USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 29 ASN : amide:sc= -0.421 K(o=-3.3,f=-5.5!) USER MOD Set 1.2: A 36 GLN : amide:sc= -2.86! X(o=-3.3!,f=-3.2) USER MOD Set 2.1: A 25 TYR OH : rot -155:sc= 0.173 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -132:sc= 0.0923 (180deg=0) 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 19:sc= 0.181 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 13:sc= 0.744 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00607 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.189 F(o=-4.1!,f=-0.19) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.324 F(o=-1.6!,f=-0.32) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0833 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00388) USER MOD Single : A 40 MET CE :methyl -153:sc= -2.86 (180deg=-4.31!) USER MOD Single : A 44 SER OG : rot -64:sc= 0.0655 USER MOD Single : A 48 GLN : amide:sc= -0.991 X(o=-0.99,f=-0.6) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.042) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 85:sc= 0.474 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.18 X(o=-2.2,f=-2.4) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.263 -12.132 -23.939 1.00 0.00 N ATOM 2 CA GLY A 1 23.046 -11.760 -22.554 1.00 0.00 C ATOM 3 C GLY A 1 21.667 -11.177 -22.319 1.00 0.00 C ATOM 4 O GLY A 1 21.320 -10.139 -22.882 1.00 0.00 O ATOM 0 H1 GLY A 1 24.220 -12.525 -24.047 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.561 -12.846 -24.221 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.164 -11.292 -24.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.179 -12.637 -21.920 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.800 -11.033 -22.254 1.00 0.00 H new ATOM 8 N SER A 2 20.877 -11.847 -21.486 1.00 0.00 N ATOM 9 CA SER A 2 19.525 -11.392 -21.182 1.00 0.00 C ATOM 10 C SER A 2 19.495 -9.882 -20.970 1.00 0.00 C ATOM 11 O SER A 2 18.604 -9.192 -21.465 1.00 0.00 O ATOM 12 CB SER A 2 18.993 -12.104 -19.936 1.00 0.00 C ATOM 13 OG SER A 2 18.847 -13.494 -20.167 1.00 0.00 O ATOM 0 H SER A 2 21.150 -12.707 -21.010 1.00 0.00 H new ATOM 0 HA SER A 2 18.887 -11.635 -22.031 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.674 -11.940 -19.101 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.032 -11.676 -19.651 1.00 0.00 H new ATOM 0 HG SER A 2 18.507 -13.927 -19.356 1.00 0.00 H new ATOM 19 N SER A 3 20.476 -9.374 -20.231 1.00 0.00 N ATOM 20 CA SER A 3 20.561 -7.946 -19.950 1.00 0.00 C ATOM 21 C SER A 3 20.284 -7.127 -21.207 1.00 0.00 C ATOM 22 O SER A 3 20.835 -7.399 -22.272 1.00 0.00 O ATOM 23 CB SER A 3 21.942 -7.595 -19.394 1.00 0.00 C ATOM 24 OG SER A 3 22.960 -7.878 -20.339 1.00 0.00 O ATOM 0 H SER A 3 21.223 -9.931 -19.816 1.00 0.00 H new ATOM 0 HA SER A 3 19.804 -7.703 -19.204 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.972 -6.538 -19.128 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.123 -8.160 -18.479 1.00 0.00 H new ATOM 0 HG SER A 3 22.565 -7.955 -21.232 1.00 0.00 H new ATOM 30 N GLY A 4 19.423 -6.122 -21.073 1.00 0.00 N ATOM 31 CA GLY A 4 19.087 -5.279 -22.205 1.00 0.00 C ATOM 32 C GLY A 4 18.432 -3.978 -21.785 1.00 0.00 C ATOM 33 O GLY A 4 19.116 -3.010 -21.451 1.00 0.00 O ATOM 0 H GLY A 4 18.953 -5.877 -20.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.992 -5.060 -22.772 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.416 -5.821 -22.871 1.00 0.00 H new ATOM 37 N SER A 5 17.103 -3.954 -21.802 1.00 0.00 N ATOM 38 CA SER A 5 16.355 -2.760 -21.424 1.00 0.00 C ATOM 39 C SER A 5 15.207 -3.113 -20.484 1.00 0.00 C ATOM 40 O SER A 5 14.796 -4.270 -20.395 1.00 0.00 O ATOM 41 CB SER A 5 15.811 -2.058 -22.670 1.00 0.00 C ATOM 42 OG SER A 5 14.763 -2.807 -23.261 1.00 0.00 O ATOM 0 H SER A 5 16.522 -4.747 -22.073 1.00 0.00 H new ATOM 0 HA SER A 5 17.034 -2.086 -20.903 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.447 -1.066 -22.403 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.615 -1.919 -23.393 1.00 0.00 H new ATOM 0 HG SER A 5 14.431 -2.336 -24.054 1.00 0.00 H new ATOM 48 N SER A 6 14.694 -2.107 -19.783 1.00 0.00 N ATOM 49 CA SER A 6 13.596 -2.310 -18.845 1.00 0.00 C ATOM 50 C SER A 6 12.841 -1.007 -18.603 1.00 0.00 C ATOM 51 O SER A 6 13.425 0.076 -18.625 1.00 0.00 O ATOM 52 CB SER A 6 14.124 -2.861 -17.520 1.00 0.00 C ATOM 53 OG SER A 6 14.486 -4.226 -17.642 1.00 0.00 O ATOM 0 H SER A 6 15.021 -1.143 -19.847 1.00 0.00 H new ATOM 0 HA SER A 6 12.907 -3.033 -19.281 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.989 -2.280 -17.200 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.362 -2.751 -16.748 1.00 0.00 H new ATOM 0 HG SER A 6 14.517 -4.473 -18.590 1.00 0.00 H new ATOM 59 N GLY A 7 11.536 -1.120 -18.370 1.00 0.00 N ATOM 60 CA GLY A 7 10.721 0.056 -18.127 1.00 0.00 C ATOM 61 C GLY A 7 9.439 0.050 -18.936 1.00 0.00 C ATOM 62 O GLY A 7 9.322 0.764 -19.932 1.00 0.00 O ATOM 0 H GLY A 7 11.029 -2.005 -18.345 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.477 0.112 -17.066 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.296 0.949 -18.370 1.00 0.00 H new ATOM 66 N LYS A 8 8.476 -0.759 -18.509 1.00 0.00 N ATOM 67 CA LYS A 8 7.196 -0.856 -19.201 1.00 0.00 C ATOM 68 C LYS A 8 6.094 -0.162 -18.406 1.00 0.00 C ATOM 69 O LYS A 8 6.321 0.305 -17.289 1.00 0.00 O ATOM 70 CB LYS A 8 6.826 -2.323 -19.430 1.00 0.00 C ATOM 71 CG LYS A 8 7.344 -2.882 -20.744 1.00 0.00 C ATOM 72 CD LYS A 8 7.043 -4.366 -20.875 1.00 0.00 C ATOM 73 CE LYS A 8 5.559 -4.618 -21.090 1.00 0.00 C ATOM 74 NZ LYS A 8 5.314 -5.870 -21.857 1.00 0.00 N ATOM 0 H LYS A 8 8.557 -1.357 -17.687 1.00 0.00 H new ATOM 0 HA LYS A 8 7.294 -0.357 -20.165 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.221 -2.921 -18.609 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.741 -2.424 -19.404 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.889 -2.343 -21.575 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.420 -2.721 -20.810 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.608 -4.780 -21.710 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.375 -4.886 -19.976 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.058 -4.680 -20.124 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.121 -3.774 -21.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.291 -6.006 -21.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.771 -5.801 -22.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.709 -6.679 -21.337 1.00 0.00 H new ATOM 88 N ARG A 9 4.901 -0.098 -18.988 1.00 0.00 N ATOM 89 CA ARG A 9 3.765 0.539 -18.333 1.00 0.00 C ATOM 90 C ARG A 9 2.843 -0.504 -17.708 1.00 0.00 C ATOM 91 O ARG A 9 2.759 -1.646 -18.161 1.00 0.00 O ATOM 92 CB ARG A 9 2.983 1.390 -19.336 1.00 0.00 C ATOM 93 CG ARG A 9 2.150 0.573 -20.309 1.00 0.00 C ATOM 94 CD ARG A 9 2.999 0.023 -21.444 1.00 0.00 C ATOM 95 NE ARG A 9 2.220 -0.184 -22.661 1.00 0.00 N ATOM 96 CZ ARG A 9 2.707 -0.750 -23.759 1.00 0.00 C ATOM 97 NH1 ARG A 9 3.966 -1.165 -23.792 1.00 0.00 N ATOM 98 NH2 ARG A 9 1.935 -0.903 -24.828 1.00 0.00 N ATOM 0 H ARG A 9 4.696 -0.479 -19.912 1.00 0.00 H new ATOM 0 HA ARG A 9 4.148 1.182 -17.541 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.327 2.069 -18.790 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.683 2.007 -19.899 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.672 -0.251 -19.778 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.353 1.194 -20.717 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.818 0.712 -21.651 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.448 -0.921 -21.136 1.00 0.00 H new ATOM 0 HE ARG A 9 1.247 0.123 -22.668 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.563 -1.050 -22.973 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.338 -1.600 -24.637 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.966 -0.586 -24.807 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.311 -1.338 -25.671 1.00 0.00 H new ATOM 112 N PRO A 10 2.135 -0.104 -16.641 1.00 0.00 N ATOM 113 CA PRO A 10 1.206 -0.989 -15.931 1.00 0.00 C ATOM 114 C PRO A 10 -0.034 -1.311 -16.757 1.00 0.00 C ATOM 115 O PRO A 10 -0.663 -0.418 -17.324 1.00 0.00 O ATOM 116 CB PRO A 10 0.826 -0.180 -14.688 1.00 0.00 C ATOM 117 CG PRO A 10 1.029 1.242 -15.085 1.00 0.00 C ATOM 118 CD PRO A 10 2.185 1.242 -16.047 1.00 0.00 C ATOM 0 HA PRO A 10 1.656 -1.956 -15.706 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.207 -0.366 -14.395 