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 32 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.304) USER MOD Set 1.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -0.44 F(o=-1.9,f=-0.58) USER MOD Set 2.2: A 31 ASN :FLIP amide:sc= -0.143 F(o=-1.1,f=-0.58) USER MOD Set 3.1: A 1 GLY N :NH3+ -111:sc= 1.03 (180deg=0) USER MOD Set 3.2: A 25 HIS : no HD1:sc= 0.254 K(o=1.3,f=-6.2!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -114:sc= -1.79! (180deg=-1.97!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.00696 X(o=-0.007,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= -4.39! (180deg=-5.18!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 26 SER OG : rot 110:sc= -0.797 USER MOD Single : A 36 ASN : amide:sc= -0.0299 X(o=-0.03,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.378 10.791 4.480 1.00 0.00 N ATOM 2 CA GLY A 1 4.768 10.601 3.978 1.00 0.00 C ATOM 3 C GLY A 1 5.806 11.193 4.909 1.00 0.00 C ATOM 4 O GLY A 1 5.509 11.507 6.062 1.00 0.00 O ATOM 0 H1 GLY A 1 2.982 9.872 4.762 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.390 11.429 5.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.791 11.205 3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.963 9.536 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.862 11.061 2.994 1.00 0.00 H new ATOM 10 N ASP A 2 7.029 11.351 4.405 1.00 0.00 N ATOM 11 CA ASP A 2 8.120 11.911 5.197 1.00 0.00 C ATOM 12 C ASP A 2 8.534 10.957 6.312 1.00 0.00 C ATOM 13 O ASP A 2 9.630 10.398 6.290 1.00 0.00 O ATOM 14 CB ASP A 2 7.716 13.264 5.791 1.00 0.00 C ATOM 15 CG ASP A 2 7.095 14.184 4.757 1.00 0.00 C ATOM 16 OD1 ASP A 2 7.587 14.207 3.609 1.00 0.00 O ATOM 17 OD2 ASP A 2 6.119 14.884 5.097 1.00 0.00 O ATOM 0 H ASP A 2 7.288 11.099 3.451 1.00 0.00 H new ATOM 0 HA ASP A 2 8.972 12.056 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.008 13.104 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.594 13.746 6.222 1.00 0.00 H new ATOM 22 N ASN A 3 7.651 10.773 7.287 1.00 0.00 N ATOM 23 CA ASN A 3 7.925 9.884 8.411 1.00 0.00 C ATOM 24 C ASN A 3 7.785 8.423 7.995 1.00 0.00 C ATOM 25 O ASN A 3 8.493 7.552 8.499 1.00 0.00 O ATOM 26 CB ASN A 3 6.979 10.193 9.575 1.00 0.00 C ATOM 27 CG ASN A 3 7.683 10.891 10.721 1.00 0.00 C ATOM 28 OD1 ASN A 3 8.122 10.253 11.678 1.00 0.00 O ATOM 29 ND2 ASN A 3 7.797 12.211 10.630 1.00 0.00 N ATOM 0 H ASN A 3 6.739 11.228 7.322 1.00 0.00 H new ATOM 0 HA ASN A 3 8.952 10.052 8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.161 10.820 9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.536 9.265 9.936 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.263 12.735 11.371 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.419 12.701 9.819 1.00 0.00 H new ATOM 36 N LYS A 4 6.862 8.161 7.077 1.00 0.00 N ATOM 37 CA LYS A 4 6.626 6.806 6.593 1.00 0.00 C ATOM 38 C LYS A 4 7.183 6.625 5.184 1.00 0.00 C ATOM 39 O LYS A 4 6.469 6.803 4.197 1.00 0.00 O ATOM 40 CB LYS A 4 5.129 6.490 6.604 1.00 0.00 C ATOM 41 CG LYS A 4 4.823 5.004 6.704 1.00 0.00 C ATOM 42 CD LYS A 4 4.695 4.369 5.327 1.00 0.00 C ATOM 43 CE LYS A 4 5.292 2.973 5.302 1.00 0.00 C ATOM 44 NZ LYS A 4 4.952 2.246 4.048 1.00 0.00 N ATOM 0 H LYS A 4 6.264 8.870 6.652 1.00 0.00 H new ATOM 0 HA LYS A 4 7.142 6.116 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.663 7.006 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.676 6.886 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.614 4.505 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.897 4.858 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.644 4.322 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.197 4.994 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.375 