USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 531 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 16 HIS : no HE2:sc= -1.73! C(o=-3.4!,f=-8.5!) USER MOD Set 1.2: A 17 MET CE :methyl 178:sc= -1.67 (180deg=-1.34) USER MOD Set 2.1: A 11 ASN : amide:sc= -0.269 K(o=-0.066,f=-0.61) USER MOD Set 2.2: A 18 SER OG : rot 76:sc= 0.202 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.361 (180deg=-0.383) USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= -0.429 (180deg=-1.42!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 148:sc= -2.26 (180deg=-4.08!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0646 F(o=-1.9,f=-0.065) USER MOD Single : A 28 MET CE :methyl 164:sc= -0.0248 (180deg=-0.106) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.737 F(o=-1.7!,f=-0.74) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 92:sc= 0.385 USER MOD Single : A 46 GLN : amide:sc= -0.768 K(o=-0.77,f=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 1.1 (180deg=1.1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.5) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -112:sc= -0.454 USER MOD Single : A 63 ASN : amide:sc= 0.00692 K(o=0.0069,f=-0.62) USER MOD Single : A 64 SER OG : rot -54:sc= 0.0896 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.727 8.176 26.131 1.00 0.00 N ATOM 2 CA GLY A 1 -9.338 8.448 25.812 1.00 0.00 C ATOM 3 C GLY A 1 -8.413 7.330 26.250 1.00 0.00 C ATOM 4 O GLY A 1 -8.120 6.419 25.476 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.318 8.970 25.812 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.029 7.304 25.651 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.831 8.059 27.159 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.238 8.598 24.737 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.033 9.377 26.293 1.00 0.00 H new ATOM 8 N SER A 2 -7.949 7.400 27.493 1.00 0.00 N ATOM 9 CA SER A 2 -7.046 6.389 28.031 1.00 0.00 C ATOM 10 C SER A 2 -7.814 5.133 28.430 1.00 0.00 C ATOM 11 O SER A 2 -7.320 4.015 28.280 1.00 0.00 O ATOM 12 CB SER A 2 -6.287 6.942 29.238 1.00 0.00 C ATOM 13 OG SER A 2 -7.180 7.327 30.269 1.00 0.00 O ATOM 0 H SER A 2 -8.183 8.147 28.147 1.00 0.00 H new ATOM 0 HA SER A 2 -6.331 6.125 27.252 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.596 6.187 29.614 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.687 7.800 28.933 1.00 0.00 H new ATOM 0 HG SER A 2 -6.670 7.676 31.030 1.00 0.00 H new ATOM 19 N SER A 3 -9.027 5.325 28.940 1.00 0.00 N ATOM 20 CA SER A 3 -9.863 4.209 29.366 1.00 0.00 C ATOM 21 C SER A 3 -10.840 3.811 28.264 1.00 0.00 C ATOM 22 O SER A 3 -11.273 4.646 27.470 1.00 0.00 O ATOM 23 CB SER A 3 -10.632 4.576 30.637 1.00 0.00 C ATOM 24 OG SER A 3 -11.317 3.451 31.161 1.00 0.00 O ATOM 0 H SER A 3 -9.452 6.243 29.068 1.00 0.00 H new ATOM 0 HA SER A 3 -9.213 3.360 29.576 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.941 4.966 31.384 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.345 5.370 30.418 1.00 0.00 H new ATOM 0 HG SER A 3 -11.799 3.711 31.974 1.00 0.00 H new ATOM 30 N GLY A 4 -11.184 2.527 28.221 1.00 0.00 N ATOM 31 CA GLY A 4 -12.107 2.040 27.213 1.00 0.00 C ATOM 32 C GLY A 4 -12.434 0.570 27.389 1.00 0.00 C ATOM 33 O GLY A 4 -13.460 0.221 27.973 1.00 0.00 O ATOM 0 H GLY A 4 -10.840 1.816 28.866 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.028 2.622 27.256 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.677 2.198 26.224 1.00 0.00 H new ATOM 37 N SER A 5 -11.561 -0.294 26.881 1.00 0.00 N ATOM 38 CA SER A 5 -11.765 -1.734 26.980 1.00 0.00 C ATOM 39 C SER A 5 -10.490 -2.490 26.619 1.00 0.00 C ATOM 40 O SER A 5 -9.531 -1.905 26.115 1.00 0.00 O ATOM 41 CB SER A 5 -12.908 -2.173 26.062 1.00 0.00 C ATOM 42 OG SER A 5 -13.517 -3.361 26.539 1.00 0.00 O ATOM 0 H SER A 5 -10.706 -0.022 26.397 1.00 0.00 H new ATOM 0 HA SER A 5 -12.026 -1.968 28.012 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.652 -1.379 25.998 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.527 -2.335 25.054 1.00 0.00 H new ATOM 0 HG SER A 5 -14.245 -3.620 25.936 1.00 0.00 H new ATOM 48 N SER A 6 -10.487 -3.793 26.881 1.00 0.00 N ATOM 49 CA SER A 6 -9.329 -4.629 26.588 1.00 0.00 C ATOM 50 C SER A 6 -9.690 -5.727 25.592 1.00 0.00 C ATOM 51 O SER A 6 -10.840 -6.158 25.515 1.00 0.00 O ATOM 52 CB SER A 6 -8.784 -5.251 27.875 1.00 0.00 C ATOM 53 OG SER A 6 -7.479 -5.769 27.678 1.00 0.00 O ATOM 0 H SER A 6 -11.274 -4.293 27.296 1.00 0.00 H new ATOM 0 HA SER A 6 -8.559 -3.998 26.144 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.765 -4.501 28.666 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.449 -6.048 28.207 1.00 0.00 H new ATOM 0 HG SER A 6 -7.152 -6.159 28.515 1.00 0.00 H new ATOM 59 N GLY A 7 -8.697 -6.176 24.830 1.00 0.00 N ATOM 60 CA GLY A 7 -8.929 -7.220 23.848 1.00 0.00 C ATOM 61 C GLY A 7 -8.810 -6.713 22.425 1.00 0.00 C ATOM 62 O GLY A 7 -9.536 -5.806 22.019 1.00 0.00 O ATOM 0 H GLY A 7 -7.736 -5.836 24.875 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.213 -8.027 24.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.923 -7.642 23.998 1.00 0.00 H new ATOM 66 N SER A 8 -7.891 -7.299 21.664 1.00 0.00 N ATOM 67 CA SER A 8 -7.675 -6.898 20.279 1.00 0.00 C ATOM 68 C SER A 8 -8.809 -7.396 19.387 1.00 0.00 C ATOM 69 O SER A 8 -9.441 -8.418 19.655 1.00 0.00 O ATOM 70 CB SER A 8 -6.337 -7.438 19.772 1.00 0.00 C ATOM 71 OG SER A 8 -5.260 -6.630 20.213 1.00 0.00 O ATOM 0 H SER A 8 -7.284 -8.054 21.984 1.00 0.00 H new ATOM 0 HA SER A 8 -7.656 -5.809 20.240 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.197 -8.460 20.124 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.346 -7.475 18.683 1.00 0.00 H new ATOM 0 HG SER A 8 -4.416 -6.998 19.877 1.00 0.00 H new ATOM 77 N PRO A 9 -9.073 -6.656 18.300 1.00 0.00 N ATOM 78 CA PRO A 9 -10.130 -7.002 17.345 1.00 0.00 C ATOM 79 C PRO A 9 -9.795 -8.250 16.535 1.00 0.00 C ATOM 80 O PRO A 9 -8.891 -8.233 15.699 1.00 0.00 O ATOM 81 CB PRO A 9 -10.199 -5.775 16.432 1.00 0.00 C ATOM 82 CG PRO A 9 -8.845 -5.161 16.520 1.00 0.00 C ATOM 83 CD PRO A 9 -8.360 -5.426 17.918 1.00 0.00 C ATOM 0 HA PRO A 9 -11.071 -7.232 17.845 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.440 -6.057 15.407 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.971 -5.080 16.761 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.170 -5.597 15.784 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.888 -4.091 16.318 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.279 -5.562 17.949 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.597 -4.600 18.589 1.00 0.00 H new ATOM 91 N ILE A 10 -10.528 -9.329 16.789 1.00 0.00 N ATOM 92 CA ILE A 10 -10.308 -10.584 16.082 1.00 0.00 C ATOM 93 C ILE A 10 -10.829 -10.508 14.651 1.00 0.00 C ATOM 94 O ILE A 10 -11.928 -10.011 14.405 1.00 0.00 O ATOM 95 CB ILE A 10 -10.989 -11.763 16.802 1.00 0.00 C ATOM 96 CG1 ILE A 10 -10.520 -11.839 18.256 1.00 0.00 C ATOM 97 CG2 ILE A 10 -10.697 -13.067 16.076 1.00 0.00 C ATOM 98 CD1 ILE A 10 -11.364 -11.019 19.207 1.00 0.00 C ATOM 0 H ILE A 10 -11.279 -9.359 17.479 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.231 -10.752 16.066 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.067 -11.601 16.795 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.531 -12.880 18.579 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -9.486 -11.498 18.314 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.185 -13.891 16.597 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.076 -13.008 15.056 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.621 -13.238 16.054 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.974 -11.120 20.220 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.333 -9.971 18.909 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.394 -11.374 19.178 1.00 0.00 H new ATOM 110 N ASN A 11 -10.034 -11.005 13.709 1.00 0.00 N ATOM 111 CA ASN A 11 -10.416 -10.995 12.302 1.00 0.00 C ATOM 112 C ASN A 11 -10.625 -12.414 11.784 1.00 0.00 C ATOM 113 O ASN A 11 -9.676 -13.143 11.495 1.00 0.00 O ATOM 114 CB ASN A 11 -9.346 -10.288 11.467 1.00 0.00 C ATOM 115 CG ASN A 11 -7.953 -10.472 12.037 1.00 0.00 C ATOM 116 OD1 