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.451 -0.446 -13.836 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.132 1.649 -15.552 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.245 1.863 -14.216 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.078 2.019 -16.804 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.132 1.421 -15.537 1.00 0.00 H new ATOM 126 N ARG A 11 -0.381 -2.593 -16.820 1.00 0.00 N ATOM 127 CA ARG A 11 -1.546 -3.033 -17.577 1.00 0.00 C ATOM 128 C ARG A 11 -2.792 -3.049 -16.697 1.00 0.00 C ATOM 129 O ARG A 11 -3.762 -2.337 -16.960 1.00 0.00 O ATOM 130 CB ARG A 11 -1.304 -4.425 -18.164 1.00 0.00 C ATOM 131 CG ARG A 11 -2.050 -4.676 -19.464 1.00 0.00 C ATOM 132 CD ARG A 11 -3.543 -4.844 -19.227 1.00 0.00 C ATOM 133 NE ARG A 11 -4.214 -5.448 -20.374 1.00 0.00 N ATOM 134 CZ ARG A 11 -4.045 -6.713 -20.743 1.00 0.00 C ATOM 135 NH1 ARG A 11 -3.230 -7.503 -20.058 1.00 0.00 N ATOM 136 NH2 ARG A 11 -4.692 -7.190 -21.799 1.00 0.00 N ATOM 0 H ARG A 11 0.129 -3.345 -16.356 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.707 -2.326 -18.391 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.236 -4.556 -18.337 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.603 -5.176 -17.432 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.881 -3.845 -20.148 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.654 -5.570 -19.945 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.703 -5.465 -18.345 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.988 -3.872 -19.017 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.848 -4.867 -20.923 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.731 -7.140 -19.246 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.102 -8.474 -20.343 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.320 -6.585 -22.328 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.561 -8.161 -22.081 1.00 0.00 H new ATOM 150 N THR A 12 -2.760 -3.868 -15.650 1.00 0.00 N ATOM 151 CA THR A 12 -3.886 -3.979 -14.731 1.00 0.00 C ATOM 152 C THR A 12 -3.880 -2.844 -13.714 1.00 0.00 C ATOM 153 O THR A 12 -3.007 -2.778 -12.849 1.00 0.00 O ATOM 154 CB THR A 12 -3.869 -5.325 -13.982 1.00 0.00 C ATOM 155 OG1 THR A 12 -3.816 -6.406 -14.919 1.00 0.00 O ATOM 156 CG2 THR A 12 -5.102 -5.470 -13.102 1.00 0.00 C ATOM 0 H THR A 12 -1.966 -4.464 -15.418 1.00 0.00 H new ATOM 0 HA THR A 12 -4.793 -3.918 -15.333 1.00 0.00 H new ATOM 0 HB THR A 12 -2.984 -5.351 -13.347 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.804 -7.258 -14.435 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.068 -6.428 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.124 -4.662 -12.371 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.998 -5.424 -13.721 1.00 0.00 H new ATOM 164 N ARG A 13 -4.860 -1.953 -13.823 1.00 0.00 N ATOM 165 CA ARG A 13 -4.967 -0.820 -12.912 1.00 0.00 C ATOM 166 C ARG A 13 -5.118 -1.294 -11.469 1.00 0.00 C ATOM 167 O ARG A 13 -5.905 -2.197 -11.182 1.00 0.00 O ATOM 168 CB ARG A 13 -6.157 0.061 -13.297 1.00 0.00 C ATOM 169 CG ARG A 13 -6.395 1.217 -12.339 1.00 0.00 C ATOM 170 CD ARG A 13 -7.262 2.295 -12.970 1.00 0.00 C ATOM 171 NE ARG A 13 -7.960 3.093 -11.966 1.00 0.00 N ATOM 172 CZ ARG A 13 -9.000 3.873 -12.241 1.00 0.00 C ATOM 173 NH1 ARG A 13 -9.459 3.959 -13.482 1.00 0.00 N ATOM 174 NH2 ARG A 13 -9.583 4.569 -11.273 1.00 0.00 N ATOM 0 H ARG A 13 -5.591 -1.994 -14.533 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.050 -0.236 -12.991 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.995 0.458 -14.299 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.055 -0.555 -13.340 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.875 0.847 -11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.439 1.646 -12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.640 2.947 -13.583 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.990 1.831 -13.635 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.631 3.049 -11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.014 3.426 -14.229 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.258 4.559 -13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.233 4.505 -10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.381 5.168 -11.485 1.00 0.00 H new ATOM 188 N ILE A 14 -4.360 -0.680 -10.567 1.00 0.00 N ATOM 189 CA ILE A 14 -4.411 -1.039 -9.156 1.00 0.00 C ATOM 190 C ILE A 14 -5.689 -0.524 -8.502 1.00 0.00 C ATOM 191 O ILE A 14 -6.101 0.614 -8.730 1.00 0.00 O ATOM 192 CB ILE A 14 -3.196 -0.483 -8.390 1.00 0.00 C ATOM 193 CG1 ILE A 14 -1.895 -0.974 -9.028 1.00 0.00 C ATOM 194 CG2 ILE A 14 -3.261 -0.891 -6.925 1.00 0.00 C ATOM 195 CD1 ILE A 14 -0.685 -0.152 -8.642 1.00 0.00 C ATOM 0 H ILE A 14 -3.703 0.068 -10.789 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.395 -2.128 -9.107 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.218 0.605 -8.445 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.727 -2.011 -8.739 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.003 -0.959 -10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.396 -0.491 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.173 -0.497 -6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.261 -1.978 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.201 -0.557 -9.131 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.832 0.881 -8.956 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.551 -0.187 -7.561 1.00 0.00 H new ATOM 207 N THR A 15 -6.312 -1.368 -7.687 1.00 0.00 N ATOM 208 CA THR A 15 -7.543 -0.999 -6.999 1.00 0.00 C ATOM 209 C THR A 15 -7.249 -0.414 -5.622 1.00 0.00 C ATOM 210 O THR A 15 -6.247 -0.756 -4.993 1.00 0.00 O ATOM 211 CB THR A 15 -8.483 -2.208 -6.841 1.00 0.00 C ATOM 212 OG1 THR A 15 -8.190 -2.900 -5.621 1.00 0.00 O ATOM 213 CG2 THR A 15 -8.340 -3.162 -8.017 1.00 0.00 C ATOM 0 H THR A 15 -5.984 -2.313 -7.487 1.00 0.00 H new ATOM 0 HA THR A 15 -8.034 -0.245 -7.614 1.00 0.00 H new ATOM 0 HB THR A 15 -9.509 -1.841 -6.814 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.793 -3.667 -5.527 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.014 -4.008 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.591 -2.641 -8.941 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.312 -3.521 -8.071 1.00 0.00 H new ATOM 221 N ASP A 16 -8.128 0.468 -5.159 1.00 0.00 N ATOM 222 CA ASP A 16 -7.964 1.099 -3.855 1.00 0.00 C ATOM 223 C ASP A 16 -7.736 0.051 -2.769 1.00 0.00 C ATOM 224 O ASP A 16 -6.967 0.270 -1.833 1.00 0.00 O ATOM 225 CB ASP A 16 -9.192 1.945 -3.515 1.00 0.00 C ATOM 226 CG ASP A 16 -9.757 2.658 -4.728 1.00 0.00 C ATOM 227 OD1 ASP A 16 -8.961 3.214 -5.514 1.00 0.00 O ATOM 228 OD2 ASP A 16 -10.995 2.660 -4.891 1.00 0.00 O ATOM 0 H ASP A 16 -8.962 0.762 -5.668 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.088 1.746 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.961 1.306 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.924 2.681 -2.757 1.00 0.00 H new ATOM 233 N ASP A 17 -8.410 -1.085 -2.901 1.00 0.00 N ATOM 234 CA ASP A 17 -8.282 -2.167 -1.931 1.00 0.00 C ATOM 235 C ASP A 17 -6.889 -2.787 -1.990 1.00 0.00 C ATOM 236 O ASP A 17 -6.405 -3.342 -1.004 1.00 0.00 O ATOM 237 CB ASP A 17 -9.342 -3.239 -2.188 1.00 0.00 C ATOM 238 CG ASP A 17 -10.704 -2.647 -2.490 1.00 0.00 C ATOM 239 OD1 ASP A 17 -11.351 -2.136 -1.552 1.00 0.00 O ATOM 240 OD2 ASP A 17 -11.123 -2.692 -3.666 1.00 0.00 O ATOM 0 H ASP A 17 -9.051 -1.281 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.433 -1.749 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.027 -3.864 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.417 -3.888 -1.316 1.00 0.00 H new ATOM 245 N GLN A 18 -6.251 -2.687 -3.151 1.00 0.00 N ATOM 246 CA GLN A 18 -4.915 -3.240 -3.338 1.00 0.00 C ATOM 247 C GLN A 18 -3.846 -2.229 -2.934 1.00 0.00 C ATOM 248 O GLN A 18 -2.821 -2.591 -2.356 1.00 0.00 O ATOM 249 CB GLN A 18 -4.712 -3.659 -4.795 1.00 0.00 C ATOM 250 CG GLN A 18 -5.499 -4.900 -5.186 1.00 0.00 C ATOM 251 CD GLN A 18 -5.465 -5.166 -6.678 1.00 0.00 C ATOM 252 OE1 GLN A 18 -4.439 -4.655 -7.348 1.00 0.00 O flip ATOM 253 NE2 GLN A 18 -6.353 -5.823 -7.223 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.637 -2.228 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.820 -4.118 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.003 -2.834 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.651 -3.842 