 O ATOM 0 H GLU A 71 -3.664 -2.706 3.022 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.348 -4.199 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.374 -2.440 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.689 -1.283 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.745 -2.207 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.848 -3.708 6.941 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.547 -1.473 3.355 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.782 -0.793 2.987 1.00 0.00 C ATOM 1091 C ILE A 72 -8.755 -1.749 2.305 1.00 0.00 C ATOM 1092 O ILE A 72 -9.967 -1.529 2.311 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.510 0.399 2.050 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.541 1.383 2.709 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -8.814 1.095 1.686 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.123 2.090 3.912 1.00 0.00 C ATOM 0 H ILE A 72 -5.697 -1.003 3.043 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.227 -0.425 3.912 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.052 0.025 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.642 0.847 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.235 2.127 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.605 1.935 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.474 0.390 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.297 1.459 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.381 2.771 4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.005 2.654 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.403 1.354 4.666 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.216 -2.813 1.719 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.037 -3.806 1.033 1.00 0.00 C ATOM 1110 C LEU A 73 -9.365 -4.973 1.959 1.00 0.00 C ATOM 1111 O LEU A 73 -10.521 -5.177 2.333 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.316 -4.318 -0.215 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.028 -3.277 -1.298 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.052 -3.831 -2.324 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.319 -2.836 -1.970 1.00 0.00 C ATOM 0 H LEU A 73 -7.215 -3.010 1.705 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.970 -3.328 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.370 -4.764 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.915 -5.115 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.572 -2.406 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.859 -3.077 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.117 -4.096 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.480 -4.718 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.095 -2.095 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.804 -3.698 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.985 -2.398 -1.227 1.00 0.00 H new ATOM 1127 N THR A 74 -8.341 -5.737 2.327 1.00 0.00 N ATOM 1128 CA THR A 74 -8.521 -6.883 3.209 1.00 0.00 C ATOM 1129 C THR A 74 -9.572 -6.597 4.275 1.00 0.00 C ATOM 1130 O THR A 74 -10.266 -7.503 4.735 1.00 0.00 O ATOM 1131 CB THR A 74 -7.200 -7.273 3.899 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.591 -6.115 4.482 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.239 -7.912 2.908 1.00 0.00 C ATOM 0 H THR A 74 -7.378 -5.582 2.028 1.00 0.00 H new ATOM 0 HA THR A 74 -8.856 -7.712 2.586 1.00 0.00 H new ATOM 0 HB THR A 74 -7.425 -7.998 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.815 -5.849 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.314 -8.179 3.419 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.693 -8.809 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.021 -7.206 2.106 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.685 -5.331 4.663 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.654 -4.925 5.676 1.00 0.00 C ATOM 1143 C ASN A 75 -12.008 -4.622 5.042 1.00 0.00 C ATOM 1144 O ASN A 75 -12.125 -3.732 4.200 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.146 -3.697 6.434 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.016 -4.033 7.388 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -9.345 -4.717 8.477 1.00 0.00 O flip ATOM 1148 ND2 ASN A 75 -7.861 -3.682 7.147 1.00 0.00 N flip ATOM 0 H ASN A 75 -9.118 -4.568 4.292 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.778 -5.750 6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.804 -2.948 5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.969 -3.252 6.993 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.654 -3.157 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.111 -3.916 7.797 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.029 -5.368 5.455 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.375 -5.178 4.927 1.00 0.00 C ATOM 1157 C GLU A 76 -14.966 -3.856 5.408 1.00 0.00 C ATOM 1158 O GLU A 76 -15.951 -3.368 4.854 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.280 -6.338 5.348 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.042 -7.614 4.558 1.00 0.00 C ATOM 1161 CD GLU A 76 -15.961 -8.743 4.982 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -15.772 -9.275 6.095 