USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 GLY N :NH3+ -133:sc= 0.00345 (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= 0.0869 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -161:sc= 0.287 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0.342 (180deg=0.336) USER MOD Single : A 19 MET CE :methyl -171:sc= 0 (180deg=-0.115) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.49) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00814 USER MOD Single : A 52 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.16) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= 1.8 (180deg=0.66!) USER MOD Single : A 75 SER OG : rot 180:sc= 0.06 USER MOD Single : A 76 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.0026) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0574) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 91 SER OG : rot 73:sc= 1.15 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.287 4.239 -20.164 1.00 0.00 N ATOM 2 CA GLY A 1 -5.696 5.036 -18.999 1.00 0.00 C ATOM 3 C GLY A 1 -7.145 5.456 -19.125 1.00 0.00 C ATOM 4 O GLY A 1 -7.995 4.633 -19.469 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.780 3.390 -19.843 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.130 3.956 -20.704 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.662 4.807 -20.771 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.558 4.455 -18.087 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.062 5.918 -18.914 1.00 0.00 H new ATOM 8 N SER A 2 -7.424 6.739 -18.873 1.00 0.00 N ATOM 9 CA SER A 2 -8.752 7.343 -18.881 1.00 0.00 C ATOM 10 C SER A 2 -9.730 6.614 -17.945 1.00 0.00 C ATOM 11 O SER A 2 -9.759 6.940 -16.757 1.00 0.00 O ATOM 12 CB SER A 2 -9.238 7.511 -20.323 1.00 0.00 C ATOM 13 OG SER A 2 -8.225 8.093 -21.126 1.00 0.00 O ATOM 0 H SER A 2 -6.692 7.413 -18.648 1.00 0.00 H new ATOM 0 HA SER A 2 -8.696 8.346 -18.459 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.522 6.541 -20.732 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.129 8.138 -20.341 1.00 0.00 H new ATOM 0 HG SER A 2 -8.552 8.191 -22.045 1.00 0.00 H new ATOM 19 N SER A 3 -10.496 5.622 -18.411 1.00 0.00 N ATOM 20 CA SER A 3 -11.401 4.830 -17.578 1.00 0.00 C ATOM 21 C SER A 3 -10.619 3.989 -16.550 1.00 0.00 C ATOM 22 O SER A 3 -9.392 3.873 -16.630 1.00 0.00 O ATOM 23 CB SER A 3 -12.251 3.921 -18.485 1.00 0.00 C ATOM 24 OG SER A 3 -13.629 3.998 -18.158 1.00 0.00 O ATOM 0 H SER A 3 -10.503 5.344 -19.392 1.00 0.00 H new ATOM 0 HA SER A 3 -12.052 5.504 -17.021 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.107 4.208 -19.527 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.911 2.890 -18.389 1.00 0.00 H new ATOM 0 HG SER A 3 -14.140 3.411 -18.753 1.00 0.00 H new ATOM 30 N GLY A 4 -11.325 3.351 -15.612 1.00 0.00 N ATOM 31 CA GLY A 4 -10.737 2.407 -14.667 1.00 0.00 C ATOM 32 C GLY A 4 -10.674 3.008 -13.269 1.00 0.00 C ATOM 33 O GLY A 4 -9.791 3.810 -12.966 1.00 0.00 O ATOM 0 H GLY A 4 -12.329 3.479 -15.489 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.327 1.491 -14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.734 2.134 -14.996 1.00 0.00 H new ATOM 37 N SER A 5 -11.625 2.626 -12.426 1.00 0.00 N ATOM 38 CA SER A 5 -11.706 2.997 -11.018 1.00 0.00 C ATOM 39 C SER A 5 -10.806 2.107 -10.154 1.00 0.00 C ATOM 40 O SER A 5 -10.112 2.611 -9.268 1.00 0.00 O ATOM 41 CB SER A 5 -13.165 2.903 -10.532 1.00 0.00 C ATOM 42 OG SER A 5 -14.070 2.376 -11.503 1.00 0.00 O ATOM 0 H SER A 5 -12.394 2.023 -12.717 1.00 0.00 H new ATOM 0 HA SER A 5 -11.357 4.025 -10.919 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.200 2.277 -9.641 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.503 3.896 -10.237 1.00 0.00 H new ATOM 0 HG SER A 5 -14.974 2.344 -11.125 1.00 0.00 H new ATOM 48 N SER A 6 -10.844 0.798 -10.407 1.00 0.00 N ATOM 49 CA SER A 6 -10.307 -0.268 -9.562 1.00 0.00 C ATOM 50 C SER A 6 -10.390 -1.590 -10.348 1.00 0.00 C ATOM 51 O SER A 6 -10.719 -1.557 -11.541 1.00 0.00 O ATOM 52 CB SER A 6 -11.090 -0.294 -8.234 1.00 0.00 C ATOM 53 OG SER A 6 -12.465 -0.013 -8.418 1.00 0.00 O ATOM 0 H SER A 6 -11.275 0.433 -11.256 1.00 0.00 H new ATOM 0 HA SER A 6 -9.260 -0.103 -9.306 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.980 -1.274 -7.769 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.661 0.435 -7.547 1.00 0.00 H new ATOM 0 HG SER A 6 -12.923 -0.041 -7.552 1.00 0.00 H new ATOM 59 N GLY A 7 -10.057 -2.732 -9.740 1.00 0.00 N ATOM 60 CA GLY A 7 -10.053 -4.046 -10.371 1.00 0.00 C ATOM 61 C GLY A 7 -8.643 -4.448 -10.797 1.00 0.00 C ATOM 62 O GLY A 7 -7.748 -3.602 -10.888 1.00 0.00 O ATOM 0 H GLY A 7 -9.774 -2.763 -8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.452 -4.787 -9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.710 -4.037 -11.241 1.00 0.00 H new ATOM 66 N GLU A 8 -8.490 -5.747 -11.055 1.00 0.00 N ATOM 67 CA GLU A 8 -7.320 -6.532 -11.446 1.00 0.00 C ATOM 68 C GLU A 8 -5.978 -5.793 -11.356 1.00 0.00 C ATOM 69 O GLU A 8 -5.545 -5.064 -12.251 1.00 0.00 O ATOM 70 CB GLU A 8 -7.515 -7.155 -12.832 1.00 0.00 C ATOM 71 CG GLU A 8 -6.723 -8.464 -13.016 1.00 0.00 C ATOM 72 CD GLU A 8 -7.269 -9.654 -12.217 1.00 0.00 C ATOM 73 OE1 GLU A 8 -8.235 -9.505 -11.436 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.713 -10.774 -12.336 1.00 0.00 O ATOM 0 H GLU A 8 -9.303 -6.359 -10.983 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.252 -7.322 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.575 -7.352 -12.991 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.206 -6.439 -13.594 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.717 -8.725 -14.074 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.687 -8.291 -12.725 1.00 0.00 H new ATOM 81 N TYR A 9 -5.294 -6.040 -10.249 1.00 0.00 N ATOM 82 CA TYR A 9 -3.964 -5.515 -9.983 1.00 0.00 C ATOM 83 C TYR A 9 -2.994 -6.041 -11.044 1.00 0.00 C ATOM 84 O TYR A 9 -3.014 -7.230 -11.373 1.00 0.00 O ATOM 85 CB TYR A 9 -3.498 -5.912 -8.573 1.00 0.00 C ATOM 86 CG TYR A 9 -4.467 -5.590 -7.443 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.709 -4.254 -7.068 1.00 0.00 C ATOM 88 CD2 TYR A 9 -5.119 -6.633 -6.752 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.593 -3.964 -6.012 1.00 0.00 C ATOM 90 CE2 TYR A 9 -6.008 -6.348 -5.697 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.245 -5.007 -5.318 1.00 0.00 C ATOM 92 OH TYR A 9 -7.100 -4.706 -4.301 1.00 0.00 O ATOM 0 H TYR A 9 -5.656 -6.623 -9.495 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.989 -4.426 -10.030 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.301 -6.984 -8.564 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.551 -5.412 -8.369 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.215 -3.450 -7.592 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.935 -7.659 -7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.774 -2.937 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.508 -7.153 -5.179 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.230 -5.498 -3.738 1.00 0.00 H new ATOM 102 N LYS A 10 -2.126 -5.176 -11.569 1.00 0.00 N ATOM 103 CA LYS A 10 -1.001 -5.536 -12.428 1.00 0.00 C ATOM 104 C LYS A 10 0.238 -4.782 -11.958 1.00 0.00 C ATOM 105 O LYS A 10 0.112 -3.847 -11.161 1.00 0.00 O ATOM 106 CB LYS A 10 -1.327 -5.215 -13.897 1.00 0.00 C ATOM 107 CG LYS A 10 -2.460 -6.101 -14.428 1.00 0.00 C ATOM 108 CD LYS A 10 -2.462 -6.246 -15.952 1.00 0.00 C ATOM 109 CE LYS A 10 -1.275 -7.097 -16.425 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.269 -7.275 -17.889 1.00 0.00 N ATOM 0 H LYS A 10 -2.190 -4.172 -11.401 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.810 -6.607 -12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.611 -4.167 -13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.436 -5.357 -14.508 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.378 -7.090 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.416 -5.684 -14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.396 -6.706 -16.276 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.415 -5.260 -16.415 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.344 -6.624 -16.114 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.314 -8.073 -15.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.451 -7.855 -18.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.146 -7.750 -18.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.206 -6.346 -18.351 1.00 0.00 H new ATOM 124 N ALA A 11 1.412 -5.175 -12.469 1.00 0.00 N ATOM 125 CA ALA A 11 2.701 -4.575 -12.140 1.00 0.00 C ATOM 126 C ALA A 11 2.613 -3.052 -12.235 1.00 0.00 C ATOM 127 O ALA A 11 2.009 -2.520 -13.168 1.00 0.00 O ATOM 128 CB ALA A 11 3.792 -5.111 -13.078 1.00 0.00 C ATOM 0 H ALA A 11 1.488 -5.940 -13.140 1.00 0.00 H new ATOM 0 HA ALA A 11 2.963 -4.844 -11.117 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.748 -4.655 -12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.865 -6.193 -12.970 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.538 -4.866 -14.109 1.00 0.00 H new ATOM 134 N GLY A 12 3.245 -2.359 -11.290 1.00 0.00 N ATOM 135 CA GLY A 12 3.308 -0.908 -11.288 1.00 0.00 C ATOM 136 C GLY A 12 2.071 -0.257 -10.680 1.00 0.00 C ATOM 137 O GLY A 12 1.783 0.888 -11.031 1.00 0.00 O ATOM 0 H GLY A 12 3.728 -2.794 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.190 -0.589 -10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.432 -0.554 -12.312 1.00 0.00 H new ATOM 141 N ASP A 13 1.336 -0.937 -9.795 1.00 0.00 N ATOM 142 CA ASP A 13 0.347 -0.277 -8.940 1.00 0.00 C ATOM 143 C ASP A 13 0.837 -0.272 -7.498 1.00 0.00 C ATOM 144 O ASP A 13 1.771 -0.994 -7.131 1.00 0.00 O ATOM 145 CB ASP A 13 -1.049 -0.923 -9.015 1.00 0.00 C ATOM 146 CG ASP A 13 -2.177 0.103 -8.816 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.944 1.230 -8.316 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.332 -0.221 -9.168 1.00 0.00 O ATOM 0 H ASP A 13 1.408 -1.944 -9.653 1.00 0.00 H new ATOM 0 HA ASP A 13 0.240 0.743 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.170 -1.410 -9.983 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.129 -1.700 -8.255 1.00 0.00 H new ATOM 153 N LEU A 14 0.165 0.517 -6.671 1.00 0.00 N ATOM 154 CA LEU A 14 0.344 0.624 -5.238 1.00 0.00 C ATOM 155 C LEU A 14 -0.878 0.001 -4.598 1.00 0.00 C ATOM 156 O LEU A 14 -1.999 0.233 -5.065 1.00 0.00 O ATOM 157 CB LEU A 14 0.461 2.108 -4.849 1.00 0.00 C ATOM 158 CG LEU A 14 1.687 2.802 -5.462 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.759 4.257 -4.986 1.00 0.00 C ATOM 160 CD2 LEU A 14 2.963 2.011 -5.155 1.00 0.00 C ATOM 0 H LEU A 14 -0.568 1.139 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 14 1.250 0.117 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.441 2.632 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.511 2.189 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 14 1.590 2.824 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.631 4.741 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.857 4.786 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.840 4.281 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.821 2.518 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.098 1.943 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.879 1.008 -5.574 1.00 0.00 H new ATOM 172 N VAL A 15 -0.681 -0.773 -3.533 1.00 0.00 