ASN A 11 -7.364 -11.548 11.931 1.00 0.00 O ATOM 117 ND2 ASN A 11 -7.419 -9.420 12.646 1.00 0.00 N ATOM 0 H ASN A 11 -9.121 -11.420 13.895 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.357 -10.452 12.211 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.372 -10.672 10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.576 -9.224 11.413 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.484 -9.484 13.049 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.943 -8.548 12.711 1.00 0.00 H new ATOM 124 N PRO A 12 -11.899 -12.818 11.664 1.00 0.00 N ATOM 125 CA PRO A 12 -12.263 -14.153 11.179 1.00 0.00 C ATOM 126 C PRO A 12 -11.962 -14.334 9.695 1.00 0.00 C ATOM 127 O PRO A 12 -11.540 -15.406 9.264 1.00 0.00 O ATOM 128 CB PRO A 12 -13.771 -14.222 11.432 1.00 0.00 C ATOM 129 CG PRO A 12 -14.222 -12.803 11.425 1.00 0.00 C ATOM 130 CD PRO A 12 -13.080 -12.003 11.990 1.00 0.00 C ATOM 0 HA PRO A 12 -11.696 -14.938 11.680 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.276 -14.802 10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.991 -14.702 12.385 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.465 -12.476 10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.122 -12.677 12.026 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.022 -11.012 11.539 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.184 -11.858 13.065 1.00 0.00 H new ATOM 138 N TYR A 13 -12.182 -13.278 8.920 1.00 0.00 N ATOM 139 CA TYR A 13 -11.936 -13.321 7.483 1.00 0.00 C ATOM 140 C TYR A 13 -10.841 -12.335 7.088 1.00 0.00 C ATOM 141 O TYR A 13 -10.184 -12.498 6.060 1.00 0.00 O ATOM 142 CB TYR A 13 -13.222 -13.007 6.715 1.00 0.00 C ATOM 143 CG TYR A 13 -13.776 -11.630 7.000 1.00 0.00 C ATOM 144 CD1 TYR A 13 -13.279 -10.510 6.343 1.00 0.00 C ATOM 145 CD2 TYR A 13 -14.796 -11.447 7.925 1.00 0.00 C ATOM 146 CE1 TYR A 13 -13.782 -9.249 6.601 1.00 0.00 C ATOM 147 CE2 TYR A 13 -15.306 -10.191 8.187 1.00 0.00 C ATOM 148 CZ TYR A 13 -14.796 -9.095 7.523 1.00 0.00 C ATOM 149 OH TYR A 13 -15.300 -7.841 7.783 1.00 0.00 O ATOM 0 H TYR A 13 -12.530 -12.382 9.262 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.604 -14.327 7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.028 -13.097 5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.977 -13.752 6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.486 -10.627 5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.197 -12.302 8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.383 -8.389 6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.100 -10.067 8.908 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.010 -7.907 8.456 1.00 0.00 H new ATOM 159 N LYS A 14 -10.650 -11.312 7.913 1.00 0.00 N ATOM 160 CA LYS A 14 -9.633 -10.299 7.654 1.00 0.00 C ATOM 161 C LYS A 14 -8.256 -10.785 8.094 1.00 0.00 C ATOM 162 O LYS A 14 -7.288 -10.024 8.089 1.00 0.00 O ATOM 163 CB LYS A 14 -9.983 -8.998 8.381 1.00 0.00 C ATOM 164 CG LYS A 14 -9.484 -7.752 7.671 1.00 0.00 C ATOM 165 CD LYS A 14 -10.342 -7.417 6.463 1.00 0.00 C ATOM 166 CE LYS A 14 -9.925 -6.097 5.832 1.00 0.00 C ATOM 167 NZ LYS A 14 -8.794 -6.271 4.879 1.00 0.00 N ATOM 0 H LYS A 14 -11.186 -11.162 8.768 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.607 -10.113 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.065 -8.934 8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.560 -9.028 9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.487 -6.911 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.452 -7.901 7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.261 -8.216 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.389 -7.364 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.776 -5.659 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.636 -5.396 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.342 -5.351 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.097 -6.928 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.152 -6.656 3.982 1.00 0.00 H new ATOM 181 N ASP A 15 -8.175 -12.056 8.472 1.00 0.00 N ATOM 182 CA ASP A 15 -6.916 -12.644 8.912 1.00 0.00 C ATOM 183 C ASP A 15 -5.915 -12.709 7.763 1.00 0.00 C ATOM 184 O ASP A 15 -4.817 -12.157 7.850 1.00 0.00 O ATOM 185 CB ASP A 15 -7.153 -14.045 9.478 1.00 0.00 C ATOM 186 CG ASP A 15 -5.860 -14.808 9.696 1.00 0.00 C ATOM 187 OD1 ASP A 15 -4.891 -14.201 10.199 1.00 0.00 O ATOM 188 OD2 ASP A 15 -5.819 -16.010 9.364 1.00 0.00 O ATOM 0 H ASP A 15 -8.967 -12.699 8.482 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.502 -12.009 9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.689 -13.966 10.424 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.792 -14.606 8.796 1.00 0.00 H new ATOM 193 N HIS A 16 -6.301 -13.386 6.686 1.00 0.00 N ATOM 194 CA HIS A 16 -5.437 -13.524 5.519 1.00 0.00 C ATOM 195 C HIS A 16 -4.753 -12.200 5.191 1.00 0.00 C ATOM 196 O HIS A 16 -3.646 -12.179 4.654 1.00 0.00 O ATOM 197 CB HIS A 16 -6.245 -14.006 4.314 1.00 0.00 C ATOM 198 CG HIS A 16 -7.120 -12.947 3.717 1.00 0.00 C ATOM 199 ND1 HIS A 16 -8.332 -12.578 4.260 1.00 0.00 N ATOM 200 CD2 HIS A 16 -6.951 -12.176 2.617 1.00 0.00 C ATOM 201 CE1 HIS A 16 -8.872 -11.627 3.519 1.00 0.00 C ATOM 202 NE2 HIS A 16 -8.054 -11.364 2.516 1.00 0.00 N ATOM 0 H HIS A 16 -7.206 -13.847 6.597 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.669 -14.262 5.751 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -5.559 -14.372 3.550 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.865 -14.850 4.617 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -8.747 -12.977 5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.106 -12.196 1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -9.821 -11.146 3.702 1.00 0.00 H new ATOM 211 N MET A 17 -5.421 -11.098 5.516 1.00 0.00 N ATOM 212 CA MET A 17 -4.877 -9.770 5.256 1.00 0.00 C ATOM 213 C MET A 17 -3.943 -9.335 6.380 1.00 0.00 C ATOM 214 O MET A 17 -2.733 -9.218 6.185 1.00 0.00 O ATOM 215 CB MET A 17 -6.009 -8.754 5.096 1.00 0.00 C ATOM 216 CG MET A 17 -6.495 -8.606 3.663 1.00 0.00 C ATOM 217 SD MET A 17 -5.162 -8.212 2.515 1.00 0.00 S ATOM 218 CE MET A 17 -5.015 -9.758 1.623 1.00 0.00 C ATOM 0 H MET A 17 -6.339 -11.098 5.960 1.00 0.00 H new ATOM 0 HA MET A 17 -4.305 -9.815 4.329 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.847 -9.053 5.726 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.669 -7.784 5.458 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.977 -9.532 3.350 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.251 -7.822 3.619 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.252 -9.661 0.850 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.732 -10.552 2.315 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.971 -10.003 1.160 1.00 0.00 H new ATOM 228 N SER A 18 -4.512 -9.097 7.558 1.00 0.00 N ATOM 229 CA SER A 18 -3.730 -8.671 8.712 1.00 0.00 C ATOM 230 C SER A 18 -2.347 -9.315 8.699 1.00 0.00 C ATOM 231 O SER A 18 -1.336 -8.646 8.917 1.00 0.00 O ATOM 232 CB SER A 18 -4.459 -9.029 10.009 1.00 0.00 C ATOM 233 OG SER A 18 -5.681 -8.320 10.119 1.00 0.00 O ATOM 0 H SER A 18 -5.512 -9.192 7.738 1.00 0.00 H new ATOM 0 HA SER A 18 -3.609 -7.589 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.653 -10.101 10.037 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.823 -8.798 10.863 1.00 0.00 H new ATOM 0 HG SER A 18 -6.348 -8.723 9.525 1.00 0.00 H new ATOM 239 N VAL A 19 -2.310 -10.618 8.443 1.00 0.00 N ATOM 240 CA VAL A 19 -1.052 -11.354 8.399 1.00 0.00 C ATOM 241 C VAL A 19 -0.076 -10.718 7.415 1.00 0.00 C ATOM 242 O VAL A 19 1.064 -10.411 7.765 1.00 0.00 O ATOM 243 CB VAL A 19 -1.275 -12.826 8.004 1.00 0.00 C ATOM 244 CG1 VAL A 19 -2.173 -12.920 6.780 1.00 0.00 C ATOM 245 CG2 VAL A 19 0.056 -13.518 7.755 1.00 0.00 C ATOM 0 H VAL A 19 -3.137 -11.187 8.263 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.629 -11.315 9.403 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.773 -13.335 8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.319 -13.967 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.138 -12.463 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.706 -12.397 