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -16.870 -9.093 4.200 1.00 0.00 O ATOM 0 H GLU A 76 -12.949 -6.108 6.152 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.311 -5.153 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.125 -6.542 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.321 -6.037 5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.187 -7.412 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.006 -7.927 4.685 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.359 -3.284 6.443 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.826 -2.020 6.999 1.00 0.00 C ATOM 1172 C GLU A 77 -14.400 -0.848 6.120 1.00 0.00 C ATOM 1173 O GLU A 77 -15.229 -0.044 5.694 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.286 -1.831 8.418 1.00 0.00 C ATOM 1175 CG GLU A 77 -15.137 -0.909 9.275 1.00 0.00 C ATOM 1176 CD GLU A 77 -15.525 0.366 8.552 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -14.616 1.143 8.191 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -16.737 0.588 8.348 1.00 0.00 O ATOM 0 H GLU A 77 -13.543 -3.676 6.913 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.915 -2.048 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.217 -2.804 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.274 -1.430 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.040 -1.436 9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.590 -0.655 10.183 1.00 0.00 H new ATOM 1185 N SER A 78 -13.101 -0.758 5.853 1.00 0.00 N ATOM 1186 CA SER A 78 -12.562 0.318 5.029 1.00 0.00 C ATOM 1187 C SER A 78 -12.882 0.085 3.556 1.00 0.00 C ATOM 1188 O SER A 78 -13.246 1.014 2.834 1.00 0.00 O ATOM 1189 CB SER A 78 -11.049 0.428 5.223 1.00 0.00 C ATOM 1190 OG SER A 78 -10.602 1.756 5.007 1.00 0.00 O ATOM 0 H SER A 78 -12.402 -1.417 6.195 1.00 0.00 H new ATOM 0 HA SER A 78 -13.030 1.252 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.785 0.112 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.541 -0.247 4.534 1.00 0.00 H new ATOM 0 HG SER A 78 -9.632 1.800 5.139 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.744 -1.161 3.116 1.00 0.00 N ATOM 1197 CA ARG A 79 -13.017 -1.517 1.729 1.00 0.00 C ATOM 1198 C ARG A 79 -14.400 -1.031 1.305 1.00 0.00 C ATOM 1199 O ARG A 79 -14.594 -0.591 0.172 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.916 -3.031 1.539 1.00 0.00 C ATOM 1201 CG ARG A 79 -12.880 -3.461 0.081 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.005 -4.970 -0.057 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.548 -5.440 -1.363 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.495 -6.722 -1.706 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.868 -7.658 -0.844 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.068 -7.070 -2.913 1.00 0.00 N ATOM 0 H ARG A 79 -12.445 -1.942 3.700 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.271 -1.029 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.017 -3.392 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.765 -3.508 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.691 -2.976 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.947 -3.129 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.423 -5.455 0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.045 -5.263 0.090 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.253 -4.745 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.197 -7.394 0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.826 -8.642 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.780 -6.353 -3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.028 -8.055 -3.175 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.358 -1.115 2.223 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.722 -0.683 1.945 1.00 0.00 C ATOM 1222 C ALA A 80 -16.777 0.815 1.663 1.00 0.00 C ATOM 1223 O ALA A 80 -17.035 1.235 0.535 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.635 -1.037 3.109 1.00 0.00 C ATOM 0 H ALA A 80 -15.214 -1.478 3.165 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.068 -1.207 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.651 -0.709 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.628 -2.116 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.282 -0.540 4.013 1.00 0.00 H new ATOM 1230 N ARG A 81 -16.533 1.616 2.695 1.00 0.00 N ATOM 1231 CA ARG A 81 -16.557 3.067 2.559 1.00 0.00 C ATOM 1232 C ARG A 81 -15.754 3.512 1.340 1.00 0.00 C ATOM 1233 O ARG A 81 -16.194 4.369 0.573 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.998 3.729 3.820 1.00 0.00 C ATOM 1235 CG ARG A 81 -16.894 3.573 5.038 1.00 0.00 C ATOM 1236 CD ARG A 81 -16.745 4.747 5.993 1.00 0.00 C ATOM 1237 NE ARG A 81 -17.617 4.619 7.157 1.00 0.00 N ATOM 1238 CZ ARG A 81 -17.322 3.876 8.218 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -16.183 3.198 8.261 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -18.167 3.810 9.239 1.00 0.00 N ATOM 0 H ARG A 81 -16.316 1.284 3.635 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.593 3.377 2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.020 3.301 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.845 4.791 3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.933 