USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 270 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 17 HIS : no HD1:sc= -5.47! C(o=-14!,f=-17!) USER MOD Set 1.2: A 31 ASN : amide:sc= -8.07! C(o=-14!,f=-26!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 170:sc= -1.07 (180deg=-1.58) USER MOD Set 2.2: A 18 LYS NZ :NH3+ -144:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0629 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.856) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.9!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.5 USER MOD Single : A 25 HIS : no HD1:sc= -0.0868 X(o=-0.087,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.964 USER MOD Single : A 32 LYS NZ :NH3+ -111:sc= -0.0165 (180deg=-0.517) USER MOD Single : A 36 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.111 12.313 -6.124 1.00 0.00 N ATOM 2 CA GLY A 1 2.076 12.661 -4.676 1.00 0.00 C ATOM 3 C GLY A 1 2.242 14.149 -4.433 1.00 0.00 C ATOM 4 O GLY A 1 2.064 14.956 -5.340 1.00 0.00 O ATOM 0 H1 GLY A 1 1.267 11.756 -6.368 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.126 13.185 -6.690 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.965 11.755 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.130 12.330 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.867 12.121 -4.156 1.00 0.00 H new ATOM 10 N ASP A 2 2.583 14.511 -3.202 1.00 0.00 N ATOM 11 CA ASP A 2 2.772 15.912 -2.837 1.00 0.00 C ATOM 12 C ASP A 2 4.255 16.255 -2.745 1.00 0.00 C ATOM 13 O ASP A 2 4.771 17.043 -3.536 1.00 0.00 O ATOM 14 CB ASP A 2 2.086 16.211 -1.504 1.00 0.00 C ATOM 15 CG ASP A 2 0.581 16.333 -1.645 1.00 0.00 C ATOM 16 OD1 ASP A 2 -0.001 15.577 -2.451 1.00 0.00 O ATOM 17 OD2 ASP A 2 -0.009 17.186 -0.952 1.00 0.00 O ATOM 0 H ASP A 2 2.735 13.853 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 2 2.322 16.527 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.319 15.419 -0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.486 17.137 -1.092 1.00 0.00 H new ATOM 22 N ASN A 3 4.940 15.654 -1.778 1.00 0.00 N ATOM 23 CA ASN A 3 6.365 15.895 -1.582 1.00 0.00 C ATOM 24 C ASN A 3 7.045 14.682 -0.951 1.00 0.00 C ATOM 25 O ASN A 3 8.091 14.236 -1.413 1.00 0.00 O ATOM 26 CB ASN A 3 6.579 17.132 -0.704 1.00 0.00 C ATOM 27 CG ASN A 3 7.541 18.123 -1.326 1.00 0.00 C ATOM 28 OD1 ASN A 3 8.755 17.903 -1.334 1.00 0.00 O ATOM 29 ND2 ASN A 3 7.009 19.222 -1.850 1.00 0.00 N ATOM 0 H ASN A 3 4.530 14.995 -1.116 1.00 0.00 H new ATOM 0 HA ASN A 3 6.815 16.070 -2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.620 17.621 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.960 16.822 0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.610 19.924 -2.281 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.999 19.363 -1.821 1.00 0.00 H new ATOM 36 N LYS A 4 6.434 14.154 0.082 1.00 0.00 N ATOM 37 CA LYS A 4 6.976 12.993 0.765 1.00 0.00 C ATOM 38 C LYS A 4 6.156 11.740 0.455 1.00 0.00 C ATOM 39 O LYS A 4 5.231 11.397 1.192 1.00 0.00 O ATOM 40 CB LYS A 4 7.003 13.236 2.276 1.00 0.00 C ATOM 41 CG LYS A 4 8.027 12.395 3.014 1.00 0.00 C ATOM 42 CD LYS A 4 7.421 11.103 3.528 1.00 0.00 C ATOM 43 CE LYS A 4 8.394 9.943 3.405 1.00 0.00 C ATOM 44 NZ LYS A 4 7.794 8.660 3.870 1.00 0.00 N ATOM 0 H LYS A 4 5.560 14.507 0.472 1.00 0.00 H new ATOM 0 HA LYS A 4 7.993 12.834 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.211 14.290 2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.014 13.029 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.860 12.168 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.433 12.965 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.130 11.226 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.513 10.878 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.707 9.841 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.289 10.157 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.228 7.867 3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.965 8.546 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.770 8.670 3.690 1.00 0.00 H new ATOM 