USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 510 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 35 ASN : amide:sc= -4.64 X(o=-5.4,f=-5.2!) USER MOD Set 1.2: A 37 THR OG1 : rot -170:sc= -0.805 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.128) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.023 (180deg=-0.408) USER MOD Single : A 4 THR OG1 : rot -39:sc= 0.135 USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00467) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 100:sc= -0.665 USER MOD Single : A 24 THR OG1 : rot -92:sc= 1.07 USER MOD Single : A 25 MET CE :methyl 151:sc= -4.58! (180deg=-6.49!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0995 (180deg=-0.471) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -2.18! USER MOD Single : A 38 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -2.93! C(o=-3.5!,f=-2.9!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.718 F(o=-2.2!,f=-0.72) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.123 (180deg=-0.472) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.306 3.527 3.236 1.00 2.54 N ATOM 2 CA MET A 1 1.521 3.139 2.530 1.00 5.10 C ATOM 3 C MET A 1 1.933 4.212 1.527 1.00 64.54 C ATOM 4 O MET A 1 1.390 5.316 1.527 1.00 41.34 O ATOM 5 CB MET A 1 1.315 1.804 1.812 1.00 52.34 C ATOM 6 CG MET A 1 0.556 0.780 2.639 1.00 33.21 C ATOM 7 SD MET A 1 0.574 -0.863 1.897 1.00 32.52 S ATOM 8 CE MET A 1 -0.425 -0.586 0.436 1.00 22.43 C ATOM 0 H1 MET A 1 0.263 3.032 4.150 1.00 2.54 H new ATOM 0 H2 MET A 1 0.312 4.554 3.398 1.00 2.54 H new ATOM 0 H3 MET A 1 -0.524 3.271 2.664 1.00 2.54 H new ATOM 0 HA MET A 1 2.319 3.028 3.264 1.00 5.10 H new ATOM 0 HB2 MET A 1 0.774 1.981 0.882 1.00 52.34 H new ATOM 0 HB3 MET A 1 2.287 1.392 1.542 1.00 52.34 H new ATOM 0 HG2 MET A 1 0.992 0.729 3.636 1.00 33.21 H new ATOM 0 HG3 MET A 1 -0.476 1.109 2.759 1.00 33.21 H new ATOM 0 HE1 MET A 1 -0.656 -1.542 -0.034 1.00 22.43 H new ATOM 0 HE2 MET A 1 -1.352 -0.087 0.718 1.00 22.43 H new ATOM 0 HE3 MET A 1 0.124 0.040 -0.267 1.00 22.43 H new ATOM 18 N ASP A 2 2.896 3.879 0.674 1.00 71.24 N ATOM 19 CA ASP A 2 3.380 4.814 -0.336 1.00 31.53 C ATOM 20 C ASP A 2 4.251 4.099 -1.365 1.00 14.32 C ATOM 21 O ASP A 2 3.809 3.823 -2.480 1.00 23.14 O ATOM 22 CB ASP A 2 4.171 5.944 0.323 1.00 3.34 C ATOM 23 CG ASP A 2 4.827 5.513 1.621 1.00 74.44 C ATOM 24 OD1 ASP A 2 5.919 4.909 1.562 1.00 75.00 O ATOM 25 OD2 ASP A 2 4.248 5.779 2.694 1.00 0.25 O ATOM 0 H ASP A 2 3.357 2.969 0.662 1.00 71.24 H new ATOM 0 HA ASP A 2 2.516 5.237 -0.849 1.00 31.53 H new ATOM 0 HB2 ASP A 2 4.937 6.298 -0.367 1.00 3.34 H new ATOM 0 HB3 ASP A 2 3.505 6.784 0.518 1.00 3.34 H new ATOM 30 N GLU A 3 5.489 3.805 -0.982 1.00 62.33 N ATOM 31 CA GLU A 3 6.422 3.125 -1.873 1.00 73.44 C ATOM 32 C GLU A 3 6.487 3.823 -3.229 1.00 32.14 C ATOM 33 O GLU A 3 6.758 3.194 -4.252 1.00 42.12 O ATOM 34 CB GLU A 3 6.010 1.663 -2.060 1.00 35.22 C ATOM 35 CG GLU A 3 7.095 0.671 -1.678 1.00 64.24 C ATOM 36 CD GLU A 3 6.713 -0.762 -1.993 1.00 70.40 C ATOM 37 OE1 GLU A 3 7.403 -1.391 -2.823 1.00 73.20 O ATOM 38 OE2 GLU A 3 5.725 -1.255 -1.410 1.00 53.02 O ATOM 0 H GLU A 3 5.869 4.027 -0.062 1.00 62.33 H new ATOM 0 HA GLU A 3 7.411 3.161 -1.417 1.00 73.44 H new ATOM 0 HB2 GLU A 3 5.121 1.465 -1.460 1.00 35.22 H new ATOM 0 HB3 GLU A 3 5.734 1.503 -3.102 1.00 35.22 H new ATOM 0 HG2 GLU A 3 8.014 0.922 -2.207 1.00 64.24 H new ATOM 0 HG3 GLU A 3 7.305 0.761 -0.612 1.00 64.24 H new ATOM 45 N THR A 4 6.235 5.128 -3.228 1.00 1.31 N ATOM 46 CA THR A 4 6.263 5.913 -4.456 1.00 30.31 C ATOM 47 C THR A 4 6.366 7.403 -4.154 1.00 13.41 C ATOM 48 O THR A 4 5.837 8.234 -4.892 1.00 21.04 O ATOM 49 CB THR A 4 5.008 5.659 -5.313 1.00 4.41 C ATOM 50 OG1 THR A 4 4.638 4.278 -5.243 1.00 62.12 O ATOM 51 CG2 THR A 4 5.255 6.051 -6.762 1.00 52.11 C ATOM 0 H THR A 4 6.009 5.664 -2.390 1.00 1.31 H new ATOM 0 HA THR A 4 7.145 5.597 -5.013 1.00 30.31 H new ATOM 0 HB THR A 4 4.196 6.272 -4.921 1.00 4.41 H new ATOM 0 HG1 THR A 4 5.445 3.722 -5.252 1.00 62.12 H new ATOM 0 HG21 THR A 4 4.355 5.863 -7.348 1.00 52.11 H new ATOM 0 HG22 THR A 4 5.508 7.110 -6.814 1.00 52.11 H new ATOM 0 HG23 THR A 4 6.079 5.461 -7.163 1.00 52.11 H new ATOM 59 N GLY A 5 7.051 7.736 -3.064 1.00 13.01 N ATOM 60 CA GLY A 5 7.211 9.128 -2.684 1.00 74.51 C ATOM 61 C GLY A 5 6.084 9.620 -1.797 1.00 24.51 C ATOM 62 O GLY A 5 5.006 9.963 -2.282 1.00 3.30 O ATOM 0 H GLY A 5 7.498 7.067 -2.437 1.00 13.01 H new ATOM 0 HA2 GLY A 5 8.160 9.252 -2.163 1.00 74.51 H new ATOM 0 HA3 GLY A 5 7.258 9.744 -3.582 1.00 74.51 H new ATOM 66 N LYS A 6 6.333 9.652 -0.492 1.00 14.30 N ATOM 67 CA LYS A 6 5.332 10.105 0.467 1.00 54.14 C ATOM 68 C LYS A 6 5.200 11.625 0.440 1.00 65.45 C ATOM 69 O LYS A 6 6.142 12.343 0.772 1.00 43.31 O ATOM 70 CB LYS A 6 5.699 9.639 1.877 1.00 1.43 C ATOM 71 CG LYS A 6 7.099 10.044 2.306 1.00 12.32 C ATOM 72 CD LYS A 6 7.896 8.851 2.804 1.00 25.24 C ATOM 73 CE LYS A 6 7.781 8.694 4.313 1.00 60.32 C ATOM 74 NZ LYS A 6 6.474 8.100 4.710 1.00 2.43 N ATOM 0 H LYS A 6 7.220 9.370 -0.074 1.00 14.30 H new ATOM 0 HA LYS A 6 4.373 9.670 0.186 1.00 54.14 H new ATOM 0 HB2 LYS A 6 4.978 10.048 2.585 1.00 1.43 H new ATOM 0 HB3 LYS A 6 5.613 8.554 1.926 1.00 1.43 H new ATOM 0 HG2 LYS A 6 7.619 10.505 1.466 1.00 12.32 H new ATOM 0 HG3 LYS A 6 7.036 10.795 3.093 1.00 12.32 H new ATOM 0 HD2 LYS A 6 7.540 7.944 2.315 1.00 25.24 H new ATOM 0 HD3 LYS A 6 8.944 8.971 2.528 1.00 25.24 H new ATOM 0 HE2 LYS A 6 8.592 8.063 4.675 1.00 60.32 H new ATOM 0 HE3 LYS A 6 7.897 9.667 4.790 1.00 60.32 H new ATOM 0 HZ1 LYS A 6 6.441 7.993 5.744 1.00 2.43 H new ATOM 0 HZ2 LYS A 6 5.701 8.724 4.401 1.00 2.43 H new ATOM 0 HZ3 LYS A 6 6.366 7.167 4.262 1.00 2.43 H new ATOM 88 N GLU A 7 4.026 12.106 0.043 1.00 24.10 N ATOM 89 CA GLU A 7 3.774 13.540 -0.026 1.00 54.31 C ATOM 90 C GLU A 7 2.400 13.879 0.547 1.00 64.00 C ATOM 91 O GLU A 7 1.626 12.989 0.900 1.00 75.22 O ATOM 92 CB GLU A 7 3.869 14.028 -1.473 1.00 40.41 C ATOM 93 CG GLU A 7 4.756 15.250 -1.646 1.00 62.22 C ATOM 94 CD GLU A 7 3.969 16.546 -1.658 1.00 30.32 C ATOM 95 OE1 GLU A 7 2.981 16.632 -2.417 1.00 11.13 O ATOM 96 OE2 GLU A 7 4.341 17.473 -0.909 1.00 13.02 O ATOM 0 H GLU A 7 3.236 11.524 -0.235 1.00 24.10 H new ATOM 0 HA GLU A 7 4.533 14.045 0.571 1.00 54.31 H new ATOM 0 HB2 GLU A 7 4.253 13.220 -2.096 1.00 40.41 H new ATOM 0 HB3 GLU A 7 2.868 14.262 -1.835 1.00 40.41 H new ATOM 0 HG2 GLU A 7 5.487 15.281 -0.838 1.00 62.22 H new ATOM 0 HG3 GLU A 7 5.314 15.160 -2.578 1.00 62.22 H new ATOM 103 N LEU A 8 2.106 15.171 0.637 1.00 1.22 N ATOM 104 CA LEU A 8 0.827 15.629 1.168 1.00 53.22 C ATOM 105 C LEU A 8 0.185 16.651 0.235 1.00 13.10 C ATOM 106 O LEU A 8 0.878 17.405 -0.449 1.00 33.51 O ATOM 107 CB LEU A 8 1.018 16.239 2.557 1.00 14.45 C ATOM 108 CG LEU A 8 0.349 15.496 3.715 1.00 63.04 C ATOM 109 CD1 LEU A 8 0.663 14.010 3.646 1.00 22.52 C ATOM 110 CD2 LEU A 8 0.794 16.076 5.049 1.00 4.11 C ATOM 0 H LEU A 8 2.736 15.920 0.349 1.00 1.22 H new ATOM 0 HA LEU A 8 0.164 14.767 1.245 1.00 53.22 H new ATOM 0 HB2 LEU A 8 2.087 16.301 2.761 1.00 14.45 H new ATOM 0 HB3 LEU A 8 0.637 17.260 2.539 1.00 14.45 H new ATOM 0 HG LEU A 8 -0.730 15.623 3.629 1.00 63.04 H new ATOM 0 HD11 LEU A 8 0.179 13.497 