3.492 4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.647 2.647 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.708 4.817 6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.976 5.674 5.467 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.501 5.128 7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.531 3.246 7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.959 2.628 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.044 4.330 9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.940 3.239 10.053 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.576 2.923 1.167 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.710 3.261 0.044 1.00 0.00 C ATOM 1256 C TYR A 82 -14.520 3.419 -1.240 1.00 0.00 C ATOM 1257 O TYR A 82 -14.196 4.244 -2.094 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.640 2.184 -0.144 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.800 2.375 -1.387 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.083 3.548 -1.590 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.724 1.384 -2.358 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.315 3.728 -2.724 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.957 1.555 -3.494 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.254 2.728 -3.673 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.490 2.902 -4.804 1.00 0.00 O ATOM 0 H TYR A 82 -14.199 2.209 1.790 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.224 4.211 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.986 2.177 0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.123 1.208 -0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.127 4.332 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.274 0.464 -2.222 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.765 4.646 -2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.908 0.774 -4.238 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.517 2.086 -5.346 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.575 2.622 -1.367 1.00 0.00 N ATOM 1276 CA ASP A 83 -16.434 2.673 -2.544 1.00 0.00 C ATOM 1277 C ASP A 83 -17.301 3.929 -2.531 1.00 0.00 C ATOM 1278 O ASP A 83 -17.542 4.540 -3.572 1.00 0.00 O ATOM 1279 CB ASP A 83 -17.320 1.428 -2.610 1.00 0.00 C ATOM 1280 CG ASP A 83 -18.020 1.286 -3.947 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -17.345 0.927 -4.936 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -19.243 1.531 -4.005 1.00 0.00 O ATOM 0 H ASP A 83 -15.856 1.933 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.796 2.703 -3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.712 0.543 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -18.065 1.473 -1.816 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.766 4.307 -1.345 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.607 5.490 -1.196 1.00 0.00 C ATOM 1289 C HIS A 84 -17.829 6.756 -1.541 1.00 0.00 C ATOM 1290 O HIS A 84 -18.411 7.762 -1.947 1.00 0.00 O ATOM 1291 CB HIS A 84 -19.146 5.582 0.232 1.00 0.00 C ATOM 1292 CG HIS A 84 -20.072 6.739 0.449 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -21.368 6.764 -0.020 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.883 7.915 1.092 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.936 7.907 0.323 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -21.056 8.623 0.999 1.00 0.00 N ATOM 0 H HIS A 84 -17.575 3.812 -0.474 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.445 5.399 -1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.670 4.657 0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -18.307 5.664 0.924 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.978 8.237 1.586 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.948 8.205 0.090 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.221 9.551 1.389 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.512 6.699 -1.377 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.655 7.842 -1.670 1.00 0.00 C ATOM 1306 C TRP A 85 -15.349 7.924 -3.161 1.00 0.00 C ATOM 1307 O TRP A 85 -15.527 8.971 -3.784 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.353 7.746 -0.874 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.354 8.803 -1.240 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.187 10.016 -0.637 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.387 8.739 -2.293 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.174 10.711 -1.252 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.666 9.949 -2.271 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.058 7.777 -3.252 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.639 10.221 -3.171 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.039 8.048 -4.145 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.338 9.261 -4.099 1.00 0.00 C ATOM 0 H TRP A 85 -16.015 5.874 -1.043 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.186 8.748 -1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.579 7.822 0.190 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.908 6.764 -1.036 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.766 10.376 0.200 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.852 11.643 -0.992 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.591 6.839 -3.