USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=7 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.897 X(o=-0.9,f=-1.2) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= -1.1 (180deg=-1.13) USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= -1.16 (180deg=-2.62!) USER MOD Single : A 8 LYS NZ :NH3+ 155:sc= -0.0567 (180deg=-0.382) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.573 K(o=-0.57,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ -148:sc= -0.0173 (180deg=-1.25) USER MOD Single : A 24 SER OG : rot 180:sc= -0.452 USER MOD Single : A 25 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.036) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0079 USER MOD Single : A 31 ASN : amide:sc= -2.13 K(o=-2.1,f=-6.3!) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.00132) USER MOD Single : A 36 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.02) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.950 9.340 3.434 1.00 0.00 N ATOM 2 CA GLY A 1 8.104 9.418 4.913 1.00 0.00 C ATOM 3 C GLY A 1 7.591 8.178 5.614 1.00 0.00 C ATOM 4 O GLY A 1 8.230 7.125 5.570 1.00 0.00 O ATOM 0 H1 GLY A 1 8.315 10.212 3.000 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.483 8.524 3.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.944 9.230 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.156 9.562 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.568 10.291 5.286 1.00 0.00 H new ATOM 10 N ASP A 2 6.442 8.302 6.265 1.00 0.00 N ATOM 11 CA ASP A 2 5.843 7.179 6.981 1.00 0.00 C ATOM 12 C ASP A 2 6.773 6.682 8.081 1.00 0.00 C ATOM 13 O ASP A 2 7.960 6.996 8.095 1.00 0.00 O ATOM 14 CB ASP A 2 5.522 6.039 6.011 1.00 0.00 C ATOM 15 CG ASP A 2 4.764 6.513 4.787 1.00 0.00 C ATOM 16 OD1 ASP A 2 3.777 7.261 4.959 1.00 0.00 O ATOM 17 OD2 ASP A 2 5.153 6.146 3.664 1.00 0.00 O ATOM 0 H ASP A 2 5.905 9.168 6.313 1.00 0.00 H new ATOM 0 HA ASP A 2 4.917 7.524 7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.450 5.562 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.933 5.282 6.528 1.00 0.00 H new ATOM 22 N ASN A 3 6.218 5.899 9.005 1.00 0.00 N ATOM 23 CA ASN A 3 7.002 5.357 10.111 1.00 0.00 C ATOM 24 C ASN A 3 7.601 4.004 9.743 1.00 0.00 C ATOM 25 O ASN A 3 8.779 3.752 9.987 1.00 0.00 O ATOM 26 CB ASN A 3 6.123 5.213 11.356 1.00 0.00 C ATOM 27 CG ASN A 3 4.836 4.452 11.079 1.00 0.00 C ATOM 28 OD1 ASN A 3 4.804 3.224 11.152 1.00 0.00 O ATOM 29 ND2 ASN A 3 3.780 5.181 10.754 1.00 0.00 N ATOM 0 H ASN A 3 5.235 5.628 9.009 1.00 0.00 H new ATOM 0 HA ASN A 3 7.817 6.049 10.322 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.685 4.698 12.135 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.879 6.203 11.741 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.890 4.727 10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.857 6.197 10.707 1.00 0.00 H new ATOM 36 N LYS A 4 6.787 3.141 9.148 1.00 0.00 N ATOM 37 CA LYS A 4 7.237 1.815 8.738 1.00 0.00 C ATOM 38 C LYS A 4 7.736 1.828 7.295 1.00 0.00 C ATOM 39 O LYS A 4 7.024 2.283 6.395 1.00 0.00 O ATOM 40 CB LYS A 4 6.105 0.801 8.892 1.00 0.00 C ATOM 41 CG LYS A 4 6.499 -0.613 8.506 1.00 0.00 C ATOM 42 CD LYS A 4 6.236 -0.890 7.036 1.00 0.00 C ATOM 43 CE LYS A 4 4.938 -1.656 6.838 1.00 0.00 C ATOM 44 NZ LYS A 4 5.064 -3.047 7.281 1.00 0.00 N ATOM 0 H LYS A 4 5.808 3.336 8.938 1.00 0.00 H new ATOM 0 HA LYS A 4 8.066 1.524 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.764 0.804 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.261 1.115 8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.556 -0.767 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.942 -1.325 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.191 0.052 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.065 -1.462 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.137 -1.167 7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.657 -1.632 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.178 -3.555 7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.846 -3.505 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.258 -3.070 8.302 1.00 0.00 H new ATOM 58 N PRO A 5 8.961 1.335 7.047 1.00 0.00 N ATOM 59 CA PRO A 5 9.538 1.294 5.702 1.00 0.00 C ATOM 60 C PRO A 5 8.849 0.268 4.802 1.00 0.00 C ATOM 61 O PRO A 5 8.988 -0.935 5.006 1.00 0.00 O ATOM 62 CB PRO A 5 10.995 0.889 5.948 1.00 0.00 C ATOM 63 CG PRO A 5 10.963 0.132 7.234 1.00 0.00 C ATOM 64 CD PRO A 5 9.878 0.771 8.061 1.00 0.00 C ATOM 0 HA PRO A 5 9.426 2.248 5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.378 0.273 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.643 1.763 6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.752 -0.923 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.925 0.186 7.743 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.375 0.042 8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.276 1.545 8.717 1.00 0.00 H new ATOM 72 N PRO A 6 8.094 0.733 3.790 1.00 0.00 N ATOM 73 CA PRO A 6 7.384 -0.155 2.862 1.00 0.00 C ATOM 74 C PRO A 6 8.336 -0.916 1.948 1.00 0.00 C ATOM 75 O PRO A 6 9.526 -0.600 1.875 1.00 0.00 O ATOM 76 CB PRO A 6 6.506 0.794 2.052 1.00 0.00 C ATOM 77 CG PRO A 6 7.209 2.104 2.116 1.00 0.00 C ATOM 78 CD PRO A 6 7.867 2.156 3.471 1.00 0.00 C ATOM 0 HA PRO A 6 6.820 -0.924 3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.398 0.452 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.503 0.862 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.948 2.189 1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.508 2.929 1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.801 2.717 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.228 2.638 4.211 1.00 0.00 H new ATOM 86 N LYS A 7 7.809 -1.911 1.250 1.00 0.00 N ATOM 87 CA LYS A 7 8.611 -2.715 0.364 1.00 0.00 C ATOM 88 C LYS A 7 9.224 -1.845 -0.723 1.00 0.00 C ATOM 89 O LYS A 7 8.591 -0.917 -1.223 1.00 0.00 O ATOM 90 CB LYS A 7 7.760 -3.795 -0.260 1.00 0.00 C ATOM 91 CG LYS A 7 6.601 -3.268 -1.090 1.00 0.00 C ATOM 92 CD LYS A 7 6.321 -4.164 -2.287 1.00 0.00 C ATOM 93 CE LYS A 7 5.950 -3.351 -3.515 1.00 0.00 C ATOM 94 NZ LYS A 7 4.476 -3.284 -3.709 1.00 0.00 N ATOM 0 H LYS A 7 6.824 -2.175 1.286 1.00 0.00 H new ATOM 0 HA LYS A 7 9.413 -3.179 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.391 -4.420 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.366 -4.435 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.708 -3.200 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.828 -2.259 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.201 -4.770 -2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.511 -4.852 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.350 -2.342 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.413 -3.793 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.228 -2.388 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.167 -4.080 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.002 -3.337 -2.785 1.00 0.00 H new ATOM 108 N LYS A 8 10.461 -2.163 -1.097 1.00 0.00 N ATOM 109 CA LYS A 8 11.159 -1.412 -2.133 1.00 0.00 C ATOM 110 C LYS A 8 10.681 -1.821 -3.521 1.00 0.00 C ATOM 111 O LYS A 8 9.973 -2.811 -3.676 1.00 0.00 O ATOM 112 CB LYS A 8 12.671 -1.624 -2.026 1.00 0.00 C ATOM 113 CG LYS A 8 13.167 -1.833 -0.602 1.00 0.00 C ATOM 114 CD LYS A 8 14.676 -1.711 -0.512 1.00 0.00 C ATOM 115 CE LYS A 8 15.262 -2.720 0.456 1.00 0.00 C ATOM 116 NZ LYS A 8 15.095 -4.115 -0.025 1.00 0.00 N ATOM 0 H LYS A 8 10.998 -2.933 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 8 10.935 -0.356 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.950 -2.489 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.180 -0.760 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.702 -1.100 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.860 -2.818 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.113 -1.858 -1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.941 -0.703 -0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.322 -2.511 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.781 -2.612 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.831 -4.718 