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.121 -14.557 7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.584 -13.011 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.660 -13.483 8.662 1.00 0.00 H new ATOM 255 N LEU A 20 -0.532 -10.521 6.183 1.00 0.00 N ATOM 256 CA LEU A 20 0.300 -9.920 5.147 1.00 0.00 C ATOM 257 C LEU A 20 0.802 -8.546 5.580 1.00 0.00 C ATOM 258 O LEU A 20 1.947 -8.179 5.314 1.00 0.00 O ATOM 259 CB LEU A 20 -0.486 -9.799 3.840 1.00 0.00 C ATOM 260 CG LEU A 20 -0.972 -11.112 3.226 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.704 -10.851 1.919 1.00 0.00 C ATOM 262 CD2 LEU A 20 0.196 -12.062 3.004 1.00 0.00 C ATOM 0 H LEU A 20 -1.473 -10.769 5.877 1.00 0.00 H new ATOM 0 HA LEU A 20 1.162 -10.568 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.352 -9.162 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.140 -9.289 3.108 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.668 -11.580 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.043 -11.797 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.564 -10.208 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.030 -10.360 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.169 -12.991 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.917 -11.601 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.678 -12.275 3.958 1.00 0.00 H new ATOM 274 N LYS A 21 -0.061 -7.791 6.251 1.00 0.00 N ATOM 275 CA LYS A 21 0.294 -6.459 6.725 1.00 0.00 C ATOM 276 C LYS A 21 1.296 -6.539 7.873 1.00 0.00 C ATOM 277 O LYS A 21 2.007 -5.576 8.157 1.00 0.00 O ATOM 278 CB LYS A 21 -0.958 -5.706 7.179 1.00 0.00 C ATOM 279 CG LYS A 21 -1.792 -5.166 6.031 1.00 0.00 C ATOM 280 CD LYS A 21 -2.566 -6.273 5.334 1.00 0.00 C ATOM 281 CE LYS A 21 -3.842 -5.745 4.697 1.00 0.00 C ATOM 282 NZ LYS A 21 -4.611 -4.877 5.630 1.00 0.00 N ATOM 0 H LYS A 21 -1.012 -8.079 6.479 1.00 0.00 H new ATOM 0 HA LYS A 21 0.756 -5.918 5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.574 -6.373 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.661 -4.878 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.488 -4.416 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.143 -4.667 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.939 -6.731 4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.813 -7.054 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.592 -5.180 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.465 -6.583 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.628 -4.974 5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.417 -5.164 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.326 -3.886 5.496 1.00 0.00 H new ATOM 296 N ALA A 22 1.347 -7.695 8.528 1.00 0.00 N ATOM 297 CA ALA A 22 2.264 -7.901 9.642 1.00 0.00 C ATOM 298 C ALA A 22 3.681 -8.165 9.145 1.00 0.00 C ATOM 299 O ALA A 22 4.657 -7.796 9.798 1.00 0.00 O ATOM 300 CB ALA A 22 1.785 -9.053 10.513 1.00 0.00 C ATOM 0 H ALA A 22 0.764 -8.502 8.306 1.00 0.00 H new ATOM 0 HA ALA A 22 2.281 -6.990 10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.479 -9.196 11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.794 -8.825 10.905 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.738 -9.965 9.917 1.00 0.00 H new ATOM 306 N TYR A 23 3.787 -8.806 7.987 1.00 0.00 N ATOM 307 CA TYR A 23 5.085 -9.122 7.404 1.00 0.00 C ATOM 308 C TYR A 23 5.752 -7.868 6.846 1.00 0.00 C ATOM 309 O TYR A 23 6.948 -7.650 7.037 1.00 0.00 O ATOM 310 CB TYR A 23 4.930 -10.166 6.296 1.00 0.00 C ATOM 311 CG TYR A 23 4.645 -11.558 6.813 1.00 0.00 C ATOM 312 CD1 TYR A 23 5.515 -12.184 7.697 1.00 0.00 C ATOM 313 CD2 TYR A 23 3.507 -12.249 6.415 1.00 0.00 C ATOM 314 CE1 TYR A 23 5.260 -13.456 8.171 1.00 0.00 C ATOM 315 CE2 TYR A 23 3.243 -13.520 6.885 1.00 0.00 C ATOM 316 CZ TYR A 23 4.122 -14.120 7.762 1.00 0.00 C ATOM 317 OH TYR A 23 3.863 -15.387 8.231 1.00 0.00 O ATOM 0 H TYR A 23 2.989 -9.117 7.433 1.00 0.00 H new ATOM 0 HA TYR A 23 5.719 -9.529 8.192 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.121 -9.861 5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.842 -10.189 5.699 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.407 -11.667 8.019 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.817 -11.784 5.726 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.947 -13.928 8.858 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.352 -14.042 6.567 1.00 0.00 H new ATOM 0 HH TYR A 23 3.022 -15.712 7.847 1.00 0.00 H new ATOM 327 N TYR A 24 4.968 -7.047 6.156 1.00 0.00 N ATOM 328 CA TYR A 24 5.481 -5.815 5.569 1.00 0.00 C ATOM 329 C TYR A 24 5.898 -4.826 6.653 1.00 0.00 C ATOM 330 O TYR A 24 7.038 -4.364 6.682 1.00 0.00 O ATOM 331 CB TYR A 24 4.425 -5.179 4.662 1.00 0.00 C ATOM 332 CG TYR A 24 4.967 -4.074 3.784 1.00 0.00 C ATOM 333 CD1 TYR A 24 5.549 -2.941 4.339 1.00 0.00 C ATOM 334 CD2 TYR A 24 4.897 -4.163 2.399 1.00 0.00 C ATOM 335 CE1 TYR A 24 6.045 -1.929 3.541 1.00 0.00 C ATOM 336 CE2 TYR A 24 5.391 -3.156 1.593 1.00 0.00 C ATOM 337 CZ TYR A 24 5.964 -2.041 2.168 1.00 0.00 C ATOM 338 OH TYR A 24 6.457 -1.035 1.368 1.00 0.00 O ATOM 0 H TYR A 24 3.975 -7.212 5.990 1.00 0.00 H new ATOM 0 HA TYR A 24 6.359 -6.065 4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.988 -5.952 4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.621 -4.779 5.280 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.615 -2.850 5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.449 -5.034 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.494 -1.055 3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.329 -3.241 0.518 1.00 0.00 H new ATOM 0 HH TYR A 24 6.323 -1.270 0.426 1.00 0.00 H new ATOM 348 N ALA A 25 4.965 -4.507 7.544 1.00 0.00 N ATOM 349 CA ALA A 25 5.234 -3.576 8.633 1.00 0.00 C ATOM 350 C ALA A 25 6.596 -3.848 9.263 1.00 0.00 C ATOM 351 O ALA A 25 7.285 -2.925 9.697 1.00 0.00 O ATOM 352 CB ALA A 25 4.138 -3.661 9.684 1.00 0.00 C ATOM 0 H ALA A 25 4.016 -4.880 7.533 1.00 0.00 H new ATOM 0 HA ALA A 25 5.248 -2.567 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.352 -2.960 10.491 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.179 -3.410 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.096 -4.674 10.085 1.00 0.00 H new ATOM 358 N MET A 26 6.977 -5.120 9.311 1.00 0.00 N ATOM 359 CA MET A 26 8.258 -5.513 9.888 1.00 0.00 C ATOM 360 C MET A 26 9.366 -5.459 8.841 1.00 0.00 C ATOM 361 O MET A 26 10.526 -5.211 9.164 1.00 0.00 O ATOM 362 CB MET A 26 8.165 -6.921 10.478 1.00 0.00 C ATOM 363 CG MET A 26 7.125 -7.052 11.578 1.00 0.00 C ATOM 364 SD MET A 26 7.093 -8.698 12.312 1.00 0.00 S ATOM 365 CE MET A 26 6.459 -9.666 10.945 1.00 0.00 C ATOM 0 H MET A 26 6.418 -5.896 8.958 1.00 0.00 H new ATOM 0 HA MET A 26 8.501 -4.809 10.684 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.929 -7.625 9.680 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.140 -7.205 10.875 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.330 -6.316 12.355 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.141 -6.821 11.171 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.882 -10.670 10.983 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.373 -9.727 11.015 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.735 -9.191 10.004 1.00 0.00 H new ATOM 375 N ASN A 27 8.999 -5.694 7.585 1.00 0.00 N ATOM 376 CA ASN A 27 9.963 -5.673 6.491 1.00 0.00 C ATOM 377 C ASN A 27 9.319 -5.152 5.209 1.00 0.00 C ATOM 378 O ASN A 27 8.499 -5.832 4.593 1.00 0.00 O ATOM 379 CB ASN A 27 10.529 -7.075 6.256 1.00 0.00 C ATOM 380 CG ASN A 27 11.940 -7.043 5.701 1.00 0.00 C ATOM 381 OD1 ASN A 27 12.078 -7.356 4.417 1.00 0.00 O flip ATOM 382 ND2 ASN A 27 12.894 -6.740 6.417 1.00 0.00 N flip ATOM 0 H ASN A 27 8.042 -5.901 7.300 1.00 0.00 H new ATOM 0 HA ASN A 27 10.776 -5.001 6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.523 -7.628 7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.882 -7.614 5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.741 -6.507 7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.837 -6.722 6.029 1.00 0.00 H new ATOM 389 N MET A 28 9.698 -3.941 4.814 1.00 0.00 N ATOM 390 CA MET A 28 9.160 -3.329 3.604 1.00 0.00 C ATOM 