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.099 11.156 -3.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.778 7.312 -4.891 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.545 9.442 -4.810 1.00 0.00 H new ATOM 1328 N ARG A 86 -14.888 6.814 -3.728 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.556 6.762 -5.147 1.00 0.00 C ATOM 1330 C ARG A 86 -15.641 7.433 -5.984 1.00 0.00 C ATOM 1331 O ARG A 86 -15.354 8.304 -6.806 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.374 5.311 -5.597 1.00 0.00 C ATOM 1333 CG ARG A 86 -12.949 4.803 -5.455 1.00 0.00 C ATOM 1334 CD ARG A 86 -12.811 3.379 -5.971 1.00 0.00 C ATOM 1335 NE ARG A 86 -12.657 3.336 -7.423 1.00 0.00 N ATOM 1336 CZ ARG A 86 -12.408 2.223 -8.103 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -12.287 1.066 -7.467 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -12.281 2.265 -9.424 1.00 0.00 N ATOM 0 H ARG A 86 -14.736 5.939 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.621 7.302 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.038 4.673 -5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.680 5.222 -6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.272 5.457 -6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.650 4.842 -4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.949 2.905 -5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.689 2.802 -5.682 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.746 4.209 -7.943 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.385 1.029 -6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.096 0.213 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.375 3.153 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.090 1.409 -9.945 1.00 0.00 H new ATOM 1352 N ARG A 87 -16.886 7.022 -5.770 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.013 7.582 -6.505 1.00 0.00 C ATOM 1354 C ARG A 87 -18.159 9.074 -6.222 1.00 0.00 C ATOM 1355 O ARG A 87 -18.730 9.815 -7.022 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.305 6.853 -6.134 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.728 7.060 -4.689 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.229 6.887 -4.518 1.00 0.00 C ATOM 1359 NE ARG A 87 -21.985 7.862 -5.300 1.00 0.00 N ATOM 1360 CZ ARG A 87 -22.048 9.154 -5.002 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -21.402 9.626 -3.945 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -22.756 9.979 -5.763 1.00 0.00 N ATOM 0 H ARG A 87 -17.140 6.303 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 87 -17.822 7.448 -7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.106 7.194 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.175 5.786 -6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.204 6.350 -4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -19.436 8.058 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.515 5.880 -4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -21.488 6.988 -3.464 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.493 7.532 -6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -20.855 8.996 -3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -21.452 10.619 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -23.253 9.621 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -22.803 10.971 -5.532 1.00 0.00 H new ATOM 1376 N SER A 88 -17.640 9.508 -5.078 1.00 0.00 N ATOM 1377 CA SER A 88 -17.716 10.911 -4.687 1.00 0.00 C ATOM 1378 C SER A 88 -16.587 11.715 -5.324 1.00 0.00 C ATOM 1379 O SER A 88 -16.673 12.937 -5.444 1.00 0.00 O ATOM 1380 CB SER A 88 -17.654 11.041 -3.164 1.00 0.00 C ATOM 1381 OG SER A 88 -18.860 10.600 -2.564 1.00 0.00 O ATOM 0 H SER A 88 -17.162 8.908 -4.405 1.00 0.00 H new ATOM 0 HA SER A 88 -18.667 11.310 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 88 -16.818 10.456 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.468 12.080 -2.892 1.00 0.00 H new ATOM 0 HG SER A 88 -18.782 9.651 -2.331 1.00 0.00 H new ATOM 1387 N GLN A 89 -15.531 11.019 -5.732 1.00 0.00 N ATOM 1388 CA GLN A 89 -14.384 11.668 -6.356 1.00 0.00 C ATOM 1389 C GLN A 89 -14.122 13.033 -5.728 1.00 0.00 C ATOM 1390 O GLN A 89 -13.939 14.026 -6.432 1.00 0.00 O ATOM 1391 CB GLN A 89 -14.615 11.821 -7.860 1.00 0.00 C ATOM 1392 CG GLN A 89 -16.023 12.270 -8.217 1.00 0.00 C ATOM 1393 CD GLN A 89 -16.190 12.544 -9.699 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -15.711 13.555 -10.213 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -16.873 11.642 -10.394 1.00 0.00 N ATOM 0 H GLN A 89 -15.446 10.007 -5.642 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.509 11.040 -6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.901 12.542 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.411 10.868 -8.349 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -16.734 11.502 -7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -16.266 13.172 -7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -17.252 10.818 -9.927 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -17.018 11.773 -11.395 1.00 0.00 H new ATOM 1404 N