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.157 -4.468 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.179 -4.137 -1.061 1.00 0.00 H new ATOM 130 N GLY A 9 11.071 -1.052 -4.527 1.00 0.00 N ATOM 131 CA GLY A 9 10.674 -1.343 -5.892 1.00 0.00 C ATOM 132 C GLY A 9 9.165 -1.377 -6.064 1.00 0.00 C ATOM 133 O GLY A 9 8.621 -2.342 -6.597 1.00 0.00 O ATOM 0 H GLY A 9 11.660 -0.226 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.096 -0.590 -6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.092 -2.304 -6.192 1.00 0.00 H new ATOM 137 N PRO A 10 8.456 -0.326 -5.618 1.00 0.00 N ATOM 138 CA PRO A 10 6.996 -0.250 -5.735 1.00 0.00 C ATOM 139 C PRO A 10 6.542 -0.019 -7.171 1.00 0.00 C ATOM 140 O PRO A 10 7.326 0.393 -8.026 1.00 0.00 O ATOM 141 CB PRO A 10 6.638 0.950 -4.859 1.00 0.00 C ATOM 142 CG PRO A 10 7.849 1.811 -4.881 1.00 0.00 C ATOM 143 CD PRO A 10 9.025 0.870 -4.971 1.00 0.00 C ATOM 0 HA PRO A 10 6.510 -1.178 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.769 1.480 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.392 0.639 -3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.828 2.492 -5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.908 2.425 -3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.837 1.297 -5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.431 0.639 -3.986 1.00 0.00 H new ATOM 151 N PRO A 11 5.259 -0.296 -7.465 1.00 0.00 N ATOM 152 CA PRO A 11 4.698 -0.117 -8.805 1.00 0.00 C ATOM 153 C PRO A 11 4.572 1.350 -9.191 1.00 0.00 C ATOM 154 O PRO A 11 3.939 2.135 -8.482 1.00 0.00 O ATOM 155 CB PRO A 11 3.317 -0.758 -8.704 1.00 0.00 C ATOM 156 CG PRO A 11 2.959 -0.666 -7.261 1.00 0.00 C ATOM 157 CD PRO A 11 4.253 -0.797 -6.508 1.00 0.00 C ATOM 0 HA PRO A 11 5.334 -0.560 -9.571 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.591 -0.234 -9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.336 -1.794 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.472 0.283 -7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.262 -1.455 -6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.245 -0.210 -5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.449 -1.831 -6.223 1.00 0.00 H new ATOM 165 N ASN A 12 5.180 1.714 -10.314 1.00 0.00 N ATOM 166 CA ASN A 12 5.134 3.092 -10.790 1.00 0.00 C ATOM 167 C ASN A 12 3.700 3.539 -11.046 1.00 0.00 C ATOM 168 O ASN A 12 3.184 3.404 -12.154 1.00 0.00 O ATOM 169 CB ASN A 12 5.958 3.236 -12.075 1.00 0.00 C ATOM 170 CG ASN A 12 7.451 3.244 -11.806 1.00 0.00 C ATOM 171 OD1 ASN A 12 8.019 4.270 -11.438 1.00 0.00 O ATOM 172 ND2 ASN A 12 8.091 2.095 -11.994 1.00 0.00 N ATOM 0 H ASN A 12 5.709 1.077 -10.910 1.00 0.00 H new ATOM 0 HA ASN A 12 5.559 3.728 -10.014 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.718 2.416 -12.751 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.678 4.160 -12.582 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.096 2.039 -11.832 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.577 1.269 -12.300 1.00 0.00 H new ATOM 179 N GLY A 13 3.059 4.065 -10.007 1.00 0.00 N ATOM 180 CA GLY A 13 1.701 4.517 -10.134 1.00 0.00 C ATOM 181 C GLY A 13 0.969 4.505 -8.814 1.00 0.00 C ATOM 182 O GLY A 13 0.377 5.511 -8.416 1.00 0.00 O ATOM 0 H GLY A 13 3.465 4.183 -9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.693 5.528 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.174 3.882 -10.845 1.00 0.00 H new ATOM 186 N CYS A 14 0.996 3.369 -8.125 1.00 0.00 N ATOM 187 CA CYS A 14 0.328 3.235 -6.839 1.00 0.00 C ATOM 188 C CYS A 14 1.262 2.731 -5.775 1.00 0.00 C ATOM 189 O CYS A 14 2.380 2.300 -6.078 1.00 0.00 O ATOM 190 CB CYS A 14 -0.857 2.273 -6.965 1.00 0.00 C ATOM 191 SG CYS A 14 -2.429 3.092 -7.373 1.00 0.00 S ATOM 0 H CYS A 14 1.476 2.525 -8.439 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.021 4.225 -6.546 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.633 1.534 -7.735 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.974 1.731 -6.027 1.00 0.00 H new ATOM 196 N PHE A 15 0.831 2.781 -4.521 1.00 0.00 N ATOM 197 CA PHE A 15 1.645 2.328 -3.404 1.00 0.00 C ATOM 198 C PHE A 15 