3.040 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.928 2.407 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.339 1.436 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.455 2.888 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.825 1.905 3.597 1.00 0.00 H new ATOM 58 N PRO A 5 8.475 6.266 5.071 1.00 0.00 N ATOM 59 CA PRO A 5 9.126 6.061 3.772 1.00 0.00 C ATOM 60 C PRO A 5 8.624 4.804 3.066 1.00 0.00 C ATOM 61 O PRO A 5 8.909 3.686 3.496 1.00 0.00 O ATOM 62 CB PRO A 5 10.604 5.911 4.140 1.00 0.00 C ATOM 63 CG PRO A 5 10.598 5.411 5.542 1.00 0.00 C ATOM 64 CD PRO A 5 9.398 6.031 6.198 1.00 0.00 C ATOM 0 HA PRO A 5 8.924 6.878 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.109 5.212 3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.130 6.863 4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.538 4.323 5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.515 5.692 6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.960 5.368 6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.654 6.960 6.708 1.00 0.00 H new ATOM 72 N PRO A 6 7.868 4.968 1.964 1.00 0.00 N ATOM 73 CA PRO A 6 7.335 3.836 1.201 1.00 0.00 C ATOM 74 C PRO A 6 8.427 3.063 0.468 1.00 0.00 C ATOM 75 O PRO A 6 9.566 3.521 0.370 1.00 0.00 O ATOM 76 CB PRO A 6 6.383 4.496 0.199 1.00 0.00 C ATOM 77 CG PRO A 6 6.905 5.881 0.037 1.00 0.00 C ATOM 78 CD PRO A 6 7.478 6.264 1.372 1.00 0.00 C ATOM 0 HA PRO A 6 6.853 3.103 1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.376 3.962 -0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.358 4.500 0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.667 5.923 -0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.110 6.566 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.334 6.930 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.745 6.783 1.990 1.00 0.00 H new ATOM 86 N LYS A 7 8.073 1.888 -0.040 1.00 0.00 N ATOM 87 CA LYS A 7 9.024 1.053 -0.733 1.00 0.00 C ATOM 88 C LYS A 7 9.565 1.781 -1.958 1.00 0.00 C ATOM 89 O LYS A 7 8.991 2.771 -2.409 1.00 0.00 O ATOM 90 CB LYS A 7 8.360 -0.226 -1.155 1.00 0.00 C ATOM 91 CG LYS A 7 7.211 -0.041 -2.132 1.00 0.00 C ATOM 92 CD LYS A 7 7.132 -1.185 -3.124 1.00 0.00 C ATOM 93 CE LYS A 7 5.695 -1.485 -3.518 1.00 0.00 C ATOM 94 NZ LYS A 7 5.582 -2.756 -4.281 1.00 0.00 N ATOM 0 H LYS A 7 7.132 1.499 0.019 1.00 0.00 H new ATOM 0 HA LYS A 7 9.852 0.826 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.107 -0.877 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.988 -0.739 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.273 0.030 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.337 0.899 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.710 -0.936 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.584 -2.076 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.078 -1.544 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.305 -0.664 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.586 -2.924 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.150 -2.691 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.930 -3.543 -3.697 1.00 0.00 H new ATOM 108 N LYS A 8 10.678 1.280 -2.493 1.00 0.00 N ATOM 109 CA LYS A 8 11.300 1.886 -3.669 1.00 0.00 C ATOM 110 C LYS A 8 10.294 2.085 -4.792 1.00 0.00 C ATOM 111 O LYS A 8 9.123 1.731 -4.668 1.00 0.00 O ATOM 112 CB LYS A 8 12.471 1.032 -4.176 1.00 0.00 C ATOM 113 CG LYS A 8 12.336 -0.419 -3.882 1.00 0.00 C ATOM 114 CD LYS A 8 13.121 -0.815 -2.642 1.00 0.00 C ATOM 115 CE LYS A 8 14.499 -1.343 -3.003 1.00 0.00 C ATOM 116 NZ LYS A 8 14.970 -2.375 -2.038 1.00 0.00 N ATOM 0 H LYS A 8 11.165 0.460 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 