MET A 90 -14.106 13.075 -4.400 1.00 0.00 N ATOM 1405 CA MET A 90 -13.866 14.318 -3.678 1.00 0.00 C ATOM 1406 C MET A 90 -12.600 15.004 -4.181 1.00 0.00 C ATOM 1407 O MET A 90 -11.705 14.355 -4.722 1.00 0.00 O ATOM 1408 CB MET A 90 -13.750 14.047 -2.176 1.00 0.00 C ATOM 1409 CG MET A 90 -14.944 13.304 -1.599 1.00 0.00 C ATOM 1410 SD MET A 90 -16.265 14.414 -1.075 1.00 0.00 S ATOM 1411 CE MET A 90 -17.294 13.292 -0.131 1.00 0.00 C ATOM 0 H MET A 90 -14.256 12.262 -3.802 1.00 0.00 H new ATOM 0 HA MET A 90 -14.713 14.981 -3.856 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.846 13.467 -1.988 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.635 14.996 -1.652 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.332 12.611 -2.346 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.618 12.706 -0.748 1.00 0.00 H new ATOM 0 HE1 MET A 90 -18.326 13.644 -0.147 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.244 12.296 -0.570 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.940 13.253 0.899 1.00 0.00 H new ATOM 1421 N SER A 91 -12.532 16.319 -4.001 1.00 0.00 N ATOM 1422 CA SER A 91 -11.377 17.093 -4.441 1.00 0.00 C ATOM 1423 C SER A 91 -10.094 16.560 -3.810 1.00 0.00 C ATOM 1424 O SER A 91 -9.029 16.586 -4.427 1.00 0.00 O ATOM 1425 CB SER A 91 -11.560 18.569 -4.084 1.00 0.00 C ATOM 1426 OG SER A 91 -12.405 19.219 -5.017 1.00 0.00 O ATOM 0 H SER A 91 -13.264 16.871 -3.553 1.00 0.00 H new ATOM 0 HA SER A 91 -11.296 16.996 -5.524 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.984 18.654 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.589 19.064 -4.062 1.00 0.00 H new ATOM 0 HG SER A 91 -12.507 20.161 -4.765 1.00 0.00 H new ATOM 1432 N MET A 92 -10.205 16.077 -2.577 1.00 0.00 N ATOM 1433 CA MET A 92 -9.054 15.536 -1.863 1.00 0.00 C ATOM 1434 C MET A 92 -8.973 14.022 -2.028 1.00 0.00 C ATOM 1435 O MET A 92 -9.971 13.347 -2.280 1.00 0.00 O ATOM 1436 CB MET A 92 -9.134 15.895 -0.378 1.00 0.00 C ATOM 1437 CG MET A 92 -9.866 14.858 0.459 1.00 0.00 C ATOM 1438 SD MET A 92 -11.627 14.777 0.080 1.00 0.00 S ATOM 1439 CE MET A 92 -12.333 15.338 1.628 1.00 0.00 C ATOM 0 H MET A 92 -11.079 16.049 -2.052 1.00 0.00 H new ATOM 0 HA MET A 92 -8.153 15.978 -2.289 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.124 16.018 0.013 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.636 16.856 -0.271 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.417 13.879 0.292 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.736 15.092 1.516 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.387 15.064 1.668 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.805 14.870 2.459 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.237 16.421 1.700 1.00 0.00 H new ATOM 1449 N PRO A 93 -7.757 13.474 -1.885 1.00 0.00 N ATOM 1450 CA PRO A 93 -7.518 12.034 -2.014 1.00 0.00 C ATOM 1451 C PRO A 93 -8.120 11.240 -0.860 1.00 0.00 C ATOM 1452 O PRO A 93 -8.177 11.719 0.273 1.00 0.00 O ATOM 1453 CB PRO A 93 -5.991 11.925 -1.999 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.533 13.134 -1.259 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.523 14.218 -1.584 1.00 0.00 C ATOM 0 HA PRO A 93 -7.980 11.624 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.664 11.010 -1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.586 11.903 -3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.499 12.945 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.527 13.420 -1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.660 14.901 -0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.198 14.818 -2.434 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.568 10.024 -1.154 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.167 9.164 -0.140 1.00 0.00 C ATOM 1465 C PHE A 94 -8.396 9.254 1.174 1.00 0.00 C ATOM 1466 O PHE A 94 -8.973 9.534 2.225 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.199 7.713 -0.626 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.731 6.750 0.397 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.095 6.575 0.559 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -8.866 6.020 1.195 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.587 5.690 1.500 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.351 5.133 2.138 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.714 4.967 2.289 1.00 0.00 C ATOM 0 H PHE A 94 -8.528 9.612 -2.086 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.188 9.505 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -9.813 7.653 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.191 7.410 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.782 7.136 -0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.800 6.145 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.653 5.564 1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.666 4.571 2.755 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.096 4.273 3.023 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.091 9.016 1.105 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.241 9.070 2.289 1.00 0.00 C ATOM 1485 C GLN A 95 -6.695 10.177 3.235 1.00 0.00 C ATOM 1486 O GLN A 95 -6.707 9.999 4.452 