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.095 -5.763 -4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.534 -4.785 -4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.124 -6.197 -6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.318 -5.993 -8.228 1.00 0.00 H new ATOM 262 N LEU A 19 -4.093 -0.961 -3.242 1.00 0.00 N ATOM 263 CA LEU A 19 -3.152 0.104 -2.912 1.00 0.00 C ATOM 264 C LEU A 19 -2.970 0.221 -1.402 1.00 0.00 C ATOM 265 O LEU A 19 -1.850 0.149 -0.894 1.00 0.00 O ATOM 266 CB LEU A 19 -3.638 1.437 -3.483 1.00 0.00 C ATOM 267 CG LEU A 19 -2.730 2.643 -3.238 1.00 0.00 C ATOM 268 CD1 LEU A 19 -1.390 2.453 -3.932 1.00 0.00 C ATOM 269 CD2 LEU A 19 -3.403 3.922 -3.715 1.00 0.00 C ATOM 0 H LEU A 19 -4.937 -0.645 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.189 -0.145 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.773 1.321 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.619 1.654 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.551 2.727 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.758 3.321 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.902 1.559 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.548 2.342 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.743 4.770 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.612 3.847 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.337 4.066 -3.172 1.00 0.00 H new ATOM 281 N ARG A 20 -4.078 0.398 -0.690 1.00 0.00 N ATOM 282 CA ARG A 20 -4.041 0.523 0.762 1.00 0.00 C ATOM 283 C ARG A 20 -3.026 -0.443 1.366 1.00 0.00 C ATOM 284 O ARG A 20 -2.305 -0.099 2.303 1.00 0.00 O ATOM 285 CB ARG A 20 -5.427 0.259 1.354 1.00 0.00 C ATOM 286 CG ARG A 20 -5.781 -1.216 1.439 1.00 0.00 C ATOM 287 CD ARG A 20 -7.200 -1.419 1.948 1.00 0.00 C ATOM 288 NE ARG A 20 -7.711 -2.750 1.628 1.00 0.00 N ATOM 289 CZ ARG A 20 -7.334 -3.854 2.264 1.00 0.00 C ATOM 290 NH1 ARG A 20 -6.449 -3.787 3.249 1.00 0.00 N ATOM 291 NH2 ARG A 20 -7.844 -5.028 1.916 1.00 0.00 N ATOM 0 H ARG A 20 -5.012 0.458 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.737 1.541 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.475 0.694 2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.175 0.769 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.677 -1.674 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.079 -1.722 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.222 -1.272 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.854 -0.665 1.510 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.394 -2.836 0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.055 -2.886 3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.162 -4.636 3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.526 -5.084 1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.554 -5.875 2.405 1.00 0.00 H new ATOM 305 N VAL A 21 -2.975 -1.655 0.823 1.00 0.00 N ATOM 306 CA VAL A 21 -2.049 -2.672 1.307 1.00 0.00 C ATOM 307 C VAL A 21 -0.602 -2.234 1.111 1.00 0.00 C ATOM 308 O VAL A 21 0.245 -2.444 1.981 1.00 0.00 O ATOM 309 CB VAL A 21 -2.268 -4.018 0.590 1.00 0.00 C ATOM 310 CG1 VAL A 21 -1.197 -5.019 0.995 1.00 0.00 C ATOM 311 CG2 VAL A 21 -3.657 -4.560 0.889 1.00 0.00 C ATOM 0 H VAL A 21 -3.564 -1.957 0.047 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.247 -2.800 2.371 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.190 -3.855 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.368 -5.964 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.215 -4.630 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.239 -5.181 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.795 -5.511 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.766 -4.709 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.407 -3.849 0.544 1.00 0.00 H new ATOM 321 N LEU A 22 -0.324 -1.624 -0.035 1.00 0.00 N ATOM 322 CA LEU A 22 1.022 -1.155 -0.345 1.00 0.00 C ATOM 323 C LEU A 22 1.368 0.087 0.470 1.00 0.00 C ATOM 324 O LEU A 22 2.514 0.273 0.881 1.00 0.00 O ATOM 325 CB LEU A 22 1.145 -0.848 -1.839 1.00 0.00 C ATOM 326 CG LEU A 22 0.490 -1.853 -2.787 1.00 0.00 C ATOM 327 CD1 LEU A 22 0.364 -1.266 -4.184 1.00 0.00 C ATOM 328 CD2 LEU A 22 1.286 -3.150 -2.821 1.00 0.00 C ATOM 0 H LEU A 22 -1.012 -1.442 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 22 1.724 -1.946 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.709 0.134 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.204 -0.779 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.511 -2.074 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.104 -1.996 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.248 -0.365 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.354 -1.016 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.806 -3.854 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.299 -2.946 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.324 -3.580 -1.820 1.00 0.00 H new ATOM 340 N ARG A 23 0.369 0.932 0.703 1.00 0.00 N ATOM 341 CA ARG A 23 0.567 2.155 1.471 1.00 0.00 C ATOM 342 C ARG A 23 0.842 1.838 2.938 1.00 0.00 C ATOM 343 O ARG A 23 1.740 2.416 3.550 1.00 0.00 O ATOM 344 CB ARG A 23 -0.661 3.060 1.356 1.00 0.00 C ATOM 345 CG ARG A 23 -0.645 3.954 0.126 1.00 0.00 C ATOM 346 CD ARG A 23 0.039 5.281 0.411 1.00 0.00 C ATOM 347 NE ARG A 23 1.479 5.217 0.173 1.00 0.00 N ATOM 348 CZ ARG A 23 2.225 6.279 -0.109 1.00 0.00 C ATOM 349 NH1 ARG A 23 1.671 7.481 -0.187 1.00 0.00 N ATOM 350 NH2 ARG A 23 3.529 6.140 -0.312 1.00 0.00 N ATOM 0 H ARG A 23 -0.585 0.792 0.371 1.00 0.00 H new ATOM 0 HA ARG A 23 1.433 2.675 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.558 2.441 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.727 3.684 2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.129 3.445 -0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.667 4.134 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.398 6.057 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.145 5.569 1.446 1.00 0.00 H new ATOM 0 HE ARG A 23 1.936 4.307 0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.669 7.592 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.247 8.295 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.959 5.217 -0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.101 6.956 -0.529 1.00 0.00 H new ATOM 364 N GLN A 24 0.062 0.917 3.495 1.00 0.00 N ATOM 365 CA GLN A 24 0.221 0.524 4.890 1.00 0.00 C ATOM 366 C GLN A 24 1.663 0.119 5.181 1.00 0.00 C ATOM 367 O GLN A 24 2.243 0.531 6.186 1.00 0.00 O ATOM 368 CB GLN A 24 -0.724 -0.630 5.228 1.00 0.00 C ATOM 369 CG GLN A 24 -2.194 -0.245 5.187 1.00 0.00 C ATOM 370 CD GLN A 24 -2.699 0.273 6.520 1.00 0.00 C ATOM 371 OE1 GLN A 24 -1.944 0.856 7.299 1.00 0.00 O ATOM 372 NE2 GLN A 24 -3.982 0.062 6.789 1.00 0.00 N ATOM 0 H GLN A 24 -0.686 0.429 3.002 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.029 1.382 5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.551 -1.447 4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.483 -1.006 6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.345 0.519 4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.785 -1.112 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.571 -0.426 6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.379 0.388 7.671 1.00 0.00 H new ATOM 381 N TYR A 25 2.234 -0.690 4.296 1.00 0.00 N ATOM 382 CA TYR A 25 3.607 -1.154 4.459 1.00 0.00 C ATOM 383 C TYR A 25 4.588 0.012 4.382 1.00 0.00 C ATOM 384 O TYR A 25 5.630 0.005 5.037 1.00 0.00 O ATOM 385 CB TYR A 25 3.947 -2.193 3.389 1.00 0.00 C ATOM 386 CG TYR A 25 3.503 -3.594 3.744 1.00 0.00 C ATOM 387 CD1 TYR A 25 2.154 -3.906 3.869 1.00 0.00 C ATOM 388 CD2 TYR A 25 4.431 -4.607 3.954 1.00 0.00 C ATOM 389 CE1 TYR A 25 1.744 -5.185 4.194 1.00 0.00 C ATOM 390 CE2 TYR A 25 4.030 -5.888 4.277 1.00 0.00 C ATOM 391 CZ TYR A 25 2.685 -6.172 4.396 1.00 0.00 C ATOM 392 OH TYR A 25 2.281 -7.448 4.719 1.00 0.00 O ATOM 0 H TYR A 25 1.768 -1.038 3.458 1.00 0.00 H new ATOM 0 HA TYR A 25 3.694 -1.614 5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.480 -1.900 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.024 -2.193 3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.414 -3.136 3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.485 -4.388 3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.692 -5.410 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.765 -6.663 4.436 1.00 0.00 H new ATOM 0 HH