8 11.677 2.862 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.565 1.166 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.395 1.398 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.284 -0.666 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.688 -0.998 -4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.221 0.047 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.571 -1.577 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.473 -1.769 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.210 -0.517 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.914 -2.709 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.020 -1.962 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.306 -3.175 -2.034 1.00 0.00 H new ATOM 130 N GLY A 9 10.770 2.655 -5.888 1.00 0.00 N ATOM 131 CA GLY A 9 9.916 2.902 -7.035 1.00 0.00 C ATOM 132 C GLY A 9 9.277 1.631 -7.570 1.00 0.00 C ATOM 133 O GLY A 9 9.966 0.791 -8.152 1.00 0.00 O ATOM 0 H GLY A 9 11.738 2.953 -6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.134 3.608 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.502 3.371 -7.826 1.00 0.00 H new ATOM 137 N PRO A 10 7.956 1.457 -7.385 1.00 0.00 N ATOM 138 CA PRO A 10 7.248 0.266 -7.863 1.00 0.00 C ATOM 139 C PRO A 10 7.153 0.215 -9.387 1.00 0.00 C ATOM 140 O PRO A 10 7.488 1.186 -10.068 1.00 0.00 O ATOM 141 CB PRO A 10 5.852 0.408 -7.246 1.00 0.00 C ATOM 142 CG PRO A 10 5.684 1.872 -7.028 1.00 0.00 C ATOM 143 CD PRO A 10 7.052 2.400 -6.703 1.00 0.00 C ATOM 0 HA PRO A 10 7.764 -0.652 -7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.083 0.016 -7.911 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.775 -0.144 -6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.280 2.355 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.986 2.068 -6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.186 3.419 -7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.230 2.420 -5.628 1.00 0.00 H new ATOM 151 N PRO A 11 6.693 -0.883 -9.943 1.00 0.00 N ATOM 152 CA PRO A 11 6.556 -1.051 -11.393 1.00 0.00 C ATOM 153 C PRO A 11 5.431 -0.197 -11.971 1.00 0.00 C ATOM 154 O PRO A 11 4.451 -0.719 -12.504 1.00 0.00 O ATOM 155 CB PRO A 11 6.234 -2.541 -11.549 1.00 0.00 C ATOM 156 CG PRO A 11 5.607 -2.930 -10.256 1.00 0.00 C ATOM 157 CD PRO A 11 6.271 -2.086 -9.204 1.00 0.00 C ATOM 0 HA PRO A 11 7.453 -0.738 -11.927 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.557 -2.714 -12.385 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.135 -3.123 -11.743 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.531 -2.755 -10.275 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.753 -3.991 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.584 -1.839 -8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.121 -2.600 -8.755 1.00 0.00 H new ATOM 165 N ASN A 12 5.576 1.085 -11.860 1.00 0.00 N ATOM 166 CA ASN A 12 4.575 2.013 -12.371 1.00 0.00 C ATOM 167 C ASN A 12 3.234 1.800 -11.675 1.00 0.00 C ATOM 168 O ASN A 12 2.590 0.763 -11.843 1.00 0.00 O ATOM 169 CB ASN A 12 4.409 1.837 -13.882 1.00 0.00 C ATOM 170 CG ASN A 12 4.174 3.155 -14.593 1.00 0.00 C ATOM 171 OD1 ASN A 12 3.082 3.417 -15.096 1.00 0.00 O ATOM 172 ND2 ASN A 12 5.203 3.996 -14.642 1.00 0.00 N ATOM 0 H ASN A 12 6.380 1.532 -11.419 1.00 0.00 H new ATOM 0 HA ASN A 12 4.917 3.027 -12.165 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.300 1.361 -14.290 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.572 1.167 -14.078 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.103 4.897 -15.110 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.092 3.740 -14.212 1.00 0.00 H new ATOM 179 N GLY A 13 