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.783 9.292 1.887 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.419 10.756 1.702 1.00 0.00 C ATOM 1489 CD GLN A 95 -2.960 10.954 1.341 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.237 11.693 2.011 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.518 10.293 0.278 1.00 0.00 N ATOM 0 H GLN A 95 -6.599 8.784 0.242 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.325 8.116 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.135 8.859 2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.585 8.757 0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.044 11.186 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.639 11.300 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.152 9.691 -0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.545 10.387 -0.012 1.00 0.00 H new ATOM 1500 N GLN A 96 -7.066 11.319 2.665 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.519 12.455 3.459 1.00 0.00 C ATOM 1502 C GLN A 96 -8.941 12.233 3.966 1.00 0.00 C ATOM 1503 O GLN A 96 -9.178 12.178 5.172 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.455 13.740 2.631 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.951 14.969 3.376 1.00 0.00 C ATOM 1506 CD GLN A 96 -7.459 16.264 2.758 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -8.391 17.098 2.312 1.00 0.00 O flip ATOM 1508 NE2 GLN A 96 -6.255 16.511 2.683 1.00 0.00 N flip ATOM 0 H GLN A 96 -7.062 11.482 1.658 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.857 12.552 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.425 13.908 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.049 13.609 1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.041 14.967 3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.622 14.918 4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.574 15.841 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.939 17.386 2.265 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.881 12.108 3.037 1.00 0.00 N ATOM 1518 CA TRP A 97 -11.280 11.892 3.390 1.00 0.00 C ATOM 1519 C TRP A 97 -11.406 10.876 4.520 1.00 0.00 C ATOM 1520 O TRP A 97 -11.997 11.162 5.560 1.00 0.00 O ATOM 1521 CB TRP A 97 -12.068 11.416 2.169 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.517 11.165 2.458 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.547 12.051 2.316 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.097 9.948 2.941 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.731 11.458 2.682 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.482 10.167 3.068 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.580 8.693 3.276 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.354 9.179 3.516 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.447 7.713 3.721 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -15.822 7.960 3.837 1.00 0.00 C ATOM 0 H TRP A 97 -9.701 12.152 2.034 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.693 12.841 3.732 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.987 12.163 1.379 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.617 10.500 1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -14.445 13.068 1.967 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.647 11.906 2.669 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.522 8.493 3.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.413 9.368 3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.058 6.740 3.984 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.474 7.173 4.186 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.845 9.689 4.308 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.896 8.631 5.310 1.00 0.00 C ATOM 1543 C GLU A 98 -10.368 9.127 6.653 1.00 0.00 C ATOM 1544 O GLU A 98 -10.900 8.781 7.707 1.00 0.00 O ATOM 1545 CB GLU A 98 -10.084 7.420 4.846 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.450 6.640 5.986 1.00 0.00 C ATOM 1547 CD GLU A 98 -10.477 5.958 6.869 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -11.448 5.393 6.323 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -10.309 5.990 8.106 1.00 0.00 O ATOM 0 H GLU A 98 -10.351 9.437 3.452 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.937 8.335 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.733 6.754 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.300 7.757 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.774 5.890 5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.847 7.316 6.592 1.00 0.00 H new ATOM 1556 N ALA A 99 -9.318 9.940 6.605 1.00 0.00 N ATOM 1557 CA ALA A 99 -8.718 10.485 7.816 1.00 0.00 C ATOM 1558 C ALA A 99 -9.754 11.224 8.657 1.00 0.00 C ATOM 1559 O ALA A 99 -9.599 11.363 9.871 1.00 0.00 O ATOM 1560 CB ALA A 99 -7.564 11.412 7.463 1.00 0.00 C ATOM 0 H ALA A 99 -8.865 10.236 5.740 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.334 9.654 8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.126 11.812 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.807 10.856 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.932 12.233 6.848 1.00 0.00 H new ATOM 1566 N LEU A 100 -10.810 11.696 8.005 1.00 0.00 N ATOM 1567 CA LEU A 100 -11.873 