N ATOM 173 CA VAL A 15 -1.752 -1.420 -2.784 1.00 0.00 C ATOM 174 C VAL A 15 -1.422 -1.354 -1.288 1.00 0.00 C ATOM 175 O VAL A 15 -0.345 -0.897 -0.895 1.00 0.00 O ATOM 176 CB VAL A 15 -1.998 -2.846 -3.332 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.317 -2.792 -4.834 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.827 -3.803 -3.100 1.00 0.00 C ATOM 0 H VAL A 15 0.248 -0.971 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.700 -0.898 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.847 -3.239 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.488 -3.802 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.211 -2.190 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.478 -2.345 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.071 -4.783 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.064 -3.415 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.638 -3.894 -2.030 1.00 0.00 H new ATOM 188 N PHE A 16 -2.336 -1.812 -0.437 1.00 0.00 N ATOM 189 CA PHE A 16 -1.975 -2.236 0.909 1.00 0.00 C ATOM 190 C PHE A 16 -2.101 -3.754 0.996 1.00 0.00 C ATOM 191 O PHE A 16 -2.916 -4.349 0.281 1.00 0.00 O ATOM 192 CB PHE A 16 -2.842 -1.536 1.959 1.00 0.00 C ATOM 193 CG PHE A 16 -2.741 -0.022 1.958 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.668 0.620 2.610 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.709 0.752 1.291 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.573 2.025 2.601 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.612 2.154 1.298 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.558 2.797 1.967 1.00 0.00 C ATOM 0 H PHE A 16 -3.328 -1.898 -0.656 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.943 -1.952 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.883 -1.817 1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.562 -1.905 2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.917 0.033 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.525 0.269 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.738 2.510 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.356 2.743 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.506 3.875 1.993 1.00 0.00 H new ATOM 208 N ALA A 17 -1.301 -4.351 1.882 1.00 0.00 N ATOM 209 CA ALA A 17 -1.266 -5.779 2.160 1.00 0.00 C ATOM 210 C ALA A 17 -1.226 -5.993 3.680 1.00 0.00 C ATOM 211 O ALA A 17 -0.628 -5.199 4.412 1.00 0.00 O ATOM 212 CB ALA A 17 -0.059 -6.393 1.449 1.00 0.00 C ATOM 0 H ALA A 17 -0.633 -3.826 2.447 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.159 -6.276 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.024 -7.464 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.147 -6.229 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.855 -5.925 1.814 1.00 0.00 H new ATOM 218 N LYS A 18 -1.831 -7.070 4.185 1.00 0.00 N ATOM 219 CA LYS A 18 -2.159 -7.233 5.602 1.00 0.00 C ATOM 220 C LYS A 18 -1.746 -8.641 6.014 1.00 0.00 C ATOM 221 O LYS A 18 -2.462 -9.601 5.736 1.00 0.00 O ATOM 222 CB LYS A 18 -3.687 -7.040 5.711 1.00 0.00 C ATOM 223 CG LYS A 18 -4.318 -7.130 7.105 1.00 0.00 C ATOM 224 CD LYS A 18 -3.956 -5.890 7.929 1.00 0.00 C ATOM 225 CE LYS A 18 -4.980 -5.571 9.022 1.00 0.00 C ATOM 226 NZ LYS A 18 -5.079 -6.620 10.051 1.00 0.00 N ATOM 0 H LYS A 18 -2.111 -7.866 3.612 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.647 -6.522 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.932 -6.063 5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.166 -7.787 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.401 -7.214 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.968 -8.029 7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.979 -6.040 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.867 -5.032 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.711 -4.628 9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.958 -5.428 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.724 -6.307 10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.445 -7.494 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.138 -6.801 10.454 1.00 0.00 H new ATOM 240 N MET A 19 -0.640 -8.771 6.746 1.00 0.00 N ATOM 241 CA MET A 19 -0.167 -10.075 7.215 1.00 0.00 C ATOM 242 C MET A 19 -0.789 -10.410 8.568 1.00 0.00 C ATOM 243 O MET A 19 -1.351 -9.547 9.246 1.00 0.00 O ATOM 244 CB MET A 19 1.369 -10.114 7.251 1.00 0.00 C ATOM 245 CG MET A 19 1.951 -10.395 5.862 1.00 0.00 C ATOM 246 SD MET A 19 3.753 -10.617 5.831 1.00 0.00 S ATOM 247 CE MET A 19 4.316 -8.979 6.372 1.00 0.00 C ATOM 0 H MET A 19 -0.052 -7.987 7.028 1.00 0.00 H new ATOM 0 HA MET A 19 -0.487 -10.844 6.512 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.751 -9.163 7.622 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.699 -10.884 7.949 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.480 -11.292 5.459 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.688 -9.571 5.198 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.397 -8.907 6.250 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.831 -8.210 5.770 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.058 -8.834 7.421 1.00 0.00 H new ATOM 257 N LYS A 20 -0.650 -11.674 8.977 1.00 0.00 N ATOM 258 CA LYS A 20 -1.098 -12.213 10.256 1.00 0.00 C ATOM 259 C LYS A 20 -0.575 -11.321 11.389 1.00 0.00 C ATOM 260 O LYS A 20 0.641 -11.184 11.565 1.00 0.00 O ATOM 261 CB LYS A 20 -0.637 -13.684 10.352 1.00 0.00 C ATOM 262 CG LYS A 20 -1.537 -14.554 11.244 1.00 0.00 C ATOM 263 CD LYS A 20 -1.086 -16.023 11.211 1.00 0.00 C ATOM 264 CE LYS A 20 -2.048 -16.953 11.960 1.00 0.00 C ATOM 265 NZ LYS A 20 -1.672 -18.377 11.800 1.00 0.00 N ATOM 0 H LYS A 20 -0.200 -12.380 8.394 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.184 -12.212 10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.609 -14.113 9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.381 -13.712 10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.508 -14.183 12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.571 -14.479 10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.003 -16.350 10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.092 -16.104 11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.052 -16.695 13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.062 -16.801 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.346 -18.974 12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.692 -18.630 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.714 -18.527 12.176 1.00 0.00 H new ATOM 279 N GLY A 21 -1.476 -10.639 12.094 1.00 0.00 N ATOM 280 CA GLY A 21 -1.186 -9.735 13.201 1.00 0.00 C ATOM 281 C GLY A 21 -0.856 -8.301 12.773 1.00 0.00 C ATOM 282 O GLY A 21 -1.261 -7.368 13.478 1.00 0.00 O ATOM 0 H GLY A 21 -2.475 -10.706 11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.045 -9.713 13.872 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.347 -10.134 13.771 1.00 0.00 H new ATOM 286 N TYR A 22 -0.163 -8.100 11.648 1.00 0.00 N ATOM 287 CA TYR A 22 0.236 -6.791 11.113 1.00 0.00 C ATOM 288 C TYR A 22 -0.973 -5.917 10.730 1.00 0.00 C ATOM 289 O TYR A 22 -2.099 -6.416 10.618 1.00 0.00 O ATOM 290 CB TYR A 22 1.171 -7.002 9.901 1.00 0.00 C ATOM 291 CG TYR A 22 2.588 -7.410 10.267 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.533 -6.435 10.649 1.00 0.00 C ATOM 293 CD2 TYR A 22 2.967 -8.766 10.227 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.833 -6.813 11.026 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.267 -9.150 10.597 1.00 0.00 C ATOM 296 CZ TYR A 22 5.203 -8.175 10.999 1.00 0.00 C ATOM 297 OH TYR A 22 6.399 -8.567 11.509 1.00 0.00 O ATOM 0 H TYR A 22 0.148 -8.874 11.061 1.00 0.00 H new ATOM 0 HA TYR A 22 0.766 -6.251 11.898 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.741 -7.767 9.254 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.209 -6.079 9.322 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.256 -5.391 10.652 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.255 -9.514 9.910 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.547 -6.064 11.335 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.549 -10.192 10.573 1.00 0.00 H new ATOM 0 HH TYR A 22 6.494 -9.537 11.411 1.00 0.00 H new ATOM 307 N PRO A 23 -0.749 -4.601 10.554 1.00 0.00 N ATOM 308 CA PRO A 23 -1.695 -3.661 9.970 1.00 0.00 C ATOM 309 C PRO A 23 -1.582 -3.659 8.436 1.00 0.00 C ATOM 310 O PRO A 23 -0.790 -4.408 7.861 1.00 0.00 O ATOM 311 CB PRO A 23 -1.296 -2.313 10.578 1.00 0.00 C ATOM 312 CG PRO A 23 0.224 -2.426 10.680 1.00 0.00 C ATOM 313 CD PRO A 23 0.475 -3.903 10.915 1.00 0.00 C ATOM 0 HA PRO A 23 -2.735 -3.910 10.181 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.598 -1.478 9.945 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.757 -2.157 11.553 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.711 -2.080 9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.614 -1.821 11.499 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.312 -4.254 10.311 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.733 -4.090 11.957 1.00 0.00 H new ATOM 321 N HIS A 24 -2.383 -2.823 7.766 1.00 0.00 N ATOM 322 CA HIS A 24 -2.332 -2.616 6.319 1.00 0.00 C ATOM 323 C HIS A 24 -1.006 -1.930 5.968 1.00 0.00 C ATOM 324 O HIS A 24 -0.885 -0.703 6.065 1.00 0.00 O ATOM 325 CB HIS A 24 -3.550 -1.798 5.850 1.00 0.00 C ATOM 326 CG HIS A 24 -4.861 -2.309 6.376 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.496 -1.836 7.496 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.601 -3.351 5.886 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.568 -2.599 7.715 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.677 -3.538 6.760 1.00 0.00 N ATOM 0 H HIS A 24 -3.099 -2.261 8.226 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.377 -3.572 5.798 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.422 -0.762 6.163 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.580 -1.801 4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.393 -3.921 4.993 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.251 -2.479 8.543 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.404 -4.250 6.687 1.00 0.00 H new ATOM 338 N TRP A 25 0.012 -2.719 5.644 1.00 0.00 N ATOM 339 CA TRP A 25 1.348 -2.258 5.301 1.00 0.00 C ATOM 340 C TRP A 25 1.319 -1.747 3.853 1.00 0.00 C ATOM 341 O TRP A 25 0.625 -2.349 3.027 1.00 0.00 O ATOM 342 CB TRP A 25 2.345 -3.412 5.545 1.00 0.00 C ATOM 343 CG TRP A 25 3.763 -3.036 5.886 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.716 -2.682 4.993 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.420 -2.974 7.199 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.886 -2.367 5.653 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.754 -2.486 7.020 1.00 0.00 C ATOM 348 CE3 TRP A 25 4.019 -3.264 8.529 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.607 -2.210 8.105 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.877 -3.017 9.624 1.00 0.00 C ATOM 351 CH2 TRP A 25 6.154 -2.462 9.413 1.00 0.00 C ATOM 0 H TRP A 25 -0.076 -3.735 5.612 1.00 0.00 H new ATOM 0 HA TRP A 25 1.679 -1.428 5.924 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.955 -4.030 6.354 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.366 -4.035 4.651 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.581 -2.651 3.922 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.746 -2.080 5.185 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.039 -3.682 8.