4.477 1.00 22.52 H new ATOM 0 HD12 LEU A 8 0.294 13.603 2.704 1.00 22.52 H new ATOM 0 HD13 LEU A 8 1.741 13.863 3.707 1.00 22.52 H new ATOM 0 HD21 LEU A 8 0.308 15.535 5.861 1.00 4.11 H new ATOM 0 HD22 LEU A 8 1.875 15.980 5.145 1.00 4.11 H new ATOM 0 HD23 LEU A 8 0.518 17.129 5.098 1.00 4.11 H new ATOM 122 N VAL A 9 -1.144 16.673 0.214 1.00 73.31 N ATOM 123 CA VAL A 9 -1.880 17.604 -0.632 1.00 54.52 C ATOM 124 C VAL A 9 -3.169 18.059 0.043 1.00 12.31 C ATOM 125 O VAL A 9 -3.584 17.496 1.057 1.00 75.13 O ATOM 126 CB VAL A 9 -2.223 16.974 -1.995 1.00 44.54 C ATOM 127 CG1 VAL A 9 -0.959 16.501 -2.697 1.00 70.13 C ATOM 128 CG2 VAL A 9 -3.207 15.828 -1.820 1.00 24.31 C ATOM 0 H VAL A 9 -1.733 16.056 0.774 1.00 73.31 H new ATOM 0 HA VAL A 9 -1.232 18.466 -0.791 1.00 54.52 H new ATOM 0 HB VAL A 9 -2.694 17.734 -2.619 1.00 44.54 H new ATOM 0 HG11 VAL A 9 -1.221 16.059 -3.658 1.00 70.13 H new ATOM 0 HG12 VAL A 9 -0.293 17.349 -2.857 1.00 70.13 H new ATOM 0 HG13 VAL A 9 -0.457 15.756 -2.080 1.00 70.13 H new ATOM 0 HG21 VAL A 9 -3.438 15.395 -2.793 1.00 24.31 H new ATOM 0 HG22 VAL A 9 -2.766 15.065 -1.179 1.00 24.31 H new ATOM 0 HG23 VAL A 9 -4.123 16.202 -1.363 1.00 24.31 H new ATOM 138 N LEU A 10 -3.799 19.082 -0.525 1.00 31.21 N ATOM 139 CA LEU A 10 -5.043 19.613 0.022 1.00 42.33 C ATOM 140 C LEU A 10 -6.187 19.455 -0.975 1.00 1.24 C ATOM 141 O LEU A 10 -5.993 19.583 -2.183 1.00 41.30 O ATOM 142 CB LEU A 10 -4.872 21.088 0.390 1.00 50.23 C ATOM 143 CG LEU A 10 -4.301 21.371 1.779 1.00 3.45 C ATOM 144 CD1 LEU A 10 -5.323 21.039 2.855 1.00 74.11 C ATOM 145 CD2 LEU A 10 -3.018 20.584 1.999 1.00 25.43 C ATOM 0 H LEU A 10 -3.469 19.560 -1.364 1.00 31.21 H new ATOM 0 HA LEU A 10 -5.288 19.047 0.921 1.00 42.33 H new ATOM 0 HB2 LEU A 10 -4.221 21.553 -0.350 1.00 50.23 H new ATOM 0 HB3 LEU A 10 -5.843 21.576 0.312 1.00 50.23 H new ATOM 0 HG LEU A 10 -4.068 22.434 1.844 1.00 3.45 H new ATOM 0 HD11 LEU A 10 -4.898 21.247 3.837 1.00 74.11 H new ATOM 0 HD12 LEU A 10 -6.215 21.648 2.709 1.00 74.11 H new ATOM 0 HD13 LEU A 10 -5.589 19.984 2.791 1.00 74.11 H new ATOM 0 HD21 LEU A 10 -2.626 20.798 2.993 1.00 25.43 H new ATOM 0 HD22 LEU A 10 -3.226 19.518 1.913 1.00 25.43 H new ATOM 0 HD23 LEU A 10 -2.281 20.872 1.249 1.00 25.43 H new ATOM 157 N ALA A 11 -7.380 19.178 -0.459 1.00 0.23 N ATOM 158 CA ALA A 11 -8.556 19.007 -1.303 1.00 11.15 C ATOM 159 C ALA A 11 -8.985 20.333 -1.921 1.00 54.03 C ATOM 160 O ALA A 11 -9.513 21.209 -1.234 1.00 62.22 O ATOM 161 CB ALA A 11 -9.698 18.403 -0.499 1.00 74.24 C ATOM 0 H ALA A 11 -7.557 19.067 0.539 1.00 0.23 H new ATOM 0 HA ALA A 11 -8.296 18.326 -2.113 1.00 11.15 H new ATOM 0 HB1 ALA A 11 -10.570 18.281 -1.141 1.00 74.24 H new ATOM 0 HB2 ALA A 11 -9.395 17.431 -0.110 1.00 74.24 H new ATOM 0 HB3 ALA A 11 -9.948 19.064 0.331 1.00 74.24 H new ATOM 167 N LEU A 12 -8.756 20.475 -3.222 1.00 41.20 N ATOM 168 CA LEU A 12 -9.119 21.696 -3.934 1.00 24.20 C ATOM 169 C LEU A 12 -10.612 21.722 -4.244 1.00 1.24 C ATOM 170 O LEU A 12 -11.214 22.790 -4.356 1.00 11.32 O ATOM 171 CB LEU A 12 -8.315 21.811 -5.231 1.00 12.24 C ATOM 172 CG LEU A 12 -8.302 23.190 -5.892 1.00 30.14 C ATOM 173 CD1 LEU A 12 -7.722 24.230 -4.945 1.00 74.04 C ATOM 174 CD2 LEU A 12 -7.513 23.150 -7.192 1.00 3.50 C ATOM 0 H LEU A 12 -8.321 19.760 -3.805 1.00 41.20 H new ATOM 0 HA LEU A 12 -8.885 22.545 -3.292 1.00 24.20 H new ATOM 0 HB2 LEU A 12 -7.285 21.520 -5.024 1.00 12.24 H new ATOM 0 HB3 LEU A 12 -8.712 21.091 -5.946 1.00 12.24 H new ATOM 0 HG LEU A 12 -9.329 23.472 -6.123 1.00 30.14 H new ATOM 0 HD11 LEU A 12 -7.721 25.205 -5.432 1.00 74.04 H new ATOM 0 HD12 LEU A 12 -8.329 24.277 -4.041 1.00 74.04 H new ATOM 0 HD13 LEU A 12 -6.701 23.954 -4.683 1.00 74.04 H new ATOM 0 HD21 LEU A 12 -7.514 24.140 -7.649 1.00 3.50 H new ATOM 0 HD22 LEU A 12 -6.487 22.847 -6.985 1.00 3.50 H new ATOM 0 HD23 LEU A 12 -7.972 22.435 -7.874 1.00 3.50 H new ATOM 186 N TYR A 13 -11.204 20.541 -4.378 1.00 62.35 N ATOM 187 CA TYR A 13 -12.627 20.428 -4.675 1.00 41.21 C ATOM 188 C TYR A 13 -13.264 19.299 -3.870 1.00 45.33 C ATOM 189 O TYR A 13 -12.727 18.194 -3.799 1.00 21.42 O ATOM 190 CB TYR A 13 -12.840 20.187 -6.170 1.00 60.44 C ATOM 191 CG TYR A 13 -14.258 19.802 -6.526 1.00 15.14 C ATOM 192 CD1 TYR A 13 -14.526 18.641 -7.241 1.00 41.30 C ATOM 193 CD2 TYR A 13 -15.331 20.600 -6.147 1.00 31.32 C ATOM 194 CE1 TYR A 13 -15.820 18.286 -7.568 1.00 52.24 C ATOM 195 CE2 TYR A 13 -16.629 20.252 -6.468 1.00 63.35 C ATOM 196 CZ TYR A 13 -16.868 19.094 -7.180 1.00 11.35 C ATOM 197 OH TYR A 13 -18.159 18.745 -7.503 1.00 71.12 O ATOM 0 H TYR A 13 -10.720 19.648 -4.286 1.00 62.35 H new ATOM 0 HA TYR A 13 -13.106 21.366 -4.393 1.00 41.21 H new ATOM 0 HB2 TYR A 13 -12.570 21.090 -6.717 1.00 60.44 H new ATOM 0 HB3 TYR A 13 -12.164 19.399 -6.502 1.00 60.44 H new ATOM 0 HD1 TYR A 13 -13.708 18.005 -7.546 1.00 41.30 H new ATOM 0 HD2 TYR A 13 -15.147 21.508 -5.592 1.00 31.32 H new ATOM 0 HE1 TYR A 13 -16.010 17.380 -8.125 1.00 52.24 H new ATOM 0 HE2 TYR A 13 -17.452 20.882 -6.164 1.00 63.35 H new ATOM 0 HH TYR A 13 -18.777 19.420 -7.154 1.00 71.12 H new ATOM 207 N ASP A 14 -14.412 19.587 -3.267 1.00 25.42 N ATOM 208 CA ASP A 14 -15.124 18.596 -2.468 1.00 11.21 C ATOM 209 C ASP A 14 -15.538 17.403 -3.324 1.00 52.50 C ATOM 210 O ASP A 14 -16.573 17.434 -3.991 1.00 1.42 O ATOM 211 CB ASP A 14 -16.357 19.226 -1.818 1.00 31.34 C ATOM 212 CG ASP A 14 -16.592 18.717 -0.409 1.00 4.53 C ATOM 213 OD1 ASP A 14 -16.056 19.328 0.540 1.00 44.53 O ATOM 214 OD2 ASP A 14 -17.312 17.709 -0.254 1.00 41.33 O ATOM 0 H ASP A 14 -14.869 20.497 -3.316 1.00 25.42 H new ATOM 0 HA ASP A 14 -14.451 18.243 -1.687 1.00 11.21 H new ATOM 0 HB2 ASP A 14 -16.239 20.309 -1.795 1.00 31.34 H new ATOM 0 HB3 ASP A 14 -17.235 19.014 -2.429 1.00 31.34 H new ATOM 219 N TYR A 15 -14.724 16.355 -3.301 1.00 64.54 N ATOM 220 CA TYR A 15 -15.003 15.153 -4.078 1.00 74.32 C ATOM 221 C TYR A 15 -15.632 14.072 -3.203 1.00 43.41 C ATOM 222 O TYR A 15 -15.112 13.743 -2.137 1.00 72.33 O ATOM 223 CB TYR A 15 -13.719 14.623 -4.718 1.00 41.20 C ATOM 224 CG TYR A 15 -13.878 14.247 -6.174 1.00 31.12 C ATOM 225 CD1 TYR A 15 -14.418 13.020 -6.539 1.00 73.02 C ATOM 226 CD2 TYR A 15 -13.488 15.118 -7.184 1.00 24.54 C ATOM 227 CE1 TYR A 15 -14.565 12.671 -7.868 1.00 11.40 C ATOM 228 CE2 TYR A 15 -13.632 14.778 -8.515 1.00 10.12 C ATOM 229 CZ TYR A 15 -14.171 13.554 -8.852 1.00 30.00 C ATOM 230 OH TYR A 15 -14.315 13.212 -10.177 1.00 32.51 O ATOM 0 H TYR A 15 -13.865 16.313 -2.753 1.00 64.54 H new ATOM 0 HA TYR A 15 -15.710 15.416 -4.864 1.00 74.32 H new ATOM 0 HB2 TYR A 15 -12.940 15.380 -4.630 1.00 41.20 H new ATOM 0 HB3 TYR A 15 -13.379 13.750 -4.161 1.00 41.20 H new ATOM 0 HD1 TYR A 15 -14.728 12.327 -5.771 1.00 73.02 H new ATOM 0 HD2 TYR A 15 -13.065 16.077 -6.924 1.00 24.54 H new ATOM 0 HE1 TYR A 15 -14.986 11.713 -8.135 1.00 11.40 H new ATOM 0 HE2 TYR A 15 -13.324 15.467 -9.288 1.00 10.12 H new ATOM 0 HH TYR A 15 -13.991 13.945 -10.741 1.00 32.51 H new ATOM 240 N GLN A 16 -16.753 13.526 -3.663 1.00 25.43 N ATOM 241 CA GLN A 16 -17.452 12.482 -2.922 1.00 54.44 C ATOM 242 C GLN A 16 -17.101 11.101 -3.464 1.00 64.13 C ATOM 243 O GLN A 16 -17.258 10.095 -2.773 1.00 63.03 O ATOM 244 CB GLN A 16 -18.964 