TYR A 25 2.999 -7.906 5.203 1.00 0.00 H new ATOM 402 N PHE A 26 4.246 1.012 3.577 1.00 0.00 N ATOM 403 CA PHE A 26 5.096 2.186 3.413 1.00 0.00 C ATOM 404 C PHE A 26 5.516 2.747 4.768 1.00 0.00 C ATOM 405 O PHE A 26 6.698 2.994 5.010 1.00 0.00 O ATOM 406 CB PHE A 26 4.365 3.262 2.607 1.00 0.00 C ATOM 407 CG PHE A 26 5.289 4.227 1.920 1.00 0.00 C ATOM 408 CD1 PHE A 26 6.068 3.817 0.850 1.00 0.00 C ATOM 409 CD2 PHE A 26 5.377 5.543 2.344 1.00 0.00 C ATOM 410 CE1 PHE A 26 6.919 4.703 0.215 1.00 0.00 C ATOM 411 CE2 PHE A 26 6.226 6.433 1.713 1.00 0.00 C ATOM 412 CZ PHE A 26 6.999 6.012 0.648 1.00 0.00 C ATOM 0 H PHE A 26 3.387 1.033 3.028 1.00 0.00 H new ATOM 0 HA PHE A 26 5.992 1.882 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.735 2.780 1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.703 3.816 3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.010 2.794 0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.776 5.877 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.520 4.372 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.285 7.457 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.664 6.705 0.155 1.00 0.00 H new ATOM 422 N ASP A 27 4.541 2.946 5.648 1.00 0.00 N ATOM 423 CA ASP A 27 4.809 3.477 6.979 1.00 0.00 C ATOM 424 C ASP A 27 5.794 2.588 7.731 1.00 0.00 C ATOM 425 O ASP A 27 6.860 3.041 8.149 1.00 0.00 O ATOM 426 CB ASP A 27 3.507 3.602 7.773 1.00 0.00 C ATOM 427 CG ASP A 27 2.769 4.892 7.474 1.00 0.00 C ATOM 428 OD1 ASP A 27 3.422 5.863 7.036 1.00 0.00 O ATOM 429 OD2 ASP A 27 1.537 4.931 7.677 1.00 0.00 O ATOM 0 H ASP A 27 3.558 2.747 5.463 1.00 0.00 H new ATOM 0 HA ASP A 27 5.253 4.466 6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.861 2.755 7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.729 3.552 8.839 1.00 0.00 H new ATOM 434 N ILE A 28 5.430 1.321 7.901 1.00 0.00 N ATOM 435 CA ILE A 28 6.281 0.369 8.602 1.00 0.00 C ATOM 436 C ILE A 28 7.718 0.439 8.095 1.00 0.00 C ATOM 437 O ILE A 28 8.649 0.660 8.867 1.00 0.00 O ATOM 438 CB ILE A 28 5.763 -1.072 8.446 1.00 0.00 C ATOM 439 CG1 ILE A 28 4.434 -1.243 9.184 1.00 0.00 C ATOM 440 CG2 ILE A 28 6.793 -2.065 8.962 1.00 0.00 C ATOM 441 CD1 ILE A 28 3.224 -0.936 8.330 1.00 0.00 C ATOM 0 H ILE A 28 4.551 0.931 7.562 1.00 0.00 H new ATOM 0 HA ILE A 28 6.256 0.642 9.657 1.00 0.00 H new ATOM 0 HB ILE A 28 5.597 -1.269 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.360 -2.267 9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.427 -0.591 10.058 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.411 -3.079 8.845 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.718 -1.957 8.395 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.989 -1.871 10.017 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.318 -1.078 8.919 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.274 0.097 7.986 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.207 -1.605 7.470 1.00 0.00 H new ATOM 453 N ASN A 29 7.888 0.250 6.790 1.00 0.00 N ATOM 454 CA ASN A 29 9.212 0.292 6.179 1.00 0.00 C ATOM 455 C ASN A 29 9.155 0.953 4.805 1.00 0.00 C ATOM 456 O ASN A 29 8.331 0.593 3.965 1.00 0.00 O ATOM 457 CB ASN A 29 9.784 -1.121 6.054 1.00 0.00 C ATOM 458 CG ASN A 29 8.731 -2.139 5.661 1.00 0.00 C ATOM 459 OD1 ASN A 29 7.662 -1.783 5.166 1.00 0.00 O ATOM 460 ND2 ASN A 29 9.030 -3.414 5.880 1.00 0.00 N ATOM 0 H ASN A 29 7.127 0.067 6.136 1.00 0.00 H new ATOM 0 HA ASN A 29 9.863 0.884 6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.582 -1.123 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.232 -1.414 7.004 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.361 -4.144 5.635 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.929 -3.663 6.293 1.00 0.00 H new ATOM 467 N ASN A 30 10.037 1.922 4.583 1.00 0.00 N ATOM 468 CA ASN A 30 10.088 2.633 3.311 1.00 0.00 C ATOM 469 C ASN A 30 9.737 1.703 2.153 1.00 0.00 C ATOM 470 O ASN A 30 8.677 1.831 1.540 1.00 0.00 O ATOM 471 CB ASN A 30 11.478 3.234 3.093 1.00 0.00 C ATOM 472 CG ASN A 30 12.092 3.751 4.380 1.00 0.00 C ATOM 473 OD1 ASN A 30 11.257 4.296 5.257 1.00 0.00 O flip ATOM 474 ND2 ASN A 30 13.303 3.661 4.583 1.00 0.00 N flip ATOM 0 H ASN A 30 10.726 2.233 5.268 1.00 0.00 H new ATOM 0 HA ASN A 30 9.353 3.437 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.133 2.479 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.410 4.049 2.373 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.908 3.234 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.702 4.013 5.453 1.00 0.00 H new ATOM 481 N SER A 31 10.634 0.767 1.860 1.00 0.00 N ATOM 482 CA SER A 31 10.421 -0.182 0.774 1.00 0.00 C ATOM 483 C SER A 31 10.341 -1.609 1.308 1.00 0.00 C ATOM 484 O SER A 31 11.035 -1.986 2.253 1.00 0.00 O ATOM 485 CB SER A 31 11.547 -0.073 -0.255 1.00 0.00 C ATOM 486 OG SER A 31 11.908 1.279 -0.476 1.00 0.00 O ATOM 0 H SER A 31 11.515 0.646 2.360 1.00 0.00 H new ATOM 0 HA SER A 31 9.474 0.061 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.416 -0.632 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.230 -0.526 -1.194 1.00 0.00 H new ATOM 0 HG SER A 31 12.631 1.321 -1.136 1.00 0.00 H new ATOM 492 N PRO A 32 9.473 -2.424 0.690 1.00 0.00 N ATOM 493 CA PRO A 32 9.281 -3.822 1.085 1.00 0.00 C ATOM 494 C PRO A 32 10.488 -4.691 0.747 1.00 0.00 C ATOM 495 O PRO A 32 11.354 -4.292 -0.031 1.00 0.00 O ATOM 496 CB PRO A 32 8.063 -4.258 0.266 1.00 0.00 C ATOM 497 CG PRO A 32 8.062 -3.357 -0.921 1.00 0.00 C ATOM 498 CD PRO A 32 8.613 -2.042 -0.443 1.00 0.00 C ATOM 0 HA PRO A 32 9.148 -3.926 2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.140 -5.304 -0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.142 -4.156 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.674 -3.768 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.054 -3.237 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.179 -1.536 -1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.819 -1.362 -0.134 1.00 0.00 H new ATOM 506 N SER A 33 10.538 -5.881 1.337 1.00 0.00 N ATOM 507 CA SER A 33 11.641 -6.805 1.100 1.00 0.00 C ATOM 508 C SER A 33 11.172 -8.017 0.301 1.00 0.00 C ATOM 509 O SER A 33 9.998 -8.383 0.339 1.00 0.00 O ATOM 510 CB SER A 33 12.246 -7.261 2.430 1.00 0.00 C ATOM 511 OG SER A 33 11.310 -8.008 3.187 1.00 0.00 O ATOM 0 H SER A 33 9.828 -6.228 1.982 1.00 0.00 H new ATOM 0 HA SER A 33 12.403 -6.282 0.522 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.132 -7.867 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.570 -6.392 3.002 1.00 0.00 H new ATOM 0 HG SER A 33 11.722 -8.289 4.031 1.00 0.00 H new ATOM 517 N GLU A 34 12.100 -8.635 -0.424 1.00 0.00 N ATOM 518 CA GLU A 34 11.782 -9.805 -1.234 1.00 0.00 C ATOM 519 C GLU A 34 10.725 -10.668 -0.552 1.00 0.00 C ATOM 520 O GLU A 34 9.913 -11.312 -1.215 1.00 0.00 O ATOM 521 CB GLU A 34 13.043 -10.632 -1.492 1.00 0.00 C ATOM 522 CG GLU A 34 13.910 -10.087 -2.614 1.00 0.00 C ATOM 523 CD GLU A 34 13.362 -10.420 -3.989 1.00 0.00 C ATOM 524 OE1 GLU A 34 12.239 -9.973 -4.303 1.00 0.00 O ATOM 525 OE2 GLU A 34 14.056 -11.126 -4.750 1.00 0.00 O ATOM 0 H GLU A 34 13.077 -8.345 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 34 11.383 -9.458 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.633 -10.674 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.753 -11.655 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.992 -9.005 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.917 -10.493 -2.520 1.00 0.00 H new ATOM 532 N GLU A 35 10.743 -10.676 0.778 1.00 0.00 N ATOM 533 CA GLU A 35 9.787 -11.461 1.550 1.00 0.00 C ATOM 534 C GLU A 35 8.418 -10.787 1.566 1.00 0.00 C ATOM 535 O GLU A 35 7.399 -11.424 1.298 1.00 0.00 O ATOM 536 CB GLU A 35 10.290 -11.653 2.982 1.00 0.00 C ATOM 537 CG GLU A 35 11.278 -12.798 3.131 1.00 0.00 C ATOM 538 CD GLU A 35 11.336 -13.337 4.548 1.00 0.00 C ATOM 539 OE1 GLU A 35 12.102 -12.783 5.363 1.00 0.00 O ATOM 540 OE2 GLU A 35 10.614 -14.313 4.840 1.00 0.00 O ATOM 0 H GLU A 35 11.409 -10.148 1.342 1.00 0.00 H new ATOM 0 HA GLU A 35 9.687 -12.436 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.762 -10.730 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.437 -11.832 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.001 -13.603 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.270 -12.458 2.835 1.00 0.00 H new ATOM 547 N GLN A 36 8.403 -9.497 1.883 1.00 0.00 N ATOM 548 CA GLN A 36 7.159 -8.738 