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.596 -1.810 7.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.552 -3.255 10.626 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.787 -2.229 10.257 1.00 0.00 H new ATOM 362 N PRO A 26 1.992 -0.624 3.538 1.00 0.00 N ATOM 363 CA PRO A 26 2.076 -0.123 2.174 1.00 0.00 C ATOM 364 C PRO A 26 2.882 -1.110 1.333 1.00 0.00 C ATOM 365 O PRO A 26 3.902 -1.641 1.784 1.00 0.00 O ATOM 366 CB PRO A 26 2.750 1.245 2.278 1.00 0.00 C ATOM 367 CG PRO A 26 3.604 1.130 3.529 1.00 0.00 C ATOM 368 CD PRO A 26 2.772 0.221 4.431 1.00 0.00 C ATOM 0 HA PRO A 26 1.105 -0.021 1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.356 1.461 1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.017 2.047 2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.581 0.698 3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.780 2.103 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.412 -0.380 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.122 0.806 5.082 1.00 0.00 H new ATOM 376 N ALA A 27 2.405 -1.372 0.122 1.00 0.00 N ATOM 377 CA ALA A 27 2.926 -2.423 -0.727 1.00 0.00 C ATOM 378 C ALA A 27 2.840 -1.971 -2.187 1.00 0.00 C ATOM 379 O ALA A 27 2.032 -1.103 -2.529 1.00 0.00 O ATOM 380 CB ALA A 27 2.086 -3.675 -0.436 1.00 0.00 C ATOM 0 H ALA A 27 1.636 -0.851 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 27 3.975 -2.647 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.439 -4.501 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.182 -3.941 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.040 -3.472 -0.665 1.00 0.00 H new ATOM 386 N ARG A 28 3.661 -2.543 -3.068 1.00 0.00 N ATOM 387 CA ARG A 28 3.665 -2.203 -4.495 1.00 0.00 C ATOM 388 C ARG A 28 3.640 -3.488 -5.303 1.00 0.00 C ATOM 389 O ARG A 28 4.224 -4.484 -4.861 1.00 0.00 O ATOM 390 CB ARG A 28 4.843 -1.251 -4.783 1.00 0.00 C ATOM 391 CG ARG A 28 6.154 -1.838 -5.338 1.00 0.00 C ATOM 392 CD ARG A 28 6.483 -1.304 -6.739 1.00 0.00 C ATOM 393 NE ARG A 28 7.820 -1.751 -7.170 1.00 0.00 N ATOM 394 CZ ARG A 28 8.989 -1.242 -6.763 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.061 -0.089 -6.108 1.00 0.00 N ATOM 396 NH2 ARG A 28 10.101 -1.916 -7.005 1.00 0.00 N ATOM 0 H ARG A 28 4.344 -3.257 -2.814 1.00 0.00 H new ATOM 0 HA ARG A 28 2.775 -1.652 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.494 -0.498 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.081 -0.731 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.973 -1.599 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.076 -2.925 -5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.733 -1.649 -7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.442 -0.215 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 28 7.858 -2.519 -7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.210 0.435 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.967 0.273 -5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.059 -2.810 -7.495 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.000 -1.542 -6.702 1.00 0.00 H new ATOM 410 N ILE A 29 2.914 -3.526 -6.417 1.00 0.00 N ATOM 411 CA ILE A 29 2.851 -4.714 -7.257 1.00 0.00 C ATOM 412 C ILE A 29 4.157 -4.711 -8.054 1.00 0.00 C ATOM 413 O ILE A 29 4.351 -3.866 -8.935 1.00 0.00 O ATOM 414 CB ILE A 29 1.581 -4.750 -8.141 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.261 -4.486 -7.382 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.502 -6.106 -8.869 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.133 -5.542 -6.346 1.00 0.00 C ATOM 0 H ILE A 29 2.359 -2.742 -6.759 1.00 0.00 H new ATOM 0 HA ILE A 29 2.763 -5.626 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 29 1.683 -3.927 -8.849 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.339 -3.522 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.545 -4.401 -8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.608 -6.133 -9.492 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.385 -6.235 -9.495 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.457 -6.911 -8.135 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.073 -5.256 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.252 -6.507 -6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.646 -5.615 -5.587 1.00 0.00 H new ATOM 429 N ASP A 30 5.091 -5.587 -7.686 1.00 0.00 N ATOM 430 CA ASP A 30 6.359 -5.764 -8.392 1.00 0.00 C ATOM 431 C ASP A 30 6.077 -6.356 -9.779 1.00 0.00 C ATOM 432 O ASP A 30 4.955 -6.778 -10.082 1.00 0.00 O ATOM 433 CB ASP A 30 7.269 -6.683 -7.558 1.00 0.00 C ATOM 434 CG ASP A 30 8.764 -6.618 -7.896 1.00 0.00 C ATOM 435 OD1 ASP A 30 9.199 -5.974 -8.877 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.549 -7.178 -7.093 1.00 0.00 O ATOM 0 H ASP A 30 4.987 -6.202 -6.879 1.00 0.00 H new ATOM 0 HA ASP A 30 6.868 -4.810 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.142 -6.432 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.931 -7.711 -7.684 1.00 0.00 H new ATOM 441 N GLU A 31 7.086 -6.415 -10.635 1.00 0.00 N ATOM 442 CA GLU A 31 7.054 -7.265 -11.811 1.00 0.00 C ATOM 443 C GLU A 31 7.634 -8.637 -11.439 1.00 0.00 C ATOM 444 O GLU A 31 8.237 -8.814 -10.375 1.00 0.00 O ATOM 445 CB GLU A 31 7.792 -6.552 -12.954 1.00 0.00 C ATOM 446 CG GLU A 31 7.694 -7.320 -14.278 1.00 0.00 C ATOM 447 CD GLU A 31 7.634 -6.399 -15.491 1.00 0.00 C ATOM 448 OE1 GLU A 31 8.618 -5.677 -15.771 1.00 0.00 O ATOM 449 OE2 GLU A 31 6.591 -6.409 -16.182 1.00 0.00 O ATOM 0 H GLU A 31 7.946 -5.876 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 31 6.039 -7.445 -12.166 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.376 -5.553 -13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.841 -6.428 -12.685 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.554 -7.983 -14.373 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.805 -7.951 -14.262 1.00 0.00 H new ATOM 456 N LEU A 32 7.456 -9.618 -12.323 1.00 0.00 N ATOM 457 CA LEU A 32 8.182 -10.875 -12.310 1.00 0.00 C ATOM 458 C LEU A 32 9.079 -10.814 -13.550 1.00 0.00 C ATOM 459 O LEU A 32 8.543 -10.879 -14.657 1.00 0.00 O ATOM 460 CB LEU A 32 7.238 -12.081 -12.392 1.00 0.00 C ATOM 461 CG LEU A 32 6.216 -12.174 -11.245 1.00 0.00 C ATOM 462 CD1 LEU A 32 4.950 -12.930 -11.658 1.00 0.00 C ATOM 463 CD2 LEU A 32 6.839 -12.828 -10.010 1.00 0.00 C ATOM 0 H LEU A 32 6.783 -9.553 -13.087 1.00 0.00 H new ATOM 0 HA LEU A 32 8.744 -11.002 -11.385 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.699 -12.040 -13.339 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.835 -12.993 -12.404 1.00 0.00 H new ATOM 0 HG LEU A 32 5.926 -11.153 -10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.259 -12.970 -10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.475 -12.415 -12.493 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.214 -13.944 -11.959 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.097 -12.882 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.175 -13.834 -10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.689 -12.235 -9.674 1.00 0.00 H new ATOM 475 N PRO A 33 10.398 -10.638 -13.400 1.00 0.00 N ATOM 476 CA PRO A 33 11.332 -10.744 -14.508 1.00 0.00 C ATOM 477 C PRO A 33 11.361 -12.188 -15.030 1.00 0.00 C ATOM 478 O PRO A 33 10.754 -13.094 -14.445 1.00 0.00 O ATOM 479 CB PRO A 33 12.678 -10.286 -13.938 1.00 0.00 C ATOM 480 CG PRO A 33 12.584 -10.582 -12.442 1.00 0.00 C ATOM 481 CD PRO A 33 11.087 -10.526 -12.131 1.00 0.00 C ATOM 0 HA PRO A 33 11.057 -10.130 -15.366 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.507 -10.825 -14.397 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.846 -9.225 -14.122 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.002 -11.560 -12.204 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.138 -9.848 -11.857 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.800 -11.336 -11.461 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.829 -9.592 -11.631 1.00 0.00 H new ATOM 489 N GLU A 34 12.086 -12.426 -16.122 1.00 0.00 N ATOM 490 CA GLU A 34 12.379 -13.781 -16.575 1.00 0.00 C ATOM 491 C GLU A 34 13.177 -14.537 -15.501 1.00 0.00 C ATOM 492 O GLU A 34 13.789 -13.928 -14.621 1.00 0.00 O ATOM 493 CB GLU A 34 13.144 -13.747 -17.907 1.00 0.00 C ATOM 494 CG GLU A 34 14.548 -13.147 -17.757 1.00 0.00 C ATOM 495 CD GLU A 34 15.405 -13.367 -18.988 1.00 0.00 C ATOM 496 OE1 GLU A 34 15.698 -14.542 -19.316 1.00 0.00 O ATOM 497 OE2 GLU A 34 15.881 -12.349 -19.538 1.00 0.00 O ATOM 0 H GLU A 34 12.482 -11.693 -16.710 1.00 0.00 H new ATOM 0 HA GLU A 34 11.440 -14.309 -16.739 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.224 -14.759 -18.303 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.578 -13.164 -18.634 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.464 -12.078 -17.562 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.039 -13.591 -16.891 1.00 0.00 H new ATOM 504 N GLY A 35 13.224 -15.867 -15.602 1.00 0.00 N ATOM 505 CA GLY A 35 14.052 -16.740 -14.773 1.00 0.00 C ATOM 506 C GLY A 35 13.722 -16.744 -13.276 1.00 0.00 C ATOM 507 O GLY A 35 14.259 -17.581 -12.540 1.00 0.00 O ATOM 0 H GLY A 35 12.668 -16.381 -16.286 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.962 -17.759 -15.149 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.094 -16.446 -14.896 1.00 0.00 H new ATOM 511 N ALA A 36 12.864 -15.835 -12.810 1.00 0.00 N ATOM 512 CA ALA A 36 12.413 -15.706 -11.442 1.00 0.00 C ATOM 513 C ALA A 36 11.500 -16.869 -11.054 1.00 0.00 C ATOM 514 O ALA A 36 11.157 -17.743 -11.861 1.00 0.00 O ATOM 515 CB ALA A 36 11.685 -14.364 -11.296 1.00 0.00 C ATOM 0 H ALA A 36 12.447 -15.133 -13.421 1.00 0.00 H new ATOM 0 HA ALA A 36 13.270 -15.734 -10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.337 -14.249 -10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.368 -13.551 -11.541 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.832 -14.337 -11.974 1.00 0.00 H new ATOM 521 N VAL A 37 11.091 -16.836 -9.794 1.00 0.00 N ATOM 522 CA VAL A 37 10.115 -17.739 -9.216 1.00 0.00 C ATOM 523 C VAL A 37 8.774 -17.539 -9.931 1.00 0.00 C ATOM 524 O VAL A 37 8.447 -16.438 -10.382 1.00 0.00 O ATOM 525 CB VAL A 37 10.063 -17.505 -7.693 1.00 0.00 C ATOM 526 CG1 VAL A 37 9.126 -18.498 -7.000 1.00 0.00 C ATOM 527 CG2 VAL A 37 11.462 -17.680 -7.073 1.00 0.00 C ATOM 0 H VAL A 37 11.445 -16.153 -9.124 1.00 0.00 H new ATOM 0 HA VAL A 37 10.387 -18.785 -9.358 1.00 0.00 H new ATOM 0 HB VAL A 37 9.696 -16.489 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.116 -18.301 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.118 -18.386 -7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.476 -19.515 -7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.407 -17.511 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.821 -18.691 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.150 -16.961 -7.518 1.00 0.00 H new ATOM 537 N LYS A 38 7.998 -18.620 -10.042 1.00 0.00 N ATOM 538 CA LYS A 38 6.720 -18.664 -10.743 1.00 0.00 C ATOM 539 C LYS A 38 5.613 -18.765 -9.693 1.00 0.00 C ATOM 540 O LYS A 38 5.496 -19.831 -9.074 1.00 0.00 O ATOM 541 CB LYS A 38 6.697 -19.854 -11.714 1.00 0.00 C ATOM 542 CG LYS A 38 7.681 -19.707 -12.887 1.00 0.00 C ATOM 543 CD LYS A 38 7.094 -18.871 -14.029 1.00 0.00 C ATOM 544 CE LYS A 38 7.977 -18.952 -15.278 1.00 0.00 C ATOM 545 NZ LYS A 38 7.221 -18.570 -16.485 1.00 0.00 N ATOM 0 H LYS A 38 8.254 -19.518 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 38 6.567 -17.763 -11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.932 -20.766 -11.165 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.688 -19.971 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.600 -19.241 -12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.948 -20.695 -13.262 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.090 -19.225 -14.265 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.999 -17.832 -13.713 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.839 -18.295 -15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.361 -19.966 -15.