1.646 0.806 -3.311 1.00 0.00 C ATOM 199 O PHE A 15 1.029 0.122 -4.127 1.00 0.00 O ATOM 200 CB PHE A 15 1.141 2.941 -2.096 1.00 0.00 C ATOM 201 CG PHE A 15 0.592 4.314 -2.245 1.00 0.00 C ATOM 202 CD1 PHE A 15 1.402 5.430 -2.218 1.00 0.00 C ATOM 203 CD2 PHE A 15 -0.763 4.504 -2.407 1.00 0.00 C ATOM 204 CE1 PHE A 15 0.903 6.700 -2.354 1.00 0.00 C ATOM 205 CE2 PHE A 15 -1.290 5.776 -2.545 1.00 0.00 C ATOM 206 CZ PHE A 15 -0.449 6.874 -2.518 1.00 0.00 C ATOM 0 H PHE A 15 -0.087 3.135 -4.252 1.00 0.00 H new ATOM 0 HA PHE A 15 2.670 2.658 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.369 2.295 -1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.961 2.964 -1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.466 5.299 -2.085 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.422 3.649 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.565 7.553 -2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.354 5.911 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.856 7.869 -2.626 1.00 0.00 H new ATOM 216 N GLY A 16 2.357 0.274 -2.318 1.00 0.00 N ATOM 217 CA GLY A 16 2.441 -1.153 -2.139 1.00 0.00 C ATOM 218 C GLY A 16 1.084 -1.786 -1.970 1.00 0.00 C ATOM 219 O GLY A 16 0.051 -1.169 -2.237 1.00 0.00 O ATOM 0 H GLY A 16 2.879 0.819 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.942 -1.597 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.054 -1.372 -1.265 1.00 0.00 H new ATOM 223 N HIS A 17 1.085 -3.037 -1.524 1.00 0.00 N ATOM 224 CA HIS A 17 -0.146 -3.783 -1.317 1.00 0.00 C ATOM 225 C HIS A 17 -1.040 -3.083 -0.305 1.00 0.00 C ATOM 226 O HIS A 17 -0.687 -2.037 0.208 1.00 0.00 O ATOM 227 CB HIS A 17 0.167 -5.199 -0.838 1.00 0.00 C ATOM 228 CG HIS A 17 0.532 -6.140 -1.941 1.00 0.00 C ATOM 229 ND1 HIS A 17 -0.125 -6.170 -3.152 1.00 0.00 N ATOM 230 CD2 HIS A 17 1.496 -7.089 -2.021 1.00 0.00 C ATOM 231 CE1 HIS A 17 0.414 -7.094 -3.928 1.00 0.00 C ATOM 232 NE2 HIS A 17 1.400 -7.666 -3.261 1.00 0.00 N ATOM 0 H HIS A 17 1.933 -3.557 -1.298 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.674 -3.835 -2.269 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.987 -5.158 -0.121 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.700 -5.594 -0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.208 -7.344 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.102 -7.339 -4.933 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.995 -8.417 -3.612 1.00 0.00 H new ATOM 241 N LYS A 18 -2.177 -3.672 -0.075 1.00 0.00 N ATOM 242 CA LYS A 18 -3.144 -3.110 0.846 1.00 0.00 C ATOM 243 C LYS A 18 -2.875 -3.590 2.273 1.00 0.00 C ATOM 244 O LYS A 18 -3.795 -4.004 2.982 1.00 0.00 O ATOM 245 CB LYS A 18 -4.565 -3.476 0.427 1.00 0.00 C ATOM 246 CG LYS A 18 -4.893 -4.953 0.592 1.00 0.00 C ATOM 247 CD LYS A 18 -5.910 -5.187 1.700 1.00 0.00 C ATOM 248 CE LYS A 18 -7.308 -5.411 1.144 1.00 0.00 C ATOM 249 NZ LYS A 18 -7.441 -6.747 0.502 1.00 0.00 N ATOM 0 H LYS A 18 -2.466 -4.547 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.043 -2.025 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.270 -2.889 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.710 -3.196 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.282 -5.346 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.980 -5.505 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.611 -6.052 2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.919 -4.329 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.038 -5.320 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.538 -4.633 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.117 -6.688 -0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.515 -7.052 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.784 -7.436 1.202 1.00 0.00 H new ATOM 263 N ILE A 19 -1.640 -3.524 2.688 1.00 0.00 N ATOM 264 CA ILE A 19 -1.265 -3.950 4.036 1.00 0.00 C ATOM 265 C ILE A 19 -0.889 -2.751 4.898 1.00 0.00 C ATOM 266 O ILE A 19 -1.621 -2.371 5.806 1.00 0.00 O ATOM 267 CB ILE A 19 -0.090 -4.950 4.015 1.00 0.00 C ATOM 268 CG1 ILE A 19 -0.091 -5.762 2.714 1.00 0.00 C ATOM 269 CG2 ILE A 