391 C MET A 28 9.188 -4.313 2.439 1.00 0.00 C ATOM 392 O MET A 28 8.145 -4.668 1.890 1.00 0.00 O ATOM 393 CB MET A 28 9.955 -2.072 3.246 1.00 0.00 C ATOM 394 CG MET A 28 9.948 -1.016 4.339 1.00 0.00 C ATOM 395 SD MET A 28 11.343 -1.177 5.470 1.00 0.00 S ATOM 396 CE MET A 28 10.491 -1.387 7.031 1.00 0.00 C ATOM 0 H MET A 28 10.375 -3.364 5.314 1.00 0.00 H new ATOM 0 HA MET A 28 8.124 -3.051 3.796 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.986 -2.353 3.031 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.545 -1.641 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.968 -0.026 3.883 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.018 -1.089 4.903 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.185 -1.778 7.775 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.104 -0.425 7.366 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.665 -2.086 6.903 1.00 0.00 H new ATOM 406 N GLU A 29 10.387 -4.748 2.066 1.00 0.00 N ATOM 407 CA GLU A 29 10.549 -5.689 0.964 1.00 0.00 C ATOM 408 C GLU A 29 11.172 -6.995 1.451 1.00 0.00 C ATOM 409 O GLU A 29 12.379 -7.090 1.675 1.00 0.00 O ATOM 410 CB GLU A 29 11.417 -5.076 -0.137 1.00 0.00 C ATOM 411 CG GLU A 29 10.865 -3.774 -0.692 1.00 0.00 C ATOM 412 CD GLU A 29 11.953 -2.856 -1.216 1.00 0.00 C ATOM 413 OE1 GLU A 29 12.789 -3.324 -2.017 1.00 0.00 O ATOM 414 OE2 GLU A 29 11.969 -1.671 -0.824 1.00 0.00 O ATOM 0 H GLU A 29 11.260 -4.464 2.510 1.00 0.00 H new ATOM 0 HA GLU A 29 9.561 -5.907 0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.417 -4.898 0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.518 -5.794 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.163 -3.995 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.305 -3.259 0.088 1.00 0.00 H new ATOM 421 N PRO A 30 10.330 -8.025 1.619 1.00 0.00 N ATOM 422 CA PRO A 30 10.775 -9.343 2.081 1.00 0.00 C ATOM 423 C PRO A 30 11.613 -10.072 1.036 1.00 0.00 C ATOM 424 O PRO A 30 11.669 -9.662 -0.123 1.00 0.00 O ATOM 425 CB PRO A 30 9.464 -10.092 2.333 1.00 0.00 C ATOM 426 CG PRO A 30 8.472 -9.429 1.441 1.00 0.00 C ATOM 427 CD PRO A 30 8.879 -7.983 1.372 1.00 0.00 C ATOM 0 HA PRO A 30 11.417 -9.271 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.562 -11.152 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.164 -10.024 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.474 -9.883 0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.462 -9.532 1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.649 -7.547 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.361 -7.384 2.121 1.00 0.00 H new ATOM 435 N ASN A 31 12.261 -11.154 1.453 1.00 0.00 N ATOM 436 CA ASN A 31 13.096 -11.940 0.552 1.00 0.00 C ATOM 437 C ASN A 31 12.344 -13.165 0.042 1.00 0.00 C ATOM 438 O ASN A 31 11.203 -13.413 0.434 1.00 0.00 O ATOM 439 CB ASN A 31 14.380 -12.374 1.261 1.00 0.00 C ATOM 440 CG ASN A 31 14.762 -11.437 2.391 1.00 0.00 C ATOM 441 OD1 ASN A 31 14.670 -11.926 3.622 1.00 0.00 O flip ATOM 442 ND2 ASN A 31 15.136 -10.288 2.158 1.00 0.00 N flip ATOM 0 H ASN A 31 12.224 -11.507 2.409 1.00 0.00 H new ATOM 0 HA ASN A 31 13.355 -11.314 -0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.251 -13.382 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.194 -12.417 0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.191 -9.955 1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.391 -9.669 2.927 1.00 0.00 H new ATOM 449 N SER A 32 12.990 -13.928 -0.834 1.00 0.00 N ATOM 450 CA SER A 32 12.381 -15.126 -1.400 1.00 0.00 C ATOM 451 C SER A 32 11.992 -16.109 -0.300 1.00 0.00 C ATOM 452 O SER A 32 11.102 -16.940 -0.481 1.00 0.00 O ATOM 453 CB SER A 32 13.342 -15.797 -2.383 1.00 0.00 C ATOM 454 OG SER A 32 14.629 -15.955 -1.810 1.00 0.00 O ATOM 0 H SER A 32 13.935 -13.738 -1.167 1.00 0.00 H new ATOM 0 HA SER A 32 11.478 -14.828 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.948 -16.771 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.416 -15.198 -3.291 1.00 0.00 H new ATOM 0 HG SER A 32 15.224 -16.388 -2.457 1.00 0.00 H new ATOM 460 N ASP A 33 12.666 -16.008 0.841 1.00 0.00 N ATOM 461 CA ASP A 33 12.392 -16.887 1.972 1.00 0.00 C ATOM 462 C ASP A 33 11.108 -16.472 2.684 1.00 0.00 C ATOM 463 O ASP A 33 10.248 -17.304 2.967 1.00 0.00 O ATOM 464 CB ASP A 33 13.563 -16.869 2.954 1.00 0.00 C ATOM 465 CG ASP A 33 14.737 -17.698 2.471 1.00 0.00 C ATOM 466 OD1 ASP A 33 15.182 -17.484 1.323 1.00 0.00 O ATOM 467 OD2 ASP A 33 15.212 -18.559 3.240 1.00 0.00 O ATOM 0 H ASP A 33 13.406 -15.326 1.007 1.00 0.00 H new ATOM 0 HA ASP A 33 12.263 -17.900 1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.888 -15.840 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.229 -17.246 3.920 1.00 0.00 H new ATOM 472 N GLU A 34 10.988 -15.179 2.970 1.00 0.00 N ATOM 473 CA GLU A 34 9.809 -14.655 3.651 1.00 0.00 C ATOM 474 C GLU A 34 8.574 -14.761 2.761 1.00 0.00 C ATOM 475 O GLU A 34 7.558 -15.334 3.155 1.00 0.00 O ATOM 476 CB GLU A 34 10.035 -13.197 4.057 1.00 0.00 C ATOM 477 CG GLU A 34 11.128 -13.017 5.097 1.00 0.00 C ATOM 478 CD GLU A 34 11.613 -11.583 5.192 1.00 0.00 C ATOM 479 OE1 GLU A 34 10.765 -10.667 5.174 1.00 0.00 O ATOM 480 OE2 GLU A 34 12.841 -11.378 5.285 1.00 0.00 O ATOM 0 H GLU A 34 11.691 -14.476 2.741 1.00 0.00 H new ATOM 0 HA GLU A 34 9.642 -15.253 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.290 -12.617 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.103 -12.789 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.754 -13.335 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.969 -13.665 4.851 1.00 0.00 H new ATOM 487 N LEU A 35 8.669 -14.204 1.559 1.00 0.00 N ATOM 488 CA LEU A 35 7.560 -14.234 0.611 1.00 0.00 C ATOM 489 C LEU A 35 6.830 -15.572 0.671 1.00 0.00 C ATOM 490 O LEU A 35 5.613 -15.619 0.859 1.00 0.00 O ATOM 491 CB LEU A 35 8.070 -13.982 -0.809 1.00 0.00 C ATOM 492 CG LEU A 35 8.120 -12.519 -1.254 1.00 0.00 C ATOM 493 CD1 LEU A 35 8.720 -12.406 -2.647 1.00 0.00 C ATOM 494 CD2 LEU A 35 6.730 -11.902 -1.217 1.00 0.00 C ATOM 0 H LEU A 35 9.503 -13.726 1.217 1.00 0.00 H new ATOM 0 HA LEU A 35 6.859 -13.445 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.073 -14.401 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.435 -14.531 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 35 8.757 -11.969 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.748 -11.359 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.733 -12.809 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.110 -12.970 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.785 -10.861 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.070 -12.453 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.338 -11.949 -0.201 1.00 0.00 H new ATOM 506 N LEU A 36 7.580 -16.657 0.513 1.00 0.00 N ATOM 507 CA LEU A 36 7.004 -17.997 0.551 1.00 0.00 C ATOM 508 C LEU A 36 6.162 -18.192 1.808 1.00 0.00 C ATOM 509 O LEU A 36 4.949 -18.387 1.732 1.00 0.00 O ATOM 510 CB LEU A 36 8.111 -19.051 0.497 1.00 0.00 C ATOM 511 CG LEU A 36 7.650 -20.509 0.479 1.00 0.00 C ATOM 512 CD1 LEU A 36 6.556 -20.710 -0.558 1.00 0.00 C ATOM 513 CD2 LEU A 36 8.825 -21.436 0.204 1.00 0.00 C ATOM 0 H LEU A 36 8.588 -16.635 0.357 1.00 0.00 H new ATOM 0 HA LEU A 36 6.358 -18.113 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.714 -18.871 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.764 -18.908 1.358 1.00 0.00 H new ATOM 0 HG LEU A 36 7.242 -20.753 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.240 -21.753 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.705 -20.073 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.937 -20.448 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.479 -22.469 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.263 -21.191 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.576 -21.312 0.984 1.00 0.00 H new ATOM 525 N LYS A 37 6.813 -18.136 2.965 1.00 0.00 N ATOM 526 CA LYS A 37 6.125 -18.303 4.239 1.00 0.00 C ATOM 527 C LYS A 37 4.879 -17.426 4.304 1.00 0.00 C ATOM 528 O LYS A 37 3.814 -17.875 4.730 1.00 0.00 O ATOM 529 CB LYS A 37 7.064 -17.958 5.398 1.00 0.00 C ATOM 530 CG LYS A 37 7.774 -19.166 5.985 1.00 0.00 C