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.841 -18.633 -17.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.412 -19.213 -16.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.875 -17.594 -16.384 1.00 0.00 H new ATOM 559 N PRO A 39 4.855 -17.690 -9.417 1.00 0.00 N ATOM 560 CA PRO A 39 3.730 -17.734 -8.491 1.00 0.00 C ATOM 561 C PRO A 39 2.575 -18.539 -9.067 1.00 0.00 C ATOM 562 O PRO A 39 2.572 -18.880 -10.251 1.00 0.00 O ATOM 563 CB PRO A 39 3.347 -16.268 -8.264 1.00 0.00 C ATOM 564 CG PRO A 39 3.748 -15.581 -9.561 1.00 0.00 C ATOM 565 CD PRO A 39 4.977 -16.365 -10.012 1.00 0.00 C ATOM 0 HA PRO A 39 3.987 -18.229 -7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.280 -16.159 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.874 -15.845 -7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.950 -15.624 -10.302 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.979 -14.528 -9.403 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.020 -16.429 -11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.894 -15.874 -9.685 1.00 0.00 H new ATOM 573 N PRO A 40 1.560 -18.858 -8.249 1.00 0.00 N ATOM 574 CA PRO A 40 0.346 -19.418 -8.794 1.00 0.00 C ATOM 575 C PRO A 40 -0.394 -18.371 -9.605 1.00 0.00 C ATOM 576 O PRO A 40 -0.224 -17.173 -9.379 1.00 0.00 O ATOM 577 CB PRO A 40 -0.473 -19.884 -7.595 1.00 0.00 C ATOM 578 CG PRO A 40 -0.036 -18.920 -6.499 1.00 0.00 C ATOM 579 CD PRO A 40 1.418 -18.589 -6.825 1.00 0.00 C ATOM 0 HA PRO A 40 0.544 -20.249 -9.471 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.544 -19.821 -7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.256 -20.920 -7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.654 -18.022 -6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.126 -19.376 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.646 -17.548 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.103 -19.202 -6.238 1.00 0.00 H new ATOM 587 N ALA A 41 -1.281 -18.835 -10.482 1.00 0.00 N ATOM 588 CA ALA A 41 -1.982 -17.997 -11.444 1.00 0.00 C ATOM 589 C ALA A 41 -3.038 -17.077 -10.801 1.00 0.00 C ATOM 590 O ALA A 41 -3.937 -16.597 -11.489 1.00 0.00 O ATOM 591 CB ALA A 41 -2.642 -18.895 -12.497 1.00 0.00 C ATOM 0 H ALA A 41 -1.535 -19.821 -10.543 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.243 -17.339 -11.900 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.170 -18.277 -13.223 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.877 -19.480 -13.007 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.349 -19.567 -12.011 1.00 0.00 H new ATOM 597 N ASN A 42 -3.005 -16.934 -9.477 1.00 0.00 N ATOM 598 CA ASN A 42 -4.083 -16.482 -8.610 1.00 0.00 C ATOM 599 C ASN A 42 -3.548 -15.611 -7.463 1.00 0.00 C ATOM 600 O ASN A 42 -4.265 -15.333 -6.497 1.00 0.00 O ATOM 601 CB ASN A 42 -4.810 -17.724 -8.057 1.00 0.00 C ATOM 602 CG ASN A 42 -6.311 -17.501 -8.044 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.882 -17.097 -7.037 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.958 -17.744 -9.169 1.00 0.00 N ATOM 0 H ASN A 42 -2.160 -17.148 -8.947 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.776 -15.865 -9.182 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.571 -18.594 -8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.460 -17.938 -7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.966 -17.596 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.450 -18.079 -9.987 1.00 0.00 H new ATOM 611 N LYS A 43 -2.262 -15.242 -7.500 1.00 0.00 N ATOM 612 CA LYS A 43 -1.599 -14.421 -6.492 1.00 0.00 C ATOM 613 C LYS A 43 -0.652 -13.468 -7.204 1.00 0.00 C ATOM 614 O LYS A 43 -0.304 -13.703 -8.360 1.00 0.00 O ATOM 615 CB LYS A 43 -0.827 -15.284 -5.484 1.00 0.00 C ATOM 616 CG LYS A 43 -1.723 -16.241 -4.680 1.00 0.00 C ATOM 617 CD LYS A 43 -0.923 -16.886 -3.549 1.00 0.00 C ATOM 618 CE LYS A 43 -1.705 -18.016 -2.883 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.998 -18.522 -1.691 1.00 0.00 N ATOM 0 H LYS A 43 -1.638 -15.518 -8.259 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.349 -13.864 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.075 -15.866 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.294 -14.631 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.573 -15.696 -4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.125 -17.012 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.016 -17.275 -3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.669 -16.131 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.695 -17.659 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.852 -18.829 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.552 -19.289 -1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.064 -18.884 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.880 -17.750 -1.004 1.00 0.00 H new ATOM 633 N TYR A 44 -0.203 -12.433 -6.503 1.00 0.00 N ATOM 634 CA TYR A 44 0.590 -11.347 -7.057 1.00 0.00 C ATOM 635 C TYR A 44 1.929 -11.244 -6.323 1.00 0.00 C ATOM 636 O TYR A 44 1.995 -11.606 -5.143 1.00 0.00 O ATOM 637 CB TYR A 44 -0.189 -10.040 -6.894 1.00 0.00 C ATOM 638 CG TYR A 44 -1.565 -10.052 -7.526 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.711 -9.798 -8.901 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.698 -10.331 -6.738 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.989 -9.795 -9.479 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.979 -10.330 -7.316 1.00 0.00 C ATOM 643 CZ TYR A 44 -4.132 -10.040 -8.691 1.00 0.00 C ATOM 644 OH TYR A 44 -5.362 -9.960 -9.267 1.00 0.00 O ATOM 0 H TYR A 44 -0.387 -12.325 -5.506 1.00 0.00 H new ATOM 0 HA TYR A 44 0.786 -11.538 -8.112 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.292 -9.822 -5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.392 -9.228 -7.331 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.841 -9.606 -9.511 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.582 -10.546 -5.686 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.098 -9.603 -10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.846 -10.551 -6.710 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.050 -10.156 -8.597 1.00 0.00 H new ATOM 654 N PRO A 45 2.986 -10.738 -6.974 1.00 0.00 N ATOM 655 CA PRO A 45 4.232 -10.368 -6.322 1.00 0.00 C ATOM 656 C PRO A 45 4.038 -9.052 -5.557 1.00 0.00 C ATOM 657 O PRO A 45 4.243 -7.961 -6.097 1.00 0.00 O ATOM 658 CB PRO A 45 5.241 -10.249 -7.464 1.00 0.00 C ATOM 659 CG PRO A 45 4.383 -9.716 -8.614 1.00 0.00 C ATOM 660 CD PRO A 45 3.056 -10.444 -8.399 1.00 0.00 C ATOM 0 HA PRO A 45 4.575 -11.091 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.055 -9.568 -7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.693 -11.211 -7.707 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.265 -8.634 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.819 -9.945 -9.586 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.216 -9.824 -8.711 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.013 -11.360 -8.989 1.00 0.00 H new ATOM 668 N ILE A 46 3.660 -9.144 -4.290 1.00 0.00 N ATOM 669 CA ILE A 46 3.532 -7.997 -3.398 1.00 0.00 C ATOM 670 C ILE A 46 4.938 -7.701 -2.879 1.00 0.00 C ATOM 671 O ILE A 46 5.582 -8.575 -2.285 1.00 0.00 O ATOM 672 CB ILE A 46 2.500 -8.318 -2.287 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.157 -8.812 -2.864 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.241 -7.261 -1.207 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.507 -7.867 -3.881 1.00 0.00 C ATOM 0 H ILE A 46 3.429 -10.032 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 46 3.150 -7.105 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 46 3.017 -9.115 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.316 -9.780 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.461 -8.971 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.496 -7.634 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.168 -7.050 -0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.874 -6.347 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.431 -8.298 -4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.310 -6.904 -3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.179 -7.726 -4.728 1.00 0.00 H new ATOM 687 N PHE A 47 5.481 -6.522 -3.164 1.00 0.00 N ATOM 688 CA PHE A 47 6.636 -6.038 -2.423 1.00 0.00 C ATOM 689 C PHE A 47 6.073 -5.361 -1.175 1.00 0.00 C ATOM 690 O PHE A 47 4.957 -4.835 -1.226 1.00 0.00 O ATOM 691 CB PHE A 47 7.389 -5.048 -3.321 1.00 0.00 C ATOM 692 CG PHE A 47 8.748 -4.572 -2.836 1.00 0.00 C ATOM 693 CD1 PHE A 47 9.722 -5.497 -2.416 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.096 -3.209 -2.927 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.018 -5.063 -2.091 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.384 -2.768 -2.583 1.00 0.00 C ATOM 697 CZ PHE A 47 11.347 -3.700 -2.168 1.00 0.00 C ATOM 0 H PHE A 47 5.144 -5.893 -3.893 1.00 0.00 H new ATOM 0 HA PHE A 47 7.334 -6.824 -2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.522 -5.511 -4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.756 -4.173 -3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.472 -6.545 -2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.361 -2.494 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.764 -5.780 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.632 -1.718 -2.638 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.342 -3.369 -1.908 1.00 0.00 H new ATOM 707 N PHE A 48 6.815 -5.381 -0.070 1.00 0.00 N ATOM 708 CA PHE A 48 6.477 -4.674 1.159 1.00 0.00 C ATOM 709 C PHE A 48 7.511 -3.569 1.317 1.00 0.00 C ATOM 710 O PHE A 48 8.696 -3.858 1.483 1.00 0.00 O ATOM 711 CB PHE A 48 6.517 -5.625 2.366 1.00 0.00 C ATOM 712 CG PHE A 48 5.404 -6.654 2.440 1.00 0.00 C ATOM 713 CD1 PHE A 48 4.109 -6.239 2.812 1.00 0.00 C ATOM 714 CD2 PHE A 48 5.647 -8.017 2.168 1.00 0.00 C ATOM 715 CE1 PHE A 48 3.074 -7.183 2.943 1.00 0.00 C ATOM 716 CE2 PHE A 48 4.620 -8.958 2.348 1.00 0.00 C ATOM 717 CZ PHE A 48 3.334 -8.545 2.724 1.00 0.00 C ATOM 0 H PHE A 48 7.689 -5.903 -0.005 1.00 0.00 H new ATOM 0 HA PHE A 48 5.467 -4.267 1.110 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.471 -6.151 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.492 -5.026 3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.911 -5.194 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.619 -8.336 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.079 -6.860 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.822 -10.008 2.196 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.545 -9.273 2.845 