2.817 2.791 -10.893 1.00 0.00 N ATOM 180 CA GLY A 13 1.551 2.695 -10.184 1.00 0.00 C ATOM 181 C GLY A 13 1.558 3.466 -8.880 1.00 0.00 C ATOM 182 O GLY A 13 2.601 3.963 -8.451 1.00 0.00 O ATOM 0 H GLY A 13 3.331 3.658 -10.737 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.751 3.072 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.330 1.647 -9.982 1.00 0.00 H new ATOM 186 N CYS A 14 0.392 3.567 -8.248 1.00 0.00 N ATOM 187 CA CYS A 14 0.264 4.289 -6.987 1.00 0.00 C ATOM 188 C CYS A 14 1.198 3.706 -5.926 1.00 0.00 C ATOM 189 O CYS A 14 2.115 2.948 -6.240 1.00 0.00 O ATOM 190 CB CYS A 14 -1.157 4.254 -6.499 1.00 0.00 C ATOM 191 SG CYS A 14 -1.656 2.701 -5.678 1.00 0.00 S ATOM 0 H CYS A 14 -0.478 3.158 -8.589 1.00 0.00 H new ATOM 0 HA CYS A 14 0.549 5.326 -7.165 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.306 5.079 -5.803 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.820 4.428 -7.346 1.00 0.00 H new ATOM 196 N PHE A 15 0.953 4.063 -4.667 1.00 0.00 N ATOM 197 CA PHE A 15 1.771 3.576 -3.559 1.00 0.00 C ATOM 198 C PHE A 15 1.907 2.055 -3.601 1.00 0.00 C ATOM 199 O PHE A 15 1.162 1.375 -4.307 1.00 0.00 O ATOM 200 CB PHE A 15 1.163 4.010 -2.223 1.00 0.00 C ATOM 201 CG PHE A 15 -0.307 3.994 -2.201 1.00 0.00 C ATOM 202 CD1 PHE A 15 -1.005 2.860 -2.575 1.00 0.00 C ATOM 203 CD2 PHE A 15 -1.018 5.116 -1.805 1.00 0.00 C ATOM 204 CE1 PHE A 15 -2.387 2.843 -2.555 1.00 0.00 C ATOM 205 CE2 PHE A 15 -2.400 5.105 -1.781 1.00 0.00 C ATOM 206 CZ PHE A 15 -3.085 3.967 -2.158 1.00 0.00 C ATOM 0 H PHE A 15 0.196 4.687 -4.389 1.00 0.00 H new ATOM 0 HA PHE A 15 2.766 4.010 -3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.535 3.354 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.509 5.017 -1.988 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.464 1.978 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.486 6.009 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.921 1.952 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.943 5.985 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.165 3.956 -2.143 1.00 0.00 H new ATOM 216 N GLY A 16 2.865 1.532 -2.844 1.00 0.00 N ATOM 217 CA GLY A 16 3.083 0.127 -2.809 1.00 0.00 C ATOM 218 C GLY A 16 1.834 -0.645 -2.434 1.00 0.00 C ATOM 219 O GLY A 16 0.772 -0.061 -2.232 1.00 0.00 O ATOM 0 H GLY A 16 3.493 2.077 -2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.433 -0.207 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.873 -0.097 -2.093 1.00 0.00 H new ATOM 223 N HIS A 17 1.965 -1.964 -2.339 1.00 0.00 N ATOM 224 CA HIS A 17 0.842 -2.823 -1.990 1.00 0.00 C ATOM 225 C HIS A 17 0.371 -2.546 -0.567 1.00 0.00 C ATOM 226 O HIS A 17 0.972 -1.755 0.123 1.00 0.00 O ATOM 227 CB HIS A 17 1.241 -4.289 -2.131 1.00 0.00 C ATOM 228 CG HIS A 17 1.335 -4.752 -3.552 1.00 0.00 C ATOM 229 ND1 HIS A 17 1.839 -5.890 -4.081 1.00 0.00 N flip ATOM 230 CD2 HIS A 17 0.876 -4.005 -4.617 1.00 0.00 C flip ATOM 231 CE1 HIS A 17 1.679 -5.812 -5.442 1.00 0.00 C flip ATOM 232 NE2 HIS A 17 1.093 -4.666 -5.740 1.00 0.00 N flip ATOM 0 H HIS A 17 2.841 -2.461 -2.500 1.00 0.00 H new ATOM 0 HA HIS A 17 0.020 -2.608 -2.673 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.204 -4.443 -1.643 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.514 -4.907 -1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.412 -3.032 -4.544 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.983 -6.565 -6.154 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.850 -4.346 -6.677 1.00 0.00 H new ATOM 241 N LYS A 18 -0.676 -3.211 -0.174 1.00 0.00 N ATOM 242 CA LYS A 18 -1.236 -3.041 1.127 1.00 0.00 C ATOM 243 C LYS A 18 -0.635 -4.051 2.104 1.00 0.00 C ATOM 244 O LYS A 18 -1.357 -4.727 2.837 1.00 0.00 O ATOM 245 CB LYS A 18 -2.757 -3.196 1.084 1.00 0.00 C ATOM 246 CG LYS A 18 -3.220 -4.582 0.668 1.00 0.00 C ATOM 247 CD LYS A 18 -4.498 -4.983 1.384 1.00 0.00 C ATOM 248 CE LYS A 18 -4.488 -6.457 1.761 1.00 0.00 C ATOM 249 NZ LYS A 18 -5.819 -6.917 2.242 1.00 0.00 N ATOM 0 H LYS A 18 -1.166 -3.891 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.998 -2.034 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.164 -2.967 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.168 -2.462 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.384 -4.603 -0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.437 -5.308 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.618 -4.378 2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.355 -4.776 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.190 -7.050 0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.743 -6.628 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.808 -7.950 2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.033 -6.467 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.548 -6.655 1.548 1.00 0.00 H new ATOM 263 N ILE A 19 0.656 -4.144 2.108 1.00 0.00 N ATOM 264 CA ILE A 19 1.353 -5.071 2.992 1.00 0.00 C ATOM 265 C ILE A 19 1.469 -4.499 4.403 1.00 0.00 C ATOM 266 O ILE A 19 1.448 -5.238 5.386 1.00 0.00 O ATOM 267 CB ILE A 19 2.766 -5.399 2.471 1.00 0.00 C ATOM 268 CG1 ILE A 19 2.728 -5.663 0.964 1.00 0.00 C ATOM 269 CG2 ILE A 19 3.338 -6.598 3.213 1.00 0.00 C ATOM 270 CD1 ILE A 19 4.073 -6.043 0.381 1.00 0.00 C ATOM 0 H ILE A 19 1.269 -3.591 1.509 1.00 0.00 H new ATOM 0 HA ILE A 19 0.762 -5.987 3.015 1.00 0.00 H new ATOM 0 HB ILE A 19 3.414 -4.542 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.015 -6.462 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.360 -4.771 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.336 -6.818 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.395 -6.373 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.693 -7.463 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.970 -6.215 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.785 -5.235 0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.434 -6.952 0.861 1.00 0.00 H new ATOM 282 N ASP A 20 1.587 -3.177 4.490 1.00 0.00 N ATOM 283 CA ASP A 20 1.703 -2.505 5.780 1.00 0.00 C ATOM 284 C ASP A 20 0.331 -2.315 6.419 1.00 0.00 C ATOM 285 O ASP A 20 -0.604 -1.968 5.745 1.00 0.00 O ATOM 286 CB ASP A 20 2.392 -1.151 5.610 1.00 0.00 C ATOM 287 CG ASP A 20 3.301 -0.815 6.778 1.00 0.00 C ATOM 288 OD1 ASP A 20 2.804 -0.255 7.775 1.00 0.00 O ATOM 289 OD2 ASP A 20 4.513 -1.113 6.692 1.00 0.00 O ATOM 0 H ASP A 20 1.605 -2.551 3.685 1.00 0.00 H new ATOM 0 HA ASP A 20 2.305 -3.132 6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.975 -1.156 4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.637 -0.372 5.505 1.00 0.00 H new ATOM 294 N ARG A 21 0.259 -2.543 7.726 1.00 0.00 N ATOM 295 CA ARG A 21 -0.959 -2.395 8.461 1.00 0.00 C ATOM 296 C ARG A 21 -1.136 -0.962 8.951 1.00 0.00 C ATOM 297 O ARG A 21 -0.169 -0.298 9.323 1.00 0.00 O ATOM 298 CB ARG A 21 -0.995 -3.364 9.646 1.00 0.00 C ATOM 299 CG ARG A 21 -1.810 -4.618 9.380 1.00 0.00 C ATOM 300 CD ARG A 21 -1.053 -5.603 8.510 1.00 0.00 C ATOM 301 NE ARG A 21 -0.382 -6.631 9.302 1.00 0.00 N ATOM 302 CZ ARG A 21 0.579 -7.389 8.846 1.00 0.00 C ATOM 303 NH1 ARG A 21 1.020 -7.239 7.604 1.00 0.00 N ATOM 304 NH2 ARG A 21 1.132 -8.298 9.633 1.00 0.00 N ATOM 0 H ARG A 21 1.055 -2.836 8.293 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.783 -2.631 7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.025 -3.651 9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.408 -2.849 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.068 -5.092 10.327 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.747 -4.347 8.893 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.744 -6.076 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.315 -5.067 7.913 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.682 -6.765 10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.608 -6.528 6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.771 -7.834 7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.808 -8.406 10.594 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.883 -8.891 9.279 1.00 0.00 H new ATOM 318 N ILE A 22 -2.380 -0.488 8.949 1.00 0.00 N ATOM 319 CA ILE A 22 -2.688 0.835 9.394 1.00 0.00 C ATOM 320 C ILE A 22 -1.854 1.863 8.635 1.00 0.00 C ATOM 321 O ILE A 22 -0.968 1.504 7.858 1.00 0.00 O ATOM 322 CB ILE A 22 -2.453 1.013 10.911 1.00 0.00 C ATOM 323 CG1 ILE A 22 -2.643 -0.280 11.654 1.00 0.00 C ATOM 324 CG2 ILE A 22 -3.391 2.073 11.471 1.00 0.00 C ATOM 325 CD1 ILE A 22 -2.412 -0.176 13.147 1.00 0.00 C ATOM 0 H ILE A 22 -3.190 -1.023 8.636 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.748 0.993 9.194 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.421 1.335 11.049 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.656 -0.642 11.478 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.963 -1.026 11.243 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.214 2.187 12.540 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.207 3.023 10.969 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.424 1.769 11.305 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.569 -1.151 13.608 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.390 0.154 13.335 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.110 0.544 13.574 1.00 0.00 H new ATOM 337 N GLY A 23 -2.138 3.139 8.865 1.00 0.00 N ATOM 338 CA GLY A 23 -1.400 4.194 8.194 1.00 0.00 C ATOM 339 C GLY A 23 -2.222 5.458 8.026 1.00 0.00 C ATOM 340 O GLY A 23 -2.928 5.622 7.031 1.00 0.00 O ATOM 0 H GLY A 23 -2.865 3.463 9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.499 4.423 8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.077 3.841 7.215 1.00 0.00 H new ATOM 344 N SER A 24 -2.130 6.355 9.004 1.00 0.00 N ATOM 345 CA SER A 24 -2.871 7.611 8.960 1.00 0.00 C ATOM 346 C SER A 24 -2.477 8.432 7.737 1.00 0.00 C ATOM 347 O SER A 24 -3.281 8.627 6.826 1.00 0.00 O ATOM 348 CB SER A 24 -2.618 8.420 10.235 1.00 0.00 C ATOM 349 OG SER A 24 -2.299 7.573 11.324 1.00 0.00 O ATOM 0 H SER A 24 -1.551 6.235 9.835 1.00 0.00 H new ATOM 0 HA SER A 24 -3.933 7.376 8.891 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.802 9.123 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.502 9.010 10.476 1.00 0.00 H new ATOM 0 HG SER A 24 -2.141 8.115 12.125 1.00 0.00 H new ATOM 355 N HIS A 25 -1.237 8.910 7.724 1.00 0.00 N ATOM 356 CA HIS A 25 -0.738 9.708 6.610 1.00 0.00 C ATOM 357 C HIS A 25 -0.688 8.885 5.328 1.00 0.00 C ATOM 358 O HIS A 25 -1.444 9.133 4.387 1.00 0.00 O ATOM 359 CB HIS A 25 0.615 10.260 6.931 1.00 0.00 C ATOM 360 CG HIS A 25 0.850 11.641 6.404 1.00 0.00 C ATOM 361 ND1 HIS A 25 2.072 12.277 6.477 1.00 0.00 N ATOM 362 CD2 HIS A 25 0.011 12.509 5.789 1.00 0.00 C ATOM 363 CE1 HIS A 25 1.972 13.479 5.936 1.00 0.00 C ATOM 364 NE2 HIS A 25 0.735 13.641 5.510 1.00 0.00 N ATOM 0 H HIS A 25 -0.560 8.759 8.472 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.426 10.538 6.451 1.00 0.00 H new ATOM 0 HB2 HIS A 25 0.745 10.268 8.013 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.374 9.593 6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.031 12.342 