ATOM 531 CD LYS A 37 7.004 -19.751 7.157 1.00 0.00 C ATOM 532 CE LYS A 37 6.026 -20.823 6.701 1.00 0.00 C ATOM 533 NZ LYS A 37 5.231 -21.366 7.837 1.00 0.00 N ATOM 0 H LYS A 37 7.817 -17.976 3.046 1.00 0.00 H new ATOM 0 HA LYS A 37 5.819 -19.346 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.809 -17.242 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.492 -17.466 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.898 -19.926 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.773 -18.878 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.703 -20.177 7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.462 -18.957 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.352 -20.406 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.574 -21.634 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.576 -22.094 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.872 -21.787 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.689 -20.597 8.280 1.00 0.00 H new ATOM 547 N ILE A 38 5.018 -16.176 3.877 1.00 0.00 N ATOM 548 CA ILE A 38 3.902 -15.238 3.884 1.00 0.00 C ATOM 549 C ILE A 38 2.674 -15.839 3.208 1.00 0.00 C ATOM 550 O ILE A 38 1.566 -15.774 3.739 1.00 0.00 O ATOM 551 CB ILE A 38 4.269 -13.920 3.177 1.00 0.00 C ATOM 552 CG1 ILE A 38 5.450 -13.250 3.882 1.00 0.00 C ATOM 553 CG2 ILE A 38 3.069 -12.986 3.141 1.00 0.00 C ATOM 554 CD1 ILE A 38 6.220 -12.296 2.997 1.00 0.00 C ATOM 0 H ILE A 38 5.892 -15.789 3.522 1.00 0.00 H new ATOM 0 HA ILE A 38 3.673 -15.029 4.929 1.00 0.00 H new ATOM 0 HB ILE A 38 4.561 -14.144 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.082 -12.708 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.128 -14.020 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.344 -12.059 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.252 -13.464 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.749 -12.765 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.042 -11.858 3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.618 -12.837 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.556 -11.504 2.651 1.00 0.00 H new ATOM 566 N SER A 39 2.881 -16.426 2.033 1.00 0.00 N ATOM 567 CA SER A 39 1.790 -17.038 1.282 1.00 0.00 C ATOM 568 C SER A 39 1.421 -18.396 1.871 1.00 0.00 C ATOM 569 O SER A 39 0.326 -18.909 1.636 1.00 0.00 O ATOM 570 CB SER A 39 2.182 -17.196 -0.189 1.00 0.00 C ATOM 571 OG SER A 39 2.801 -18.449 -0.420 1.00 0.00 O ATOM 0 H SER A 39 3.793 -16.491 1.581 1.00 0.00 H new ATOM 0 HA SER A 39 0.921 -16.383 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.296 -17.104 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.861 -16.393 -0.476 1.00 0.00 H new ATOM 0 HG SER A 39 2.123 -19.104 -0.688 1.00 0.00 H new ATOM 577 N ILE A 40 2.341 -18.973 2.636 1.00 0.00 N ATOM 578 CA ILE A 40 2.113 -20.270 3.259 1.00 0.00 C ATOM 579 C ILE A 40 1.193 -20.145 4.468 1.00 0.00 C ATOM 580 O ILE A 40 0.148 -20.791 4.535 1.00 0.00 O ATOM 581 CB ILE A 40 3.436 -20.924 3.700 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.190 -21.469 2.486 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.169 -22.033 4.707 1.00 0.00 C ATOM 584 CD1 ILE A 40 5.529 -22.082 2.832 1.00 0.00 C ATOM 0 H ILE A 40 3.252 -18.562 2.839 1.00 0.00 H new ATOM 0 HA ILE A 40 1.638 -20.901 2.508 1.00 0.00 H new ATOM 0 HB ILE A 40 4.057 -20.167 4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.573 -22.219 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.343 -20.661 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.114 -22.485 5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.670 -21.617 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.532 -22.792 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.008 -22.447 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.164 -21.329 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.382 -22.912 3.523 1.00 0.00 H new ATOM 596 N ALA A 41 1.588 -19.307 5.421 1.00 0.00 N ATOM 597 CA ALA A 41 0.797 -19.093 6.627 1.00 0.00 C ATOM 598 C ALA A 41 -0.675 -18.886 6.288 1.00 0.00 C ATOM 599 O ALA A 41 -1.558 -19.434 6.947 1.00 0.00 O ATOM 600 CB ALA A 41 1.334 -17.902 7.406 1.00 0.00 C ATOM 0 H ALA A 41 2.451 -18.765 5.381 1.00 0.00 H new ATOM 0 HA ALA A 41 0.878 -19.985 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.734 -17.754 8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.370 -18.089 7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.284 -17.008 6.784 1.00 0.00 H new ATOM 606 N VAL A 42 -0.934 -18.089 5.255 1.00 0.00 N ATOM 607 CA VAL A 42 -2.299 -17.810 4.828 1.00 0.00 C ATOM 608 C VAL A 42 -2.830 -18.916 3.924 1.00 0.00 C ATOM 609 O VAL A 42 -4.029 -19.191 3.900 1.00 0.00 O ATOM 610 CB VAL A 42 -2.390 -16.465 4.083 1.00 0.00 C ATOM 611 CG1 VAL A 42 -2.200 -15.305 5.048 1.00 0.00 C ATOM 612 CG2 VAL A 42 -1.365 -16.409 2.960 1.00 0.00 C ATOM 0 H VAL A 42 -0.215 -17.626 4.699 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.908 -17.759 5.730 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.383 -16.380 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.268 -14.363 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.975 -15.338 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.221 -15.381 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.443 -15.452 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.363 -16.517 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.554 -17.218 2.255 1.00 0.00 H new ATOM 622 N GLY A 43 -1.928 -19.550 3.181 1.00 0.00 N ATOM 623 CA GLY A 43 -2.324 -20.621 2.285 1.00 0.00 C ATOM 624 C GLY A 43 -2.409 -20.167 0.841 1.00 0.00 C ATOM 625 O GLY A 43 -2.684 -20.967 -0.054 1.00 0.00 O ATOM 0 H GLY A 43 -0.930 -19.341 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.609 -21.440 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.292 -21.013 2.597 1.00 0.00 H new ATOM 629 N LEU A 44 -2.174 -18.879 0.613 1.00 0.00 N ATOM 630 CA LEU A 44 -2.227 -18.319 -0.733 1.00 0.00 C ATOM 631 C LEU A 44 -0.967 -18.670 -1.519 1.00 0.00 C ATOM 632 O LEU A 44 0.088 -18.957 -0.953 1.00 0.00 O ATOM 633 CB LEU A 44 -2.394 -16.800 -0.669 1.00 0.00 C ATOM 634 CG LEU A 44 -3.804 -16.293 -0.364 1.00 0.00 C ATOM 635 CD1 LEU A 44 -3.757 -14.865 0.157 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.682 -16.381 -1.605 1.00 0.00 C ATOM 0 H LEU A 44 -1.945 -18.204 1.342 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.086 -18.752 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.717 -16.412 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.076 -16.379 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.238 -16.926 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.770 -14.521 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.164 -14.830 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.304 -14.218 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.682 -16.016 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.251 -15.772 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.742 -17.418 -1.935 1.00 0.00 H new ATOM 648 N PRO A 45 -1.077 -18.646 -2.856 1.00 0.00 N ATOM 649 CA PRO A 45 0.044 -18.956 -3.748 1.00 0.00 C ATOM 650 C PRO A 45 1.123 -17.879 -3.719 1.00 0.00 C ATOM 651 O PRO A 45 0.860 -16.717 -4.027 1.00 0.00 O ATOM 652 CB PRO A 45 -0.611 -19.021 -5.130 1.00 0.00 C ATOM 653 CG PRO A 45 -1.823 -18.163 -5.016 1.00 0.00 C ATOM 654 CD PRO A 45 -2.304 -18.313 -3.599 1.00 0.00 C ATOM 0 HA PRO A 45 0.553 -19.875 -3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.062 -18.654 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.874 -20.045 -5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.587 -17.123 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.591 -18.476 -5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.760 -17.394 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.054 -19.099 -3.510 1.00 0.00 H new ATOM 662 N GLN A 46 2.337 -18.274 -3.348 1.00 0.00 N ATOM 663 CA GLN A 46 3.455 -17.341 -3.280 1.00 0.00 C ATOM 664 C GLN A 46 3.435 -16.379 -4.463 1.00 0.00 C ATOM 665 O GLN A 46 3.709 -15.189 -4.312 1.00 0.00 O ATOM 666 CB GLN A 46 4.781 -18.103 -3.249 1.00 0.00 C ATOM 667 CG GLN