1.936 1.00 0.00 C ATOM 549 C GLN A 36 6.533 -8.623 0.551 1.00 0.00 C ATOM 550 O GLN A 36 5.330 -8.827 0.384 1.00 0.00 O ATOM 551 CB GLN A 36 7.412 -7.343 2.512 1.00 0.00 C ATOM 552 CG GLN A 36 8.097 -7.361 3.869 1.00 0.00 C ATOM 553 CD GLN A 36 7.112 -7.408 5.020 1.00 0.00 C ATOM 554 OE1 GLN A 36 6.664 -6.372 5.512 1.00 0.00 O ATOM 555 NE2 GLN A 36 6.768 -8.615 5.456 1.00 0.00 N ATOM 0 H GLN A 36 9.238 -8.955 2.107 1.00 0.00 H new ATOM 0 HA GLN A 36 6.465 -9.271 2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.025 -6.776 1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.461 -6.818 2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.758 -8.226 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.723 -6.474 3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.164 -9.447 5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.108 -8.709 6.228 1.00 0.00 H new ATOM 564 N ILE A 37 7.355 -8.294 -0.440 1.00 0.00 N ATOM 565 CA ILE A 37 6.881 -8.152 -1.811 1.00 0.00 C ATOM 566 C ILE A 37 6.171 -9.418 -2.280 1.00 0.00 C ATOM 567 O ILE A 37 5.323 -9.373 -3.172 1.00 0.00 O ATOM 568 CB ILE A 37 8.038 -7.838 -2.777 1.00 0.00 C ATOM 569 CG1 ILE A 37 8.887 -6.687 -2.233 1.00 0.00 C ATOM 570 CG2 ILE A 37 7.498 -7.498 -4.158 1.00 0.00 C ATOM 571 CD1 ILE A 37 9.897 -6.159 -3.228 1.00 0.00 C ATOM 0 H ILE A 37 8.353 -8.121 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 37 6.178 -7.319 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 37 8.670 -8.722 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.229 -5.873 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.412 -7.024 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.328 -7.278 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.932 -8.345 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.847 -6.627 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.463 -5.345 -2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.579 -6.960 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.378 -5.791 -4.113 1.00 0.00 H new ATOM 583 N LYS A 38 6.522 -10.546 -1.673 1.00 0.00 N ATOM 584 CA LYS A 38 5.917 -11.825 -2.025 1.00 0.00 C ATOM 585 C LYS A 38 4.603 -12.030 -1.277 1.00 0.00 C ATOM 586 O LYS A 38 3.569 -12.304 -1.885 1.00 0.00 O ATOM 587 CB LYS A 38 6.880 -12.972 -1.711 1.00 0.00 C ATOM 588 CG LYS A 38 6.714 -14.173 -2.626 1.00 0.00 C ATOM 589 CD LYS A 38 7.392 -13.950 -3.968 1.00 0.00 C ATOM 590 CE LYS A 38 7.254 -15.166 -4.871 1.00 0.00 C ATOM 591 NZ LYS A 38 5.867 -15.314 -5.394 1.00 0.00 N ATOM 0 H LYS A 38 7.223 -10.601 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 38 5.708 -11.817 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.904 -12.607 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.730 -13.289 -0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.135 -15.057 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.653 -14.369 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.954 -13.080 -4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.448 -13.730 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.950 -15.079 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.531 -16.063 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.822 -16.134 -6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.210 -15.456 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.599 -14.455 -5.916 1.00 0.00 H new ATOM 605 N GLU A 39 4.653 -11.895 0.045 1.00 0.00 N ATOM 606 CA GLU A 39 3.466 -12.065 0.874 1.00 0.00 C ATOM 607 C GLU A 39 2.331 -11.167 0.391 1.00 0.00 C ATOM 608 O GLU A 39 1.165 -11.559 0.408 1.00 0.00 O ATOM 609 CB GLU A 39 3.791 -11.754 2.337 1.00 0.00 C ATOM 610 CG GLU A 39 3.622 -10.287 2.699 1.00 0.00 C ATOM 611 CD GLU A 39 3.768 -10.033 4.187 1.00 0.00 C ATOM 612 OE1 GLU A 39 3.159 -10.783 4.978 1.00 0.00 O ATOM 613 OE2 GLU A 39 4.490 -9.085 4.559 1.00 0.00 O ATOM 0 H GLU A 39 5.502 -11.669 0.564 1.00 0.00 H new ATOM 0 HA GLU A 39 3.143 -13.103 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.147 -12.355 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.818 -12.055 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.362 -9.696 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.640 -9.946 2.371 1.00 0.00 H new ATOM 620 N MET A 40 2.682 -9.959 -0.039 1.00 0.00 N ATOM 621 CA MET A 40 1.693 -9.005 -0.527 1.00 0.00 C ATOM 622 C MET A 40 1.219 -9.382 -1.927 1.00 0.00 C ATOM 623 O MET A 40 0.019 -9.431 -2.194 1.00 0.00 O ATOM 624 CB MET A 40 2.279 -7.592 -0.538 1.00 0.00 C ATOM 625 CG MET A 40 2.301 -6.933 0.832 1.00 0.00 C ATOM 626 SD MET A 40 3.052 -5.294 0.802 1.00 0.00 S ATOM 627 CE MET A 40 4.792 -5.719 0.775 1.00 0.00 C ATOM 0 H MET A 40 3.643 -9.618 -0.059 1.00 0.00 H new ATOM 0 HA MET A 40 0.836 -9.030 0.147 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.296 -7.632 -0.929 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.699 -6.972 -1.221 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.281 -6.854 1.210 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.850 -7.568 1.527 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.371 -4.911 1.223 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.951 -6.637 1.341 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.114 -5.868 -0.256 1.00 0.00 H new ATOM 637 N ALA A 41 2.170 -9.648 -2.817 1.00 0.00 N ATOM 638 CA ALA A 41 1.848 -10.023 -4.189 1.00 0.00 C ATOM 639 C ALA A 41 0.700 -11.024 -4.230 1.00 0.00 C ATOM 640 O ALA A 41 -0.034 -11.102 -5.215 1.00 0.00 O ATOM 641 CB ALA A 41 3.076 -10.596 -4.881 1.00 0.00 C ATOM 0 H ALA A 41 3.169 -9.611 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 41 1.531 -9.125 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.821 -10.872 -5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.869 -9.848 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.419 -11.479 -4.342 1.00 0.00 H new ATOM 647 N ASP A 42 0.549 -11.789 -3.154 1.00 0.00 N ATOM 648 CA ASP A 42 -0.511 -12.787 -3.067 1.00 0.00 C ATOM 649 C ASP A 42 -1.734 -12.219 -2.354 1.00 0.00 C ATOM 650 O ASP A 42 -2.872 -12.531 -2.705 1.00 0.00 O ATOM 651 CB ASP A 42 -0.010 -14.032 -2.334 1.00 0.00 C ATOM 652 CG ASP A 42 -0.842 -15.261 -2.646 1.00 0.00 C ATOM 653 OD1 ASP A 42 -0.903 -15.650 -3.830 1.00 0.00 O ATOM 654 OD2 ASP A 42 -1.432 -15.832 -1.705 1.00 0.00 O ATOM 0 H ASP A 42 1.148 -11.737 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.800 -13.064 -4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.028 -14.220 -2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.026 -13.849 -1.260 1.00 0.00 H new ATOM 659 N LYS A 43 -1.492 -11.383 -1.350 1.00 0.00 N ATOM 660 CA LYS A 43 -2.572 -10.770 -0.586 1.00 0.00 C ATOM 661 C LYS A 43 -3.405 -9.845 -1.467 1.00 0.00 C ATOM 662 O LYS A 43 -4.631 -9.811 -1.364 1.00 0.00 O ATOM 663 CB LYS A 43 -2.006 -9.988 0.601 1.00 0.00 C ATOM 664 CG LYS A 43 -1.635 -10.863 1.785 1.00 0.00 C ATOM 665 CD LYS A 43 -1.109 -10.037 2.947 1.00 0.00 C ATOM 666 CE LYS A 43 -0.249 -10.873 3.882 1.00 0.00 C ATOM 667 NZ LYS A 43 0.019 -10.170 5.167 1.00 0.00 N ATOM 0 H LYS A 43 -0.556 -11.114 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.217 -11.566 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.123 -9.439 0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.740 -9.249 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.508 -11.430 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.879 -11.587 1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.525 -9.200 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.946 -9.614 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.748 -11.821 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.696 -11.108 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.034 -10.223 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.266 -9.173 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.524 -10.622 5.930 1.00 0.00 H new ATOM 681 N SER A 44 -2.731 -9.097 -2.335 1.00 0.00 N ATOM 682 CA SER A 44 -3.409 -8.169 -3.233 1.00 0.00 C ATOM 683 C SER A 44 -3.648 -8.810 -4.597 1.00 0.00 C ATOM 684 O SER A 44 -4.685 -8.596 -5.223 1.00 0.00 O ATOM 685 CB SER A 44 -2.586 -6.890 -3.395 1.00 0.00 C ATOM 686 OG SER A 44 -1.378 -7.145 -4.092 1.00 0.00 O ATOM 0 H SER A 44 -1.716 -9.115 -2.435 1.00 0.00 H new ATOM 0 HA SER A 44 -4.375 -7.918 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.170 -6.144 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.362 -6.471 -2.414 1.00 0.00 H new ATOM 0 HG SER A 44 -0.818 -7.752 -3.565 1.00 0.00 H new ATOM 692 N GLY A 45 -2.678 -9.598 -5.052 1.00 0.00 N ATOM 693 CA GLY A 45 -2.801 -10.259 -6.338 1.00 0.00 C ATOM 694 C GLY A 45 -1.915 -9.633 -7.398 1.00 0.00 C ATOM 695 O GLY A 45 -1.952 -10.032 -8.562 1.00 0.00 O ATOM 0 H GLY A 45 -1.810 -9.790 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.542 -11.312 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.840 -10.218 -6.666 1.00 0.00 H new ATOM 699 N LEU A 46 -1.119 -8.649 -6.995 1.00 0.00 N ATOM 700 CA LEU A 46 -0.221 -7.965 -7.919 1.00 0.00 C ATOM 701 C LEU A 46 1.148 -8.637 -7.947 1.00 0.00 C ATOM 702 O LEU A 46 1.593 -9.235 -6.967 1.00 0.00 O ATOM 703 CB LEU A 46 -0.072 -6.495 -7.522 1.00 0.00 C ATOM 704 CG LEU A 46 -1.349 -5.656 -7.562 1.00 0.00 C ATOM 705 CD1 LEU A 46 -1.286 -4.538 -6.534 1.00 0.00 C ATOM 706 CD2 LEU A 46 -1.571 -5.088 -8.957 1.00 0.00 C ATOM 0 H LEU A 46 -1.077 -8.307 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.654 -8.024 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.336 -6.452 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.663 -6.034 -8.182 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.192 -6.301 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.204 -3.952 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.176 -4.966 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.433 -3.894 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.485 -4.494 -8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.725 -4.458 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.662 -5.905 -9.672 1.00 0.00 H new ATOM 718 N PRO A 47 1.833 -8.537 -9.095 1.00 0.00 N ATOM 719 CA PRO A 47 3.163 -9.127 -9.278 1.00 0.00 C ATOM 720 C PRO A 47 4.233 -8.409 -8.462 1.00 0.00 C ATOM 721 O PRO A 47 3.947 -7.430 -7.773 1.00 0.00 O ATOM 722 CB PRO A 47 3.426 -8.953 -10.776 1.00 0.00 C ATOM 723 CG PRO A 47 2.590 -7.787 -11.174 1.00 0.00 C ATOM 724 CD PRO A 47 1.364 -7.839 -10.304 1.00 0.00 C ATOM 0 HA PRO A 47 3.198 -10.164 -8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.482 -8.769 -10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.149 -9.848 -11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.131 -6.852 -11.030 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.322 -7.841 -12.229 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.993 -6.841 -10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.550 -8.378 -10.789 1.00 0.00 H new ATOM 732 N GLN A 48 5.464 -8.902 -8.545 1.00 0.00 N ATOM 733 CA GLN A 48 6.576 -8.307 -7.814 1.00 0.00 C ATOM 734 C GLN A 48 7.102 -7.071 -8.535 1.00 0.00 C ATOM 735 O GLN A 48 7.680 -6.176 -7.917 1.00 0.00 O ATOM 736 CB GLN A 48 7.702 -9.327 -7.637 1.00 0.00 C ATOM 737 CG GLN A 48 7.463 -10.306 -6.499 1.00 0.00 C ATOM 738 CD GLN A 48 8.751 -10.879 -5.941 1.00 0.00 C ATOM 739 OE1 GLN A 48 9.770 -10.932 -6.631 1.00 0.00 O ATOM 740 NE2 GLN A 48 8.712 -11.311 -4.686 1.00 0.00 N ATOM 0 H GLN A 48 5.717 -9.712 -9.111 1.00 0.00 H new ATOM 0 HA GLN A 48 6.212 -8.005 -6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.825 -9.885 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.637 -8.796 -7.458 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.918 -9.803 -5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.831 -11.120 -6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.846 -11.247 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.548 -11.706 -4.256 1.00 0.00 H new ATOM 749 N LYS A 49 6.899 -7.026 -9.848 1.00 0.00 N ATOM 750 CA LYS A 49 7.352 -5.900 -10.655 1.00 0.00 C ATOM 751 C LYS A 49 6.440 -4.692 -10.463 1.00 0.00 C ATOM 752 O LYS A 49 6.890 -3.547 -10.516 1.00 0.00 O ATOM 753 CB LYS A 49 7.395 -6.290 -12.134 1.00 0.00 C ATOM 754 CG LYS A 49 6.030 -6.606 -12.719 1.00 0.00 C ATOM 755 CD LYS A 49 6.135 -7.064 -14.164 1.00 0.00 C ATOM 756 CE LYS A 49 6.681 -8.480 -14.262 1.00 0.00 C ATOM 757 NZ LYS A 49 6.748 -8.953 -15.673 1.00 0.00 N ATOM 0 H LYS A 49 6.423 -7.758 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 49 8.356 -5.631 -10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.845 -5.476 -12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.042 -7.159 -12.253 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.549 -7.383 -12.124 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.395 -5.722 -12.662 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.152 -7.019 -14.633 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.784 -6.384 -14.716 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.676 -8.517 -13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.049 -9.154 -13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.125 -9.922 -15.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.795 -8.942 -16.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.371 -8.325 -16.220 1.00 0.00 H new ATOM 771 N VAL A 50 5.156 -4.955 -10.239 1.00 0.00 N ATOM 772 CA VAL A 50 4.182 -3.889 -10.037 1.00 0.00 C ATOM 773 C VAL A 50 4.330 -3.264 -8.655 1.00 0.00 C ATOM 774 O VAL A 50 4.343 -2.041 -8.514 1.00 0.00 O ATOM 775 CB VAL A 50 2.741 -4.408 -10.202 1.00 0.00 C ATOM 776 CG1 VAL A 50 1.748 -3.430 -9.591 1.00 0.00 C ATOM 777 CG2 VAL A 50 2.428 -4.652 -11.670 1.00 0.00 C ATOM 0 H VAL A 50 4.767 -5.897 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 50 4.378 -3.133 -10.797 1.00 0.00 H new ATOM 0 HB VAL A 50 2.652 -5.357 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.735 -3.813 -9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.961 -3.311 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.835 -2.464 -10.089 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.406 -5.018 -11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.534 -3.720 -12.224 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.119 -5.393 -12.071 1.00 0.00 H new ATOM 787 N ILE A 51 4.443 -4.111 -7.637 1.00 0.00 N ATOM 788 CA ILE A 51 4.592 -3.641 -6.266 1.00 0.00 C ATOM 789 C ILE A 51 5.915 -2.905 -6.077 1.00 0.00 C ATOM 790 O ILE A 51 5.945 -1.770 -5.603 1.00 0.00 O ATOM 791 CB ILE A 51 4.518 -4.805 -5.260 1.00 0.00 C ATOM 792 CG1 ILE A 51 3.169 -5.520 -5.373 1.00 0.00 C ATOM 793 CG2 ILE A 51 4.736 -4.296 -3.843 1.00 0.00 C ATOM 794 CD1 ILE A 51 3.159 -6.894 -4.742 1.00 0.00 C ATOM 0 H ILE A 51 4.434 -5.126 -7.736 1.00 0.00 H new ATOM 0 HA ILE A 51 3.766 -2.955 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 51 5.308 -5.519 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.401 -4.907 -4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.902 -5.611 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.681 -5.131 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.718 -3.827 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.966 -3.565 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.172 -7.341 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.903 -7.524 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.395 -6.809 -3.681 1.00 0.00 H new ATOM 806 N LYS A 52 7.008 -3.560 -6.454 1.00 0.00 N ATOM 807 CA LYS A 52 8.335 -2.968 -6.331 1.00 0.00 C ATOM 808 C LYS A 52 8.377 -1.587 -6.976 1.00 0.00 C ATOM 809 O LYS A 52 8.777 -0.608 -6.345 1.00 0.00 O ATOM 810 CB LYS A 52 9.383 -3.877 -6.977 1.00 0.00 C ATOM 811 CG LYS A 52 9.737 -5.091 -6.137 1.00 0.00 C ATOM 812 CD LYS A 52 10.361 -6.191 -6.980 1.00 0.00 C ATOM 813 CE LYS A 52 11.865 -6.007 -7.111 1.00 0.00 C ATOM 814 NZ LYS A 52 12.545 -7.269 -7.514 1.00 0.00 N ATOM 0 H LYS A 52 7.001 -4.501 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 52 8.561 -2.860 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.013 -4.212 -7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.288 -3.299 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.430 -4.799 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.840 -5.471 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.150 -7.161 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.906 -6.194 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.073 -5.231 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.273 -5.662 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.569 -7.102 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.368 -8.003 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.174 -7.585 -8.433 1.00 0.00 H new ATOM 828 N HIS A 53 7.960 -1.514 -8.236 1.00 0.00 N ATOM 829 CA HIS A 53 7.949 -0.251 -8.966 1.00 0.00 