19 -0.164 -5.875 5.223 1.00 0.00 C ATOM 270 CD1 ILE A 19 0.977 -6.829 2.662 1.00 0.00 C ATOM 0 H ILE A 19 -0.864 -3.181 2.121 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.135 -4.448 4.464 1.00 0.00 H new ATOM 0 HB ILE A 19 0.843 -4.388 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.067 -6.231 2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.045 -5.083 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.671 -6.576 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.113 -5.284 6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.103 -6.428 5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.914 -7.361 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.959 -6.365 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.830 -7.532 3.482 1.00 0.00 H new ATOM 282 N ASP A 20 0.263 -2.153 4.598 1.00 0.00 N ATOM 283 CA ASP A 20 0.746 -0.995 5.325 1.00 0.00 C ATOM 284 C ASP A 20 0.501 -1.118 6.832 1.00 0.00 C ATOM 285 O ASP A 20 -0.563 -0.758 7.324 1.00 0.00 O ATOM 286 CB ASP A 20 0.078 0.255 4.786 1.00 0.00 C ATOM 287 CG ASP A 20 0.421 1.492 5.603 1.00 0.00 C ATOM 288 OD1 ASP A 20 1.580 1.598 6.054 1.00 0.00 O ATOM 289 OD2 ASP A 20 -0.467 2.345 5.783 1.00 0.00 O ATOM 0 H ASP A 20 0.880 -2.461 3.847 1.00 0.00 H new ATOM 0 HA ASP A 20 1.824 -0.932 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.383 0.410 3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.003 0.113 4.782 1.00 0.00 H new ATOM 294 N ARG A 21 1.499 -1.624 7.553 1.00 0.00 N ATOM 295 CA ARG A 21 1.382 -1.775 8.999 1.00 0.00 C ATOM 296 C ARG A 21 1.135 -0.445 9.660 1.00 0.00 C ATOM 297 O ARG A 21 2.082 0.254 10.020 1.00 0.00 O ATOM 298 CB ARG A 21 2.647 -2.419 9.565 1.00 0.00 C ATOM 299 CG ARG A 21 2.473 -3.887 9.929 1.00 0.00 C ATOM 300 CD ARG A 21 1.522 -4.056 11.100 1.00 0.00 C ATOM 301 NE ARG A 21 2.109 -3.601 12.359 1.00 0.00 N ATOM 302 CZ ARG A 21 2.993 -4.304 13.063 1.00 0.00 C ATOM 303 NH1 ARG A 21 3.391 -5.498 12.637 1.00 0.00 N ATOM 304 NH2 ARG A 21 3.478 -3.814 14.195 1.00 0.00 N ATOM 0 H ARG A 21 2.389 -1.933 7.163 1.00 0.00 H new ATOM 0 HA ARG A 21 0.530 -2.422 9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.450 -2.327 8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.960 -1.868 10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.093 -4.435 9.067 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.442 -4.319 10.179 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.606 -3.498 10.905 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.242 -5.106 11.190 1.00 0.00 H new ATOM 0 HE ARG A 21 1.824 -2.690 12.720 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.019 -5.879 11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.069 -6.033 13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.174 -2.899 14.526 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.156 -4.352 14.735 1.00 0.00 H new ATOM 318 N ILE A 22 -0.130 -0.085 9.807 1.00 0.00 N ATOM 319 CA ILE A 22 -0.498 1.186 10.417 1.00 0.00 C ATOM 320 C ILE A 22 0.143 2.348 9.664 1.00 0.00 C ATOM 321 O ILE A 22 0.953 2.138 8.759 1.00 0.00 O ATOM 322 CB ILE A 22 -0.086 1.264 11.902 1.00 0.00 C ATOM 323 CG1 ILE A 22 -0.072 -0.121 12.542 1.00 0.00 C ATOM 324 CG2 ILE A 22 -1.032 2.185 12.662 1.00 0.00 C ATOM 325 CD1 ILE A 22 0.318 -0.116 14.002 1.00 0.00 C ATOM 0 H ILE A 22 -0.922 -0.656 9.512 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.584 1.256 10.359 1.00 0.00 H new ATOM 0 HB ILE A 22 0.924 1.671 11.953 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.061 -0.567 12.442 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.622 -0.758 11.993 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.731 2.232 13.709 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.994 3.184 12.228 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.049 1.799 12.594 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.305 -1.136 14.386 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.320 0.299 14.110 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.389 0.493 14.565 1.00 0.00 H new ATOM 337 N GLY A 23 -0.214 