A 46 5.970 -17.239 -2.861 1.00 0.00 C ATOM 668 CD GLN A 46 7.289 -17.978 -2.972 1.00 0.00 C ATOM 669 OE1 GLN A 46 7.373 -19.032 -3.603 1.00 0.00 O ATOM 670 NE2 GLN A 46 8.330 -17.429 -2.356 1.00 0.00 N ATOM 0 H GLN A 46 2.571 -19.233 -3.090 1.00 0.00 H new ATOM 0 HA GLN A 46 3.356 -16.761 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.699 -18.931 -2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.964 -18.538 -4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.997 -16.357 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.840 -16.887 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.216 -16.554 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.243 -17.882 -2.395 1.00 0.00 H new ATOM 679 N GLU A 47 3.108 -16.904 -5.640 1.00 0.00 N ATOM 680 CA GLU A 47 3.054 -16.090 -6.849 1.00 0.00 C ATOM 681 C GLU A 47 2.161 -14.870 -6.645 1.00 0.00 C ATOM 682 O GLU A 47 2.516 -13.755 -7.029 1.00 0.00 O ATOM 683 CB GLU A 47 2.539 -16.921 -8.027 1.00 0.00 C ATOM 684 CG GLU A 47 3.442 -18.088 -8.389 1.00 0.00 C ATOM 685 CD GLU A 47 3.230 -18.570 -9.812 1.00 0.00 C ATOM 686 OE1 GLU A 47 3.739 -17.911 -10.743 1.00 0.00 O ATOM 687 OE2 GLU A 47 2.555 -19.604 -9.993 1.00 0.00 O ATOM 0 H GLU A 47 2.877 -17.887 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 47 4.064 -15.746 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.546 -17.302 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.429 -16.274 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.483 -17.791 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.259 -18.912 -7.699 1.00 0.00 H new ATOM 694 N PHE A 48 1.000 -15.089 -6.037 1.00 0.00 N ATOM 695 CA PHE A 48 0.054 -14.009 -5.782 1.00 0.00 C ATOM 696 C PHE A 48 0.637 -12.997 -4.800 1.00 0.00 C ATOM 697 O PHE A 48 0.759 -11.812 -5.111 1.00 0.00 O ATOM 698 CB PHE A 48 -1.259 -14.571 -5.234 1.00 0.00 C ATOM 699 CG PHE A 48 -2.246 -13.510 -4.838 1.00 0.00 C ATOM 700 CD1 PHE A 48 -2.182 -12.918 -3.587 1.00 0.00 C ATOM 701 CD2 PHE A 48 -3.238 -13.105 -5.717 1.00 0.00 C ATOM 702 CE1 PHE A 48 -3.089 -11.941 -3.219 1.00 0.00 C ATOM 703 CE2 PHE A 48 -4.146 -12.128 -5.355 1.00 0.00 C ATOM 704 CZ PHE A 48 -4.073 -11.547 -4.104 1.00 0.00 C ATOM 0 H PHE A 48 0.691 -16.005 -5.712 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.143 -13.501 -6.726 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.712 -15.215 -5.988 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.044 -15.197 -4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.415 -13.223 -2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.302 -13.558 -6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.028 -11.487 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.913 -11.819 -6.050 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.784 -10.786 -3.819 1.00 0.00 H new ATOM 714 N VAL A 49 0.995 -13.473 -3.612 1.00 0.00 N ATOM 715 CA VAL A 49 1.566 -12.611 -2.583 1.00 0.00 C ATOM 716 C VAL A 49 2.629 -11.688 -3.168 1.00 0.00 C ATOM 717 O VAL A 49 2.679 -10.499 -2.849 1.00 0.00 O ATOM 718 CB VAL A 49 2.189 -13.436 -1.442 1.00 0.00 C ATOM 719 CG1 VAL A 49 3.122 -12.573 -0.606 1.00 0.00 C ATOM 720 CG2 VAL A 49 1.102 -14.053 -0.576 1.00 0.00 C ATOM 0 H VAL A 49 0.900 -14.451 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 49 0.749 -12.011 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 49 2.775 -14.244 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.553 -13.173 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.921 -12.184 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.562 -11.743 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.560 -14.633 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.487 -13.263 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.478 -14.707 -1.186 1.00 0.00 H new ATOM 730 N LYS A 50 3.479 -12.241 -4.026 1.00 0.00 N ATOM 731 CA LYS A 50 4.541 -11.469 -4.658 1.00 0.00 C ATOM 732 C LYS A 50 3.994 -10.174 -5.251 1.00 0.00 C ATOM 733 O LYS A 50 4.413 -9.082 -4.872 1.00 0.00 O ATOM 734 CB LYS A 50 5.221 -12.296 -5.751 1.00 0.00 C ATOM 735 CG LYS A 50 6.215 -11.505 -6.584 1.00 0.00 C ATOM 736 CD LYS A 50 7.557 -11.382 -5.882 1.00 0.00 C ATOM 737 CE LYS A 50 8.451 -10.358 -6.564 1.00 0.00 C ATOM 738 NZ LYS A 50 9.663 -10.053 -5.754 1.00 0.00 N ATOM 0 H LYS A 50 3.453 -13.223 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 50 5.275 -11.216 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.736 -13.139 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.457 -12.711 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.352 -11.993 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.815 -10.511 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.400 -11.094 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.054 -12.352 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.753 -10.733 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.888 -9.440 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.246 -9.351 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.376 -9.671 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.214 -10.924 -5.613 1.00 0.00 H new ATOM 752 N GLU A 51 3.054 -10.307 -6.182 1.00 0.00 N ATOM 753 CA GLU A 51 2.450 -9.147 -6.827 1.00 0.00 C ATOM 754 C GLU A 51 1.899 -8.173 -5.788 1.00 0.00 C ATOM 755 O GLU A 51 2.085 -6.961 -5.899 1.00 0.00 O ATOM 756 CB GLU A 51 1.331 -9.586 -7.773 1.00 0.00 C ATOM 757 CG GLU A 51 1.832 -10.089 -9.116 1.00 0.00 C ATOM 758 CD GLU A 51 0.709 -10.566 -10.017 1.00 0.00 C ATOM 759 OE1 GLU A 51 -0.244 -9.791 -10.240 1.00 0.00 O ATOM 760 OE2 GLU A 51 0.784 -11.716 -10.498 1.00 0.00 O ATOM 0 H GLU A 51 2.695 -11.205 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 51 3.224 -8.639 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.749 -10.373 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.656 -8.746 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.380 -9.291 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.535 -10.906 -8.954 1.00 0.00 H new ATOM 767 N TRP A 52 1.222 -8.712 -4.781 1.00 0.00 N ATOM 768 CA TRP A 52 0.644 -7.891 -3.723 1.00 0.00 C ATOM 769 C TRP A 52 1.691 -6.961 -3.122 1.00 0.00 C ATOM 770 O TRP A 52 1.417 -5.790 -2.856 1.00 0.00 O ATOM 771 CB TRP A 52 0.045 -8.779 -2.631 1.00 0.00 C ATOM 772 CG TRP A 52 -0.634 -8.005 -1.542 1.00 0.00 C ATOM 773 CD1 TRP A 52 -1.851 -7.389 -1.610 1.00 0.00 C ATOM 774 CD2 TRP A 52 -0.132 -7.761 -0.223 1.00 0.00 C ATOM 775 NE1 TRP A 52 -2.137 -6.778 -0.413 1.00 0.00 N ATOM 776 CE2 TRP A 52 -1.099 -6.993 0.455 1.00 0.00 C ATOM 777 CE3 TRP A 52 1.037 -8.120 0.452 1.00 0.00 C ATOM 778 CZ2 TRP A 52 -0.928 -6.577 1.773 1.00 0.00 C ATOM 779 CZ3 TRP A 52 1.205 -7.706 1.760 1.00 0.00 C ATOM 780 CH2 TRP A 52 0.227 -6.942 2.409 1.00 0.00 C ATOM 0 H TRP A 52 1.060 -9.713 -4.674 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.147 -7.282 -4.161 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.673 -9.463 -3.083 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.836 -9.389 -2.194 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.494 -7.383 -2.477 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.984 -6.250 -0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.796 -8.711 -0.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.680 -5.987 2.