12.702 -2.996 1.00 54.41 C ATOM 245 CG GLN A 16 -19.644 12.721 -1.636 1.00 65.22 C ATOM 246 CD GLN A 16 -20.906 11.881 -1.603 1.00 5.43 C ATOM 247 OE1 GLN A 16 -21.691 11.882 -2.551 1.00 65.24 O ATOM 248 NE2 GLN A 16 -21.108 11.159 -0.507 1.00 5.21 N ATOM 0 H GLN A 16 -17.196 13.788 -4.543 1.00 25.43 H new ATOM 0 HA GLN A 16 -17.134 12.535 -1.881 1.00 54.44 H new ATOM 0 HB2 GLN A 16 -19.161 13.646 -3.504 1.00 54.41 H new ATOM 0 HB3 GLN A 16 -19.408 11.914 -3.604 1.00 54.41 H new ATOM 0 HG2 GLN A 16 -18.948 12.355 -0.881 1.00 65.22 H new ATOM 0 HG3 GLN A 16 -19.889 13.749 -1.371 1.00 65.22 H new ATOM 0 HE21 GLN A 16 -20.431 11.188 0.255 1.00 5.21 H new ATOM 0 HE22 GLN A 16 -21.941 10.575 -0.427 1.00 5.21 H new ATOM 257 N GLU A 17 -16.625 11.061 -4.705 1.00 24.31 N ATOM 258 CA GLU A 17 -16.252 9.802 -5.339 1.00 70.40 C ATOM 259 C GLU A 17 -17.471 8.902 -5.521 1.00 55.52 C ATOM 260 O GLU A 17 -18.552 9.190 -5.005 1.00 61.35 O ATOM 261 CB GLU A 17 -15.192 9.079 -4.505 1.00 40.11 C ATOM 262 CG GLU A 17 -14.018 9.962 -4.116 1.00 63.54 C ATOM 263 CD GLU A 17 -13.235 10.454 -5.318 1.00 52.12 C ATOM 264 OE1 GLU A 17 -12.307 11.267 -5.128 1.00 3.50 O ATOM 265 OE2 GLU A 17 -13.551 10.027 -6.448 1.00 50.02 O ATOM 0 H GLU A 17 -16.489 11.885 -5.290 1.00 24.31 H new ATOM 0 HA GLU A 17 -15.839 10.029 -6.322 1.00 70.40 H new ATOM 0 HB2 GLU A 17 -15.658 8.688 -3.600 1.00 40.11 H new ATOM 0 HB3 GLU A 17 -14.821 8.222 -5.068 1.00 40.11 H new ATOM 0 HG2 GLU A 17 -14.384 10.819 -3.550 1.00 63.54 H new ATOM 0 HG3 GLU A 17 -13.352 9.405 -3.456 1.00 63.54 H new ATOM 272 N LYS A 18 -17.290 7.813 -6.259 1.00 74.53 N ATOM 273 CA LYS A 18 -18.374 6.869 -6.511 1.00 4.44 C ATOM 274 C LYS A 18 -17.826 5.472 -6.782 1.00 33.34 C ATOM 275 O LYS A 18 -18.483 4.651 -7.422 1.00 51.12 O ATOM 276 CB LYS A 18 -19.219 7.337 -7.698 1.00 31.44 C ATOM 277 CG LYS A 18 -20.082 8.548 -7.390 1.00 50.23 C ATOM 278 CD LYS A 18 -21.049 8.270 -6.252 1.00 74.41 C ATOM 279 CE LYS A 18 -22.487 8.554 -6.660 1.00 3.51 C ATOM 280 NZ LYS A 18 -23.424 8.431 -5.510 1.00 14.34 N ATOM 0 H LYS A 18 -16.402 7.561 -6.694 1.00 74.53 H new ATOM 0 HA LYS A 18 -19.001 6.827 -5.621 1.00 4.44 H new ATOM 0 HB2 LYS A 18 -18.559 7.575 -8.532 1.00 31.44 H new ATOM 0 HB3 LYS A 18 -19.860 6.517 -8.022 1.00 31.44 H new ATOM 0 HG2 LYS A 18 -19.445 9.393 -7.129 1.00 50.23 H new ATOM 0 HG3 LYS A 18 -20.641 8.834 -8.281 1.00 50.23 H new ATOM 0 HD2 LYS A 18 -20.957 7.229 -5.941 1.00 74.41 H new ATOM 0 HD3 LYS A 18 -20.786 8.885 -5.391 1.00 74.41 H new ATOM 0 HE2 LYS A 18 -22.554 9.559 -7.078 1.00 3.51 H new ATOM 0 HE3 LYS A 18 -22.785 7.861 -7.447 1.00 3.51 H new ATOM 0 HZ1 LYS A 18 -24.393 8.632 -5.829 1.00 14.34 H new ATOM 0 HZ2 LYS A 18 -23.379 7.465 -5.127 1.00 14.34 H new ATOM 0 HZ3 LYS A 18 -23.156 9.110 -4.769 1.00 14.34 H new ATOM 294 N SER A 19 -16.620 5.207 -6.289 1.00 14.53 N ATOM 295 CA SER A 19 -15.984 3.909 -6.480 1.00 51.40 C ATOM 296 C SER A 19 -15.026 3.600 -5.334 1.00 20.12 C ATOM 297 O SER A 19 -14.547 4.492 -4.633 1.00 34.22 O ATOM 298 CB SER A 19 -15.231 3.878 -7.812 1.00 14.04 C ATOM 299 OG SER A 19 -15.816 2.947 -8.706 1.00 1.11 O ATOM 0 H SER A 19 -16.064 5.874 -5.754 1.00 14.53 H new ATOM 0 HA SER A 19 -16.764 3.148 -6.494 1.00 51.40 H new ATOM 0 HB2 SER A 19 -15.238 4.871 -8.261 1.00 14.04 H new ATOM 0 HB3 SER A 19 -14.188 3.614 -7.638 1.00 14.04 H new ATOM 0 HG SER A 19 -16.387 3.422 -9.345 1.00 1.11 H new ATOM 305 N PRO A 20 -14.739 2.305 -5.137 1.00 65.44 N ATOM 306 CA PRO A 20 -13.835 1.846 -4.078 1.00 31.00 C ATOM 307 C PRO A 20 -12.384 2.228 -4.348 1.00 1.21 C ATOM 308 O PRO A 20 -11.582 2.352 -3.422 1.00 31.32 O ATOM 309 CB PRO A 20 -14.001 0.325 -4.104 1.00 72.52 C ATOM 310 CG PRO A 20 -14.441 0.015 -5.493 1.00 54.45 C ATOM 311 CD PRO A 20 -15.273 1.188 -5.935 1.00 21.00 C ATOM 0 HA PRO A 20 -14.073 2.298 -3.115 1.00 31.00 H new ATOM 0 HB2 PRO A 20 -13.065 -0.179 -3.863 1.00 72.52 H new ATOM 0 HB3 PRO A 20 -14.738 -0.005 -3.372 1.00 72.52 H new ATOM 0 HG2 PRO A 20 -13.584 -0.126 -6.152 1.00 54.45 H new ATOM 0 HG3 PRO A 20 -15.021 -0.908 -5.522 1.00 54.45 H new ATOM 0 HD2 PRO A 20 -15.171 1.373 -7.004 1.00 21.00 H new ATOM 0 HD3 PRO A 20 -16.333 1.025 -5.740 1.00 21.00 H new ATOM 319 N ARG A 21 -12.053 2.414 -5.621 1.00 41.55 N ATOM 320 CA ARG A 21 -10.697 2.782 -6.013 1.00 14.13 C ATOM 321 C ARG A 21 -10.521 4.298 -6.004 1.00 32.31 C ATOM 322 O ARG A 21 -9.542 4.821 -6.534 1.00 62.21 O ATOM 323 CB ARG A 21 -10.377 2.229 -7.403 1.00 32.24 C ATOM 324 CG ARG A 21 -10.753 3.171 -8.535 1.00 34.34 C ATOM 325 CD ARG A 21 -10.907 2.426 -9.851 1.00 74.43 C ATOM 326 NE ARG A 21 -12.087 2.863 -10.593 1.00 43.42 N ATOM 327 CZ ARG A 21 -13.313 2.412 -10.356 1.00 54.13 C ATOM 328 NH1 ARG A 21 -13.521 1.515 -9.402 1.00 65.13 N ATOM 329 NH2 ARG A 21 -14.336 2.859 -11.074 1.00 71.31 N ATOM 0 H ARG A 21 -12.705 2.316 -6.399 1.00 41.55 H new ATOM 0 HA ARG A 21 -10.006 2.349 -5.289 1.00 14.13 H new ATOM 0 HB2 ARG A 21 -9.310 2.012 -7.462 1.00 32.24 H new ATOM 0 HB3 ARG A 21 -10.903 1.284 -7.539 1.00 32.24 H new ATOM 0 HG2 ARG A 21 -11.686 3.679 -8.292 1.00 34.34 H new ATOM 0 HG3 ARG A 21 -9.988 3.941 -8.639 1.00 34.34 H new ATOM 0 HD2 ARG A 21 -10.017 2.581 -10.461 1.00 74.43 H new ATOM 0 HD3 ARG A 21 -10.977 1.356 -9.656 1.00 74.43 H new ATOM 0 HE ARG A 21 -11.962 3.553 -11.334 1.00 43.42 H new ATOM 0 HH11 ARG A 21 -12.738 1.169 -8.847 1.00 65.13 H new ATOM 0 HH12 ARG A 21 -14.464 1.171 -9.223 1.00 65.13 H new ATOM 0 HH21 ARG A 21 -14.181 3.549 -11.808 1.00 71.31 H new ATOM 0 HH22 ARG A 21 -15.278 2.512 -10.891 1.00 71.31 H new ATOM 343 N GLU A 22 -11.477 4.996 -5.399 1.00 2.15 N ATOM 344 CA GLU A 22 -11.427 6.451 -5.322 1.00 42.45 C ATOM 345 C GLU A 22 -11.217 6.914 -3.884 1.00 5.14 C ATOM 346 O GLU A 22 -11.404 6.147 -2.939 1.00 63.12 O ATOM 347 CB GLU A 22 -12.715 7.058 -5.882 1.00 14.03 C ATOM 348 CG GLU A 22 -12.768 7.081 -7.400 1.00 54.10 C ATOM 349 CD GLU A 22 -14.073 7.644 -7.930 1.00 1.12 C ATOM 350 OE1 GLU A 22 -15.130 7.027 -7.679 1.00 44.33 O ATOM 351 OE2 GLU A 22 -14.037 8.700 -8.595 1.00 14.44 O ATOM 0 H GLU A 22 -12.295 4.578 -4.955 1.00 2.15 H new ATOM 0 HA GLU A 22 -10.583 6.791 -5.921 1.00 42.45 H new ATOM 0 HB2 GLU A 22 -13.567 6.492 -5.506 1.00 14.03 H new ATOM 0 HB3 GLU A 22 -12.819 8.076 -5.508 1.00 14.03 H new ATOM 0 HG2 GLU A 22 -11.938 7.677 -7.780 1.00 54.10 H new ATOM 0 HG3 GLU A 22 -12.633 6.068 -7.780 1.00 54.10 H new ATOM 358 N VAL A 23 -10.825 8.175 -3.725 1.00 35.43 N ATOM 359 CA VAL A 23 -10.590 8.741 -2.402 1.00 42.00 C ATOM 360 C VAL A 23 -11.444 9.984 -2.176 1.00 64.33 C ATOM 361 O VAL A 23 -11.228 11.022 -2.803 1.00 21.22 O ATOM 362 CB VAL A 23 -9.107 9.108 -2.205 1.00 21.45 C ATOM 363 CG1 VAL A 23 -8.952 10.121 -1.081 1.00 13.02 C ATOM 364 CG2 VAL A 23 -8.283 7.860 -1.925 1.00 63.24 C ATOM 0 H VAL A 23 -10.664 8.823 -4.496 1.00 35.43 H new ATOM 0 HA VAL A 23 -10.868 7.976 -1.676 1.00 42.00 H new ATOM 0 HB VAL A 23 -8.738 9.562 -3.125 1.00 21.45 H new ATOM 0 HG11 VAL A 23 -7.898 10.368 -0.957 1.00 13.02 H new ATOM 0 HG12 VAL A 23 -9.510 11.025 -1.326 1.00 13.02 H new ATOM 0 HG13 VAL A 23 -9.337 9.697 -0.154 1.00 13.02 H new ATOM 0 HG21 VAL A 23 -7.238 8.137 -1.788 1.00 63.24 H new ATOM 0 HG22 VAL