58 N PRO A 5 6.486 11.042 -0.608 1.00 0.00 N ATOM 59 CA PRO A 5 5.779 9.824 -1.015 1.00 0.00 C ATOM 60 C PRO A 5 6.063 8.650 -0.090 1.00 0.00 C ATOM 61 O PRO A 5 7.173 8.115 -0.073 1.00 0.00 O ATOM 62 CB PRO A 5 6.333 9.532 -2.410 1.00 0.00 C ATOM 63 CG PRO A 5 7.684 10.163 -2.414 1.00 0.00 C ATOM 64 CD PRO A 5 7.579 11.383 -1.544 1.00 0.00 C ATOM 0 HA PRO A 5 4.698 9.962 -0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.395 8.460 -2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.695 9.954 -3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.436 9.474 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.985 10.432 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.512 11.582 -1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.346 12.274 -2.127 1.00 0.00 H new ATOM 72 N PRO A 6 5.062 8.229 0.684 1.00 0.00 N ATOM 73 CA PRO A 6 5.222 7.111 1.621 1.00 0.00 C ATOM 74 C PRO A 6 5.367 5.772 0.906 1.00 0.00 C ATOM 75 O PRO A 6 4.834 5.580 -0.154 1.00 0.00 O ATOM 76 CB PRO A 6 3.925 7.143 2.434 1.00 0.00 C ATOM 77 CG PRO A 6 2.929 7.798 1.541 1.00 0.00 C ATOM 78 CD PRO A 6 3.704 8.801 0.732 1.00 0.00 C ATOM 0 HA PRO A 6 6.124 7.211 2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.607 6.138 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.053 7.703 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.442 7.067 0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.144 8.285 2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.284 8.922 -0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.699 9.785 1.201 1.00 0.00 H new ATOM 86 N LYS A 7 6.089 4.849 1.533 1.00 0.00 N ATOM 87 CA LYS A 7 6.306 3.526 0.959 1.00 0.00 C ATOM 88 C LYS A 7 7.029 3.628 -0.347 1.00 0.00 C ATOM 89 O LYS A 7 6.469 4.116 -1.331 1.00 0.00 O ATOM 90 CB LYS A 7 4.974 2.801 0.778 1.00 0.00 C ATOM 91 CG LYS A 7 5.116 1.397 0.226 1.00 0.00 C ATOM 92 CD LYS A 7 5.098 0.373 1.321 1.00 0.00 C ATOM 93 CE LYS A 7 5.500 -0.986 0.799 1.00 0.00 C ATOM 94 NZ LYS A 7 6.320 -1.741 1.794 1.00 0.00 N ATOM 0 H LYS A 7 6.534 4.993 2.439 1.00 0.00 H new ATOM 0 HA LYS A 7 6.925 2.950 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.462 2.754 1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.341 3.383 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.306 1.196 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.048 1.317 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.777 0.676 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.100 0.319 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.607 -1.560 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.067 -0.868 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.434 -2.724 1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.255 -1.295 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.842 -1.730 2.718 1.00 0.00 H new ATOM 108 N LYS A 8 8.273 3.165 -0.381 1.00 0.00 N ATOM 109 CA LYS A 8 9.072 3.205 -1.600 1.00 0.00 C ATOM 110 C LYS A 8 9.051 1.852 -2.309 1.00 0.00 C ATOM 111 O LYS A 8 8.584 0.859 -1.755 1.00 0.00 O ATOM 112 CB LYS A 8 10.512 3.603 -1.290 1.00 0.00 C ATOM 113 CG LYS A 8 10.643 4.582 -0.132 1.00 0.00 C ATOM 114 CD LYS A 8 10.958 3.861 1.134 1.00 0.00 C ATOM 115 CE LYS A 8 10.229 4.498 2.311 1.00 0.00 C ATOM 116 NZ LYS A 8 9.871 3.491 3.351 1.00 0.00 N ATOM 0 H LYS A 8 8.751 2.757 0.423 1.00 0.00 H new ATOM 0 HA LYS A 8 8.634 3.954 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.086 2.705 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.956 4.047 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.428 5.307 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.715 5.142 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.669 2.814 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.033 3.880 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.858 5.270 2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.324 4.990 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.377 3.963 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.250 2.768 2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.737 