3.570 10.031 1.00 0.00 N ATOM 338 CA GLY A 23 0.336 4.737 9.373 1.00 0.00 C ATOM 339 C GLY A 23 -0.694 5.574 8.697 1.00 0.00 C ATOM 340 O GLY A 23 -1.074 5.306 7.559 1.00 0.00 O ATOM 0 H GLY A 23 -0.879 3.775 10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.863 5.345 10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.074 4.417 8.637 1.00 0.00 H new ATOM 344 N SER A 24 -1.172 6.596 9.402 1.00 0.00 N ATOM 345 CA SER A 24 -2.195 7.488 8.875 1.00 0.00 C ATOM 346 C SER A 24 -1.820 8.003 7.487 1.00 0.00 C ATOM 347 O SER A 24 -2.560 7.818 6.526 1.00 0.00 O ATOM 348 CB SER A 24 -2.396 8.666 9.825 1.00 0.00 C ATOM 349 OG SER A 24 -1.361 9.619 9.690 1.00 0.00 O ATOM 0 H SER A 24 -0.863 6.826 10.346 1.00 0.00 H new ATOM 0 HA SER A 24 -3.124 6.924 8.789 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.357 9.139 9.623 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.429 8.305 10.853 1.00 0.00 H new ATOM 0 HG SER A 24 -1.518 10.362 10.309 1.00 0.00 H new ATOM 355 N HIS A 25 -0.663 8.656 7.403 1.00 0.00 N ATOM 356 CA HIS A 25 -0.179 9.209 6.143 1.00 0.00 C ATOM 357 C HIS A 25 -0.285 8.191 5.012 1.00 0.00 C ATOM 358 O HIS A 25 -0.902 8.452 3.983 1.00 0.00 O ATOM 359 CB HIS A 25 1.254 9.658 6.298 1.00 0.00 C ATOM 360 CG HIS A 25 1.597 10.876 5.491 1.00 0.00 C ATOM 361 ND1 HIS A 25 2.831 11.480 5.525 1.00 0.00 N ATOM 362 CD2 HIS A 25 0.865 11.603 4.631 1.00 0.00 C ATOM 363 CE1 HIS A 25 2.832 12.527 4.716 1.00 0.00 C ATOM 364 NE2 HIS A 25 1.664 12.617 4.166 1.00 0.00 N ATOM 0 H HIS A 25 -0.042 8.815 8.197 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.804 10.064 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.449 9.864 7.350 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.915 8.842 6.006 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.164 11.423 4.356 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.665 13.193 4.544 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.382 13.329 3.493 1.00 0.00 H new ATOM 373 N SER A 26 0.318 7.025 5.214 1.00 0.00 N ATOM 374 CA SER A 26 0.298 5.962 4.214 1.00 0.00 C ATOM 375 C SER A 26 -1.108 5.717 3.696 1.00 0.00 C ATOM 376 O SER A 26 -2.088 6.036 4.368 1.00 0.00 O ATOM 377 CB SER A 26 0.840 4.677 4.805 1.00 0.00 C ATOM 378 OG SER A 26 2.249 4.753 4.959 1.00 0.00 O ATOM 0 H SER A 26 0.829 6.791 6.065 1.00 0.00 H new ATOM 0 HA SER A 26 0.926 6.281 3.382 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.373 4.490 5.772 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.584 3.837 4.159 1.00 0.00 H new ATOM 0 HG SER A 26 2.582 3.915 5.344 1.00 0.00 H new ATOM 384 N GLY A 27 -1.205 5.159 2.496 1.00 0.00 N ATOM 385 CA GLY A 27 -2.502 4.887 1.906 1.00 0.00 C ATOM 386 C GLY A 27 -2.403 4.002 0.680 1.00 0.00 C ATOM 387 O GLY A 27 -2.640 4.452 -0.408 1.00 0.00 O ATOM 0 H GLY A 27 -0.408 4.890 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.142 4.407 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.979 5.828 1.634 1.00 0.00 H new ATOM 391 N LEU A 28 -2.052 2.738 0.895 1.00 0.00 N ATOM 392 CA LEU A 28 -1.918 1.788 -0.176 1.00 0.00 C ATOM 393 C LEU A 28 -3.282 1.283 -0.631 1.00 0.00 C ATOM 394 O LEU A 28 -4.317 1.799 -0.245 1.00 0.00 O ATOM 395 CB LEU A 28 -1.041 0.605 0.225 1.00 0.00 C ATOM 396 CG LEU A 28 0.039 0.944 1.225 1.00 0.00 C ATOM 397 CD1 LEU A 28 0.920 -0.270 1.462 1.00 0.00 C ATOM 398 CD2 LEU A 28 0.880 2.116 0.734 1.00 0.00 C ATOM 0 H LEU A 28 -1.855 2.355 1.820 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.435 2.308 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.675 -0.177 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.575 0.193 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.434 1.233 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.697 -0.020 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.314 -1.089 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.382 -0.574 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.652 2.343 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.349 1.855 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.242 2.989 0.596 1.00 0.00 