5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.768 14.205 5.857 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.374 14.475 5.047 1.00 0.00 H new ATOM 373 N SER A 26 0.173 7.901 5.297 1.00 0.00 N ATOM 374 CA SER A 26 0.323 7.041 4.131 1.00 0.00 C ATOM 375 C SER A 26 -0.811 6.066 4.021 1.00 0.00 C ATOM 376 O SER A 26 -1.642 5.971 4.925 1.00 0.00 O ATOM 377 CB SER A 26 1.641 6.270 4.205 1.00 0.00 C ATOM 378 OG SER A 26 1.588 5.265 5.202 1.00 0.00 O ATOM 0 H SER A 26 0.793 7.666 6.072 1.00 0.00 H new ATOM 0 HA SER A 26 0.320 7.682 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.855 5.816 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.457 6.959 4.422 1.00 0.00 H new ATOM 0 HG SER A 26 1.572 4.382 4.776 1.00 0.00 H new ATOM 384 N GLY A 27 -0.868 5.342 2.908 1.00 0.00 N ATOM 385 CA GLY A 27 -1.938 4.382 2.703 1.00 0.00 C ATOM 386 C GLY A 27 -1.694 3.495 1.497 1.00 0.00 C ATOM 387 O GLY A 27 -2.384 3.611 0.485 1.00 0.00 O ATOM 0 H GLY A 27 -0.194 5.402 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.041 3.761 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.881 4.914 2.575 1.00 0.00 H new ATOM 391 N LEU A 28 -0.710 2.611 1.605 1.00 0.00 N ATOM 392 CA LEU A 28 -0.377 1.699 0.516 1.00 0.00 C ATOM 393 C LEU A 28 -1.565 0.807 0.170 1.00 0.00 C ATOM 394 O LEU A 28 -2.556 0.763 0.900 1.00 0.00 O ATOM 395 CB LEU A 28 0.797 0.837 0.887 1.00 0.00 C ATOM 396 CG LEU A 28 1.913 1.565 1.642 1.00 0.00 C ATOM 397 CD1 LEU A 28 3.132 0.668 1.786 1.00 0.00 C ATOM 398 CD2 LEU A 28 2.285 2.859 0.929 1.00 0.00 C ATOM 0 H LEU A 28 -0.128 2.506 2.436 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.121 2.304 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.443 0.009 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.214 0.404 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 28 1.548 1.814 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.915 1.202 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.859 -0.231 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.497 0.389 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.079 3.363 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.630 2.632 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.412 3.509 0.876 1.00 0.00 H new ATOM 410 N GLY A 29 -1.459 0.107 -0.914 1.00 0.00 N ATOM 411 CA GLY A 29 -2.529 -0.754 -1.338 1.00 0.00 C ATOM 412 C GLY A 29 -2.951 -0.506 -2.775 1.00 0.00 C ATOM 413 O GLY A 29 -4.109 -0.177 -3.042 1.00 0.00 O ATOM 0 H GLY A 29 -0.643 0.111 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.217 -1.793 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.387 -0.609 -0.682 1.00 0.00 H new ATOM 417 N CYS A 30 -2.011 -0.660 -3.701 1.00 0.00 N ATOM 418 CA CYS A 30 -2.291 -0.451 -5.117 1.00 0.00 C ATOM 419 C CYS A 30 -3.040 -1.645 -5.705 1.00 0.00 C ATOM 420 O CYS A 30 -3.846 -1.493 -6.623 1.00 0.00 O ATOM 421 CB CYS A 30 -0.988 -0.219 -5.888 1.00 0.00 C ATOM 422 SG CYS A 30 -0.998 1.243 -6.929 1.00 0.00 S ATOM 0 H CYS A 30 -1.049 -0.929 -3.497 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.922 0.433 -5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.167 -0.138 -5.175 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.786 -1.092 -6.509 1.00 0.00 H new ATOM 427 N ASN A 31 -2.767 -2.831 -5.172 1.00 0.00 N ATOM 428 CA ASN A 31 -3.416 -4.049 -5.642 1.00 0.00 C ATOM 429 C ASN A 31 -4.603 -4.412 -4.757 1.00 0.00 C ATOM 430 O ASN A 31 -4.624 -4.097 -3.568 1.00 0.00 O ATOM 431 CB ASN A 31 -2.415 -5.204 -5.670 1.00 0.00 C ATOM 432 CG ASN A 31 -1.703 -5.321 -7.002 1.00 0.00 C ATOM 433 OD1 ASN A 31 -1.318 -4.184 -7.567 1.00 0.00 O flip ATOM 434 ND2 ASN A 31 -1.500 -6.421 -7.516 1.00 0.00 N flip ATOM 