A 23 -8.651 7.376 -1.020 1.00 63.24 H new ATOM 0 HG23 VAL A 23 -8.369 7.171 -2.765 1.00 63.24 H new ATOM 374 N THR A 24 -12.415 9.872 -1.276 1.00 34.11 N ATOM 375 CA THR A 24 -13.303 10.986 -0.967 1.00 70.20 C ATOM 376 C THR A 24 -12.582 12.053 -0.152 1.00 14.34 C ATOM 377 O THR A 24 -12.068 11.778 0.932 1.00 33.00 O ATOM 378 CB THR A 24 -14.546 10.514 -0.190 1.00 14.44 C ATOM 379 OG1 THR A 24 -15.286 9.572 -0.973 1.00 71.45 O ATOM 380 CG2 THR A 24 -15.439 11.693 0.170 1.00 25.14 C ATOM 0 H THR A 24 -12.607 9.021 -0.748 1.00 34.11 H new ATOM 0 HA THR A 24 -13.620 11.412 -1.919 1.00 70.20 H new ATOM 0 HB THR A 24 -14.211 10.036 0.731 1.00 14.44 H new ATOM 0 HG1 THR A 24 -15.966 10.045 -1.497 1.00 71.45 H new ATOM 0 HG21 THR A 24 -16.311 11.335 0.718 1.00 25.14 H new ATOM 0 HG22 THR A 24 -14.882 12.395 0.791 1.00 25.14 H new ATOM 0 HG23 THR A 24 -15.764 12.195 -0.741 1.00 25.14 H new ATOM 388 N MET A 25 -12.549 13.273 -0.679 1.00 75.45 N ATOM 389 CA MET A 25 -11.893 14.382 0.002 1.00 42.32 C ATOM 390 C MET A 25 -12.834 15.576 0.129 1.00 71.24 C ATOM 391 O MET A 25 -13.744 15.751 -0.682 1.00 44.44 O ATOM 392 CB MET A 25 -10.627 14.794 -0.752 1.00 42.11 C ATOM 393 CG MET A 25 -10.906 15.539 -2.047 1.00 51.41 C ATOM 394 SD MET A 25 -10.546 14.549 -3.510 1.00 42.01 S ATOM 395 CE MET A 25 -9.321 15.574 -4.320 1.00 4.42 C ATOM 0 H MET A 25 -12.969 13.518 -1.576 1.00 75.45 H new ATOM 0 HA MET A 25 -11.619 14.050 1.003 1.00 42.32 H new ATOM 0 HB2 MET A 25 -10.017 15.424 -0.104 1.00 42.11 H new ATOM 0 HB3 MET A 25 -10.040 13.903 -0.974 1.00 42.11 H new ATOM 0 HG2 MET A 25 -11.952 15.844 -2.068 1.00 51.41 H new ATOM 0 HG3 MET A 25 -10.308 16.450 -2.073 1.00 51.41 H new ATOM 0 HE1 MET A 25 -8.646 14.945 -4.900 1.00 4.42 H new ATOM 0 HE2 MET A 25 -9.819 16.281 -4.984 1.00 4.42 H new ATOM 0 HE3 MET A 25 -8.751 16.121 -3.569 1.00 4.42 H new ATOM 405 N LYS A 26 -12.610 16.394 1.151 1.00 13.13 N ATOM 406 CA LYS A 26 -13.437 17.572 1.385 1.00 54.05 C ATOM 407 C LYS A 26 -12.629 18.851 1.191 1.00 53.21 C ATOM 408 O LYS A 26 -11.555 19.013 1.770 1.00 21.11 O ATOM 409 CB LYS A 26 -14.025 17.536 2.797 1.00 12.30 C ATOM 410 CG LYS A 26 -15.454 17.024 2.848 1.00 13.34 C ATOM 411 CD LYS A 26 -16.426 18.122 3.249 1.00 23.21 C ATOM 412 CE LYS A 26 -16.718 18.090 4.741 1.00 2.15 C ATOM 413 NZ LYS A 26 -18.124 17.689 5.023 1.00 21.21 N ATOM 0 H LYS A 26 -11.862 16.263 1.832 1.00 13.13 H new ATOM 0 HA LYS A 26 -14.251 17.564 0.660 1.00 54.05 H new ATOM 0 HB2 LYS A 26 -13.399 16.904 3.426 1.00 12.30 H new ATOM 0 HB3 LYS A 26 -13.992 18.540 3.221 1.00 12.30 H new ATOM 0 HG2 LYS A 26 -15.734 16.627 1.872 1.00 13.34 H new ATOM 0 HG3 LYS A 26 -15.521 16.200 3.558 1.00 13.34 H new ATOM 0 HD2 LYS A 26 -16.011 19.093 2.979 1.00 23.21 H new ATOM 0 HD3 LYS A 26 -17.356 18.007 2.693 1.00 23.21 H new ATOM 0 HE2 LYS A 26 -16.037 17.393 5.229 1.00 2.15 H new ATOM 0 HE3 LYS A 26 -16.528 19.074 5.169 1.00 2.15 H new ATOM 0 HZ1 LYS A 26 -18.283 17.679 6.051 1.00 21.21 H new ATOM 0 HZ2 LYS A 26 -18.774 18.368 4.579 1.00 21.21 H new ATOM 0 HZ3 LYS A 26 -18.298 16.739 4.637 1.00 21.21 H new ATOM 427 N LYS A 27 -13.153 19.759 0.374 1.00 34.31 N ATOM 428 CA LYS A 27 -12.483 21.025 0.106 1.00 41.31 C ATOM 429 C LYS A 27 -11.897 21.613 1.386 1.00 73.20 C ATOM 430 O LYS A 27 -12.622 22.153 2.221 1.00 61.51 O ATOM 431 CB LYS A 27 -13.461 22.020 -0.524 1.00 5.22 C ATOM 432 CG LYS A 27 -12.785 23.245 -1.116 1.00 61.22 C ATOM 433 CD LYS A 27 -13.801 24.230 -1.668 1.00 54.21 C ATOM 434 CE LYS A 27 -14.529 24.964 -0.552 1.00 40.22 C ATOM 435 NZ LYS A 27 -13.601 25.798 0.260 1.00 2.34 N ATOM 0 H LYS A 27 -14.041 19.641 -0.114 1.00 34.31 H new ATOM 0 HA LYS A 27 -11.667 20.835 -0.592 1.00 41.31 H new ATOM 0 HB2 LYS A 27 -14.027 21.514 -1.306 1.00 5.22 H new ATOM 0 HB3 LYS A 27 -14.178 22.341 0.232 1.00 5.22 H new ATOM 0 HG2 LYS A 27 -12.181 23.734 -0.351 1.00 61.22 H new ATOM 0 HG3 LYS A 27 -12.105 22.938 -1.911 1.00 61.22 H new ATOM 0 HD2 LYS A 27 -13.297 24.951 -2.311 1.00 54.21 H new ATOM 0 HD3 LYS A 27 -14.524 23.700 -2.288 1.00 54.21 H new ATOM 0 HE2 LYS A 27 -15.306 25.597 -0.980 1.00 40.22 H new ATOM 0 HE3 LYS A 27 -15.027 24.241 0.094 1.00 40.22 H new ATOM 0 HZ1 LYS A 27 -14.143 26.524 0.771 1.00 2.34 H new ATOM 0 HZ2 LYS A 27 -13.100 25.195 0.944 1.00 2.34 H new ATOM 0 HZ3 LYS A 27 -12.910 26.259 -0.366 1.00 2.34 H new ATOM 449 N GLY A 28 -10.580 21.505 1.533 1.00 31.00 N ATOM 450 CA GLY A 28 -9.920 22.031 2.713 1.00 0.33 C ATOM 451 C GLY A 28 -9.465 20.938 3.659 1.00 22.22 C ATOM 452 O GLY A 28 -9.444 21.128 4.875 1.00 14.43 O ATOM 0 H GLY A 28 -9.959 21.063 0.856 1.00 31.00 H new ATOM 0 HA2 GLY A 28 -9.059 22.626 2.409 1.00 0.33 H new ATOM 0 HA3 GLY A 28 -10.601 22.701 3.238 1.00 0.33 H new ATOM 456 N ASP A 29 -9.100 19.789 3.101 1.00 73.11 N ATOM 457 CA ASP A 29 -8.644 18.660 3.903 1.00 22.21 C ATOM 458 C ASP A 29 -7.297 18.147 3.403 1.00 3.42 C ATOM 459 O ASP A 29 -6.920 18.382 2.255 1.00 41.23 O ATOM 460 CB ASP A 29 -9.677 17.532 3.870 1.00 43.24 C ATOM 461 CG ASP A 29 -9.292 16.424 2.910 1.00 75.53 C ATOM 462 OD1 ASP A 29 -9.259 15.251 3.339 1.00 12.24 O ATOM 463 OD2 ASP A 29 -9.026 16.728 1.728 1.00 21.15 O ATOM 0 H ASP A 29 -9.111 19.615 2.096 1.00 73.11 H new ATOM 0 HA ASP A 29 -8.524 19.002 4.931 1.00 22.21 H new ATOM 0 HB2 ASP A 29 -9.791 17.118 4.872 1.00 43.24 H new ATOM 0 HB3 ASP A 29 -10.646 17.939 3.581 1.00 43.24 H new ATOM 468 N ILE A 30 -6.576 17.448 4.273 1.00 3.21 N ATOM 469 CA ILE A 30 -5.271 16.903 3.920 1.00 41.15 C ATOM 470 C ILE A 30 -5.340 15.392 3.728 1.00 70.11 C ATOM 471 O ILE A 30 -6.049 14.695 4.455 1.00 72.43 O ATOM 472 CB ILE A 30 -4.216 17.225 4.995 1.00 51.35 C ATOM 473 CG1 ILE A 30 -3.253 18.302 4.489 1.00 34.31 C ATOM 474 CG2 ILE A 30 -3.455 15.967 5.384 1.00 71.33 C ATOM 475 CD1 ILE A 30 -2.145 17.759 3.615 1.00 23.40 C ATOM 0 H ILE A 30 -6.874 17.246 5.227 1.00 3.21 H new ATOM 0 HA ILE A 30 -4.976 17.373 2.982 1.00 41.15 H new ATOM 0 HB ILE A 30 -4.725 17.606 5.880 1.00 51.35 H new ATOM 0 HG12 ILE A 30 -3.816 19.047 3.927 1.00 34.31 H new ATOM 0 HG13 ILE A 30 -2.812 18.815 5.344 1.00 34.31 H new ATOM 0 HG21 ILE A 30 -2.713 16.211 6.144 1.00 71.33 H new ATOM 0 HG22 ILE A 30 -4.152 15.228 5.780 1.00 71.33 H new ATOM 0 HG23 ILE A 30 -2.954 15.559 4.506 1.00 71.33 H new ATOM 0 HD11 ILE A 30 -1.501 18.578 3.293 1.00 23.40 H new ATOM 0 HD12 ILE A 30 -1.557 17.036 4.180 1.00 23.40 H new ATOM 0 HD13 ILE A 30 -2.577 17.272 2.741 1.00 23.40 H new ATOM 487 N LEU A 31 -4.598 14.891 2.746 1.00 0.15 N ATOM 488 CA LEU A 31 -4.573 13.461 2.460 1.00 62.04 C ATOM 489 C LEU A 31 -3.139 12.958 2.325 1.00 32.45 C ATOM 490 O LEU A 31 -2.216 13.736 2.085 1.00 43.10 O ATOM 491 CB LEU A 31 -5.352 13.164 1.177 1.00 43.30 C ATOM 492 CG LEU A 31 -5.616 14.359 0.260 1.00 1.45 C ATOM 493 CD1 LEU A 31 -5.762 13.903 -1.183 1.00 13.22 C ATOM 494 CD2 LEU A 31 -6.858 15.113 0.712 1.00 12.40 C ATOM 0 H LEU A 31 -4.006 15.454 2.135 1.00 0.15 H new ATOM 0 HA LEU A 31 -5.045 12.940 3.293 1.00 62.04 H new ATOM 0 HB2 LEU A 31 -4.805 12.410 0.610 1.00 43.30 H new ATOM 0 HB3 LEU A 31 -6.310 12.723 1.451 1.00 43.30 H new ATOM 0 HG LEU A 31 -4.763 15.035 0.320 1.00 1.45 H new ATOM 0 HD11 LEU A 31 -5.949 14.767 -1.820 1.00 13.22 