H new ATOM 410 N GLY A 29 -3.269 0.282 -1.490 1.00 0.00 N ATOM 411 CA GLY A 29 -4.500 -0.257 -2.005 1.00 0.00 C ATOM 412 C GLY A 29 -4.659 -0.046 -3.496 1.00 0.00 C ATOM 413 O GLY A 29 -5.434 0.789 -3.936 1.00 0.00 O ATOM 0 H GLY A 29 -2.423 -0.168 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.542 -1.324 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.339 0.207 -1.486 1.00 0.00 H new ATOM 417 N CYS A 30 -3.916 -0.820 -4.282 1.00 0.00 N ATOM 418 CA CYS A 30 -3.968 -0.711 -5.734 1.00 0.00 C ATOM 419 C CYS A 30 -3.612 -2.038 -6.396 1.00 0.00 C ATOM 420 O CYS A 30 -4.388 -2.585 -7.175 1.00 0.00 O ATOM 421 CB CYS A 30 -3.017 0.367 -6.210 1.00 0.00 C ATOM 422 SG CYS A 30 -3.793 1.594 -7.308 1.00 0.00 S ATOM 0 H CYS A 30 -3.270 -1.530 -3.936 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.987 -0.446 -6.016 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.600 0.880 -5.343 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.184 -0.101 -6.734 1.00 0.00 H new ATOM 427 N ASN A 31 -2.428 -2.552 -6.077 1.00 0.00 N ATOM 428 CA ASN A 31 -1.957 -3.807 -6.643 1.00 0.00 C ATOM 429 C ASN A 31 -2.970 -4.929 -6.402 1.00 0.00 C ATOM 430 O ASN A 31 -4.034 -4.709 -5.827 1.00 0.00 O ATOM 431 CB ASN A 31 -0.639 -4.179 -6.029 1.00 0.00 C ATOM 432 CG ASN A 31 0.342 -3.022 -6.042 1.00 0.00 C ATOM 433 OD1 ASN A 31 0.144 -2.029 -6.744 1.00 0.00 O ATOM 434 ND2 ASN A 31 1.417 -3.149 -5.271 1.00 0.00 N ATOM 0 H ASN A 31 -1.776 -2.114 -5.426 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.836 -3.674 -7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.798 -4.508 -5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.212 -5.022 -6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.117 -2.407 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.542 -3.988 -4.705 1.00 0.00 H new ATOM 441 N LYS A 32 -2.629 -6.130 -6.854 1.00 0.00 N ATOM 442 CA LYS A 32 -3.501 -7.286 -6.695 1.00 0.00 C ATOM 443 C LYS A 32 -3.833 -7.522 -5.224 1.00 0.00 C ATOM 444 O LYS A 32 -3.020 -8.069 -4.479 1.00 0.00 O ATOM 445 CB LYS A 32 -2.837 -8.528 -7.293 1.00 0.00 C ATOM 446 CG LYS A 32 -1.394 -8.664 -6.927 1.00 0.00 C ATOM 447 CD LYS A 32 -0.889 -10.073 -7.189 1.00 0.00 C ATOM 448 CE LYS A 32 -0.301 -10.203 -8.587 1.00 0.00 C ATOM 449 NZ LYS A 32 -1.302 -10.722 -9.562 1.00 0.00 N ATOM 0 H LYS A 32 -1.752 -6.328 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.433 -7.088 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.374 -9.415 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.927 -8.492 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.802 -7.951 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.259 -8.417 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.132 -10.333 -6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.708 -10.782 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.061 -9.231 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.560 -10.871 -8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.967 -10.545 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.427 -11.745 -9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.211 -10.239 -9.417 1.00 0.00 H new ATOM 463 N VAL A 33 -5.026 -7.107 -4.817 1.00 0.00 N ATOM 464 CA VAL A 33 -5.465 -7.271 -3.447 1.00 0.00 C ATOM 465 C VAL A 33 -6.628 -8.251 -3.351 1.00 0.00 C ATOM 466 O VAL A 33 -7.580 -8.177 -4.127 1.00 0.00 O ATOM 467 CB VAL A 33 -5.897 -5.929 -2.830 1.00 0.00 C ATOM 468 CG1 VAL A 33 -4.705 -4.995 -2.695 1.00 0.00 C ATOM 469 CG2 VAL A 33 -6.992 -5.283 -3.669 1.00 0.00 C ATOM 0 H VAL A 33 -5.707 -6.652 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.613 -7.665 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.296 -6.121 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.030 -4.051 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.954 -5.454 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.275 -4.809 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.285 -4.335 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.620 -5.105 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.856 -5.946 -3.713 1.00 0.00 H new ATOM 479 N ASP A 34 -6.539 -9.172 -2.398 1.00 0.00 N ATOM 480 CA ASP A 34 -7.576 -10.171 -2.201 1.00 0.00 C ATOM 481 C ASP A 34 -8.845 -9.536 -1.627 1.00 0.00 C ATOM 482 O ASP A 34 -9.258 -9.854 -0.532 1.00 0.00 O ATOM 483 CB ASP A 34 -7.067 -11.266 -1.264 1.00 0.00 C ATOM 484 CG ASP A 34 -5.664 -11.723 -1.610 1.00 0.00 C ATOM 485 OD1 ASP A 34 -5.521 -12.533 -2.556 1.00 0.00 O ATOM 486 OD2 ASP A 34 -4.712 -11.271 -0.943 1.00 0.00 O ATOM 0 H ASP A 34 -5.755 -9.245 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.823 -10.609 -3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.083 -10.898 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.744 -12.119 -1.307 1.00 0.00 H new ATOM 491 N ASP A 35 -9.451 -8.640 -2.398 1.00 0.00 N ATOM 492 CA ASP A 35 -10.666 -7.963 -1.968 1.00 0.00 C ATOM 493 C ASP A 35 -11.825 -8.951 -1.836 1.00 0.00 C ATOM 494 O ASP A 35 -12.339 -9.455 -2.838 1.00 0.00 O ATOM 495 CB ASP A 35 -11.036 -6.854 -2.956 1.00 0.00 C ATOM 496 CG ASP A 35 -12.043 -5.878 -2.379 1.00 0.00 C ATOM 497 OD1 ASP A 35 -13.213 -6.277 -2.182 1.00 0.00 O ATOM 498 OD2 ASP A 35 -11.666 -4.715 -2.122 1.00 0.00 O ATOM 0 H ASP A 35 -9.120 -8.367 -3.323 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.477 -7.520 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.135 -6.313 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.445 -7.300 -3.863 1.00 0.00 H new ATOM 503 N ASN A 36 -12.223 -9.227 -0.622 1.00 0.00 N ATOM 504 CA ASN A 36 -13.314 -10.158 -0.364 1.00 0.00 C ATOM 505 C ASN A 36 -14.545 -9.811 -1.185 1.00 0.00 C ATOM 506 O ASN A 36 -15.302 -8.903 -0.848 1.00 0.00 O ATOM 507 CB ASN A 36 -13.669 -10.147 1.122 1.00 0.00 C ATOM 508 CG ASN A 36 -12.504 -10.560 1.997 1.00 0.00 C ATOM 509 OD1 ASN A 36 -12.333 -11.742 2.308 1.00 0.00 O ATOM 510 ND2 ASN A 36 -11.692 -9.592 2.402 1.00 0.00 N ATOM 0 H ASN A 36 -11.810 -8.821 0.218 1.00 0.00 H new ATOM 0 HA ASN A 36 -12.980 -11.154 -0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.997 -9.147 1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.508 -10.820 1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.891 -9.813 2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -11.869 -8.627 2.122 1.00 0.00 H new ATOM 517 N LYS A 37 -14.744 -10.539 -2.255 1.00 0.00 N ATOM 518 CA LYS A 37 -15.883 -10.310 -3.138 1.00 0.00 C ATOM 519 C LYS A 37 -17.165 -10.855 -2.520 1.00 0.00 C ATOM 520 O LYS A 37 -17.605 -11.957 -2.847 1.00 0.00 O ATOM 521 CB LYS A 37 -15.642 -10.963 -4.502 1.00 0.00 C ATOM 522 CG LYS A 37 -16.730 -10.658 -5.520 1.00 0.00 C ATOM 523 CD LYS A 37 -16.382 -11.227 -6.893 1.00 0.00 C ATOM 524 CE LYS A 37 -16.966 -10.376 -8.008 1.00 0.00 C ATOM 525 NZ LYS A 37 -16.052 -10.293 -9.178 1.00 0.00 N ATOM 0 H LYS A 37 -14.133 -11.303 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.994 -9.234 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.683 -10.624 -4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.570 -12.043 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.677 -11.077 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.868 -9.579 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.299 -11.281 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.761 -12.246 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.922 -10.796 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.167 -9.373 -7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.486 -9.704 -9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.149 -9.869 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.880 -11.248 -9.553 1.00 0.00 H new ATOM 539 N GLY A 38 -17.762 -10.076 -1.642 1.00 0.00 N ATOM 540 CA GLY A 38 -18.986 -10.498 -0.999 1.00 0.00 C ATOM 541 C GLY A 38 -19.072 -10.026 0.435 1.00 0.00 C ATOM 542 O GLY A 38 -18.868 -10.858 1.345 1.00 0.00 O ATOM 543 OXT GLY A 38 -19.346 -8.827 0.653 1.00 0.00 O ATOM 0 H GLY A 38 -17.423 -9.156 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.839 -10.113 -1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -19.052 -11.586 -1.026 1.00 0.00 H new TER 547 GLY A 38