C ATOM 830 C HIS A 53 7.137 0.802 -8.217 1.00 0.00 C ATOM 831 O HIS A 53 7.623 1.902 -7.954 1.00 0.00 O ATOM 832 CB HIS A 53 7.372 -0.453 -10.368 1.00 0.00 C ATOM 833 CG HIS A 53 7.887 0.530 -11.374 1.00 0.00 C ATOM 834 ND1 HIS A 53 7.164 0.920 -12.482 1.00 0.00 N ATOM 835 CD2 HIS A 53 9.059 1.203 -11.435 1.00 0.00 C ATOM 836 CE1 HIS A 53 7.871 1.791 -13.181 1.00 0.00 C ATOM 837 NE2 HIS A 53 9.025 1.980 -12.567 1.00 0.00 N ATOM 0 H HIS A 53 7.625 -2.314 -8.773 1.00 0.00 H new ATOM 0 HA HIS A 53 8.977 0.100 -9.051 1.00 0.00 H new ATOM 0 HB2 HIS A 53 7.605 -1.463 -10.706 1.00 0.00 H new ATOM 0 HB3 HIS A 53 6.286 -0.376 -10.320 1.00 0.00 H new ATOM 0 HD2 HIS A 53 9.871 1.141 -10.725 1.00 0.00 H new ATOM 0 HE1 HIS A 53 7.558 2.267 -14.098 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.770 2.602 -12.882 1.00 0.00 H new ATOM 846 N TRP A 54 5.900 0.457 -7.878 1.00 0.00 N ATOM 847 CA TRP A 54 5.022 1.374 -7.160 1.00 0.00 C ATOM 848 C TRP A 54 5.755 2.030 -5.995 1.00 0.00 C ATOM 849 O TRP A 54 5.731 3.252 -5.843 1.00 0.00 O ATOM 850 CB TRP A 54 3.786 0.632 -6.648 1.00 0.00 C ATOM 851 CG TRP A 54 2.914 1.471 -5.763 1.00 0.00 C ATOM 852 CD1 TRP A 54 1.836 2.217 -6.146 1.00 0.00 C ATOM 853 CD2 TRP A 54 3.047 1.650 -4.349 1.00 0.00 C ATOM 854 NE1 TRP A 54 1.291 2.850 -5.054 1.00 0.00 N ATOM 855 CE2 TRP A 54 2.015 2.518 -3.940 1.00 0.00 C ATOM 856 CE3 TRP A 54 3.936 1.161 -3.389 1.00 0.00 C ATOM 857 CZ2 TRP A 54 1.852 2.905 -2.613 1.00 0.00 C ATOM 858 CZ3 TRP A 54 3.773 1.547 -2.072 1.00 0.00 C ATOM 859 CH2 TRP A 54 2.737 2.411 -1.694 1.00 0.00 C ATOM 0 H TRP A 54 5.483 -0.450 -8.088 1.00 0.00 H new ATOM 0 HA TRP A 54 4.708 2.155 -7.853 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.201 0.285 -7.499 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.104 -0.254 -6.098 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.466 2.298 -7.158 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.479 3.467 -5.071 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.737 0.493 -3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.055 3.572 -2.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.456 1.176 -1.322 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.635 2.693 -0.656 1.00 0.00 H new ATOM 870 N PHE A 55 6.406 1.212 -5.175 1.00 0.00 N ATOM 871 CA PHE A 55 7.146 1.714 -4.023 1.00 0.00 C ATOM 872 C PHE A 55 8.248 2.674 -4.460 1.00 0.00 C ATOM 873 O PHE A 55 8.515 3.674 -3.793 1.00 0.00 O ATOM 874 CB PHE A 55 7.751 0.552 -3.232 1.00 0.00 C ATOM 875 CG PHE A 55 6.846 0.022 -2.157 1.00 0.00 C ATOM 876 CD1 PHE A 55 6.837 0.596 -0.896 1.00 0.00 C ATOM 877 CD2 PHE A 55 6.005 -1.050 -2.407 1.00 0.00 C ATOM 878 CE1 PHE A 55 6.005 0.111 0.095 1.00 0.00 C ATOM 879 CE2 PHE A 55 5.170 -1.539 -1.420 1.00 0.00 C ATOM 880 CZ PHE A 55 5.171 -0.958 -0.167 1.00 0.00 C ATOM 0 H PHE A 55 6.436 0.199 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 55 6.449 2.256 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.996 -0.257 -3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.687 0.880 -2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.488 1.432 -0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.002 -1.509 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.007 0.568 1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.518 -2.374 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.521 -1.339 0.607 1.00 0.00 H new ATOM 890 N ARG A 56 8.884 2.363 -5.585 1.00 0.00 N ATOM 891 CA ARG A 56 9.958 3.197 -6.111 1.00 0.00 C ATOM 892 C ARG A 56 9.412 4.524 -6.628 1.00 0.00 C ATOM 893 O ARG A 56 9.760 5.590 -6.120 1.00 0.00 O ATOM 894 CB ARG A 56 10.697 2.465 -7.233 1.00 0.00 C ATOM 895 CG ARG A 56 12.096 3.001 -7.491 1.00 0.00 C ATOM 896 CD ARG A 56 12.568 2.669 -8.898 1.00 0.00 C ATOM 897 NE ARG A 56 12.174 3.692 -9.863 1.00 0.00 N ATOM 898 CZ ARG A 56 12.645 4.934 -9.852 1.00 0.00 C ATOM 899 NH1 ARG A 56 13.523 5.305 -8.931 1.00 0.00 N ATOM 900 NH2 ARG A 56 12.237 5.808 -10.764 1.00 0.00 N ATOM 0 H ARG A 56 8.674 1.540 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 56 10.656 3.403 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.763 1.406 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.113 2.540 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.105 4.082 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.789 2.578 -6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.653 2.566 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.156 1.707 -9.201 1.00 0.00 H new ATOM 0 HE ARG A 56 11.500 3.439 -10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.839 4.636 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.883 6.259 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.561 5.526 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.599 6.761 -10.755 1.00 0.00 H new ATOM 914 N ASN A 57 8.555 4.451 -7.642 1.00 0.00 N ATOM 915 CA ASN A 57 7.962 5.648 -8.228 1.00 0.00 C ATOM 916 C ASN A 57 7.440 6.584 -7.143 1.00 0.00 C ATOM 917 O ASN A 57 7.695 7.789 -7.171 1.00 0.00 O ATOM 918 CB ASN A 57 6.825 5.265 -9.178 1.00 0.00 C ATOM 919 CG ASN A 57 5.971 6.456 -9.567 1.00 0.00 C ATOM 920 OD1 ASN A 57 4.893 6.670 -9.012 1.00 0.00 O ATOM 921 ND2 ASN A 57 6.451 7.239 -10.526 1.00 0.00 N ATOM 0 H ASN A 57 8.256 3.577 -8.074 1.00 0.00 H new ATOM 0 HA ASN A 57 8.737 6.170 -8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.243 4.812 -10.077 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.197 4.511 -8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.921 8.056 -10.830 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.349 7.024 -10.958 1.00 0.00 H new ATOM 928 N THR A 58 6.708 6.023 -6.186 1.00 0.00 N ATOM 929 CA THR A 58 6.150 6.807 -5.091 1.00 0.00 C ATOM 930 C THR A 58 7.246 7.305 -4.156 1.00 0.00 C ATOM 931 O THR A 58 7.440 8.511 -3.996 1.00 0.00 O ATOM 932 CB THR A 58 5.130 5.989 -4.278 1.00 0.00 C ATOM 933 OG1 THR A 58 4.074 5.534 -5.131 1.00 0.00 O ATOM 934 CG2 THR A 58 4.550 6.821 -3.144 1.00 0.00 C ATOM 0 H THR A 58 6.488 5.028 -6.147 1.00 0.00 H new ATOM 0 HA THR A 58 5.644 7.662 -5.540 1.00 0.00 H new ATOM 0 HB THR A 58 5.646 5.129 -3.850 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.343 4.699 -5.567 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.832 6.222 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.353 7.140 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.049 7.697 -3.555 1.00 0.00 H new ATOM 942 N LEU A 59 7.963 6.370 -3.542 1.00 0.00 N ATOM 943 CA LEU A 59 9.042 6.714 -2.622 1.00 0.00 C ATOM 944 C LEU A 59 9.953 7.778 -3.226 1.00 0.00 C ATOM 945 O LEU A 59 10.036 8.898 -2.721 1.00 0.00 O ATOM 946 CB LEU A 59 9.857 5.468 -2.272 1.00 0.00 C ATOM 947 CG LEU A 59 11.064 5.690 -1.359 1.00 0.00 C ATOM 948 CD1 LEU A 59 10.621 5.817 0.090 1.00 0.00 C ATOM 949 CD2 LEU A 59 12.065 4.555 -1.515 1.00 0.00 C ATOM 0 H LEU A 59 7.817 5.368 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 59 8.597 7.117 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.194 4.747 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.207 5.015 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 59 11.551 6.621 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.493 5.974 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.942 6.664 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.110 4.904 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.917 4.729 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.589 3.611 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.407 4.511 -2.549 1.00 0.00 H new ATOM 961 N PHE A 60 10.633 7.422 -4.310 1.00 0.00 N ATOM 962 CA PHE A 60 11.537 8.346 -4.984 1.00 0.00 C ATOM 963 C PHE A 60 10.887 9.717 -5.152 1.00 0.00 C ATOM 964 O PHE A 60 11.566 10.744 -5.143 1.00 0.00 O ATOM 965 CB PHE A 60 11.944 7.791 -6.350 1.00 0.00 C ATOM 966 CG PHE A 60 13.306 8.237 -6.798 1.00 0.00 C ATOM 967 CD1 PHE A 60 13.515 9.535 -7.236 1.00 0.00 C ATOM 968 CD2 PHE A 60 14.378 7.360 -6.779 1.00 0.00 C ATOM 969 CE1 PHE A 60 14.767 9.948 -7.649 1.00 0.00 C ATOM 970 CE2 PHE A 60 15.633 7.768 -7.191 1.00 0.00 C ATOM 971 CZ PHE A 60 15.828 9.064 -7.625 1.00 0.00 C ATOM 0 H PHE A 60 10.575 6.499 -4.741 1.00 0.00 H new ATOM 0 HA PHE A 60 12.428 8.459 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.922 6.702 -6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.208 8.099 -7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.690 