1.00 0.00 H new ATOM 727 N PHE A 49 7.088 -2.310 1.215 1.00 0.00 N ATOM 728 CA PHE A 49 7.994 -1.181 1.379 1.00 0.00 C ATOM 729 C PHE A 49 8.539 -1.134 2.815 1.00 0.00 C ATOM 730 O PHE A 49 7.968 -1.710 3.752 1.00 0.00 O ATOM 731 CB PHE A 49 7.278 0.122 0.970 1.00 0.00 C ATOM 732 CG PHE A 49 7.312 0.437 -0.517 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.554 0.495 -1.179 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.137 0.750 -1.235 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.636 0.898 -2.520 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.222 1.151 -2.580 1.00 0.00 C ATOM 737 CZ PHE A 49 7.466 1.216 -3.228 1.00 0.00 C ATOM 0 H PHE A 49 6.122 -2.049 1.019 1.00 0.00 H new ATOM 0 HA PHE A 49 8.856 -1.300 0.723 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.238 0.062 1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.730 0.952 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.455 0.226 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.174 0.681 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.598 0.964 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.323 1.411 -3.119 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.523 1.509 -4.266 1.00 0.00 H new ATOM 747 N GLY A 50 9.654 -0.428 2.991 1.00 0.00 N ATOM 748 CA GLY A 50 10.373 -0.229 4.237 1.00 0.00 C ATOM 749 C GLY A 50 11.195 -1.445 4.658 1.00 0.00 C ATOM 750 O GLY A 50 12.360 -1.284 5.027 1.00 0.00 O ATOM 0 H GLY A 50 10.105 0.050 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.035 0.631 4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.660 0.010 5.026 1.00 0.00 H new ATOM 754 N THR A 51 10.616 -2.648 4.624 1.00 0.00 N ATOM 755 CA THR A 51 11.284 -3.897 4.997 1.00 0.00 C ATOM 756 C THR A 51 11.837 -4.644 3.774 1.00 0.00 C ATOM 757 O THR A 51 12.781 -5.432 3.891 1.00 0.00 O ATOM 758 CB THR A 51 10.288 -4.765 5.783 1.00 0.00 C ATOM 759 OG1 THR A 51 9.065 -4.880 5.074 1.00 0.00 O ATOM 760 CG2 THR A 51 9.979 -4.153 7.154 1.00 0.00 C ATOM 0 H THR A 51 9.649 -2.783 4.330 1.00 0.00 H new ATOM 0 HA THR A 51 12.147 -3.667 5.623 1.00 0.00 H new ATOM 0 HB THR A 51 10.749 -5.744 5.913 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.441 -5.437 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.272 -4.790 7.686 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.900 -4.072 7.732 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.545 -3.162 7.021 1.00 0.00 H new ATOM 768 N HIS A 52 11.296 -4.359 2.584 1.00 0.00 N ATOM 769 CA HIS A 52 11.691 -4.920 1.294 1.00 0.00 C ATOM 770 C HIS A 52 11.380 -6.420 1.198 1.00 0.00 C ATOM 771 O HIS A 52 12.005 -7.143 0.418 1.00 0.00 O ATOM 772 CB HIS A 52 13.157 -4.585 0.974 1.00 0.00 C ATOM 773 CG HIS A 52 13.622 -3.238 1.463 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.479 -3.037 2.527 1.00 0.00 N ATOM 775 CD2 HIS A 52 13.209 -2.009 1.016 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.612 -1.715 2.688 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.866 -1.052 1.792 1.00 0.00 N ATOM 0 H HIS A 52 10.528 -3.693 2.494 1.00 0.00 H new ATOM 0 HA HIS A 52 11.085 -4.446 0.522 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.794 -5.354 1.412 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.298 -4.631 -0.106 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.509 -1.818 0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.234 -1.247 3.436 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.792 -0.039 1.696 1.00 0.00 H new ATOM 785 N GLU A 53 10.449 -6.904 2.018 1.00 0.00 N ATOM 786 CA GLU A 53 10.055 -8.302 2.057 1.00 0.00 C ATOM 787 C GLU A 53 9.252 -8.653 0.795 1.00 0.00 C ATOM 788 O GLU A 53 8.719 -7.786 0.089 1.00 0.00 O ATOM 789 CB GLU A 53 9.224 -8.567 3.319 1.00 0.00 C ATOM 790 CG GLU A 53 9.993 -8.350 4.626 1.00 0.00 C ATOM 791 CD GLU A 53 10.905 -9.498 5.056 1.00 0.00 C ATOM 792 OE1 GLU A 53 10.920 -10.576 4.417 1.00 0.00 O ATOM 793 OE2 GLU A 53 11.544 -9.361 6.128 1.00 0.00 O ATOM 0 H GLU A 53 9.941 -6.321 2.684 1.00 0.00 H new ATOM 0 HA GLU A 53 10.945 -8.931 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.351 -7.915 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.856 -9.593 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.597 -7.448 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.273 -8.164 5.423 1.00 0.00 H new ATOM 800 N THR A 54 9.132 -9.951 0.542 1.00 0.00 N ATOM 801 CA THR A 54 8.488 -10.523 -0.638 1.00 0.00 C ATOM 802 C THR A 54 7.731 -11.792 -0.235 1.00 0.00 C ATOM 803 O THR A 54 8.189 -12.544 0.629 1.00 0.00 O ATOM 804 CB THR A 54 9.536 -10.805 -1.740 1.00 0.00 C ATOM 805 OG1 THR A 54 10.715 -11.397 -1.201 1.00 0.00 O ATOM 806 CG2 THR A 54 9.913 -9.531 -2.505 1.00 0.00 C ATOM 0 H THR A 54 9.494 -10.663 1.177 1.00 0.00 H new ATOM 0 HA THR A 54 7.771 -9.812 -1.049 1.00 0.00 H new ATOM 0 HB THR A 54 9.072 -11.506 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.356 -11.564 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.651 -9.771 -3.270 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.024 -9.113 -2.977 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.333 -8.801 -1.812 1.00 0.00 H new ATOM 814 N ALA A 55 6.571 -12.031 -0.832 1.00 0.00 N ATOM 815 CA ALA A 55 5.762 -13.247 -0.772 1.00 0.00 C ATOM 816 C ALA A 55 4.849 -13.241 -2.004 1.00 0.00 C ATOM 817 O ALA A 55 4.859 -12.283 -2.790 1.00 0.00 O ATOM 818 CB ALA A 55 4.918 -13.260 0.514 1.00 0.00 C ATOM 0 H ALA A 55 6.133 -11.322 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 55 6.395 -14.134 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.320 -14.171 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.577 -13.227 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.259 -12.392 0.525 1.00 0.00 H new ATOM 824 N PHE A 56 3.953 -14.221 -2.118 1.00 0.00 N ATOM 825 CA PHE A 56 2.823 -14.196 -3.038 1.00 0.00 C ATOM 826 C PHE A 56 1.515 -14.292 -2.241 1.00 0.00 C ATOM 827 O PHE A 56 1.327 -15.239 -1.468 1.00 0.00 O ATOM 828 CB PHE A 56 2.970 -15.324 -4.062 1.00 0.00 C ATOM 829 CG PHE A 56 4.280 -15.311 -4.833 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.652 -14.175 -5.576 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.148 -16.420 -4.793 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.860 -14.159 -6.293 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.351 -16.407 -5.517 1.00 0.00 C ATOM 834 CZ PHE A 56 6.705 -15.279 -6.276 1.00 0.00 C ATOM 0 H PHE A 56 3.996 -15.073 -1.559 1.00 0.00 H new ATOM 0 HA PHE A 56 2.801 -13.257 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.876 -16.280 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.145 -15.263 -4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.005 -13.310 -5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.887 -17.285 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.139 -13.282 -6.859 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.005 -17.266 -5.490 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.624 -15.274 -6.844 1.00 0.00 H new ATOM 844 N LEU A 57 0.604 -13.332 -2.446 1.00 0.00 N ATOM 845 CA LEU A 57 -0.684 -13.190 -1.759 1.00 0.00 C ATOM 846 C LEU A 57 -1.782 -12.992 -2.807 1.00 0.00 C ATOM 847 O LEU A 57 -1.528 -12.452 -3.887 1.00 0.00 O ATOM 848 CB LEU A 57 -0.652 -11.976 -0.804 1.00 0.00 C ATOM 849 CG LEU A 57 0.257 -12.157 0.432 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.746 -10.800 0.953 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.478 -12.875 1.569 1.00 0.00 C ATOM 0 H LEU A 57 0.755 -12.594 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.883 -14.087 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.317 -11.101 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.667 -11.769 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 57 1.106 -12.762 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.384 -10.953 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.313 -10.293 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.111 -10.188 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.191 -12.985 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.350 -12.291 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.799 -13.860 1.230 1.00 0.00 H new ATOM 863 N GLY A 58 -3.006 -13.424 -2.498 1.00 0.00 N ATOM 864 CA GLY A 58 -4.152 -13.347 -3.389 1.00 0.00 C ATOM 865 C GLY A 58 -4.959 -12.064 -3.164 1.00 0.00 C ATOM 866 O GLY A 58 -4.831 -11.413 -2.125 1.00 0.00 O ATOM 0 H GLY A 58 -3.227 -13.847 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.812 -13.386 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.794 -14.213 -3.232 1.00 0.00 H new ATOM 870 N PRO A 59 -5.857 -11.718 -4.100 1.00 0.00 N ATOM 871 CA PRO A 59 -6.597 -10.459 -4.094 1.00 0.00 C ATOM 872 C PRO A 59 -7.581 -10.339 -2.930 1.00 0.00 C ATOM 873 O PRO A 59 -7.908 -9.223 -2.526 1.00 0.00 O ATOM 874 CB PRO A 59 -7.329 -10.388 -5.434 1.00 0.00 C ATOM 875 CG PRO A 59 -7.384 -11.837 -5.925 1.00 0.00 C ATOM 876 CD PRO A 59 -6.211 -12.538 -5.241 1.00 0.00 C ATOM 0 HA PRO A 59 -5.904 -9.629 -3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.329 -9.971 -5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.799 -9.750 -6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.331 -12.306 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.295 -11.889 -7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.489 -13.544 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.367 -12.640 -5.923 1.00 0.00 H new ATOM 884 N LYS A 60 -8.012 -11.462 -2.343 1.00 0.00 N ATOM 885 CA LYS A 60 -8.834 -11.447 -1.138 1.00 0.00 C ATOM 886 C LYS A 60 -8.117 -10.779 0.043 1.00 0.00 C ATOM 887 O LYS A 60 -8.788 -10.458 1.022 1.00 0.00 O ATOM 888 CB LYS A 60 -9.349 -12.868 -0.810 1.00 0.00 C ATOM 889 CG LYS A 60 -10.862 -13.022 -1.066 1.00 0.00 C ATOM 890 CD LYS A 60 -11.692 -12.273 -0.009 1.00 0.00 C ATOM 891 CE LYS A 60 -13.186 -12.130 -0.335 1.00 0.00 C ATOM 892 NZ LYS A 60 -13.978 -13.367 -0.162 1.00 0.00 N ATOM 0 H LYS A 60 -7.800 -12.397 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.709 -10.828 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.806 -13.596 -1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.135 -13.096 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.105 -12.641 -2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.128 -14.079 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.592 -12.793 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.268 -11.278 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.610 -11.352 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.288 -11.791 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.972 -13.179 -0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.604 -14.109 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.916 -13.684 0.827 1.00 0.00 H new ATOM 906 N ASP A 61 -6.801 -10.536 -0.021 1.00 0.00 N ATOM 907 CA ASP A 61 -6.051 -9.883 1.055 1.00 0.00 C ATOM 908 C ASP A 61 -5.694 -8.428 0.760 1.00 0.00 C ATOM 909 O ASP A 61 -5.121 -7.772 1.634 1.00 0.00 O ATOM 910 CB ASP A 61 -4.756 -10.664 1.357 1.00 0.00 C ATOM 911 CG ASP A 61 -4.979 -11.839 2.294 1.00 0.00 C ATOM 912 OD1 ASP A 61 -5.793 -11.732 3.244 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.351 -12.896 2.072 1.00 0.00 O ATOM 0 H ASP A 61 -6.226 -10.789 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.715 -9.884 1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.330 -11.027 0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.024 -9.987 1.799 1.00 0.00 H new ATOM 918 N LEU A 62 -5.976 -7.911 -0.436 1.00 0.00 N ATOM 919 CA LEU A 62 -5.290 -6.750 -0.996 1.00 0.00 C ATOM 920 C LEU A 62 -6.296 -5.660 -1.316 1.00 0.00 C ATOM 921 O LEU A 62 -7.420 -5.974 -1.712 1.00 0.00 O ATOM 922 CB LEU A 62 -4.531 -7.182 -2.260 1.00 0.00 C ATOM 923 CG LEU A 62 -3.427 -8.224 -1.998 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.883 -8.736 -3.331 1.00 0.00 C ATOM 925 CD2 LEU A 62 -2.280 -7.660 -1.155 1.00 0.00 C ATOM 0 H LEU A 62 -6.696 -8.292 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.579 -6.352 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.242 -7.593 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.084 -6.302 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.874 -9.041 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.102 -9.473 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.690 -9.197 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.469 -7.903 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.528 -8.434 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.828 -6.815 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.666 -7.329 -0.191 1.00 0.00 H new ATOM 937 N PHE A 63 -5.895 -4.394 -1.181 1.00 0.00 N ATOM 938 CA PHE A 63 -6.788 -3.248 -1.351 1.00 0.00 C ATOM 939 C PHE A 63 -6.106 -2.192 -2.218 1.00 0.00 C ATOM 940 O PHE A 63 -4.898 -1.988 -2.057 1.00 0.00 O ATOM 941 CB PHE A 63 -7.170 -2.663 0.017 1.00 0.00 C ATOM 942 CG PHE A 63 -7.916 -3.657 0.881 1.00 0.00 C ATOM 943 CD1 PHE A 63 -7.196 -4.566 1.675 1.00 0.00 C ATOM 944 CD2 PHE A 63 -9.316 -3.741 0.818 1.00 0.00 C ATOM 945 CE1 PHE A 63 -7.856 -5.596 2.369 1.00 0.00 C ATOM 946 CE2 PHE A 63 -9.980 -4.753 1.529 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.256 -5.700 2.275 1.00 0.00 C ATOM 0 H PHE A 63 -4.936 -4.135 -0.949 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.702 -3.575 -1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.268 -2.340 0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.788 -1.777 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.123 -4.472 1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.878 -3.033 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.295 -6.299 2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -11.058 -4.805 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.774 -6.505 2.775 1.00 0.00 H new ATOM 957 N PRO A 64 -6.852 -1.487 -3.091 1.00 0.00 N ATOM 958 CA PRO A 64 -6.291 -0.456 -3.946 1.00 0.00 C ATOM 959 C PRO A 64 -5.787 0.684 -3.069 1.00 0.00 C ATOM 960 O PRO A 64 -6.589 1.340 -2.399 1.00 0.00 O ATOM 961 CB PRO A 64 -7.409 -0.017 -4.898 1.00 0.00 C ATOM 962 CG PRO A 64 -8.711 -0.490 -4.252 1.00 0.00 C ATOM 963 CD PRO A 64 -8.305 -1.539 -3.221 1.00 0.00 C ATOM 0 HA PRO A 64 -5.442 -0.807 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.408 1.065 -5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.279 -0.459 -5.886 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.237 0.340 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.386 -0.913 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.783 -1.339 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.626 -2.531 -3.537 1.00 0.00 H new ATOM 971 N TYR A 65 -4.469 0.910 -3.068 1.00 0.00 N ATOM 972 CA TYR A 65 -3.824 1.955 -2.285 1.00 0.00 C ATOM 973 C TYR A 65 -4.578 3.250 -2.457 1.00 0.00 C ATOM 974 O TYR A 65 -5.009 3.838 -1.476 1.00 0.00 O ATOM 975 CB TYR A 65 -2.375 2.165 -2.721 1.00 0.00 C ATOM 976 CG TYR A 65 -1.664 3.352 -2.101 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.062 3.224 -0.836 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.571 4.573 -2.802 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.392 4.315 -0.255 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.864 5.651 -2.242 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.283 5.532 -0.960 1.00 0.00 C ATOM 982 OH TYR A 65 0.388 6.575 -0.401 1.00 0.00 O ATOM 0 H TYR A 65 -3.814 0.359 -3.623 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.830 1.644 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.810 1.263 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.355 2.279 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.115 2.283 -0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.043 4.679 -3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.039 4.221 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.765 6.574 -2.794 1.00 0.00 H new ATOM 0 HH TYR A 65 0.373 7.340 -1.014 1.00 0.00 H new ATOM 992 N LYS A 66 -4.769 3.668 -3.708 1.00 0.00 N ATOM 993 CA LYS A 66 -5.263 4.992 -4.029 1.00 0.00 C ATOM 994 C LYS A 66 -6.650 5.255 -3.434 1.00 0.00 C ATOM 995 O LYS A 66 -6.990 6.410 -3.191 1.00 0.00 O ATOM 996 CB LYS A 66 -5.248 5.155 -5.555 1.00 0.00 C ATOM 997 CG LYS A 66 -4.964 6.605 -5.974 1.00 0.00 C ATOM 998 CD LYS A 66 -5.899 7.004 -7.116 1.00 0.00 C ATOM 999 CE LYS A 66 -5.518 8.352 -7.725 1.00 0.00 C ATOM 1000 NZ LYS A 66 -6.422 8.709 -8.836 1.00 0.00 N ATOM 0 H LYS A 66 -4.582 3.089 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.611 5.739 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.490 4.499 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.209 4.841 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.106 7.273 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.925 6.706 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.874 6.237 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.923 7.050 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.557 9.125 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.490 8.314 -8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.140 9.629 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.365 7.982 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.399 8.768 -8.484 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.451 4.217 -3.175 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.732 4.372 -2.499 1.00 0.00 C ATOM 1016 C GLU A 67 -8.468 4.625 -1.006 1.00 0.00 C ATOM 1017 O GLU A 67 -8.863 5.658 -0.462 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.609 3.127 -2.740 1.00 0.00 C ATOM 1019 CG GLU A 67 -11.095 3.446 -2.927 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.687 4.332 -1.830 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -12.040 3.839 -0.734 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -11.915 5.533 -2.093 1.00 0.00 O ATOM 0 H GLU A 67 -7.227 3.254 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.281 5.225 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.245 2.603 -3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.496 2.446 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.231 3.939 -3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.654 2.511 -2.965 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.756 3.712 -0.342 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.487 3.674 1.100 1.00 0.00 C ATOM 1031 C TYR A 68 -6.305 4.557 1.496 1.00 0.00 C ATOM 1032 O TYR A 68 -5.738 4.401 2.576 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.293 2.218 1.507 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.581 1.447 1.341 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.912 0.860 0.111 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.524 1.481 2.374 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -10.190 0.306 -0.102 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.812 0.966 2.169 1.00 0.00 C ATOM 1039 CZ TYR A 68 -11.160 0.384 0.928 1.00 0.00 C ATOM 1040 OH TYR A 68 -12.430 -0.076 0.734 1.00 0.00 O ATOM 0 H TYR A 68 -7.323 2.927 -0.828 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.337 4.090 1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.510 1.765 0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.961 2.165 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.179 0.832 -0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.259 1.905 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.428 -0.173 -1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.542 1.014 2.963 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.955 0.059 1.550 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.910 5.477 0.626 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.657 6.199 0.684 1.00 0.00 C ATOM 1052 C LYS A 69 -4.662 7.098 1.906 1.00 0.00 C ATOM 1053 O LYS A 69 -3.621 7.267 2.531 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.501 6.905 -0.671 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.421 7.970 -0.717 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.163 8.392 -2.176 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.061 9.454 -2.282 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.601 10.824 -2.200 1.00 0.00 N ATOM 0 H LYS A 69 -6.483 5.748 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.780 5.566 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.284 6.155 -1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.454 7.363 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.725 8.835 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.502 7.588 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.881 7.517 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.084 8.782 -2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.334 9.303 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.529 9.330 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.822 11.509 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.275 10.979 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.087 10.952 -1.289 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.824 7.599 2.319 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.985 8.142 3.657 1.00 0.00 C ATOM 1074 C ASP A 70 -6.278 7.038 4.671 1.00 0.00 C ATOM 1075 O ASP A 70 -5.560 6.923 5.661 1.00 0.00 O ATOM 1076 CB ASP A 70 -7.090 9.189 3.711 1.00 0.00 C ATOM 1077 CG ASP A 70 -7.118 9.744 5.137 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -6.094 10.316 5.598 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -8.028 9.388 5.916 1.00 0.00 O ATOM 0 H ASP A 70 -6.665 7.638 1.743 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.041 8.621 3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.901 9.986 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.052 8.747 3.451 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.340 6.240 4.479 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.914 5.426 5.559 1.00 0.00 C ATOM 1086 C LYS A 71 -6.861 4.477 6.146 1.00 0.00 C ATOM 1087 O LYS A 71 -6.776 4.328 7.368 1.00 0.00 O ATOM 1088 CB LYS A 71 -9.155 4.691 5.018 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.985 3.995 6.107 1.00 0.00 C ATOM 1090 CD LYS A 71 -11.096 3.106 5.520 1.00 0.00 C ATOM 1091 CE LYS A 71 -12.532 3.618 5.701 1.00 0.00 C ATOM 1092 NZ LYS A 71 -12.895 4.774 4.847 1.00 0.00 N ATOM 0 H LYS A 71 -7.819 6.142 3.584 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.233 6.062 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.788 5.405 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.836 3.948 4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.327 3.387 6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.431 