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.106 -7.976 2.291 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.388 -6.635 3.432 1.00 0.00 H new ATOM 791 N PHE A 53 2.893 -7.488 -2.910 1.00 0.00 N ATOM 792 CA PHE A 53 3.982 -6.703 -2.339 1.00 0.00 C ATOM 793 C PHE A 53 4.598 -5.784 -3.389 1.00 0.00 C ATOM 794 O PHE A 53 4.953 -4.643 -3.098 1.00 0.00 O ATOM 795 CB PHE A 53 5.055 -7.627 -1.760 1.00 0.00 C ATOM 796 CG PHE A 53 4.827 -7.981 -0.318 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.267 -7.141 0.692 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.175 -9.153 0.027 1.00 0.00 C ATOM 799 CE1 PHE A 53 5.058 -7.463 2.020 1.00 0.00 C ATOM 800 CE2 PHE A 53 3.963 -9.480 1.353 1.00 0.00 C ATOM 801 CZ PHE A 53 4.407 -8.635 2.351 1.00 0.00 C ATOM 0 H PHE A 53 3.137 -8.455 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 53 3.572 -6.087 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.091 -8.543 -2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.028 -7.147 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.779 -6.224 0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.828 -9.819 -0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.404 -6.798 2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.450 -10.396 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.245 -8.890 3.388 1.00 0.00 H new ATOM 811 N GLU A 54 4.723 -6.291 -4.612 1.00 0.00 N ATOM 812 CA GLU A 54 5.298 -5.517 -5.705 1.00 0.00 C ATOM 813 C GLU A 54 4.517 -4.225 -5.926 1.00 0.00 C ATOM 814 O GLU A 54 5.098 -3.143 -6.011 1.00 0.00 O ATOM 815 CB GLU A 54 5.313 -6.343 -6.993 1.00 0.00 C ATOM 816 CG GLU A 54 6.588 -7.146 -7.186 1.00 0.00 C ATOM 817 CD GLU A 54 7.649 -6.381 -7.952 1.00 0.00 C ATOM 818 OE1 GLU A 54 7.289 -5.427 -8.672 1.00 0.00 O ATOM 819 OE2 GLU A 54 8.840 -6.738 -7.832 1.00 0.00 O ATOM 0 H GLU A 54 4.434 -7.234 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 54 6.322 -5.261 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.462 -7.024 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.182 -5.675 -7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.984 -7.432 -6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.355 -8.068 -7.718 1.00 0.00 H new ATOM 826 N GLN A 55 3.196 -4.347 -6.018 1.00 0.00 N ATOM 827 CA GLN A 55 2.336 -3.189 -6.231 1.00 0.00 C ATOM 828 C GLN A 55 2.731 -2.040 -5.309 1.00 0.00 C ATOM 829 O GLN A 55 2.944 -0.914 -5.761 1.00 0.00 O ATOM 830 CB GLN A 55 0.872 -3.565 -5.996 1.00 0.00 C ATOM 831 CG GLN A 55 0.255 -4.353 -7.140 1.00 0.00 C ATOM 832 CD GLN A 55 -1.171 -4.781 -6.853 1.00 0.00 C ATOM 833 OE1 GLN A 55 -2.112 -4.007 -7.033 1.00 0.00 O ATOM 834 NE2 GLN A 55 -1.338 -6.019 -6.404 1.00 0.00 N ATOM 0 H GLN A 55 2.699 -5.235 -5.948 1.00 0.00 H new ATOM 0 HA GLN A 55 2.460 -2.862 -7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.799 -4.152 -5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.293 -2.655 -5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.273 -3.746 -8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.863 -5.236 -7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.529 -6.626 -6.270 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.275 -6.363 -6.193 1.00 0.00 H new ATOM 843 N ARG A 56 2.828 -2.331 -4.016 1.00 0.00 N ATOM 844 CA ARG A 56 3.197 -1.322 -3.031 1.00 0.00 C ATOM 845 C ARG A 56 4.454 -0.573 -3.465 1.00 0.00 C ATOM 846 O ARG A 56 4.541 0.648 -3.326 1.00 0.00 O ATOM 847 CB ARG A 56 3.424 -1.971 -1.664 1.00 0.00 C ATOM 848 CG ARG A 56 2.137 -2.344 -0.946 1.00 0.00 C ATOM 849 CD ARG A 56 2.280 -2.205 0.561 1.00 0.00 C ATOM 850 NE ARG A 56 1.435 -3.154 1.281 1.00 0.00 N ATOM 851 CZ ARG A 56 1.011 -2.964 2.525 1.00 0.00 C ATOM 852 NH1 ARG A 56 1.351 -1.865 3.184 1.00 0.00 N ATOM 853 NH2 ARG A 56 0.245 -3.874 3.113 1.00 0.00 N ATOM 0 H ARG A 56 2.656 -3.258 -3.626 1.00 0.00 H new ATOM 0 HA ARG A 56 2.377 -0.608 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.031 -2.867 -1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.995 -1.287 -1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.326 -1.706 -1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.865 -3.370 -1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.321 -2.361 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.019 -1.189 0.858 1.00 0.00 H new ATOM 0 HE ARG A 56 1.155 -4.010 0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.940 -1.163 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.024 -1.722 4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.019 -4.721 2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.080 -3.727 4.069 1.00 0.00 H new ATOM 867 N LYS A 57 5.425 -1.311 -3.990 1.00 0.00 N ATOM 868 CA LYS A 57 6.677 -0.719 -4.445 1.00 0.00 C ATOM 869 C LYS A 57 6.418 0.383 -5.467 1.00 0.00 C ATOM 870 O LYS A 57 7.039 1.445 -5.422 1.00 0.00 O ATOM 871 CB LYS A 57 7.582 -1.792 -5.054 1.00 0.00 C ATOM 872 CG LYS A 57 7.828 -2.974 -4.133 1.00 0.00 C ATOM 873 CD LYS A 57 9.101 -3.717 -4.507 1.00 0.00 C ATOM 874 CE LYS A 57 8.826 -4.821 -5.516 1.00 0.00 C ATOM 875 NZ LYS A 57 10.084 -5.386 -6.077 1.00 0.00 N ATOM 0 H LYS A 57 5.369 -2.322 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 57 7.176 -0.280 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.133 -2.151 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.539 -1.342 -5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.899 -2.625 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.980 -3.657 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.824 -3.015 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.550 -4.145 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.253 -5.615 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.212 -4.428 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.868 -5.928 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.738 -4.612 -6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.526 -6.013 -5.375 1.00 0.00 H new ATOM 889 N VAL A 58 5.495 0.124 -6.388 1.00 0.00 N ATOM 890 CA VAL A 58 5.151 1.095 -7.420 1.00 0.00 C ATOM 891 C VAL A 58 4.970 2.487 -6.827 1.00 0.00 C ATOM 892 O VAL A 58 5.483 3.472 -7.359 1.00 0.00 O ATOM 893 CB VAL A 58 3.862 0.693 -8.162 1.00 0.00 C ATOM 894 CG1 VAL A 58 3.506 1.730 -9.216 1.00 0.00 C ATOM 895 CG2 VAL A 58 4.015 -0.685 -8.788 1.00 0.00 C ATOM 0 H VAL A 58 4.972 -0.750 -6.440 1.00 0.00 H new ATOM 0 HA VAL A 58 5.979 1.110 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 58 3.047 0.650 -7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.593 1.428 -9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.351 2.697 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.319 1.809 -9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.095 -0.953 -9.308 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.842 -0.672 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.217 -1.419 -8.008 1.00 0.00 H new ATOM 905 N TYR A 59 4.237 2.562 -5.721 1.00 0.00 N ATOM 906 CA TYR A 59 3.986 3.835 -5.056 1.00 0.00 C ATOM 907 C TYR A 59 5.212 4.290 -4.270 1.00 0.00 C ATOM 908 O TYR A 59 5.570 5.467 -4.285 1.00 0.00 O ATOM 909 CB TYR A 59 2.782 3.716 -4.119 1.00 0.00 C ATOM 910 CG TYR A 59 1.658 2.876 -4.682 1.00 0.00 C ATOM 911 CD1 TYR A 59 1.674 1.491 -4.563 1.00 0.00 C ATOM 912 CD2 TYR A 59 0.582 3.466 -5.333 1.00 0.00 C ATOM 913 CE1 TYR A 59 0.649 0.719 -5.076 1.00 0.00 C ATOM 914 CE2 TYR A 59 -0.447 2.701 -5.847 1.00 0.00 C ATOM 915 CZ TYR A 59 -0.409 1.329 -5.717 1.00 0.00 C ATOM 916 OH TYR A 59 -1.432 0.564 -6.230 1.00 0.00 O ATOM 0 H TYR A 59 3.807 1.757 -5.267 1.00 0.00 H new ATOM 0 HA TYR A 59 3.770 4.580 -5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.109 3.283 -3.174 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.403 4.714 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.501 1.010 -4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.549 4.540 -5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.676 -0.356 -4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.278 3.176 -6.348 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.099 1.148 -6.648 1.00 0.00 H new ATOM 926 N GLN A 60 5.852 3.347 -3.585 1.00 0.00 N ATOM 927 CA GLN A 60 7.038 3.650 -2.794 1.00 0.00 C ATOM 928 C GLN A 60 8.103 4.331 -3.647 1.00 0.00 C ATOM 929 O GLN A 60 8.838 5.195 -3.168 1.00 0.00 O ATOM 930 CB GLN A 60 7.605 2.371 -2.175 1.00 0.00 C ATOM 931 CG GLN A 60 6.970 2.006 -0.843 1.00 0.00 C ATOM 932 CD GLN A 60 7.362 2.958 0.270 1.00 0.00 C ATOM 933 OE1 GLN A 60 8.186 3.852 0.077 1.00 0.00 O ATOM 934 NE2 GLN A 60 6.771 2.770 1.445 1.00 0.00 N ATOM 0 H GLN A 60 5.569 2.367 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 60 6.746 4.333 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.464 1.546 -2.873 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.679 2.490 -2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.885 2.005 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.264 0.993 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.094 2.016 