H new ATOM 0 HD12 LEU A 31 -4.845 13.408 -1.503 1.00 13.22 H new ATOM 0 HD13 LEU A 31 -6.597 13.206 -1.262 1.00 13.22 H new ATOM 0 HD21 LEU A 31 -7.031 15.960 0.048 1.00 12.40 H new ATOM 0 HD22 LEU A 31 -7.720 14.446 0.681 1.00 12.40 H new ATOM 0 HD23 LEU A 31 -6.714 15.473 1.731 1.00 12.40 H new ATOM 506 N THR A 32 -2.960 11.649 2.481 1.00 43.55 N ATOM 507 CA THR A 32 -1.639 11.042 2.376 1.00 73.52 C ATOM 508 C THR A 32 -1.427 10.422 0.999 1.00 30.44 C ATOM 509 O THR A 32 -2.079 9.439 0.642 1.00 1.43 O ATOM 510 CB THR A 32 -1.433 9.959 3.452 1.00 65.45 C ATOM 511 OG1 THR A 32 -2.051 10.362 4.678 1.00 35.01 O ATOM 512 CG2 THR A 32 0.049 9.704 3.685 1.00 71.40 C ATOM 0 H THR A 32 -3.713 10.990 2.680 1.00 43.55 H new ATOM 0 HA THR A 32 -0.911 11.839 2.528 1.00 73.52 H new ATOM 0 HB THR A 32 -1.894 9.036 3.100 1.00 65.45 H new ATOM 0 HG1 THR A 32 -1.917 9.667 5.356 1.00 35.01 H new ATOM 0 HG21 THR A 32 0.170 8.936 4.449 1.00 71.40 H new ATOM 0 HG22 THR A 32 0.511 9.369 2.756 1.00 71.40 H new ATOM 0 HG23 THR A 32 0.529 10.625 4.017 1.00 71.40 H new ATOM 520 N LEU A 33 -0.511 11.000 0.230 1.00 34.02 N ATOM 521 CA LEU A 33 -0.212 10.503 -1.108 1.00 52.24 C ATOM 522 C LEU A 33 0.409 9.112 -1.047 1.00 25.35 C ATOM 523 O LEU A 33 1.186 8.807 -0.141 1.00 23.35 O ATOM 524 CB LEU A 33 0.733 11.465 -1.831 1.00 72.32 C ATOM 525 CG LEU A 33 0.067 12.581 -2.636 1.00 43.52 C ATOM 526 CD1 LEU A 33 -0.546 12.027 -3.912 1.00 75.32 C ATOM 527 CD2 LEU A 33 -0.988 13.287 -1.797 1.00 52.35 C ATOM 0 H LEU A 33 0.037 11.813 0.510 1.00 34.02 H new ATOM 0 HA LEU A 33 -1.148 10.438 -1.662 1.00 52.24 H new ATOM 0 HB2 LEU A 33 1.391 11.921 -1.091 1.00 72.32 H new ATOM 0 HB3 LEU A 33 1.364 10.885 -2.505 1.00 72.32 H new ATOM 0 HG LEU A 33 0.830 13.309 -2.911 1.00 43.52 H new ATOM 0 HD11 LEU A 33 -1.015 12.836 -4.471 1.00 75.32 H new ATOM 0 HD12 LEU A 33 0.233 11.569 -4.521 1.00 75.32 H new ATOM 0 HD13 LEU A 33 -1.296 11.278 -3.660 1.00 75.32 H new ATOM 0 HD21 LEU A 33 -1.452 14.078 -2.386 1.00 52.35 H new ATOM 0 HD22 LEU A 33 -1.749 12.569 -1.490 1.00 52.35 H new ATOM 0 HD23 LEU A 33 -0.520 13.720 -0.913 1.00 52.35 H new ATOM 539 N LEU A 34 0.065 8.272 -2.016 1.00 74.22 N ATOM 540 CA LEU A 34 0.591 6.912 -2.074 1.00 15.31 C ATOM 541 C LEU A 34 1.404 6.697 -3.346 1.00 70.30 C ATOM 542 O LEU A 34 2.596 6.399 -3.289 1.00 62.01 O ATOM 543 CB LEU A 34 -0.553 5.899 -2.008 1.00 73.33 C ATOM 544 CG LEU A 34 -0.797 5.249 -0.646 1.00 14.54 C ATOM 545 CD1 LEU A 34 -2.281 5.248 -0.313 1.00 54.12 C ATOM 546 CD2 LEU A 34 -0.243 3.833 -0.623 1.00 24.33 C ATOM 0 H LEU A 34 -0.576 8.508 -2.773 1.00 74.22 H new ATOM 0 HA LEU A 34 1.248 6.765 -1.216 1.00 15.31 H new ATOM 0 HB2 LEU A 34 -1.471 6.397 -2.320 1.00 73.33 H new ATOM 0 HB3 LEU A 34 -0.356 5.110 -2.734 1.00 73.33 H new ATOM 0 HG LEU A 34 -0.276 5.834 0.112 1.00 14.54 H new ATOM 0 HD11 LEU A 34 -2.435 4.781 0.660 1.00 54.12 H new ATOM 0 HD12 LEU A 34 -2.648 6.274 -0.286 1.00 54.12 H new ATOM 0 HD13 LEU A 34 -2.824 4.688 -1.074 1.00 54.12 H new ATOM 0 HD21 LEU A 34 -0.426 3.387 0.354 1.00 24.33 H new ATOM 0 HD22 LEU A 34 -0.735 3.237 -1.392 1.00 24.33 H new ATOM 0 HD23 LEU A 34 0.830 3.859 -0.815 1.00 24.33 H new ATOM 558 N ASN A 35 0.751 6.851 -4.493 1.00 52.22 N ATOM 559 CA ASN A 35 1.414 6.675 -5.780 1.00 60.11 C ATOM 560 C ASN A 35 2.054 7.979 -6.245 1.00 45.31 C ATOM 561 O ASN A 35 3.279 8.105 -6.276 1.00 15.42 O ATOM 562 CB ASN A 35 0.415 6.182 -6.829 1.00 21.11 C ATOM 563 CG ASN A 35 1.054 5.990 -8.191 1.00 21.13 C ATOM 564 OD1 ASN A 35 0.485 6.369 -9.215 1.00 21.53 O ATOM 565 ND2 ASN A 35 2.243 5.399 -8.208 1.00 62.21 N ATOM 0 H ASN A 35 -0.237 7.097 -4.558 1.00 52.22 H new ATOM 0 HA ASN A 35 2.199 5.929 -5.657 1.00 60.11 H new ATOM 0 HB2 ASN A 35 -0.019 5.238 -6.498 1.00 21.11 H new ATOM 0 HB3 ASN A 35 -0.403 6.897 -6.912 1.00 21.11 H new ATOM 0 HD21 ASN A 35 2.722 5.243 -9.095 1.00 62.21 H new ATOM 0 HD22 ASN A 35 2.677 5.101 -7.334 1.00 62.21 H new ATOM 572 N SER A 36 1.218 8.947 -6.606 1.00 10.22 N ATOM 573 CA SER A 36 1.702 10.241 -7.072 1.00 51.24 C ATOM 574 C SER A 36 2.417 10.103 -8.413 1.00 30.41 C ATOM 575 O SER A 36 3.166 10.989 -8.826 1.00 21.33 O ATOM 576 CB SER A 36 2.646 10.859 -6.039 1.00 41.13 C ATOM 577 OG SER A 36 2.047 11.975 -5.404 1.00 10.02 O ATOM 0 H SER A 36 0.202 8.860 -6.585 1.00 10.22 H new ATOM 0 HA SER A 36 0.841 10.896 -7.205 1.00 51.24 H new ATOM 0 HB2 SER A 36 2.912 10.111 -5.292 1.00 41.13 H new ATOM 0 HB3 SER A 36 3.571 11.167 -6.526 1.00 41.13 H new ATOM 0 HG SER A 36 2.670 12.351 -4.747 1.00 10.02 H new ATOM 583 N THR A 37 2.180 8.983 -9.090 1.00 4.02 N ATOM 584 CA THR A 37 2.802 8.726 -10.383 1.00 34.01 C ATOM 585 C THR A 37 1.843 9.042 -11.526 1.00 24.43 C ATOM 586 O THR A 37 2.262 9.477 -12.597 1.00 45.21 O ATOM 587 CB THR A 37 3.262 7.261 -10.504 1.00 32.03 C ATOM 588 OG1 THR A 37 4.156 6.938 -9.433 1.00 12.34 O ATOM 589 CG2 THR A 37 3.952 7.019 -11.838 1.00 22.15 C ATOM 0 H THR A 37 1.562 8.240 -8.764 1.00 4.02 H new ATOM 0 HA THR A 37 3.672 9.379 -10.451 1.00 34.01 H new ATOM 0 HB THR A 37 2.382 6.621 -10.447 1.00 32.03 H new ATOM 0 HG1 THR A 37 4.566 6.064 -9.601 1.00 12.34 H new ATOM 0 HG21 THR A 37 4.268 5.978 -11.901 1.00 22.15 H new ATOM 0 HG22 THR A 37 3.259 7.237 -12.651 1.00 22.15 H new ATOM 0 HG23 THR A 37 4.824 7.668 -11.920 1.00 22.15 H new ATOM 597 N ASN A 38 0.554 8.819 -11.289 1.00 44.44 N ATOM 598 CA ASN A 38 -0.464 9.081 -12.300 1.00 60.21 C ATOM 599 C ASN A 38 -1.111 10.445 -12.081 1.00 4.13 C ATOM 600 O ASN A 38 -2.004 10.595 -11.246 1.00 64.44 O ATOM 601 CB ASN A 38 -1.533 7.987 -12.272 1.00 31.44 C ATOM 602 CG ASN A 38 -2.703 8.297 -13.185 1.00 50.51 C ATOM 603 OD1 ASN A 38 -3.863 8.188 -12.786 1.00 65.33 O ATOM 604 ND2 ASN A 38 -2.403 8.688 -14.418 1.00 70.34 N ATOM 0 H ASN A 38 0.190 8.458 -10.407 1.00 44.44 H new ATOM 0 HA ASN A 38 0.021 9.082 -13.276 1.00 60.21 H new ATOM 0 HB2 ASN A 38 -1.086 7.038 -12.569 1.00 31.44 H new ATOM 0 HB3 ASN A 38 -1.895 7.863 -11.251 1.00 31.44 H new ATOM 0 HD21 ASN A 38 -3.148 8.912 -15.077 1.00 70.34 H new ATOM 0 HD22 ASN A 38 -1.427 8.764 -14.706 1.00 70.34 H new ATOM 611 N LYS A 39 -0.654 11.438 -12.836 1.00 10.41 N ATOM 612 CA LYS A 39 -1.188 12.791 -12.727 1.00 20.20 C ATOM 613 C LYS A 39 -2.713 12.776 -12.740 1.00 12.23 C ATOM 614 O LYS A 39 -3.356 13.377 -11.879 1.00 13.11 O ATOM 615 CB LYS A 39 -0.666 13.661 -13.872 1.00 51.15 C ATOM 616 CG LYS A 39 -1.332 15.024 -13.953 1.00 60.21 C ATOM 617 CD LYS A 39 -0.824 15.823 -15.141 1.00 4.50 C ATOM 618 CE LYS A 39 -0.509 17.260 -14.752 1.00 64.22 C ATOM 619 NZ LYS A 39 -0.270 18.118 -15.946 1.00 24.23 N ATOM 0 H LYS A 39 0.085 11.332 -13.531 1.00 10.41 H new ATOM 0 HA LYS A 39 -0.854 13.212 -11.778 1.00 20.20 H new ATOM 0 HB2 LYS A 39 0.409 13.798 -13.752 1.00 51.15 H new ATOM 0 HB3 LYS A 39 -0.818 13.135 -14.815 1.00 51.15 H new ATOM 0 HG2 LYS A 39 -2.412 14.898 -14.033 1.00 60.21 H new ATOM 0 HG3 LYS A 39 -1.143 15.578 -13.033 1.00 60.21 H new ATOM 0 HD2 LYS A 39 0.071 15.349 -15.544 1.00 4.50 H new ATOM 0 HD3 LYS A 39 -1.573 15.815 -15.933 1.00 4.50 H new ATOM 0 HE2 LYS A 39 -1.336 17.669 -14.171 1.00 64.22 H new ATOM 0 HE3 LYS A 39 0.372 17.278 -14.110 1.00 64.22 H new ATOM 0 HZ1 LYS A 39 -0.059 