3.039 3.709 1.00 0.00 H new ATOM 130 N GLY A 9 9.560 1.825 -3.536 1.00 0.00 N ATOM 131 CA GLY A 9 9.592 0.604 -4.299 1.00 0.00 C ATOM 132 C GLY A 9 9.285 0.813 -5.772 1.00 0.00 C ATOM 133 O GLY A 9 10.172 1.164 -6.543 1.00 0.00 O ATOM 0 H GLY A 9 9.952 2.637 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.577 0.147 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.871 -0.098 -3.880 1.00 0.00 H new ATOM 137 N PRO A 10 8.022 0.620 -6.188 1.00 0.00 N ATOM 138 CA PRO A 10 7.615 0.790 -7.585 1.00 0.00 C ATOM 139 C PRO A 10 7.500 2.264 -7.968 1.00 0.00 C ATOM 140 O PRO A 10 6.611 2.967 -7.489 1.00 0.00 O ATOM 141 CB PRO A 10 6.241 0.135 -7.636 1.00 0.00 C ATOM 142 CG PRO A 10 5.706 0.274 -6.256 1.00 0.00 C ATOM 143 CD PRO A 10 6.896 0.204 -5.334 1.00 0.00 C ATOM 0 HA PRO A 10 8.338 0.357 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.595 0.627 -8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.312 -0.912 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.177 1.219 -6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.994 -0.520 -6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.778 0.866 -4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.041 -0.803 -4.942 1.00 0.00 H new ATOM 151 N PRO A 11 8.402 2.755 -8.836 1.00 0.00 N ATOM 152 CA PRO A 11 8.394 4.152 -9.272 1.00 0.00 C ATOM 153 C PRO A 11 7.341 4.421 -10.346 1.00 0.00 C ATOM 154 O PRO A 11 7.657 4.901 -11.435 1.00 0.00 O ATOM 155 CB PRO A 11 9.796 4.343 -9.843 1.00 0.00 C ATOM 156 CG PRO A 11 10.172 3.000 -10.365 1.00 0.00 C ATOM 157 CD PRO A 11 9.506 1.996 -9.459 1.00 0.00 C ATOM 0 HA PRO A 11 8.148 4.834 -8.458 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.804 5.093 -10.634 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.494 4.681 -9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 11 9.839 2.876 -11.395 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.254 2.870 -10.362 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.134 1.138 -10.019 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.199 1.612 -8.710 1.00 0.00 H new ATOM 165 N ASN A 12 6.088 4.108 -10.036 1.00 0.00 N ATOM 166 CA ASN A 12 4.990 4.316 -10.973 1.00 0.00 C ATOM 167 C ASN A 12 3.664 3.871 -10.366 1.00 0.00 C ATOM 168 O ASN A 12 3.632 3.075 -9.427 1.00 0.00 O ATOM 169 CB ASN A 12 5.247 3.548 -12.274 1.00 0.00 C ATOM 170 CG ASN A 12 5.774 4.446 -13.376 1.00 0.00 C ATOM 171 OD1 ASN A 12 5.472 5.638 -13.419 1.00 0.00 O ATOM 172 ND2 ASN A 12 6.567 3.875 -14.273 1.00 0.00 N ATOM 0 H ASN A 12 5.807 3.708 -9.141 1.00 0.00 H new ATOM 0 HA ASN A 12 4.932 5.382 -11.191 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.963 2.748 -12.086 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.322 3.076 -12.604 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.953 4.428 -15.038 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.791 2.883 -14.198 1.00 0.00 H new ATOM 179 N GLY A 13 2.566 4.392 -10.908 1.00 0.00 N ATOM 180 CA GLY A 13 1.251 4.038 -10.410 1.00 0.00 C ATOM 181 C GLY A 13 1.072 4.377 -8.942 1.00 0.00 C ATOM 182 O GLY A 13 1.972 4.945 -8.316 1.00 0.00 O ATOM 0 H GLY A 13 2.565 5.054 -11.684 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.493 4.559 -10.994 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.087 2.970 -10.555 1.00 0.00 H new ATOM 186 N CYS A 14 -0.081 4.030 -8.393 1.00 0.00 N ATOM 187 CA CYS A 14 -0.372 4.298 -6.991 1.00 0.00 C ATOM 188 C CYS A 14 0.467 3.415 -6.076 1.00 0.00 C ATOM 189 O CYS A 14 1.312 2.653 -6.545 1.00 0.00 O ATOM 190 CB CYS A 14 -1.829 4.073 -6.705 1.00 0.00 C ATOM 191 SG CYS A 14 -2.445 2.441 -7.230 1.00 0.00 S ATOM 0 H CYS A 14 -0.833 3.561 -8.897 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.121 5.341 -6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.000 4.187 -5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.411 4.847 -7.205 1.00 0.00 H new ATOM 196 N PHE A 15 0.233 3.524 -4.774 1.00 0.00 N ATOM 197 CA PHE A 15 0.970 2.736 -3.788 1.00 0.00 C ATOM 198 C PHE A 15 1.027 1.264 -4.196 1.00 0.00 C ATOM 199 O PHE A 15 0.140 