4.748 6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.908 2.980 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.023 2.119 5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.222 2.801 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.674 3.898 6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.880 5.050 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.264 5.573 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.796 4.511 3.846 1.00 0.00 H new ATOM 1106 N PHE A 72 -6.047 3.861 5.288 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.988 2.920 5.635 1.00 0.00 C ATOM 1108 C PHE A 72 -3.587 3.558 5.572 1.00 0.00 C ATOM 1109 O PHE A 72 -2.633 2.967 6.091 1.00 0.00 O ATOM 1110 CB PHE A 72 -5.051 1.716 4.683 1.00 0.00 C ATOM 1111 CG PHE A 72 -6.286 0.825 4.735 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -7.297 0.979 5.706 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.414 -0.198 3.776 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -8.392 0.102 5.738 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.502 -1.087 3.814 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.493 -0.937 4.799 1.00 0.00 C ATOM 0 H PHE A 72 -6.114 4.015 4.282 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.151 2.604 6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.953 2.091 3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.180 1.091 4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.228 1.777 6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.668 -0.301 3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.160 0.227 6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.576 -1.883 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.330 -1.619 4.834 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.420 4.731 4.952 1.00 0.00 N ATOM 1127 CA GLY A 73 -2.128 5.392 4.785 1.00 0.00 C ATOM 1128 C GLY A 73 -1.824 6.268 5.992 1.00 0.00 C ATOM 1129 O GLY A 73 -1.949 7.491 5.918 1.00 0.00 O ATOM 0 H GLY A 73 -4.195 5.255 4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.343 4.646 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.136 5.999 3.879 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.446 5.666 7.120 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.391 6.343 8.418 1.00 0.00 C ATOM 1135 C LYS A 74 -0.080 6.018 9.094 1.00 0.00 C ATOM 1136 O LYS A 74 0.262 4.845 9.161 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.544 5.844 9.303 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.885 6.481 8.927 1.00 0.00 C ATOM 1139 CD LYS A 74 -3.933 7.957 9.351 1.00 0.00 C ATOM 1140 CE LYS A 74 -4.295 8.892 8.200 1.00 0.00 C ATOM 1141 NZ LYS A 74 -5.672 8.706 7.736 1.00 0.00 N ATOM 0 H LYS A 74 -1.167 4.686 7.160 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.477 7.420 8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.622 4.760 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.320 6.065 10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.039 6.403 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.698 5.935 9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.662 8.076 10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.963 8.246 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.159 9.925 8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.610 8.723 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.974 9.545 7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.721 7.867 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.299 8.573 8.555 1.00 0.00 H new ATOM 1155 N SER A 75 0.614 7.022 9.621 1.00 0.00 N ATOM 1156 CA SER A 75 1.885 6.930 10.322 1.00 0.00 C ATOM 1157 C SER A 75 1.803 6.079 11.596 1.00 0.00 C ATOM 1158 O SER A 75 1.709 6.572 12.726 1.00 0.00 O ATOM 1159 CB SER A 75 2.381 8.344 10.591 1.00 0.00 C ATOM 1160 OG SER A 75 1.326 9.221 10.971 1.00 0.00 O ATOM 0 H SER A 75 0.279 7.984 9.565 1.00 0.00 H new ATOM 0 HA SER A 75 2.605 6.406 9.693 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.133 8.320 11.380 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.870 8.732 9.697 1.00 0.00 H new ATOM 0 HG SER A 75 1.688 10.117 11.136 1.00 0.00 H new ATOM 1166 N ASN A 76 1.843 4.772 11.382 1.00 0.00 N ATOM 1167 CA ASN A 76 1.541 3.730 12.361 1.00 0.00 C ATOM 1168 C ASN A 76 2.826 3.237 13.018 1.00 0.00 C ATOM 1169 O ASN A 76 3.879 3.220 12.383 1.00 0.00 O ATOM 1170 CB ASN A 76 0.798 2.580 11.682 1.00 0.00 C ATOM 1171 CG ASN A 76 0.242 1.622 12.716 1.00 0.00 C ATOM 1172 OD1 ASN A 76 -0.732 1.929 13.397 1.00 0.00 O ATOM 1173 ND2 ASN A 76 0.825 0.452 12.865 1.00 0.00 N ATOM 0 H ASN A 76 2.100 4.386 10.474 1.00 0.00 H new ATOM 0 HA ASN A 76 0.900 4.143 13.140 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.013 2.975 11.070 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.473 2.049 11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.468 -0.212 13.552 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.634 0.209 12.293 1.00 0.00 H new ATOM 1180 N LYS A 77 2.768 2.846 14.292 1.00 0.00 N ATOM 1181 CA LYS A 77 3.914 2.986 15.188 1.00 0.00 C ATOM 1182 C LYS A 77 4.826 1.751 15.237 1.00 0.00 C ATOM 1183 O LYS A 77 5.269 1.345 16.321 1.00 0.00 O ATOM 1184 CB LYS A 77 3.397 3.441 16.567 1.00 0.00 C ATOM 1185 CG LYS A 77 4.362 4.473 17.152 1.00 0.00 C ATOM 1186 CD LYS A 77 4.260 4.640 18.667 1.00 0.00 C ATOM 1187 CE LYS A 77 4.982 5.891 19.187 1.00 0.00 C ATOM 1188 NZ LYS A 77 6.235 6.239 18.473 1.00 0.00 N ATOM 0 H LYS A 77 1.942 2.432 14.724 1.00 0.00 H new ATOM 0 HA LYS A 77 4.580 3.752 14.791 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.400 3.871 16.471 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.311 2.585 17.237 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.382 4.185 16.898 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.176 5.437 16.678 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.209 4.691 18.951 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.679 3.758 19.152 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.299 6.738 19.123 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.212 5.746 20.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.718 7.010 18.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.857 5.406 18.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.009 6.545 17.505 1.00 0.00 H new ATOM 1202 N ARG A 78 5.105 1.134 14.086 1.00 0.00 N ATOM 1203 CA ARG A 78 6.064 0.033 13.947 1.00 0.00 C ATOM 1204 C ARG A 78 7.323 0.587 13.285 1.00 0.00 C ATOM 1205 O ARG A 78 7.218 1.444 12.406 1.00 0.00 O ATOM 1206 CB ARG A 78 5.468 -1.075 13.063 1.00 0.00 C ATOM 1207 CG ARG A 78 4.303 -1.838 13.713 1.00 0.00 C ATOM 1208 CD ARG A 78 4.826 -2.925 14.648 1.00 0.00 C ATOM 1209 NE ARG A 78 3.735 -3.599 15.370 1.00 0.00 N ATOM 1210 CZ ARG A 78 3.394 -4.894 15.309 1.00 0.00 C ATOM 1211 NH1 ARG A 78 4.058 -5.761 14.550 1.00 0.00 N ATOM 1212 NH2 ARG A 78 2.359 -5.310 16.024 1.00 0.00 N ATOM 0 H ARG A 78 4.661 1.391 13.204 1.00 0.00 H new ATOM 0 HA ARG A 78 6.296 -0.388 14.925 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.122 -0.633 12.129 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.255 -1.784 12.808 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.673 -1.144 14.270 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.678 -2.286 12.940 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.388 -3.660 14.072 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.518 -2.485 15.365 1.00 0.00 H new ATOM 0 HE ARG A 78 3.174 -3.013 15.988 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.852 -5.447 13.992 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.773 -6.740 14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.841 -4.650 16.604 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.080 -6.291 15.994 1.00 0.00 H new ATOM 1226 N LYS A 79 8.501 0.056 13.628 1.00 0.00 N ATOM 1227 CA LYS A 79 9.730 0.430 12.929 1.00 0.00 C ATOM 1228 C LYS A 79 9.659 -0.064 11.480 1.00 0.00 C ATOM 1229 O LYS A 79 8.901 -0.994 11.181 1.00 0.00 O ATOM 1230 CB LYS A 79 10.941 -0.122 13.697 1.00 0.00 C ATOM 1231 CG LYS A 79 12.222 0.652 13.372 1.00 0.00 C ATOM 1232 CD LYS A 79 13.330 0.403 14.396 1.00 0.00 C ATOM 1233 CE LYS A 79 13.735 -1.075 14.496 1.00 0.00 C ATOM 1234 NZ LYS A 79 14.901 -1.241 15.390 1.00 0.00 N ATOM 0 H LYS A 79 8.627 -0.626 14.376 1.00 0.00 H new ATOM 0 HA LYS A 79 9.844 1.513 12.892 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.747 -0.070 14.768 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.080 -1.174 13.449 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.575 0.365 12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.999 1.718 13.334 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.204 0.996 14.128 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.997 0.750 15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.897 -1.662 14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.974 -1.459 13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.157 -2.248 15.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.705 -0.698 15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.662 -0.894 16.341 1.00 0.00 H new ATOM 1248 N GLY A 80 10.398 0.576 10.573 1.00 0.00 N ATOM 1249 CA GLY A 80 10.317 0.368 9.128 1.00 0.00 C ATOM 1250 C GLY A 80 9.097 1.052 8.514 1.00 0.00 C ATOM 1251 O GLY A 80 9.133 1.452 7.354 1.00 0.00 O ATOM 0 H GLY A 80 11.092 1.276 10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.222 0.751 8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.276 -0.701 8.918 1.00 0.00 H new ATOM 1255 N PHE A 81 8.009 1.230 9.268 1.00 0.00 N ATOM 1256 CA PHE A 81 6.727 1.556 8.673 1.00 0.00 C ATOM 1257 C PHE A 81 6.703 2.939 8.036 1.00 0.00 C ATOM 1258 O PHE A 81 6.242 3.113 6.910 1.00 0.00 O ATOM 1259 CB PHE A 81 5.636 1.494 9.725 1.00 0.00 C ATOM 1260 CG PHE A 81 4.275 1.399 9.084 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.887 0.158 8.569 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.413 2.498 8.959 1.00 0.00 C ATOM 1263 CE1 PHE A 81 2.597 -0.053 8.076 1.00 0.00 C ATOM 1264 CE2 PHE A 81 2.150 2.305 8.369 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.720 1.030 7.974 1.00 0.00 C ATOM 0 H PHE A 81 7.998 1.153 10.285 1.00 0.00 H new ATOM 0 HA PHE A 81 6.556 0.820 7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.798 0.632 10.373 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.684 2.381 10.357 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.599 -0.654 8.552 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.713 3.475 9.309 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.281 -1.042 7.777 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.500 3.154 8.218 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.719 0.886 7.594 1.00 0.00 H new ATOM 1275 N ASN A 82 7.157 3.934 8.792 1.00 0.00 N ATOM 1276 CA ASN A 82 7.161 5.330 8.372 1.00 0.00 C ATOM 1277 C ASN A 82 8.134 5.544 7.209 1.00 0.00 C ATOM 1278 O ASN A 82 8.002 6.499 6.451 1.00 0.00 O ATOM 1279 CB ASN A 82 7.584 6.194 9.560 1.00 0.00 C ATOM 1280 CG ASN A 82 6.591 6.168 10.707 1.00 0.00 C ATOM 1281 OD1 ASN A 82 6.814 5.479 11.695 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.506 6.915 10.661 1.00 0.00 N ATOM 0 H ASN A 82 7.538 3.790 9.727 1.00 0.00 H new ATOM 0 HA ASN A 82 6.162 5.608 8.036 