1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.995 3.380 2.232 1.00 0.00 H new ATOM 943 N TYR A 61 8.180 3.937 -4.913 1.00 0.00 N ATOM 944 CA TYR A 61 9.157 4.508 -5.833 1.00 0.00 C ATOM 945 C TYR A 61 8.547 5.655 -6.633 1.00 0.00 C ATOM 946 O TYR A 61 9.221 6.638 -6.942 1.00 0.00 O ATOM 947 CB TYR A 61 9.683 3.431 -6.784 1.00 0.00 C ATOM 948 CG TYR A 61 10.962 2.778 -6.312 1.00 0.00 C ATOM 949 CD1 TYR A 61 12.199 3.352 -6.582 1.00 0.00 C ATOM 950 CD2 TYR A 61 10.935 1.588 -5.596 1.00 0.00 C ATOM 951 CE1 TYR A 61 13.370 2.758 -6.153 1.00 0.00 C ATOM 952 CE2 TYR A 61 12.101 0.988 -5.162 1.00 0.00 C ATOM 953 CZ TYR A 61 13.316 1.577 -5.443 1.00 0.00 C ATOM 954 OH TYR A 61 14.481 0.982 -5.014 1.00 0.00 O ATOM 0 H TYR A 61 7.578 3.225 -5.326 1.00 0.00 H new ATOM 0 HA TYR A 61 9.986 4.901 -5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.918 2.664 -6.909 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.852 3.876 -7.765 1.00 0.00 H new ATOM 0 HD1 TYR A 61 12.245 4.278 -7.136 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.985 1.124 -5.375 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.323 3.216 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.061 0.063 -4.606 1.00 0.00 H new ATOM 0 HH TYR A 61 14.268 0.158 -4.528 1.00 0.00 H new ATOM 964 N SER A 62 7.267 5.522 -6.964 1.00 0.00 N ATOM 965 CA SER A 62 6.565 6.545 -7.730 1.00 0.00 C ATOM 966 C SER A 62 6.025 7.637 -6.812 1.00 0.00 C ATOM 967 O SER A 62 5.405 7.352 -5.788 1.00 0.00 O ATOM 968 CB SER A 62 5.418 5.919 -8.526 1.00 0.00 C ATOM 969 OG SER A 62 4.291 5.686 -7.699 1.00 0.00 O ATOM 0 H SER A 62 6.695 4.716 -6.714 1.00 0.00 H new ATOM 0 HA SER A 62 7.275 6.996 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.140 6.578 -9.348 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.749 4.979 -8.969 1.00 0.00 H new ATOM 0 HG SER A 62 4.152 4.721 -7.599 1.00 0.00 H new ATOM 975 N ASN A 63 6.266 8.889 -7.186 1.00 0.00 N ATOM 976 CA ASN A 63 5.806 10.025 -6.397 1.00 0.00 C ATOM 977 C ASN A 63 4.312 9.917 -6.108 1.00 0.00 C ATOM 978 O ASN A 63 3.626 9.048 -6.647 1.00 0.00 O ATOM 979 CB ASN A 63 6.101 11.335 -7.130 1.00 0.00 C ATOM 980 CG ASN A 63 7.583 11.535 -7.382 1.00 0.00 C ATOM 981 OD1 ASN A 63 8.140 10.993 -8.336 1.00 0.00 O ATOM 982 ND2 ASN A 63 8.229 12.317 -6.524 1.00 0.00 N ATOM 0 H ASN A 63 6.778 9.142 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 63 6.343 10.018 -5.449 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.569 11.344 -8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.719 12.170 -6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.227 12.488 -6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.726 12.746 -5.747 1.00 0.00 H new ATOM 989 N SER A 64 3.814 10.805 -5.254 1.00 0.00 N ATOM 990 CA SER A 64 2.401 10.808 -4.891 1.00 0.00 C ATOM 991 C SER A 64 2.011 9.496 -4.217 1.00 0.00 C ATOM 992 O SER A 64 0.945 8.941 -4.485 1.00 0.00 O ATOM 993 CB SER A 64 1.534 11.036 -6.131 1.00 0.00 C ATOM 994 OG SER A 64 0.221 11.425 -5.770 1.00 0.00 O ATOM 0 H SER A 64 4.368 11.532 -4.800 1.00 0.00 H new ATOM 0 HA SER A 64 2.234 11.622 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.985 11.805 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.496 10.123 -6.725 1.00 0.00 H new ATOM 0 HG SER A 64 -0.155 10.769 -5.146 1.00 0.00 H new ATOM 1000 N ARG A 65 2.882 9.005 -3.342 1.00 0.00 N ATOM 1001 CA ARG A 65 2.631 7.758 -2.630 1.00 0.00 C ATOM 1002 C ARG A 65 1.655 7.977 -1.478 1.00 0.00 C ATOM 1003 O ARG A 65 1.921 8.762 -0.567 1.00 0.00 O ATOM 1004 CB ARG A 65 3.942 7.175 -2.099 1.00 0.00 C ATOM 1005 CG ARG A 65 3.770 5.853 -1.369 1.00 0.00 C ATOM 1006 CD ARG A 65 3.508 6.066 0.113 1.00 0.00 C ATOM 1007 NE ARG A 65 4.746 6.106 0.887 1.00 0.00 N ATOM 1008 CZ ARG A 65 4.841 6.653 2.094 1.00 0.00 C ATOM 1009 NH1 ARG A 65 3.776 7.203 2.662 1.00 0.00 N ATOM 1010 NH2 ARG A 65 6.002 6.650 2.736 1.00 0.00 N ATOM 0 H ARG A 65 3.769 9.452 -3.109 1.00 0.00 H new ATOM 0 HA ARG A 65 2.186 7.052 -3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.630 7.033 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.403 7.896 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.942 5.298 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.666 5.246 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.962 6.999 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.872 5.264 0.488 1.00 0.00 H new ATOM 0 HE ARG A 65 5.584 5.691 0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.881 7.207 2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.852 7.622 3.589 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.823 6.227 2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.073 7.070 3.663 1.00 0.00 H new ATOM 1024 N SER A 66 0.526 7.278 -1.524 1.00 0.00 N ATOM 1025 CA SER A 66 -0.492 7.399 -0.486 1.00 0.00 C ATOM 1026 C SER A 66 -0.147 6.526 0.716 1.00 0.00 C ATOM 1027 O SER A 66 0.398 5.433 0.569 1.00 0.00 O ATOM 1028 CB SER A 66 -1.863 7.007 -1.039 1.00 0.00 C ATOM 1029 OG SER A 66 -2.522 8.125 -1.608 1.00 0.00 O ATOM 0 H SER A 66 0.292 6.622 -2.269 1.00 0.00 H new ATOM 0 HA SER A 66 -0.523 8.439 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.746 6.228 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.475 6.588 -0.240 1.00 0.00 H new ATOM 0 HG SER A 66 -3.395 7.848 -1.956 1.00 0.00 H new ATOM 1035 N GLY A 67 -0.469 7.019 1.909 1.00 0.00 N ATOM 1036 CA GLY A 67 -0.186 6.272 3.121 1.00 0.00 C ATOM 1037 C GLY A 67 -0.277 7.132 4.366 1.00 0.00 C ATOM 1038 O GLY A 67 0.057 8.317 4.353 1.00 0.00 O ATOM 0 H GLY A 67 -0.920 7.922 2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.887 5.442 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.813 5.840 3.053 1.00 0.00 H new ATOM 1042 N PRO A 68 -0.739 6.531 5.472 1.00 0.00 N ATOM 1043 CA PRO A 68 -0.884 7.232 6.752 1.00 0.00 C ATOM 1044 C PRO A 68 0.462 7.574 7.382 1.00 0.00 C ATOM 1045 O PRO A 68 0.521 8.116 8.485 1.00 0.00 O ATOM 1046 CB PRO A 68 -1.643 6.227 7.623 1.00 0.00 C ATOM 1047 CG PRO A 68 -1.315 4.897 7.038 1.00 0.00 C ATOM 1048 CD PRO A 68 -1.155 5.122 5.560 1.00 0.00 C ATOM 0 HA PRO A 68 -1.394 8.188 6.637 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.329 6.290 8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.716 6.415 7.601 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.400 4.495 7.473 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.107 4.176 7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.407 4.455 5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.087 4.944 5.023 1.00 0.00 H new ATOM 1056 N SER A 69 1.540 7.254 6.673 1.00 0.00 N ATOM 1057 CA SER A 69 2.886 7.524 7.165 1.00 0.00 C ATOM 1058 C SER A 69 3.147 6.780 8.470 1.00 0.00 C ATOM 1059 O SER A 69 3.661 7.351 9.432 1.00 0.00 O ATOM 1060 CB SER A 69 3.083 9.027 7.373 1.00 0.00 C ATOM 1061 OG SER A 69 3.275 9.693 6.137 1.00 0.00 O ATOM 0 H SER A 69 1.508 6.808 5.756 1.00 0.00 H new ATOM 0 HA SER A 69 3.597 7.171 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.214 9.444 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.944 9.198 8.019 1.00 0.00 H new ATOM 0 HG SER A 69 3.397 10.652 6.298 1.00 0.00 H new ATOM 1067 N SER A 70 2.788 5.500 8.496 1.00 0.00 N ATOM 1068 CA SER A 70 2.979 4.676 9.684 1.00 0.00 C ATOM 1069 C SER A 70 3.946 3.531 9.401 1.00 0.00 C ATOM 1070 O SER A 70 4.016 3.025 8.282 1.00 0.00 O ATOM 1071 CB SER A 70 1.638 4.120 10.166 1.00 0.00 C ATOM 1072 OG SER A 70 1.822 3.178 11.209 1.00 0.00 O ATOM 0 H SER A 70 2.363 5.011 7.708 1.00 0.00 H new ATOM 0 HA SER A 70 3.406 5.303 10.467 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.007 4.937 10.516 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.116 3.648 9.334 1.00 0.00 H new ATOM 0 HG SER A 70 0.950 2.839 11.501 1.00 0.00 H new ATOM 1078 N GLY A 71 4.691 3.126 10.426 1.00 0.00 N ATOM 1079 CA GLY A 71 5.645 2.044 10.268 1.00 0.00 C ATOM 1080 C GLY A 71 5.211 0.780 10.985 1.00 0.00 C ATOM 1081 O GLY A 71 4.989 0.791 12.195 1.00 0.00 O ATOM 0 H GLY A 71 4.650 3.528 11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.775 1.830 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.615 2.360 10.651 1.00 0.00 H new TER 1085 GLY A 71