19.089 -15.639 1.00 24.23 H new ATOM 0 HZ2 LYS A 39 0.535 17.743 -16.487 1.00 24.23 H new ATOM 0 HZ3 LYS A 39 -1.119 18.122 -16.546 1.00 24.23 H new ATOM 633 N ASP A 40 -3.285 12.086 -13.720 1.00 34.33 N ATOM 634 CA ASP A 40 -4.735 11.991 -13.843 1.00 34.24 C ATOM 635 C ASP A 40 -5.370 11.607 -12.509 1.00 62.15 C ATOM 636 O ASP A 40 -6.343 12.222 -12.075 1.00 35.25 O ATOM 637 CB ASP A 40 -5.112 10.967 -14.914 1.00 61.35 C ATOM 638 CG ASP A 40 -6.612 10.799 -15.053 1.00 72.13 C ATOM 639 OD1 ASP A 40 -7.356 11.666 -14.548 1.00 42.24 O ATOM 640 OD2 ASP A 40 -7.043 9.801 -15.668 1.00 23.23 O ATOM 0 H ASP A 40 -2.767 11.584 -14.441 1.00 34.33 H new ATOM 0 HA ASP A 40 -5.114 12.970 -14.138 1.00 34.24 H new ATOM 0 HB2 ASP A 40 -4.694 11.277 -15.872 1.00 61.35 H new ATOM 0 HB3 ASP A 40 -4.663 10.005 -14.667 1.00 61.35 H new ATOM 645 N TRP A 41 -4.812 10.587 -11.867 1.00 74.12 N ATOM 646 CA TRP A 41 -5.325 10.120 -10.584 1.00 3.22 C ATOM 647 C TRP A 41 -4.183 9.763 -9.639 1.00 65.43 C ATOM 648 O TRP A 41 -3.397 8.856 -9.916 1.00 40.23 O ATOM 649 CB TRP A 41 -6.235 8.908 -10.785 1.00 71.32 C ATOM 650 CG TRP A 41 -7.595 9.266 -11.305 1.00 24.52 C ATOM 651 CD1 TRP A 41 -7.991 9.295 -12.611 1.00 41.44 C ATOM 652 CD2 TRP A 41 -8.736 9.646 -10.529 1.00 1.04 C ATOM 653 NE1 TRP A 41 -9.310 9.672 -12.694 1.00 61.42 N ATOM 654 CE2 TRP A 41 -9.790 9.892 -11.430 1.00 61.53 C ATOM 655 CE3 TRP A 41 -8.971 9.801 -9.160 1.00 3.22 C ATOM 656 CZ2 TRP A 41 -11.056 10.284 -11.005 1.00 53.43 C ATOM 657 CZ3 TRP A 41 -10.228 10.191 -8.740 1.00 0.53 C ATOM 658 CH2 TRP A 41 -11.258 10.429 -9.660 1.00 30.24 C ATOM 0 H TRP A 41 -4.005 10.068 -12.213 1.00 74.12 H new ATOM 0 HA TRP A 41 -5.903 10.928 -10.136 1.00 3.22 H new ATOM 0 HB2 TRP A 41 -5.759 8.216 -11.480 1.00 71.32 H new ATOM 0 HB3 TRP A 41 -6.343 8.383 -9.836 1.00 71.32 H new ATOM 0 HD1 TRP A 41 -7.361 9.057 -13.455 1.00 41.44 H new ATOM 0 HE1 TRP A 41 -9.845 9.772 -13.557 1.00 61.42 H new ATOM 0 HE3 TRP A 41 -8.184 9.619 -8.443 1.00 3.22 H new ATOM 0 HZ2 TRP A 41 -11.851 10.467 -11.713 1.00 53.43 H new ATOM 0 HZ3 TRP A 41 -10.420 10.315 -7.684 1.00 0.53 H new ATOM 0 HH2 TRP A 41 -12.230 10.733 -9.300 1.00 30.24 H new ATOM 669 N TRP A 42 -4.096 10.479 -8.524 1.00 54.14 N ATOM 670 CA TRP A 42 -3.049 10.236 -7.539 1.00 31.12 C ATOM 671 C TRP A 42 -3.566 9.366 -6.398 1.00 72.15 C ATOM 672 O TRP A 42 -4.356 9.817 -5.568 1.00 45.23 O ATOM 673 CB TRP A 42 -2.522 11.561 -6.987 1.00 0.40 C ATOM 674 CG TRP A 42 -1.587 12.265 -7.924 1.00 13.13 C ATOM 675 CD1 TRP A 42 -0.806 11.692 -8.886 1.00 60.11 C ATOM 676 CD2 TRP A 42 -1.335 13.673 -7.985 1.00 51.14 C ATOM 677 NE1 TRP A 42 -0.083 12.659 -9.542 1.00 72.13 N ATOM 678 CE2 TRP A 42 -0.390 13.883 -9.009 1.00 75.32 C ATOM 679 CE3 TRP A 42 -1.817 14.777 -7.277 1.00 43.32 C ATOM 680 CZ2 TRP A 42 0.081 15.151 -9.339 1.00 34.32 C ATOM 681 CZ3 TRP A 42 -1.348 16.035 -7.605 1.00 41.23 C ATOM 682 CH2 TRP A 42 -0.408 16.214 -8.629 1.00 62.20 C ATOM 0 H TRP A 42 -4.738 11.233 -8.279 1.00 54.14 H new ATOM 0 HA TRP A 42 -2.235 9.707 -8.034 1.00 31.12 H new ATOM 0 HB2 TRP A 42 -3.365 12.216 -6.767 1.00 0.40 H new ATOM 0 HB3 TRP A 42 -2.008 11.375 -6.044 1.00 0.40 H new ATOM 0 HD1 TRP A 42 -0.763 10.634 -9.100 1.00 60.11 H new ATOM 0 HE1 TRP A 42 0.576 12.492 -10.303 1.00 72.13 H new ATOM 0 HE3 TRP A 42 -2.543 14.650 -6.488 1.00 43.32 H new ATOM 0 HZ2 TRP A 42 0.806 15.291 -10.127 1.00 34.32 H new ATOM 0 HZ3 TRP A 42 -1.712 16.895 -7.063 1.00 41.23 H new ATOM 0 HH2 TRP A 42 -0.063 17.210 -8.862 1.00 62.20 H new ATOM 693 N LYS A 43 -3.117 8.116 -6.363 1.00 4.12 N ATOM 694 CA LYS A 43 -3.532 7.182 -5.323 1.00 54.30 C ATOM 695 C LYS A 43 -3.151 7.702 -3.941 1.00 24.13 C ATOM 696 O LYS A 43 -1.999 8.062 -3.698 1.00 44.23 O ATOM 697 CB LYS A 43 -2.897 5.810 -5.557 1.00 43.12 C ATOM 698 CG LYS A 43 -3.228 4.794 -4.478 1.00 73.01 C ATOM 699 CD LYS A 43 -2.050 3.877 -4.195 1.00 33.21 C ATOM 700 CE LYS A 43 -2.261 2.497 -4.799 1.00 23.20 C ATOM 701 NZ LYS A 43 -1.551 2.347 -6.100 1.00 31.45 N ATOM 0 H LYS A 43 -2.465 7.726 -7.044 1.00 4.12 H new ATOM 0 HA LYS A 43 -4.617 7.085 -5.369 1.00 54.30 H new ATOM 0 HB2 LYS A 43 -3.229 5.425 -6.521 1.00 43.12 H new ATOM 0 HB3 LYS A 43 -1.815 5.925 -5.616 1.00 43.12 H new ATOM 0 HG2 LYS A 43 -3.514 5.313 -3.563 1.00 73.01 H new ATOM 0 HG3 LYS A 43 -4.087 4.199 -4.788 1.00 73.01 H new ATOM 0 HD2 LYS A 43 -1.139 4.317 -4.600 1.00 33.21 H new ATOM 0 HD3 LYS A 43 -1.908 3.786 -3.118 1.00 33.21 H new ATOM 0 HE2 LYS A 43 -1.907 1.737 -4.102 1.00 23.20 H new ATOM 0 HE3 LYS A 43 -3.327 2.323 -4.945 1.00 23.20 H new ATOM 0 HZ1 LYS A 43 -1.719 1.393 -6.479 1.00 31.45 H new ATOM 0 HZ2 LYS A 43 -1.907 3.055 -6.773 1.00 31.45 H new ATOM 0 HZ3 LYS A 43 -0.531 2.487 -5.957 1.00 31.45 H new ATOM 715 N VAL A 44 -4.124 7.737 -3.037 1.00 35.34 N ATOM 716 CA VAL A 44 -3.890 8.210 -1.678 1.00 25.44 C ATOM 717 C VAL A 44 -4.708 7.412 -0.669 1.00 22.52 C ATOM 718 O VAL A 44 -5.609 6.661 -1.041 1.00 61.04 O ATOM 719 CB VAL A 44 -4.236 9.704 -1.536 1.00 24.34 C ATOM 720 CG1 VAL A 44 -3.525 10.521 -2.604 1.00 71.50 C ATOM 721 CG2 VAL A 44 -5.741 9.911 -1.608 1.00 20.32 C ATOM 0 H VAL A 44 -5.083 7.443 -3.221 1.00 35.34 H new ATOM 0 HA VAL A 44 -2.829 8.069 -1.473 1.00 25.44 H new ATOM 0 HB VAL A 44 -3.891 10.048 -0.561 1.00 24.34 H new ATOM 0 HG11 VAL A 44 -3.782 11.574 -2.488 1.00 71.50 H new ATOM 0 HG12 VAL A 44 -2.447 10.397 -2.500 1.00 71.50 H new ATOM 0 HG13 VAL A 44 -3.836 10.179 -3.591 1.00 71.50 H new ATOM 0 HG21 VAL A 44 -5.968 10.972 -1.506 1.00 20.32 H new ATOM 0 HG22 VAL A 44 -6.112 9.551 -2.568 1.00 20.32 H new ATOM 0 HG23 VAL A 44 -6.223 9.358 -0.802 1.00 20.32 H new ATOM 731 N GLU A 45 -4.387 7.580 0.610 1.00 35.24 N ATOM 732 CA GLU A 45 -5.094 6.874 1.673 1.00 4.12 C ATOM 733 C GLU A 45 -5.757 7.858 2.633 1.00 44.33 C ATOM 734 O GLU A 45 -5.123 8.800 3.110 1.00 21.53 O ATOM 735 CB GLU A 45 -4.130 5.967 2.441 1.00 20.11 C ATOM 736 CG GLU A 45 -4.701 5.439 3.746 1.00 20.44 C ATOM 737 CD GLU A 45 -3.931 4.246 4.280 1.00 41.22 C ATOM 738 OE1 GLU A 45 -2.782 4.037 3.837 1.00 20.41 O ATOM 739 OE2 GLU A 45 -4.476 3.523 5.139 1.00 35.00 O ATOM 0 H GLU A 45 -3.643 8.198 0.935 1.00 35.24 H new ATOM 0 HA GLU A 45 -5.870 6.262 1.214 1.00 4.12 H new ATOM 0 HB2 GLU A 45 -3.855 5.124 1.807 1.00 20.11 H new ATOM 0 HB3 GLU A 45 -3.214 6.520 2.652 1.00 20.11 H new ATOM 0 HG2 GLU A 45 -4.692 6.235 4.490 1.00 20.44 H new ATOM 0 HG3 GLU A 45 -5.743 5.156 3.594 1.00 20.44 H new ATOM 746 N VAL A 46 -7.037 7.634 2.910 1.00 31.20 N ATOM 747 CA VAL A 46 -7.787 8.499 3.812 1.00 10.43 C ATOM 748 C VAL A 46 -8.789 7.698 4.636 1.00 3.33 C ATOM 749 O VAL A 46 -9.573 6.921 4.094 1.00 10.00 O ATOM 750 CB VAL A 46 -8.538 9.600 3.039 1.00 32.34 C ATOM 751 CG1 VAL A 46 -7.575 10.685 2.584 1.00 63.04 C ATOM 752 CG2 VAL A 46 -9.283 9.004 1.854 1.00 4.11 C ATOM 0 H VAL A 46 -7.577 6.860 2.522 1.00 31.20 H new ATOM 0 HA VAL A 46 -7.062 8.964 4.480 1.00 10.43 H new ATOM 0 HB VAL A 46 -9.269 10.055 3.707 1.00 32.34 H new ATOM 0 HG11 VAL A 46 -8.124 11.454 2.040 1.00 63.04 H new ATOM 0 HG12 VAL A 46 -7.092 11.131 3.454 1.00 63.04 H new ATOM 0 HG13 VAL A 46 -6.818 10.249 1.932 1.00 63.04 H new ATOM 0 HG21 VAL A 46 -9.808 9.795 1.319 1.00 4.11 