12.422 8.693 1.00 0.00 C ATOM 1568 C LEU A 100 -12.730 11.473 9.525 1.00 0.00 C ATOM 1569 O LEU A 100 -12.961 11.707 10.710 1.00 0.00 O ATOM 1570 CB LEU A 100 -12.748 13.164 7.682 1.00 0.00 C ATOM 1571 CG LEU A 100 -12.017 14.110 6.728 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -12.745 14.192 5.395 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -11.878 15.492 7.349 1.00 0.00 C ATOM 0 H LEU A 100 -10.954 11.589 7.001 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.410 13.146 9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -13.287 12.426 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.494 13.739 8.230 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.018 13.713 6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.210 14.870 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.790 13.201 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.757 14.564 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.356 16.151 6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.868 15.898 7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.311 15.419 8.277 1.00 0.00 H new ATOM 1585 N ASN A 101 -13.197 10.400 8.895 1.00 0.00 N ATOM 1586 CA ASN A 101 -14.027 9.414 9.577 1.00 0.00 C ATOM 1587 C ASN A 101 -13.293 8.821 10.776 1.00 0.00 C ATOM 1588 O ASN A 101 -13.840 8.745 11.877 1.00 0.00 O ATOM 1589 CB ASN A 101 -14.432 8.300 8.610 1.00 0.00 C ATOM 1590 CG ASN A 101 -15.736 8.598 7.897 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -16.776 8.022 8.215 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -15.686 9.502 6.926 1.00 0.00 N ATOM 0 H ASN A 101 -13.015 10.191 7.913 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.925 9.918 9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.642 8.158 7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -14.527 7.363 9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -16.532 9.744 6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -14.802 9.955 6.696 1.00 0.00 H new ATOM 1599 N ASP A 102 -12.052 8.402 10.555 1.00 0.00 N ATOM 1600 CA ASP A 102 -11.242 7.817 11.617 1.00 0.00 C ATOM 1601 C ASP A 102 -10.366 8.876 12.278 1.00 0.00 C ATOM 1602 O ASP A 102 -9.179 8.992 11.973 1.00 0.00 O ATOM 1603 CB ASP A 102 -10.370 6.691 11.060 1.00 0.00 C ATOM 1604 CG ASP A 102 -9.944 5.705 12.131 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -10.812 4.957 12.628 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -8.743 5.681 12.471 1.00 0.00 O ATOM 0 H ASP A 102 -11.585 8.457 9.650 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.915 7.407 12.370 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.919 6.162 10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.484 7.119 10.591 1.00 0.00 H new ATOM 1611 N SER A 103 -10.959 9.648 13.183 1.00 0.00 N ATOM 1612 CA SER A 103 -10.234 10.701 13.883 1.00 0.00 C ATOM 1613 C SER A 103 -8.848 10.221 14.302 1.00 0.00 C ATOM 1614 O SER A 103 -8.681 9.087 14.751 1.00 0.00 O ATOM 1615 CB SER A 103 -11.020 11.159 15.113 1.00 0.00 C ATOM 1616 OG SER A 103 -10.630 12.462 15.512 1.00 0.00 O ATOM 0 H SER A 103 -11.940 9.564 13.449 1.00 0.00 H new ATOM 0 HA SER A 103 -10.117 11.543 13.200 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.087 11.147 14.891 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.857 10.460 15.933 1.00 0.00 H new ATOM 0 HG SER A 103 -11.148 12.732 16.299 1.00 0.00 H new ATOM 1622 N VAL A 104 -7.856 11.092 14.151 1.00 0.00 N ATOM 1623 CA VAL A 104 -6.483 10.759 14.513 1.00 0.00 C ATOM 1624 C VAL A 104 -5.762 11.966 15.102 1.00 0.00 C ATOM 1625 O VAL A 104 -5.506 12.950 14.408 1.00 0.00 O ATOM 1626 CB VAL A 104 -5.691 10.244 13.297 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -5.633 11.306 12.209 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -4.291 9.820 13.714 1.00 0.00 C ATOM 0 H VAL A 104 -7.977 12.034 13.780 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.536 9.970 15.263 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.205 9.372 12.893 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.069 10.924 11.358 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.645 11.557 11.891 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.143 12.199 12.598 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.745 9.459 12.842 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.765 10.673 14.143 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.358 9.024 14.456 1.00 0.00 H new ATOM 1638 N LYS A 105 -5.436 11.883 16.388 1.00 0.00 N ATOM 1639 CA LYS A 105 -4.741 12.968 17.072 1.00 0.00 C ATOM 1640 C LYS A 105 -3.264 12.994 16.692 1.00 0.00 C ATOM 1641 O LYS A 105 -2.714 14.046 16.367 1.00 0.00 O ATOM 1642 CB LYS A 105 -4.886 12.817 18.588 1.00 0.00 C ATOM 1643 CG LYS A 105 -6.222 13.303 19.123 1.00 0.00 C ATOM 1644 CD LYS A 105 -7.345 12.338 18.782 1.00 0.00 C ATOM 1645 CE LYS A 105 -7.250 11.061 19.603 1.00 0.00 C ATOM 1646 NZ LYS A 105 -8.381 10.134 19.320 1.00 0.00 N ATOM 0 H LYS A 105 -5.642 11.076 16.977 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.194 13.909 16.761 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.758 11.768 18.854 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.085 13.370 19.078 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.160 13.422 20.205 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.446 14.285 18.706 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.307 12.818 18.964 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.306 12.093 17.721 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.307 10.560 19.387 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.242 11.311 20.