10.232 -7.255 1.00 0.00 H new ATOM 0 HD2 PHE A 60 14.232 6.346 -6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.916 10.962 -7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.460 7.074 -7.173 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.808 9.386 -7.945 1.00 0.00 H new ATOM 981 N LYS A 61 9.568 9.724 -5.307 1.00 0.00 N ATOM 982 CA LYS A 61 8.824 10.966 -5.477 1.00 0.00 C ATOM 983 C LYS A 61 8.675 11.698 -4.147 1.00 0.00 C ATOM 984 O LYS A 61 8.657 12.928 -4.104 1.00 0.00 O ATOM 985 CB LYS A 61 7.443 10.681 -6.071 1.00 0.00 C ATOM 986 CG LYS A 61 6.710 11.928 -6.534 1.00 0.00 C ATOM 987 CD LYS A 61 7.060 12.279 -7.971 1.00 0.00 C ATOM 988 CE LYS A 61 6.486 13.630 -8.370 1.00 0.00 C ATOM 989 NZ LYS A 61 7.194 14.208 -9.546 1.00 0.00 N ATOM 0 H LYS A 61 8.992 8.883 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 61 9.383 11.603 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.553 10.000 -6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.835 10.168 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.635 11.772 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.964 12.764 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.143 12.293 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.676 11.508 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.427 13.520 -8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.559 14.318 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.773 15.128 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.200 14.337 -9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.103 13.563 -10.357 1.00 0.00 H new ATOM 1003 N GLU A 62 8.570 10.934 -3.064 1.00 0.00 N ATOM 1004 CA GLU A 62 8.424 11.511 -1.733 1.00 0.00 C ATOM 1005 C GLU A 62 9.774 11.966 -1.187 1.00 0.00 C ATOM 1006 O GLU A 62 9.840 12.769 -0.256 1.00 0.00 O ATOM 1007 CB GLU A 62 7.791 10.496 -0.780 1.00 0.00 C ATOM 1008 CG GLU A 62 6.285 10.374 -0.933 1.00 0.00 C ATOM 1009 CD GLU A 62 5.543 11.579 -0.389 1.00 0.00 C ATOM 1010 OE1 GLU A 62 5.635 11.830 0.831 1.00 0.00 O ATOM 1011 OE2 GLU A 62 4.872 12.272 -1.182 1.00 0.00 O ATOM 0 H GLU A 62 8.583 9.914 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 62 7.771 12.381 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.245 9.520 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.021 10.781 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.040 10.247 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.943 9.478 -0.416 1.00 0.00 H new ATOM 1018 N ARG A 63 10.849 11.447 -1.772 1.00 0.00 N ATOM 1019 CA ARG A 63 12.197 11.798 -1.343 1.00 0.00 C ATOM 1020 C ARG A 63 12.699 13.033 -2.085 1.00 0.00 C ATOM 1021 O ARG A 63 13.462 13.830 -1.538 1.00 0.00 O ATOM 1022 CB ARG A 63 13.151 10.626 -1.577 1.00 0.00 C ATOM 1023 CG ARG A 63 13.219 9.653 -0.411 1.00 0.00 C ATOM 1024 CD ARG A 63 14.557 8.931 -0.366 1.00 0.00 C ATOM 1025 NE ARG A 63 14.772 8.102 -1.549 1.00 0.00 N ATOM 1026 CZ ARG A 63 15.786 7.254 -1.677 1.00 0.00 C ATOM 1027 NH1 ARG A 63 16.672 7.122 -0.701 1.00 0.00 N ATOM 1028 NH2 ARG A 63 15.914 6.534 -2.785 1.00 0.00 N ATOM 0 H ARG A 63 10.812 10.782 -2.544 1.00 0.00 H new ATOM 0 HA ARG A 63 12.165 12.024 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.838 10.087 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.150 11.015 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.063 10.192 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.413 8.924 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.361 9.663 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.602 8.307 0.527 1.00 0.00 H new ATOM 0 HE ARG A 63 14.107 8.178 -2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.577 7.673 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.450 6.470 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.233 6.632 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.693 5.883 -2.883 1.00 0.00 H new ATOM 1042 N GLN A 64 12.267 13.184 -3.333 1.00 0.00 N ATOM 1043 CA GLN A 64 12.674 14.321 -4.150 1.00 0.00 C ATOM 1044 C GLN A 64 11.839 15.554 -3.821 1.00 0.00 C ATOM 1045 O GLN A 64 12.320 16.684 -3.914 1.00 0.00 O ATOM 1046 CB GLN A 64 12.542 13.982 -5.636 1.00 0.00 C ATOM 1047 CG GLN A 64 11.119 13.655 -6.060 1.00 0.00 C ATOM 1048 CD GLN A 64 10.320 14.891 -6.423 1.00 0.00 C ATOM 1049 OE1 GLN A 64 9.201 15.083 -5.946 1.00 0.00 O ATOM 1050 NE2 GLN A 64 10.891 15.739 -7.271 1.00 0.00 N ATOM 0 H GLN A 64 11.635 12.533 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 64 13.718 14.542 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.904 14.824 -6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.185 13.132 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.145 12.980 -6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.615 13.126 -5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.820 15.541 -7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.400 16.588 -7.551 1.00 0.00 H new ATOM 1059 N SER A 65 10.587 15.330 -3.437 1.00 0.00 N ATOM 1060 CA SER A 65 9.684 16.423 -3.098 1.00 0.00 C ATOM 1061 C SER A 65 10.067 17.051 -1.762 1.00 0.00 C ATOM 1062 O SER A 65 10.095 16.378 -0.732 1.00 0.00 O ATOM 1063 CB SER A 65 8.239 15.921 -3.043 1.00 0.00 C ATOM 1064 OG SER A 65 7.373 16.916 -2.524 1.00 0.00 O ATOM 0 H SER A 65 10.175 14.401 -3.353 1.00 0.00 H new ATOM 0 HA SER A 65 9.768 17.184 -3.874 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.912 15.635 -4.043 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.185 15.027 -2.422 1.00 0.00 H new ATOM 0 HG SER A 65 6.456 16.572 -2.500 1.00 0.00 H new ATOM 1070 N GLY A 66 10.363 18.347 -1.787 1.00 0.00 N ATOM 1071 CA GLY A 66 10.742 19.045 -0.573 1.00 0.00 C ATOM 1072 C GLY A 66 10.128 20.428 -0.483 1.00 0.00 C ATOM 1073 O GLY A 66 10.751 21.431 -0.831 1.00 0.00 O ATOM 0 H GLY A 66 10.347 18.926 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.434 18.457 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.828 19.130 -0.530 1.00 0.00 H new ATOM 1077 N PRO A 67 8.875 20.494 -0.009 1.00 0.00 N ATOM 1078 CA PRO A 67 8.148 21.759 0.135 1.00 0.00 C ATOM 1079 C PRO A 67 8.719 22.632 1.247 1.00 0.00 C ATOM 1080 O PRO A 67 9.662 22.240 1.935 1.00 0.00 O ATOM 1081 CB PRO A 67 6.726 21.313 0.482 1.00 0.00 C ATOM 1082 CG PRO A 67 6.891 19.971 1.108 1.00 0.00 C ATOM 1083 CD PRO A 67 8.071 19.338 0.424 1.00 0.00 C ATOM 0 HA PRO A 67 8.210 22.370 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.248 22.013 1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.100 21.260 -0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.063 20.059 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.994 19.366 0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.629 18.692 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.763 18.723 -0.422 1.00 0.00 H new ATOM 1091 N SER A 68 8.142 23.818 1.417 1.00 0.00 N ATOM 1092 CA SER A 68 8.596 24.748 2.444 1.00 0.00 C ATOM 1093 C SER A 68 8.714 24.051 3.796 1.00 0.00 C ATOM 1094 O SER A 68 9.764 24.087 4.436 1.00 0.00 O ATOM 1095 CB SER A 68 7.634 25.933 2.550 1.00 0.00 C ATOM 1096 OG SER A 68 7.568 26.647 1.328 1.00 0.00 O ATOM 0 H SER A 68 7.360 24.157 0.857 1.00 0.00 H new ATOM 0 HA SER A 68 9.582 25.114 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.640 25.576 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.961 26.600 3.348 1.00 0.00 H new ATOM 0 HG SER A 68 6.945 27.398 1.421 1.00 0.00 H new ATOM 1102 N SER A 69 7.626 23.417 4.224 1.00 0.00 N ATOM 1103 CA SER A 69 7.605 22.714 5.501 1.00 0.00 C ATOM 1104 C SER A 69 8.279 21.351 5.382 1.00 0.00 C ATOM 1105 O SER A 69 8.479 20.838 4.282 1.00 0.00 O ATOM 1106 CB SER A 69 6.165 22.542 5.988 1.00 0.00 C ATOM 1107 OG SER A 69 5.585 23.793 6.316 1.00 0.00 O ATOM 0 H SER A 69 6.749 23.376 3.705 1.00 0.00 H new ATOM 0 HA SER A 69 8.158 23.311 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.572 22.054 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.148 21.890 6.861 1.00 0.00 H new ATOM 0 HG SER A 69 4.664 23.656 6.623 1.00 0.00 H new ATOM 1113 N GLY A 70 8.629 20.769 6.526 1.00 0.00 N ATOM 1114 CA GLY A 70 9.277 19.471 6.530 1.00 0.00 C ATOM 1115 C GLY A 70 10.624 19.497 7.224 1.00 0.00 C ATOM 1116 O GLY A 70 11.532 20.216 6.805 1.00 0.00 O ATOM 0 H GLY A 70 8.475 21.174 7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.630 18.747 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.408 19.131 5.503 1.00 0.00 H new TER 1120 GLY A 70