H new ATOM 0 HG22 VAL A 46 -8.572 8.522 1.183 1.00 4.11 H new ATOM 0 HG23 VAL A 46 -10.003 8.267 2.210 1.00 4.11 H new ATOM 762 N ASN A 47 -8.756 7.894 5.951 1.00 55.05 N ATOM 763 CA ASN A 47 -9.662 7.189 6.851 1.00 51.33 C ATOM 764 C ASN A 47 -9.848 5.741 6.410 1.00 35.53 C ATOM 765 O ASN A 47 -10.913 5.362 5.921 1.00 21.32 O ATOM 766 CB ASN A 47 -11.018 7.897 6.901 1.00 4.20 C ATOM 767 CG ASN A 47 -11.432 8.450 5.551 1.00 61.42 C ATOM 768 OD1 ASN A 47 -12.050 7.607 4.731 1.00 51.05 O flip ATOM 769 ND2 ASN A 47 -11.199 9.620 5.249 1.00 21.14 N flip ATOM 0 H ASN A 47 -8.113 8.534 6.416 1.00 55.05 H new ATOM 0 HA ASN A 47 -9.221 7.193 7.848 1.00 51.33 H new ATOM 0 HB2 ASN A 47 -11.777 7.198 7.252 1.00 4.20 H new ATOM 0 HB3 ASN A 47 -10.974 8.710 7.626 1.00 4.20 H new ATOM 0 HD21 ASN A 47 -10.722 10.232 5.911 1.00 21.14 H new ATOM 0 HD22 ASN A 47 -11.483 9.978 4.337 1.00 21.14 H new ATOM 776 N ASP A 48 -8.807 4.935 6.588 1.00 41.51 N ATOM 777 CA ASP A 48 -8.856 3.528 6.211 1.00 64.42 C ATOM 778 C ASP A 48 -9.586 3.345 4.884 1.00 41.51 C ATOM 779 O ASP A 48 -10.315 2.372 4.694 1.00 62.31 O ATOM 780 CB ASP A 48 -9.545 2.709 7.303 1.00 21.52 C ATOM 781 CG ASP A 48 -8.844 1.391 7.568 1.00 71.52 C ATOM 782 OD1 ASP A 48 -9.542 0.362 7.696 1.00 3.54 O ATOM 783 OD2 ASP A 48 -7.598 1.387 7.645 1.00 21.23 O ATOM 0 H ASP A 48 -7.919 5.233 6.991 1.00 41.51 H new ATOM 0 HA ASP A 48 -7.832 3.174 6.093 1.00 64.42 H new ATOM 0 HB2 ASP A 48 -9.578 3.291 8.224 1.00 21.52 H new ATOM 0 HB3 ASP A 48 -10.577 2.516 7.011 1.00 21.52 H new ATOM 788 N ARG A 49 -9.386 4.289 3.970 1.00 41.22 N ATOM 789 CA ARG A 49 -10.027 4.234 2.662 1.00 71.03 C ATOM 790 C ARG A 49 -9.130 4.848 1.590 1.00 35.43 C ATOM 791 O ARG A 49 -9.233 6.036 1.289 1.00 3.40 O ATOM 792 CB ARG A 49 -11.371 4.965 2.697 1.00 24.33 C ATOM 793 CG ARG A 49 -12.571 4.036 2.617 1.00 53.22 C ATOM 794 CD ARG A 49 -12.732 3.453 1.221 1.00 10.35 C ATOM 795 NE ARG A 49 -14.068 3.689 0.680 1.00 1.13 N ATOM 796 CZ ARG A 49 -14.440 4.831 0.112 1.00 24.21 C ATOM 797 NH1 ARG A 49 -13.580 5.835 0.011 1.00 52.42 N ATOM 798 NH2 ARG A 49 -15.673 4.969 -0.357 1.00 11.11 N ATOM 0 H ARG A 49 -8.785 5.101 4.111 1.00 41.22 H new ATOM 0 HA ARG A 49 -10.197 3.187 2.413 1.00 71.03 H new ATOM 0 HB2 ARG A 49 -11.434 5.548 3.616 1.00 24.33 H new ATOM 0 HB3 ARG A 49 -11.413 5.671 1.868 1.00 24.33 H new ATOM 0 HG2 ARG A 49 -12.456 3.228 3.339 1.00 53.22 H new ATOM 0 HG3 ARG A 49 -13.474 4.582 2.891 1.00 53.22 H new ATOM 0 HD2 ARG A 49 -11.989 3.893 0.556 1.00 10.35 H new ATOM 0 HD3 ARG A 49 -12.537 2.381 1.251 1.00 10.35 H new ATOM 0 HE ARG A 49 -14.753 2.936 0.742 1.00 1.13 H new ATOM 0 HH11 ARG A 49 -12.631 5.731 0.370 1.00 52.42 H new ATOM 0 HH12 ARG A 49 -13.868 6.711 -0.425 1.00 52.42 H new ATOM 0 HH21 ARG A 49 -16.337 4.198 -0.282 1.00 11.11 H new ATOM 0 HH22 ARG A 49 -15.958 5.846 -0.793 1.00 11.11 H new ATOM 812 N GLN A 50 -8.253 4.028 1.020 1.00 2.41 N ATOM 813 CA GLN A 50 -7.338 4.492 -0.016 1.00 62.44 C ATOM 814 C GLN A 50 -7.863 4.139 -1.404 1.00 35.21 C ATOM 815 O GLN A 50 -8.637 3.196 -1.564 1.00 73.13 O ATOM 816 CB GLN A 50 -5.951 3.879 0.187 1.00 1.54 C ATOM 817 CG GLN A 50 -5.880 2.402 -0.164 1.00 13.11 C ATOM 818 CD GLN A 50 -4.738 2.081 -1.108 1.00 34.42 C ATOM 819 OE1 GLN A 50 -3.539 2.535 -0.763 1.00 24.34 O flip ATOM 820 NE2 GLN A 50 -4.932 1.431 -2.136 1.00 53.43 N flip ATOM 0 H GLN A 50 -8.157 3.041 1.258 1.00 2.41 H new ATOM 0 HA GLN A 50 -7.264 5.577 0.060 1.00 62.44 H new ATOM 0 HB2 GLN A 50 -5.230 4.424 -0.422 1.00 1.54 H new ATOM 0 HB3 GLN A 50 -5.653 4.011 1.227 1.00 1.54 H new ATOM 0 HG2 GLN A 50 -5.765 1.820 0.751 1.00 13.11 H new ATOM 0 HG3 GLN A 50 -6.821 2.095 -0.621 1.00 13.11 H new ATOM 0 HE21 GLN A 50 -5.871 1.102 -2.362 1.00 53.43 H new ATOM 0 HE22 GLN A 50 -4.154 1.222 -2.762 1.00 53.43 H new ATOM 829 N GLY A 51 -7.438 4.903 -2.405 1.00 4.40 N ATOM 830 CA GLY A 51 -7.876 4.656 -3.766 1.00 32.30 C ATOM 831 C GLY A 51 -7.179 5.550 -4.772 1.00 1.23 C ATOM 832 O GLY A 51 -5.987 5.389 -5.035 1.00 51.21 O ATOM 0 H GLY A 51 -6.797 5.689 -2.298 1.00 4.40 H new ATOM 0 HA2 GLY A 51 -7.689 3.613 -4.021 1.00 32.30 H new ATOM 0 HA3 GLY A 51 -8.953 4.812 -3.831 1.00 32.30 H new ATOM 836 N PHE A 52 -7.923 6.495 -5.337 1.00 11.13 N ATOM 837 CA PHE A 52 -7.370 7.417 -6.322 1.00 3.14 C ATOM 838 C PHE A 52 -7.954 8.816 -6.146 1.00 23.25 C ATOM 839 O PHE A 52 -9.171 8.999 -6.157 1.00 31.45 O ATOM 840 CB PHE A 52 -7.648 6.911 -7.738 1.00 61.34 C ATOM 841 CG PHE A 52 -6.665 5.877 -8.209 1.00 73.12 C ATOM 842 CD1 PHE A 52 -5.347 6.219 -8.461 1.00 45.31 C ATOM 843 CD2 PHE A 52 -7.061 4.563 -8.400 1.00 64.34 C ATOM 844 CE1 PHE A 52 -4.440 5.270 -8.894 1.00 44.30 C ATOM 845 CE2 PHE A 52 -6.158 3.609 -8.833 1.00 11.43 C ATOM 846 CZ PHE A 52 -4.846 3.964 -9.081 1.00 74.20 C ATOM 0 H PHE A 52 -8.911 6.642 -5.130 1.00 11.13 H new ATOM 0 HA PHE A 52 -6.292 7.470 -6.168 1.00 3.14 H new ATOM 0 HB2 PHE A 52 -8.652 6.489 -7.774 1.00 61.34 H new ATOM 0 HB3 PHE A 52 -7.633 7.756 -8.427 1.00 61.34 H new ATOM 0 HD1 PHE A 52 -5.024 7.239 -8.318 1.00 45.31 H new ATOM 0 HD2 PHE A 52 -8.086 4.281 -8.209 1.00 64.34 H new ATOM 0 HE1 PHE A 52 -3.415 5.550 -9.086 1.00 44.30 H new ATOM 0 HE2 PHE A 52 -6.478 2.588 -8.977 1.00 11.43 H new ATOM 0 HZ PHE A 52 -4.139 3.221 -9.421 1.00 74.20 H new ATOM 856 N VAL A 53 -7.076 9.801 -5.982 1.00 70.25 N ATOM 857 CA VAL A 53 -7.503 11.184 -5.804 1.00 70.54 C ATOM 858 C VAL A 53 -7.185 12.020 -7.038 1.00 41.25 C ATOM 859 O VAL A 53 -6.115 11.906 -7.638 1.00 35.02 O ATOM 860 CB VAL A 53 -6.831 11.825 -4.576 1.00 21.32 C ATOM 861 CG1 VAL A 53 -5.739 12.792 -5.008 1.00 74.20 C ATOM 862 CG2 VAL A 53 -7.865 12.528 -3.709 1.00 70.54 C ATOM 0 H VAL A 53 -6.065 9.667 -5.969 1.00 70.25 H new ATOM 0 HA VAL A 53 -8.582 11.165 -5.650 1.00 70.54 H new ATOM 0 HB VAL A 53 -6.370 11.035 -3.983 1.00 21.32 H new ATOM 0 HG11 VAL A 53 -5.276 13.235 -4.126 1.00 74.20 H new ATOM 0 HG12 VAL A 53 -4.985 12.255 -5.583 1.00 74.20 H new ATOM 0 HG13 VAL A 53 -6.173 13.579 -5.624 1.00 74.20 H new ATOM 0 HG21 VAL A 53 -7.372 12.975 -2.846 1.00 70.54 H new ATOM 0 HG22 VAL A 53 -8.358 13.308 -4.290 1.00 70.54 H new ATOM 0 HG23 VAL A 53 -8.607 11.805 -3.369 1.00 70.54 H new ATOM 872 N PRO A 54 -8.134 12.883 -7.429 1.00 55.20 N ATOM 873 CA PRO A 54 -7.978 13.758 -8.595 1.00 73.42 C ATOM 874 C PRO A 54 -6.941 14.851 -8.365 1.00 11.42 C ATOM 875 O PRO A 54 -7.099 15.694 -7.481 1.00 72.55 O ATOM 876 CB PRO A 54 -9.371 14.369 -8.769 1.00 43.20 C ATOM 877 CG PRO A 54 -9.981 14.313 -7.411 1.00 74.03 C ATOM 878 CD PRO A 54 -9.434 13.072 -6.762 1.00 4.20 C ATOM 0 HA PRO A 54 -7.625 13.212 -9.470 1.00 73.42 H new ATOM 0 HB2 PRO A 54 -9.311 15.394 -9.134 1.00 43.20 H new ATOM 0 HB3 PRO A 54 -9.962 13.807 -9.492 1.00 43.20 H new ATOM 0 HG2 PRO A 54 -9.726 15.201 -6.832 1.00 74.03 H new ATOM 0 HG3 PRO A 54 -11.069 14.274 -7.473 1.00 74.03 H new ATOM 0 HD2 PRO A 54 -9.319 13.199 -5.686 1.00 4.20 H new ATOM 0 HD3 PRO A 54 -10.092 12.216 -6.913 1.00 4.20 H new ATOM 886 N ALA A 55 -5.880 14.833 -9.165 1.00 74.23 N ATOM 887 CA ALA A 55 -4.819 15.825 -9.050 1.00 23.22 C ATOM 888 C ALA A 55 -5.352 17.232 -9.298 1.00 34.51 C ATOM 889 O ALA A 55 -5.207 18.118 -8.457 1.00 34.14 O ATOM 