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.280 9.276 19.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.280 10.603 19.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.374 9.875 18.313 1.00 0.00 H new ATOM 1660 N THR A 106 -2.626 11.828 16.734 1.00 0.00 N ATOM 1661 CA THR A 106 -1.214 11.717 16.394 1.00 0.00 C ATOM 1662 C THR A 106 -0.433 12.932 16.884 1.00 0.00 C ATOM 1663 O THR A 106 0.454 13.431 16.192 1.00 0.00 O ATOM 1664 CB THR A 106 -1.011 11.570 14.874 1.00 0.00 C ATOM 1665 OG1 THR A 106 0.380 11.403 14.579 1.00 0.00 O ATOM 1666 CG2 THR A 106 -1.549 12.787 14.136 1.00 0.00 C ATOM 0 H THR A 106 -3.066 10.947 17.000 1.00 0.00 H new ATOM 0 HA THR A 106 -0.839 10.822 16.891 1.00 0.00 H new ATOM 0 HB THR A 106 -1.561 10.690 14.540 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.892 12.128 14.994 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.395 12.660 13.064 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.615 12.894 14.339 1.00 0.00 H new ATOM 0 HG23 THR A 106 -1.024 13.680 14.475 1.00 0.00 H new ATOM 1674 N SER A 107 -0.770 13.402 18.081 1.00 0.00 N ATOM 1675 CA SER A 107 -0.102 14.561 18.661 1.00 0.00 C ATOM 1676 C SER A 107 1.372 14.266 18.921 1.00 0.00 C ATOM 1677 O SER A 107 1.718 13.560 19.867 1.00 0.00 O ATOM 1678 CB SER A 107 -0.788 14.971 19.966 1.00 0.00 C ATOM 1679 OG SER A 107 -1.938 15.760 19.711 1.00 0.00 O ATOM 0 H SER A 107 -1.501 12.998 18.667 1.00 0.00 H new ATOM 0 HA SER A 107 -0.170 15.382 17.948 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.071 14.081 20.527 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.089 15.531 20.588 1.00 0.00 H new ATOM 0 HG SER A 107 -2.360 16.008 20.560 1.00 0.00 H new ATOM 1685 N GLY A 108 2.237 14.811 18.071 1.00 0.00 N ATOM 1686 CA GLY A 108 3.664 14.595 18.224 1.00 0.00 C ATOM 1687 C GLY A 108 4.420 14.769 16.921 1.00 0.00 C ATOM 1688 O GLY A 108 4.702 13.806 16.209 1.00 0.00 O ATOM 0 H GLY A 108 1.975 15.398 17.279 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.057 15.292 18.964 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.837 13.590 18.609 1.00 0.00 H new ATOM 1692 N PRO A 109 4.758 16.025 16.592 1.00 0.00 N ATOM 1693 CA PRO A 109 5.489 16.352 15.364 1.00 0.00 C ATOM 1694 C PRO A 109 6.934 15.868 15.404 1.00 0.00 C ATOM 1695 O PRO A 109 7.641 15.910 14.397 1.00 0.00 O ATOM 1696 CB PRO A 109 5.437 17.881 15.317 1.00 0.00 C ATOM 1697 CG PRO A 109 5.274 18.298 16.738 1.00 0.00 C ATOM 1698 CD PRO A 109 4.454 17.222 17.394 1.00 0.00 C ATOM 0 HA PRO A 109 5.053 15.870 14.489 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.348 18.295 14.885 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.606 18.230 14.704 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.242 18.404 17.227 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.775 19.265 16.806 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.731 17.086 18.439 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.390 17.459 17.375 1.00 0.00 H new ATOM 1706 N SER A 110 7.368 15.409 16.573 1.00 0.00 N ATOM 1707 CA SER A 110 8.731 14.921 16.745 1.00 0.00 C ATOM 1708 C SER A 110 8.971 13.672 15.901 1.00 0.00 C ATOM 1709 O SER A 110 8.304 12.653 16.078 1.00 0.00 O ATOM 1710 CB SER A 110 9.004 14.614 18.219 1.00 0.00 C ATOM 1711 OG SER A 110 8.288 13.468 18.642 1.00 0.00 O ATOM 0 H SER A 110 6.795 15.365 17.416 1.00 0.00 H new ATOM 0 HA SER A 110 9.415 15.702 16.411 1.00 0.00 H new ATOM 0 HB2 SER A 110 10.072 14.455 18.369 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.720 15.470 18.831 1.00 0.00 H new ATOM 0 HG SER A 110 7.928 13.000 17.860 1.00 0.00 H new ATOM 1717 N SER A 111 9.929 13.761 14.984 1.00 0.00 N ATOM 1718 CA SER A 111 10.255 12.640 14.109 1.00 0.00 C ATOM 1719 C SER A 111 11.435 11.846 14.661 1.00 0.00 C ATOM 1720 O SER A 111 11.364 10.626 14.804 1.00 0.00 O ATOM 1721 CB SER A 111 10.579 13.143 12.701 1.00 0.00 C ATOM 1722 OG SER A 111 9.394 13.381 11.960 1.00 0.00 O ATOM 0 H SER A 111 10.493 14.597 14.827 1.00 0.00 H new ATOM 0 HA SER A 111 9.387 11.983 14.062 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.163 14.061 12.765 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.195 12.409 12.182 1.00 0.00 H new ATOM 0 HG SER A 111 9.627 13.703 11.064 1.00 0.00 H new ATOM 1728 N GLY A 112 12.521 12.549 14.971 1.00 0.00 N ATOM 1729 CA GLY A 112 13.701 11.894 15.504 1.00 0.00 C ATOM 1730 C GLY A 112 14.397 11.026 14.475 1.00 0.00 C ATOM 1731 O GLY A 112 13.935 9.928 14.164 1.00 0.00 O ATOM 0 H GLY A 112 12.604 13.560 14.862 1.00 0.00 H new ATOM 0 HA2 GLY A 112 14.398 12.648 15.869 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.417 11.281 16.360 1.00 0.00 H new TER 1735 GLY A 112