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.554 5.853 9.921 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.713 7.223 9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.855 6.918 11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.317 7.490 9.840 1.00 0.00 H new ATOM 1289 N GLU A 83 9.117 4.658 7.062 1.00 0.00 N ATOM 1290 CA GLU A 83 10.082 4.683 5.975 1.00 0.00 C ATOM 1291 C GLU A 83 9.395 4.175 4.709 1.00 0.00 C ATOM 1292 O GLU A 83 9.423 4.865 3.692 1.00 0.00 O ATOM 1293 CB GLU A 83 11.331 3.878 6.378 1.00 0.00 C ATOM 1294 CG GLU A 83 11.920 4.500 7.653 1.00 0.00 C ATOM 1295 CD GLU A 83 13.349 4.064 7.950 1.00 0.00 C ATOM 1296 OE1 GLU A 83 14.288 4.730 7.449 1.00 0.00 O ATOM 1297 OE2 GLU A 83 13.516 3.147 8.786 1.00 0.00 O ATOM 0 H GLU A 83 9.264 3.887 7.713 1.00 0.00 H new ATOM 0 HA GLU A 83 10.432 5.694 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.069 2.834 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.067 3.893 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.894 5.586 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.287 4.236 8.500 1.00 0.00 H new ATOM 1304 N GLY A 84 8.679 3.049 4.803 1.00 0.00 N ATOM 1305 CA GLY A 84 7.909 2.528 3.685 1.00 0.00 C ATOM 1306 C GLY A 84 6.729 3.423 3.290 1.00 0.00 C ATOM 1307 O GLY A 84 6.314 3.422 2.131 1.00 0.00 O ATOM 0 H GLY A 84 8.622 2.484 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.567 2.407 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.534 1.537 3.942 1.00 0.00 H new ATOM 1311 N LEU A 85 6.178 4.210 4.225 1.00 0.00 N ATOM 1312 CA LEU A 85 5.154 5.208 3.902 1.00 0.00 C ATOM 1313 C LEU A 85 5.749 6.403 3.150 1.00 0.00 C ATOM 1314 O LEU A 85 5.046 7.041 2.366 1.00 0.00 O ATOM 1315 CB LEU A 85 4.427 5.728 5.156 1.00 0.00 C ATOM 1316 CG LEU A 85 3.202 4.902 5.594 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.621 5.566 6.844 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.088 4.812 4.536 1.00 0.00 C ATOM 0 H LEU A 85 6.427 4.173 5.213 1.00 0.00 H new ATOM 0 HA LEU A 85 4.433 4.696 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.138 5.760 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.107 6.753 4.972 1.00 0.00 H new ATOM 0 HG LEU A 85 3.547 3.883 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.750 5.005 7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.373 5.578 7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.326 6.589 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.264 4.214 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.729 5.814 4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.481 4.345 3.633 1.00 0.00 H new ATOM 1330 N TRP A 86 7.016 6.744 3.379 1.00 0.00 N ATOM 1331 CA TRP A 86 7.713 7.739 2.578 1.00 0.00 C ATOM 1332 C TRP A 86 7.978 7.167 1.188 1.00 0.00 C ATOM 1333 O TRP A 86 7.754 7.875 0.206 1.00 0.00 O ATOM 1334 CB TRP A 86 8.982 8.183 3.313 1.00 0.00 C ATOM 1335 CG TRP A 86 9.763 9.278 2.662 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.724 10.596 2.964 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.706 9.151 1.565 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.587 11.283 2.129 1.00 0.00 N ATOM 1339 CE2 TRP A 86 11.207 10.439 1.230 1.00 0.00 C ATOM 1340 CE3 TRP A 86 11.146 8.058 0.798 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 12.100 10.632 0.166 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 12.041 8.235 -0.275 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.520 9.522 -0.589 1.00 0.00 C ATOM 0 H TRP A 86 7.583 6.338 4.123 1.00 0.00 H new ATOM 0 HA TRP A 86 7.105 8.633 2.439 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.703 8.508 4.315 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.634 7.317 3.428 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.115 11.042 3.736 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.746 12.290 2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.792 7.066 1.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.461 11.622 -0.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.360 7.383 -0.857 1.00 0.00 H new ATOM 0 HH2 TRP A 86 13.210 9.656 -1.409 1.00 0.00 H new ATOM 1354 N GLU A 87 8.401 5.899 1.094 1.00 0.00 N ATOM 1355 CA GLU A 87 8.631 5.226 -0.182 1.00 0.00 C ATOM 1356 C GLU A 87 7.367 5.251 -1.031 1.00 0.00 C ATOM 1357 O GLU A 87 7.420 5.724 -2.164 1.00 0.00 O ATOM 1358 CB GLU A 87 9.089 3.775 0.011 1.00 0.00 C ATOM 1359 CG GLU A 87 10.609 3.641 0.140 1.00 0.00 C ATOM 1360 CD GLU A 87 11.031 2.187 0.356 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.527 1.546 1.301 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.844 1.690 -0.454 1.00 0.00 O ATOM 0 H GLU A 87 8.593 5.313 1.907 1.00 0.00 H new ATOM 0 HA GLU A 87 9.427 5.768 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.616 3.366 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.747 3.176 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.086 4.029 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.959 4.249 0.974 1.00 0.00 H new ATOM 1369 N ILE A 88 6.234 4.761 -0.520 1.00 0.00 N ATOM 1370 CA ILE A 88 5.028 4.622 -1.333 1.00 0.00 C ATOM 1371 C ILE A 88 4.525 5.988 -1.824 1.00 0.00 C ATOM 1372 O ILE A 88 4.046 6.096 -2.951 1.00 0.00 O ATOM 1373 CB ILE A 88 3.970 3.784 -0.581 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.884 3.289 -1.552 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.342 4.549 0.591 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.152 2.034 -1.066 1.00 0.00 C ATOM 0 H ILE A 88 6.129 4.456 0.448 1.00 0.00 H new ATOM 0 HA ILE A 88 5.263 4.067 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 88 4.486 2.922 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.157 4.086 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.341 3.081 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.606 3.916 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.119 4.826 1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.854 5.450 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.401 1.743 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.868 1.222 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.665 2.243 -0.113 1.00 0.00 H new ATOM 1388 N GLU A 89 4.682 7.050 -1.027 1.00 0.00 N ATOM 1389 CA GLU A 89 4.315 8.395 -1.457 1.00 0.00 C ATOM 1390 C GLU A 89 5.284 8.934 -2.515 1.00 0.00 C ATOM 1391 O GLU A 89 4.871 9.708 -3.383 1.00 0.00 O ATOM 1392 CB GLU A 89 4.215 9.336 -0.246 1.00 0.00 C ATOM 1393 CG GLU A 89 2.848 9.125 0.428 1.00 0.00 C ATOM 1394 CD GLU A 89 2.528 10.109 1.560 1.00 0.00 C ATOM 1395 OE1 GLU A 89 3.269 11.088 1.821 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.484 9.885 2.216 1.00 0.00 O ATOM 0 H GLU A 89 5.061 7.000 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 89 3.333 8.345 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.020 9.131 0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.325 10.373 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.069 9.201 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.808 8.111 0.825 1.00 0.00 H new ATOM 1403 N ASN A 90 6.549 8.510 -2.476 1.00 0.00 N ATOM 1404 CA ASN A 90 7.578 8.847 -3.457 1.00 0.00 C ATOM 1405 C ASN A 90 7.543 7.939 -4.689 1.00 0.00 C ATOM 1406 O ASN A 90 8.260 8.211 -5.657 1.00 0.00 O ATOM 1407 CB ASN A 90 8.965 8.838 -2.791 1.00 0.00 C ATOM 1408 CG ASN A 90 9.205 10.175 -2.112 1.00 0.00 C ATOM 1409 OD1 ASN A 90 9.641 11.119 -2.763 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.801 10.335 -0.864 1.00 0.00 N ATOM 0 H ASN A 90 6.895 7.902 -1.734 1.00 0.00 H new ATOM 0 HA ASN A 90 7.367 9.853 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.025 8.031 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.738 8.652 -3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.849 11.255 -0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.441 9.538 -0.338 1.00 0.00 H new ATOM 1417 N SER A 91 6.733 6.881 -4.678 1.00 0.00 N ATOM 1418 CA SER A 91 6.616 5.896 -5.743 1.00 0.00 C ATOM 1419 C SER A 91 5.685 6.425 -6.830 1.00 0.00 C ATOM 1420 O SER A 91 4.513 6.054 -6.915 1.00 0.00 O ATOM 1421 CB SER A 91 6.133 4.570 -5.157 1.00 0.00 C ATOM 1422 OG SER A 91 7.097 4.085 -4.248 1.00 0.00 O ATOM 0 H SER A 91 6.115 6.682 -3.891 1.00 0.00 H new ATOM 0 HA SER A 91 7.587 5.717 -6.205 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.177 4.709 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.970 3.845 -5.954 1.00 0.00 H new ATOM 0 HG SER A 91 7.075 4.623 -3.429 1.00 0.00 H new ATOM 1428 N GLY A 92 6.212 7.327 -7.650 1.00 0.00 N ATOM 1429 CA GLY A 92 5.520 8.011 -8.722 1.00 0.00 C ATOM 1430 C GLY A 92 6.351 9.222 -9.145 1.00 0.00 C ATOM 1431 O GLY A 92 7.501 9.353 -8.703 1.00 0.00 O ATOM 0 H GLY A 92 7.188 7.612 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.374 7.339 -9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.531 8.328 -8.392 1.00 0.00 H new ATOM 1435 N PRO A 93 5.804 10.114 -9.983 1.00 0.00 N ATOM 1436 CA PRO A 93 6.430 11.376 -10.364 1.00 0.00 C ATOM 1437 C PRO A 93 6.327 12.395 -9.215 1.00 0.00 C ATOM 1438 O PRO A 93 5.422 12.295 -8.379 1.00 0.00 O ATOM 1439 CB PRO A 93 5.632 11.820 -11.596 1.00 0.00 C ATOM 1440 CG PRO A 93 4.227 11.272 -11.350 1.00 0.00 C ATOM 1441 CD PRO A 93 4.494 9.971 -10.596 1.00 0.00 C ATOM 0 HA PRO A 93 7.495 11.285 -10.578 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.624 12.905 -11.696 1.00 0.00 H new ATOM 0 HB3 PRO A 93 6.061 11.419 -12.514 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.622 11.962 -10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.693 11.095 -12.284 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.728 9.796 -9.840 1.00 0.00 H new ATOM 0 HD3 PRO A 93 4.473 9.118 -11.274 1.00 0.00 H new ATOM 1449 N SER A 94 7.209 13.402 -9.188 1.00 0.00 N ATOM 1450 CA SER A 94 7.128 14.535 -8.269 1.00 0.00 C ATOM 1451 C SER A 94 6.772 15.789 -9.051 1.00 0.00 C ATOM 1452 O SER A 94 7.554 16.267 -9.876 1.00 0.00 O ATOM 1453 CB SER A 94 8.423 14.746 -7.485 1.00 0.00 C ATOM 1454 OG SER A 94 8.546 13.825 -6.419 1.00 0.00 O ATOM 0 H SER A 94 8.011 13.449 -9.816 1.00 0.00 H new ATOM 0 HA SER A 94 6.351 14.317 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.276 14.642 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.449 15.762 -7.092 1.00 0.00 H new ATOM 0 HG SER A 94 9.386 13.988 -5.941 1.00 0.00 H new ATOM 1460 N SER A 95 5.575 16.307 -8.799 1.00 0.00 N ATOM 1461 CA SER A 95 5.097 17.621 -9.201 1.00 0.00 C ATOM 1462 C SER A 95 4.037 18.031 -8.172 1.00 0.00 C ATOM 1463 O SER A 95 3.277 17.169 -7.718 1.00 0.00 O ATOM 1464 CB SER A 95 4.477 17.529 -10.600 1.00 0.00 C ATOM 1465 OG SER A 95 5.417 17.065 -11.557 1.00 0.00 O ATOM 0 H SER A 95 4.870 15.787 -8.276 1.00 0.00 H new ATOM 0 HA SER A 95 5.904 18.353 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.619 16.857 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.105 18.509 -10.899 1.00 0.00 H new ATOM 0 HG SER A 95 4.990 17.016 -12.438 1.00 0.00 H new ATOM 1471 N GLY A 96 3.997 19.304 -7.794 1.00 0.00 N ATOM 1472 CA GLY A 96 3.196 19.828 -6.705 1.00 0.00 C ATOM 1473 C GLY A 96 4.121 20.679 -5.880 1.00 0.00 C ATOM 1474 O GLY A 96 4.372 21.828 -6.288 1.00 0.00 O ATOM 0 H GLY A 96 4.547 20.025 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.360 20.416 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.773 19.020 -6.108 1.00 0.00 H new TER 1478 GLY A 96