0.764 -4.887 1.00 0.00 O ATOM 200 CB PHE A 15 0.330 2.873 -2.400 1.00 0.00 C ATOM 201 CG PHE A 15 -1.120 3.121 -2.419 1.00 0.00 C ATOM 202 CD1 PHE A 15 -2.012 2.071 -2.526 1.00 0.00 C ATOM 203 CD2 PHE A 15 -1.618 4.411 -2.326 1.00 0.00 C ATOM 204 CE1 PHE A 15 -3.375 2.299 -2.545 1.00 0.00 C ATOM 205 CE2 PHE A 15 -2.976 4.648 -2.344 1.00 0.00 C ATOM 206 CZ PHE A 15 -3.860 3.585 -2.456 1.00 0.00 C ATOM 0 H PHE A 15 -0.463 4.152 -4.373 1.00 0.00 H new ATOM 0 HA PHE A 15 1.989 3.122 -3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.523 1.962 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.819 3.689 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.639 1.060 -2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.933 5.242 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.060 1.468 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.350 5.658 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.925 3.765 -2.473 1.00 0.00 H new ATOM 216 N GLY A 16 2.084 0.576 -3.768 1.00 0.00 N ATOM 217 CA GLY A 16 2.242 -0.792 -4.110 1.00 0.00 C ATOM 218 C GLY A 16 1.562 -1.722 -3.125 1.00 0.00 C ATOM 219 O GLY A 16 0.771 -1.288 -2.292 1.00 0.00 O ATOM 0 H GLY A 16 2.828 0.962 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.834 -0.963 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.305 -1.031 -4.155 1.00 0.00 H new ATOM 223 N HIS A 17 1.878 -3.010 -3.228 1.00 0.00 N ATOM 224 CA HIS A 17 1.301 -4.022 -2.353 1.00 0.00 C ATOM 225 C HIS A 17 1.613 -3.722 -0.890 1.00 0.00 C ATOM 226 O HIS A 17 2.289 -2.748 -0.567 1.00 0.00 O ATOM 227 CB HIS A 17 1.834 -5.410 -2.721 1.00 0.00 C ATOM 228 CG HIS A 17 1.902 -5.661 -4.194 1.00 0.00 C ATOM 229 ND1 HIS A 17 0.826 -6.105 -4.934 1.00 0.00 N ATOM 230 CD2 HIS A 17 2.930 -5.541 -5.070 1.00 0.00 C ATOM 231 CE1 HIS A 17 1.188 -6.244 -6.196 1.00 0.00 C ATOM 232 NE2 HIS A 17 2.459 -5.905 -6.304 1.00 0.00 N ATOM 0 H HIS A 17 2.536 -3.378 -3.915 1.00 0.00 H new ATOM 0 HA HIS A 17 0.219 -4.005 -2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.830 -5.531 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.197 -6.167 -2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.934 -5.218 -4.838 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.552 -6.578 -7.003 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.003 -5.913 -7.167 1.00 0.00 H new ATOM 241 N LYS A 18 1.105 -4.579 -0.012 1.00 0.00 N ATOM 242 CA LYS A 18 1.314 -4.431 1.395 1.00 0.00 C ATOM 243 C LYS A 18 0.457 -3.301 1.959 1.00 0.00 C ATOM 244 O LYS A 18 0.922 -2.172 2.112 1.00 0.00 O ATOM 245 CB LYS A 18 2.789 -4.168 1.697 1.00 0.00 C ATOM 246 CG LYS A 18 3.217 -4.631 3.081 1.00 0.00 C ATOM 247 CD LYS A 18 4.475 -3.911 3.544 1.00 0.00 C ATOM 248 CE LYS A 18 4.143 -2.756 4.472 1.00 0.00 C ATOM 249 NZ LYS A 18 5.346 -2.262 5.196 1.00 0.00 N ATOM 0 H LYS A 18 0.541 -5.389 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 18 1.017 -5.363 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.400 -4.672 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.986 -3.100 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.411 -4.451 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.396 -5.706 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.131 -4.615 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.022 -3.538 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.706 -1.941 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.391 -3.075 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.078 -1.975 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.057 -3.019 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.745 -1.446 4.690 1.00 0.00 H new ATOM 263 N ILE A 19 -0.762 -3.618 2.266 1.00 0.00 N ATOM 264 CA ILE A 19 -1.687 -2.638 2.814 1.00 0.00 C ATOM 265 C ILE A 19 -1.142 -2.015 4.096 1.00 0.00 C ATOM 266 O ILE A 19 -1.403 -0.851 4.396 1.00 0.00 O ATOM 267 CB ILE A 19 -3.066 -3.262 3.113 1.00 0.00 C ATOM 268 CG1 ILE A 19 -3.594 -3.998 1.878 1.00 0.00 C ATOM 269 CG2 ILE A 19 -4.053 -2.193 3.567 1.00 0.00 C ATOM 270 CD1 ILE A 19 -4.989 -4.558 2.055 1.00 