890 CB ALA A 55 -3.691 15.507 -10.021 1.00 75.11 C ATOM 0 H ALA A 55 -5.733 14.142 -9.900 1.00 74.23 H new ATOM 0 HA ALA A 55 -4.430 15.787 -8.033 1.00 23.22 H new ATOM 0 HB1 ALA A 55 -2.905 16.256 -9.924 1.00 75.11 H new ATOM 0 HB2 ALA A 55 -3.283 14.522 -9.795 1.00 75.11 H new ATOM 0 HB3 ALA A 55 -4.076 15.515 -11.041 1.00 75.11 H new ATOM 896 N ALA A 56 -5.969 17.429 -10.458 1.00 55.22 N ATOM 897 CA ALA A 56 -6.526 18.728 -10.816 1.00 42.10 C ATOM 898 C ALA A 56 -7.359 19.302 -9.675 1.00 21.31 C ATOM 899 O ALA A 56 -7.394 20.515 -9.468 1.00 21.11 O ATOM 900 CB ALA A 56 -7.366 18.612 -12.079 1.00 50.52 C ATOM 0 H ALA A 56 -6.096 16.706 -11.166 1.00 55.22 H new ATOM 0 HA ALA A 56 -5.698 19.411 -11.005 1.00 42.10 H new ATOM 0 HB1 ALA A 56 -7.776 19.589 -12.335 1.00 50.52 H new ATOM 0 HB2 ALA A 56 -6.743 18.254 -12.899 1.00 50.52 H new ATOM 0 HB3 ALA A 56 -8.182 17.909 -11.910 1.00 50.52 H new ATOM 906 N TYR A 57 -8.029 18.423 -8.938 1.00 24.31 N ATOM 907 CA TYR A 57 -8.864 18.842 -7.819 1.00 53.52 C ATOM 908 C TYR A 57 -8.097 18.757 -6.504 1.00 3.24 C ATOM 909 O TYR A 57 -8.637 18.334 -5.482 1.00 34.51 O ATOM 910 CB TYR A 57 -10.124 17.978 -7.744 1.00 53.44 C ATOM 911 CG TYR A 57 -11.101 18.233 -8.870 1.00 40.12 C ATOM 912 CD1 TYR A 57 -11.461 17.217 -9.747 1.00 21.11 C ATOM 913 CD2 TYR A 57 -11.663 19.490 -9.058 1.00 31.31 C ATOM 914 CE1 TYR A 57 -12.352 17.445 -10.777 1.00 73.14 C ATOM 915 CE2 TYR A 57 -12.556 19.726 -10.085 1.00 13.54 C ATOM 916 CZ TYR A 57 -12.898 18.701 -10.942 1.00 4.12 C ATOM 917 OH TYR A 57 -13.786 18.933 -11.967 1.00 10.33 O ATOM 0 H TYR A 57 -8.010 17.415 -9.096 1.00 24.31 H new ATOM 0 HA TYR A 57 -9.152 19.880 -7.983 1.00 53.52 H new ATOM 0 HB2 TYR A 57 -9.835 16.927 -7.756 1.00 53.44 H new ATOM 0 HB3 TYR A 57 -10.623 18.160 -6.792 1.00 53.44 H new ATOM 0 HD1 TYR A 57 -11.037 16.232 -9.621 1.00 21.11 H new ATOM 0 HD2 TYR A 57 -11.397 20.296 -8.390 1.00 31.31 H new ATOM 0 HE1 TYR A 57 -12.620 16.644 -11.450 1.00 73.14 H new ATOM 0 HE2 TYR A 57 -12.984 20.709 -10.216 1.00 13.54 H new ATOM 0 HH TYR A 57 -14.077 19.868 -11.942 1.00 10.33 H new ATOM 927 N VAL A 58 -6.832 19.164 -6.537 1.00 24.13 N ATOM 928 CA VAL A 58 -5.988 19.136 -5.348 1.00 31.12 C ATOM 929 C VAL A 58 -4.996 20.294 -5.350 1.00 72.43 C ATOM 930 O VAL A 58 -4.854 21.002 -6.347 1.00 62.12 O ATOM 931 CB VAL A 58 -5.212 17.810 -5.241 1.00 72.31 C ATOM 932 CG1 VAL A 58 -3.801 17.971 -5.786 1.00 12.02 C ATOM 933 CG2 VAL A 58 -5.184 17.324 -3.800 1.00 22.12 C ATOM 0 H VAL A 58 -6.369 19.517 -7.374 1.00 24.13 H new ATOM 0 HA VAL A 58 -6.651 19.231 -4.488 1.00 31.12 H new ATOM 0 HB VAL A 58 -5.724 17.060 -5.843 1.00 72.31 H new ATOM 0 HG11 VAL A 58 -3.268 17.024 -5.702 1.00 12.02 H new ATOM 0 HG12 VAL A 58 -3.847 18.270 -6.833 1.00 12.02 H new ATOM 0 HG13 VAL A 58 -3.275 18.735 -5.214 1.00 12.02 H new ATOM 0 HG21 VAL A 58 -4.632 16.386 -3.743 1.00 22.12 H new ATOM 0 HG22 VAL A 58 -4.696 18.071 -3.174 1.00 22.12 H new ATOM 0 HG23 VAL A 58 -6.204 17.166 -3.449 1.00 22.12 H new ATOM 943 N LYS A 59 -4.311 20.481 -4.227 1.00 60.24 N ATOM 944 CA LYS A 59 -3.330 21.552 -4.099 1.00 23.53 C ATOM 945 C LYS A 59 -2.289 21.211 -3.037 1.00 10.12 C ATOM 946 O LYS A 59 -2.605 21.114 -1.851 1.00 15.41 O ATOM 947 CB LYS A 59 -4.025 22.868 -3.744 1.00 25.05 C ATOM 948 CG LYS A 59 -4.158 23.822 -4.918 1.00 65.21 C ATOM 949 CD LYS A 59 -2.851 24.544 -5.201 1.00 22.22 C ATOM 950 CE LYS A 59 -3.001 25.544 -6.337 1.00 60.32 C ATOM 951 NZ LYS A 59 -4.121 26.495 -6.095 1.00 3.05 N ATOM 0 H LYS A 59 -4.417 19.905 -3.392 1.00 60.24 H new ATOM 0 HA LYS A 59 -2.823 21.664 -5.057 1.00 23.53 H new ATOM 0 HB2 LYS A 59 -5.018 22.650 -3.350 1.00 25.05 H new ATOM 0 HB3 LYS A 59 -3.467 23.361 -2.948 1.00 25.05 H new ATOM 0 HG2 LYS A 59 -4.468 23.269 -5.804 1.00 65.21 H new ATOM 0 HG3 LYS A 59 -4.940 24.552 -4.708 1.00 65.21 H new ATOM 0 HD2 LYS A 59 -2.518 25.061 -4.301 1.00 22.22 H new ATOM 0 HD3 LYS A 59 -2.080 23.817 -5.455 1.00 22.22 H new ATOM 0 HE2 LYS A 59 -2.071 26.101 -6.456 1.00 60.32 H new ATOM 0 HE3 LYS A 59 -3.174 25.009 -7.271 1.00 60.32 H new ATOM 0 HZ1 LYS A 59 -4.018 27.319 -6.721 1.00 3.05 H new ATOM 0 HZ2 LYS A 59 -5.026 26.022 -6.291 1.00 3.05 H new ATOM 0 HZ3 LYS A 59 -4.102 26.809 -5.104 1.00 3.05 H new ATOM 965 N LYS A 60 -1.046 21.032 -3.470 1.00 23.44 N ATOM 966 CA LYS A 60 0.043 20.705 -2.556 1.00 61.25 C ATOM 967 C LYS A 60 0.293 21.847 -1.577 1.00 1.11 C ATOM 968 O LYS A 60 1.078 22.755 -1.854 1.00 13.42 O ATOM 969 CB LYS A 60 1.322 20.403 -3.342 1.00 14.23 C ATOM 970 CG LYS A 60 2.249 19.424 -2.642 1.00 14.41 C ATOM 971 CD LYS A 60 3.050 20.103 -1.544 1.00 12.23 C ATOM 972 CE LYS A 60 4.525 20.191 -1.903 1.00 62.12 C ATOM 973 NZ LYS A 60 4.866 21.497 -2.533 1.00 31.32 N ATOM 0 H LYS A 60 -0.767 21.108 -4.448 1.00 23.44 H new ATOM 0 HA LYS A 60 -0.245 19.820 -1.988 1.00 61.25 H new ATOM 0 HB2 LYS A 60 1.052 20.000 -4.318 1.00 14.23 H new ATOM 0 HB3 LYS A 60 1.858 21.335 -3.519 1.00 14.23 H new ATOM 0 HG2 LYS A 60 1.664 18.609 -2.216 1.00 14.41 H new ATOM 0 HG3 LYS A 60 2.929 18.982 -3.370 1.00 14.41 H new ATOM 0 HD2 LYS A 60 2.656 21.105 -1.371 1.00 12.23 H new ATOM 0 HD3 LYS A 60 2.934 19.550 -0.612 1.00 12.23 H new ATOM 0 HE2 LYS A 60 5.126 20.053 -1.004 1.00 62.12 H new ATOM 0 HE3 LYS A 60 4.782 19.381 -2.585 1.00 62.12 H new ATOM 0 HZ1 LYS A 60 5.880 21.517 -2.763 1.00 31.32 H new ATOM 0 HZ2 LYS A 60 4.311 21.618 -3.404 1.00 31.32 H new ATOM 0 HZ3 LYS A 60 4.645 22.269 -1.872 1.00 31.32 H new ATOM 987 N LEU A 61 -0.377 21.795 -0.431 1.00 61.11 N ATOM 988 CA LEU A 61 -0.226 22.825 0.591 1.00 71.10 C ATOM 989 C LEU A 61 0.218 22.215 1.917 1.00 40.42 C ATOM 990 O LEU A 61 -0.451 22.372 2.939 1.00 42.25 O ATOM 991 CB LEU A 61 -1.543 23.581 0.780 1.00 64.34 C ATOM 992 CG LEU A 61 -2.247 24.032 -0.500 1.00 62.05 C ATOM 993 CD1 LEU A 61 -3.737 24.212 -0.255 1.00 3.21 C ATOM 994 CD2 LEU A 61 -1.630 25.322 -1.022 1.00 34.12 C ATOM 0 H LEU A 61 -1.030 21.051 -0.186 1.00 61.11 H new ATOM 0 HA LEU A 61 0.542 23.523 0.258 1.00 71.10 H new ATOM 0 HB2 LEU A 61 -2.227 22.945 1.342 1.00 64.34 H new ATOM 0 HB3 LEU A 61 -1.349 24.461 1.394 1.00 64.34 H new ATOM 0 HG LEU A 61 -2.115 23.258 -1.256 1.00 62.05 H new ATOM 0 HD11 LEU A 61 -4.221 24.533 -1.177 1.00 3.21 H new ATOM 0 HD12 LEU A 61 -4.169 23.266 0.071 1.00 3.21 H new ATOM 0 HD13 LEU A 61 -3.890 24.966 0.517 1.00 3.21 H new ATOM 0 HD21 LEU A 61 -2.143 25.628 -1.933 1.00 34.12 H new ATOM 0 HD22 LEU A 61 -1.730 26.104 -0.269 1.00 34.12 H new ATOM 0 HD23 LEU A 61 -0.574 25.159 -1.238 1.00 34.12 H new ATOM 1006 N ASP A 62 1.351 21.522 1.893 1.00 11.01 N ATOM 1007 CA ASP A 62 1.887 20.892 3.094 1.00 33.40 C ATOM 1008 C ASP A 62 0.831 20.021 3.768 1.00 70.43 C ATOM 1009 O ASP A 62 1.090 19.403 4.801 1.00 35.45 O ATOM 1010 CB ASP A 62 2.389 21.954 4.073 1.00 45.14 C ATOM 1011 CG ASP A 62 3.891 22.149 3.995 1.00 71.14 C ATOM 1012 OD1 ASP A 62 4.327 23.242 3.577 1.00 52.41 O ATOM 1013 OD2 ASP A 62 4.630 21.208 4.352 1.00 1.30 O ATOM 0 H ASP A 62 1.916 21.382 1.055 1.00 11.01 H new ATOM 0 HA ASP A 62 2.722 20.257 2.799 1.00 33.40 H new ATOM 0 HB2 ASP A 62 1.891 22.901 3.864 1.00 45.14 H new ATOM 0 HB3 ASP A 62 2.115 21.667 5.088 1.00 45.14 H new TER 1018 ASP A 62