0.00 C ATOM 0 H ILE A 19 -1.155 -4.552 2.150 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.802 -1.864 2.055 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.952 -3.983 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.591 -3.314 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.913 -4.813 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.019 -2.654 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.679 -1.714 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.167 -1.446 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.296 -5.065 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.994 -5.267 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.683 -3.745 2.270 1.00 0.00 H new ATOM 282 N ASP A 20 -0.400 -2.804 4.841 1.00 0.00 N ATOM 283 CA ASP A 20 0.183 -2.335 6.085 1.00 0.00 C ATOM 284 C ASP A 20 -0.863 -1.877 7.063 1.00 0.00 C ATOM 285 O ASP A 20 -1.995 -1.601 6.669 1.00 0.00 O ATOM 286 CB ASP A 20 1.166 -1.198 5.792 1.00 0.00 C ATOM 287 CG ASP A 20 1.542 -0.396 7.027 1.00 0.00 C ATOM 288 OD1 ASP A 20 2.188 -0.970 7.929 1.00 0.00 O ATOM 289 OD2 ASP A 20 1.189 0.764 7.091 1.00 0.00 O ATOM 0 H ASP A 20 -0.184 -3.774 4.610 1.00 0.00 H new ATOM 0 HA ASP A 20 0.709 -3.172 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.070 -1.614 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.727 -0.529 5.052 1.00 0.00 H new ATOM 294 N ARG A 21 -0.536 -1.810 8.342 1.00 0.00 N ATOM 295 CA ARG A 21 -1.447 -1.388 9.375 1.00 0.00 C ATOM 296 C ARG A 21 -1.448 0.112 9.524 1.00 0.00 C ATOM 297 O ARG A 21 -0.564 0.775 9.058 1.00 0.00 O ATOM 298 CB ARG A 21 -1.098 -2.047 10.712 1.00 0.00 C ATOM 299 CG ARG A 21 -1.967 -3.254 11.036 1.00 0.00 C ATOM 300 CD ARG A 21 -1.940 -4.281 9.916 1.00 0.00 C ATOM 301 NE ARG A 21 -0.667 -4.992 9.853 1.00 0.00 N ATOM 302 CZ ARG A 21 -0.321 -5.929 10.727 1.00 0.00 C ATOM 303 NH1 ARG A 21 -1.094 -6.263 11.734 1.00 0.00 N ATOM 304 NH2 ARG A 21 0.850 -6.523 10.600 1.00 0.00 N ATOM 0 H ARG A 21 0.391 -2.054 8.692 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.447 -1.704 9.078 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.053 -2.355 10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.200 -1.311 11.509 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.620 -3.715 11.961 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.993 -2.929 11.207 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.748 -4.998 10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.124 -3.783 8.964 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.015 -4.759 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.992 -5.798 11.864 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.796 -6.988 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.475 -6.260 9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.130 -7.245 11.264 1.00 0.00 H new ATOM 318 N ILE A 22 -2.479 0.617 10.183 1.00 0.00 N ATOM 319 CA ILE A 22 -2.603 2.053 10.400 1.00 0.00 C ATOM 320 C ILE A 22 -2.531 2.816 9.076 1.00 0.00 C ATOM 321 O ILE A 22 -2.269 2.229 8.027 1.00 0.00 O ATOM 322 CB ILE A 22 -1.514 2.595 11.351 1.00 0.00 C ATOM 323 CG1 ILE A 22 -1.056 1.510 12.330 1.00 0.00 C ATOM 324 CG2 ILE A 22 -2.026 3.810 12.111 1.00 0.00 C ATOM 325 CD1 ILE A 22 -0.007 1.970 13.284 1.00 0.00 C ATOM 0 H ILE A 22 -3.238 0.060 10.575 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.577 2.210 10.863 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.657 2.896 10.748 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.918 1.155 12.895 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.673 0.660 11.764 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.245 4.179 12.776 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.299 4.593 11.404 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.901 3.530 12.698 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.268 1.149 13.946 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.872 2.298 12.728 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.392 2.800 13.876 1.00 0.00 H new ATOM 337 N GLY A 23 -2.764 4.122 9.131 1.00 0.00 N ATOM 338 CA GLY A 23 -2.720 4.935 7.933 1.00 0.00 C ATOM 339 C GLY A 23 -2.273 6.356 8.208 1.00 0.00 C ATOM 340 O GLY A 23 -2.887 7.315 7.733 1.00 0.00 O ATOM 0 H GLY A 23 -2.983 4.632 9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.041 4.478 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.708 4.952 7.473 1.00 0.00 H new ATOM 344 N SER A 24 -1.202 6.498 8.983 1.00 0.00 N ATOM 345 CA SER A 24 -0.701 7.805 9.325 1.00 0.00 C ATOM 346 C SER A 24 -0.338 8.595 8.071 1.00 0.00 C ATOM 347 O SER A 24 -0.873 9.678 7.833 1.00 0.00 O ATOM 348 CB SER A 24 0.525 7.651 10.222 1.00 0.00 C ATOM 349 OG SER A 24 1.671 7.296 9.469 1.00 0.00 O ATOM 0 H SER A 24 -0.673 5.721 9.380 1.00 0.00 H new ATOM 0 HA SER A 24 -1.479 8.355 9.854 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.710 8.585 10.752 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.333 6.889 10.977 1.00 0.00 H new ATOM 0 HG SER A 24 2.441 7.206 10.068 1.00 0.00 H new ATOM 355 N HIS A 25 0.572 8.045 7.277 1.00 0.00 N ATOM 356 CA HIS A 25 1.006 8.696 6.044 1.00 0.00 C ATOM 357 C HIS A 25 0.789 7.790 4.842 1.00 0.00 C ATOM 358 O HIS A 25 0.071 8.143 3.905 1.00 0.00 O ATOM 359 CB HIS A 25 2.483 9.084 6.147 1.00 0.00 C ATOM 360 CG HIS A 25 2.814 10.360 5.436 1.00 0.00 C ATOM 361 ND1 HIS A 25 3.933 11.119 5.729 1.00 0.00 N ATOM 362 CD2 HIS A 25 2.171 11.017 4.439 1.00 0.00 C ATOM 363 CE1 HIS A 25 3.962 12.176 4.945 1.00 0.00 C ATOM 364 NE2 HIS A 25 2.903 12.140 4.152 1.00 0.00 N ATOM 0 H HIS A 25 1.025 7.150 7.463 1.00 0.00 H new ATOM 0 HA HIS A 25 0.406 9.596 5.906 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.753 9.182 7.199 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.092 8.279 5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.252 10.712 3.960 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.722 12.943 4.948 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.669 12.835 3.443 1.00 0.00 H new ATOM 373 N SER A 26 1.414 6.615 4.868 1.00 0.00 N ATOM 374 CA SER A 26 1.286 5.653 3.779 1.00 0.00 C ATOM 375 C SER A 26 -0.163 5.239 3.584 1.00 0.00 C ATOM 376 O SER A 26 -0.922 5.233 4.529 1.00 0.00 O ATOM 377 CB SER A 26 2.148 4.421 4.059 1.00 0.00 C ATOM 378 OG SER A 26 3.455 4.791 4.471 1.00 0.00 O ATOM 0 H SER A 26 2.015 6.307 5.633 1.00 0.00 H new ATOM 0 HA SER A 26 1.632 6.132 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.678 3.814 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.208 3.804 3.162 1.00 0.00 H new ATOM 0 HG SER A 26 3.984 3.984 4.645 1.00 0.00 H new ATOM 384 N GLY A 27 -0.509 4.891 2.349 1.00 0.00 N ATOM 385 CA GLY A 27 -1.837 4.474 2.049 1.00 0.00 C ATOM 386 C GLY A 27 -1.879 3.337 1.053 1.00 0.00 C ATOM 387 O GLY A 27 -2.552 3.427 0.036 1.00 0.00 O ATOM 0 H GLY A 27 0.127 4.896 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.333 4.165 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.399 5.320 1.653 1.00 0.00 H new ATOM 391 N LEU A 28 -1.166 2.260 1.359 1.00 0.00 N ATOM 392 CA LEU A 28 -1.118 1.097 0.480 1.00 0.00 C ATOM 393 C LEU A 28 -2.511 0.506 0.290 1.00 0.00 C ATOM 394 O LEU A 28 -3.489 0.996 0.853 1.00 0.00 O ATOM 395 CB LEU A 28 -0.206 0.061 1.052 1.00 0.00 C ATOM 396 CG LEU A 28 1.235 0.483 1.307 1.00 0.00 C ATOM 397 CD1 LEU A 28 1.699 1.468 0.246 1.00 0.00 C ATOM 398 CD2 LEU A 28 1.364 1.090 2.697 1.00 0.00 C ATOM 0 H LEU A 28 -0.612 2.167 2.210 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.739 1.417 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.631 -0.284 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.196 -0.794 0.376 1.00 0.00 H new ATOM 0 HG LEU A 28 1.873 -0.399 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.731 1.758 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.637 1.000 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.063 2.353 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.398 1.388 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.717 1.964 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.070 0.353 3.444 1.00 0.00 H new ATOM 410 N GLY A 29 -2.594 -0.516 -0.477 1.00 0.00 N ATOM 411 CA GLY A 29 -3.871 -1.161 -0.733 1.00 0.00 C ATOM 412 C GLY A 29 -4.379 -0.912 -2.139 1.00 0.00 C ATOM 413 O GLY A 29 -5.582 -0.729 -2.349 1.00 0.00 O ATOM 0 H GLY A 29 -1.799 -0.943 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.770 -2.234 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.607 -0.799 -0.015 1.00 0.00 H new ATOM 417 N CYS A 30 -3.467 -0.903 -3.108 1.00 0.00 N ATOM 418 CA CYS A 30 -3.835 -0.679 -4.501 1.00 0.00 C ATOM 419 C CYS A 30 -3.858 -1.995 -5.271 1.00 0.00 C ATOM 420 O CYS A 30 -4.924 -2.526 -5.584 1.00 0.00 O ATOM 421 CB CYS A 30 -2.853 0.262 -5.157 1.00 0.00 C ATOM 422 SG CYS A 30 -3.609 1.836 -5.679 1.00 0.00 S ATOM 0 H CYS A 30 -2.469 -1.048 -2.953 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.831 -0.237 -4.519 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.039 0.470 -4.463 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.414 -0.229 -6.026 1.00 0.00 H new ATOM 427 N ASN A 31 -2.675 -2.517 -5.568 1.00 0.00 N ATOM 428 CA ASN A 31 -2.548 -3.769 -6.298 1.00 0.00 C ATOM 429 C ASN A 31 -2.863 -4.961 -5.399 1.00 0.00 C ATOM 430 O ASN A 31 -2.771 -4.867 -4.172 1.00 0.00 O ATOM 431 CB ASN A 31 -1.138 -3.906 -6.867 1.00 0.00 C ATOM 432 CG ASN A 31 -0.082 -3.577 -5.849 1.00 0.00 C ATOM 433 OD1 ASN A 31 -0.255 -3.789 -4.654 1.00 0.00 O ATOM 434 ND2 ASN A 31 1.022 -3.045 -6.324 1.00 0.00 N ATOM 0 H ASN A 31 -1.785 -2.089 -5.312 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.267 -3.757 -7.117 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.990 -4.925 -7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.029 -3.246 -7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.779 -2.790 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.122 -2.887 -7.327 1.00 0.00 H new ATOM 441 N LYS A 32 -3.236 -6.078 -6.011 1.00 0.00 N ATOM 442 CA LYS A 32 -3.565 -7.288 -5.265 1.00 0.00 C ATOM 443 C LYS A 32 -2.412 -8.287 -5.313 1.00 0.00 C ATOM 444 O LYS A 32 -1.624 -8.297 -6.258 1.00 0.00 O ATOM 445 CB LYS A 32 -4.835 -7.932 -5.826 1.00 0.00 C ATOM 446 CG LYS A 32 -5.358 -9.082 -4.982 1.00 0.00 C ATOM 447 CD LYS A 32 -6.745 -9.514 -5.427 1.00 0.00 C ATOM 448 CE LYS A 32 -6.719 -10.088 -6.835 1.00 0.00 C ATOM 449 NZ LYS A 32 -7.038 -9.058 -7.862 1.00 0.00 N ATOM 0 H LYS A 32 -3.319 -6.172 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.738 -7.007 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.611 -7.172 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.634 -8.294 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.673 -9.927 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.388 -8.782 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.136 -10.260 -4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.423 -8.661 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.734 -10.509 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.436 -10.906 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.964 -9.266 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.065 -8.119 -7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.308 -9.068 -8.603 1.00 0.00 H new ATOM 463 N VAL A 33 -2.315 -9.125 -4.285 1.00 0.00 N ATOM 464 CA VAL A 33 -1.263 -10.126 -4.207 1.00 0.00 C ATOM 465 C VAL A 33 -1.847 -11.534 -4.174 1.00 0.00 C ATOM 466 O VAL A 33 -2.802 -11.804 -3.443 1.00 0.00 O ATOM 467 CB VAL A 33 -0.380 -9.919 -2.966 1.00 0.00 C ATOM 468 CG1 VAL A 33 0.532 -8.739 -3.169 1.00 0.00 C ATOM 469 CG2 VAL A 33 -1.236 -9.715 -1.726 1.00 0.00 C ATOM 0 H VAL A 33 -2.957 -9.128 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.650 -10.010 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 33 0.227 -10.813 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.153 -8.602 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.170 -8.917 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.065 -7.842 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.592 -9.570 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.867 -8.836 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.864 -10.592 -1.569 1.00 0.00 H new ATOM 479 N ASP A 34 -1.266 -12.429 -4.963 1.00 0.00 N ATOM 480 CA ASP A 34 -1.727 -13.812 -5.027 1.00 0.00 C ATOM 481 C ASP A 34 -1.207 -14.607 -3.829 1.00 0.00 C ATOM 482 O ASP A 34 -0.462 -15.579 -3.994 1.00 0.00 O ATOM 483 CB ASP A 34 -1.276 -14.464 -6.330 1.00 0.00 C ATOM 484 CG ASP A 34 -2.266 -15.500 -6.828 1.00 0.00 C ATOM 485 OD1 ASP A 34 -3.438 -15.140 -7.053 1.00 0.00 O ATOM 486 OD2 ASP A 34 -1.864 -16.670 -6.999 1.00 0.00 O ATOM 0 H ASP A 34 -0.472 -12.222 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.817 -13.812 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.144 -13.695 -7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.305 -14.935 -6.181 1.00 0.00 H new ATOM 491 N ASP A 35 -1.601 -14.196 -2.631 1.00 0.00 N ATOM 492 CA ASP A 35 -1.177 -14.872 -1.414 1.00 0.00 C ATOM 493 C ASP A 35 -1.776 -16.271 -1.328 1.00 0.00 C ATOM 494 O ASP A 35 -2.921 -16.443 -0.914 1.00 0.00 O ATOM 495 CB ASP A 35 -1.581 -14.053 -0.185 1.00 0.00 C ATOM 496 CG ASP A 35 -0.544 -14.119 0.885 1.00 0.00 C ATOM 497 OD1 ASP A 35 0.427 -13.380 0.805 1.00 0.00 O ATOM 498 OD2 ASP A 35 -0.738 -14.908 1.838 1.00 0.00 O ATOM 0 H ASP A 35 -2.215 -13.396 -2.477 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.091 -14.965 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.739 -13.014 -0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.530 -14.423 0.204 1.00 0.00 H new ATOM 503 N ASN A 36 -0.996 -17.270 -1.727 1.00 0.00 N ATOM 504 CA ASN A 36 -1.444 -18.655 -1.702 1.00 0.00 C ATOM 505 C ASN A 36 -2.022 -19.024 -0.341 1.00 0.00 C ATOM 506 O ASN A 36 -1.682 -18.416 0.659 1.00 0.00 O ATOM 507 CB ASN A 36 -0.286 -19.598 -2.046 1.00 0.00 C ATOM 508 CG ASN A 36 -0.077 -19.730 -3.540 1.00 0.00 C ATOM 509 OD1 ASN A 36 -0.483 -20.719 -4.150 1.00 0.00 O ATOM 510 ND2 ASN A 36 0.548 -18.735 -4.140 1.00 0.00 N ATOM 0 H ASN A 36 -0.045 -17.143 -2.073 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.230 -18.763 -2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.630 -19.229 -1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.483 -20.582 -1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.710 -18.768 -5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.869 -17.933 -3.597 1.00 0.00 H new ATOM 517 N LYS A 37 -2.899 -20.021 -0.321 1.00 0.00 N ATOM 518 CA LYS A 37 -3.525 -20.468 0.884 1.00 0.00 C ATOM 519 C LYS A 37 -4.320 -19.339 1.528 1.00 0.00 C ATOM 520 O LYS A 37 -3.821 -18.639 2.408 1.00 0.00 O ATOM 521 CB LYS A 37 -2.466 -20.986 1.858 1.00 0.00 C ATOM 522 CG LYS A 37 -1.694 -22.185 1.335 1.00 0.00 C ATOM 523 CD LYS A 37 -0.249 -22.165 1.804 1.00 0.00 C ATOM 524 CE LYS A 37 -0.151 -22.319 3.316 1.00 0.00 C ATOM 525 NZ LYS A 37 0.009 -21.004 3.998 1.00 0.00 N ATOM 0 H LYS A 37 -3.187 -20.535 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.213 -21.277 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.765 -20.182 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.949 -21.257 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.174 -23.104 1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.724 -22.191 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.303 -22.970 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.220 -21.229 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.047 -22.815 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.695 -22.961 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.356 -21.155 4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.692 -20.421 3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.909 -20.516 4.031 1.00 0.00 H new ATOM 539 N GLY A 38 -5.563 -19.172 1.091 1.00 0.00 N ATOM 540 CA GLY A 38 -6.411 -18.127 1.639 1.00 0.00 C ATOM 541 C GLY A 38 -6.547 -16.945 0.703 1.00 0.00 C ATOM 542 O GLY A 38 -6.587 -15.798 1.198 1.00 0.00 O ATOM 543 OXT GLY A 38 -6.619 -17.164 -0.488 1.00 0.00 O ATOM 0 H GLY A 38 -6.000 -19.742 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.399 -18.537 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.998 -17.789 2.589 1.00 0.00 H new TER 547 GLY A 38