0 H ASN A 31 -2.100 -2.975 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.783 -3.868 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.679 -5.062 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.936 -6.137 -5.457 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.814 -7.270 -7.045 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.018 -6.484 -8.413 1.00 0.00 H new ATOM 441 N LYS A 32 -5.592 -5.076 -5.348 1.00 0.00 N ATOM 442 CA LYS A 32 -6.785 -5.481 -4.612 1.00 0.00 C ATOM 443 C LYS A 32 -6.641 -6.903 -4.079 1.00 0.00 C ATOM 444 O LYS A 32 -5.798 -7.669 -4.548 1.00 0.00 O ATOM 445 CB LYS A 32 -8.022 -5.381 -5.507 1.00 0.00 C ATOM 446 CG LYS A 32 -8.700 -4.021 -5.458 1.00 0.00 C ATOM 447 CD LYS A 32 -9.294 -3.649 -6.806 1.00 0.00 C ATOM 448 CE LYS A 32 -10.462 -4.552 -7.170 1.00 0.00 C ATOM 449 NZ LYS A 32 -10.041 -5.676 -8.046 1.00 0.00 N ATOM 0 H LYS A 32 -5.591 -5.344 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.904 -4.806 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.734 -5.597 -6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.739 -6.146 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.486 -4.032 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.977 -3.263 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.628 -2.612 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.525 -3.719 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.911 -4.950 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.230 -3.966 -7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.878 -6.093 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.389 -5.322 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.561 -6.400 -7.475 1.00 0.00 H new ATOM 463 N VAL A 33 -7.472 -7.251 -3.102 1.00 0.00 N ATOM 464 CA VAL A 33 -7.438 -8.578 -2.507 1.00 0.00 C ATOM 465 C VAL A 33 -8.659 -9.390 -2.916 1.00 0.00 C ATOM 466 O VAL A 33 -9.493 -8.927 -3.691 1.00 0.00 O ATOM 467 CB VAL A 33 -7.377 -8.502 -0.970 1.00 0.00 C ATOM 468 CG1 VAL A 33 -6.069 -7.871 -0.519 1.00 0.00 C ATOM 469 CG2 VAL A 33 -8.568 -7.728 -0.423 1.00 0.00 C ATOM 0 H VAL A 33 -8.178 -6.630 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.537 -9.069 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.421 -9.516 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.043 -7.825 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.233 -8.472 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.992 -6.863 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.506 -7.686 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.560 -6.715 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.492 -8.228 -0.715 1.00 0.00 H new ATOM 479 N ASP A 34 -8.756 -10.606 -2.391 1.00 0.00 N ATOM 480 CA ASP A 34 -9.878 -11.485 -2.700 1.00 0.00 C ATOM 481 C ASP A 34 -11.046 -11.222 -1.759 1.00 0.00 C ATOM 482 O ASP A 34 -11.555 -12.137 -1.110 1.00 0.00 O ATOM 483 CB ASP A 34 -9.442 -12.950 -2.608 1.00 0.00 C ATOM 484 CG ASP A 34 -10.292 -13.857 -3.477 1.00 0.00 C ATOM 485 OD1 ASP A 34 -10.615 -13.458 -4.615 1.00 0.00 O ATOM 486 OD2 ASP A 34 -10.632 -14.968 -3.019 1.00 0.00 O ATOM 0 H ASP A 34 -8.071 -11.006 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.206 -11.278 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.398 -13.036 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.503 -13.281 -1.571 1.00 0.00 H new ATOM 491 N ASP A 35 -11.467 -9.964 -1.688 1.00 0.00 N ATOM 492 CA ASP A 35 -12.581 -9.575 -0.828 1.00 0.00 C ATOM 493 C ASP A 35 -13.302 -8.355 -1.390 1.00 0.00 C ATOM 494 O ASP A 35 -12.977 -7.877 -2.477 1.00 0.00 O ATOM 495 CB ASP A 35 -12.077 -9.278 0.552 1.00 0.00 C ATOM 496 CG ASP A 35 -13.054 -9.729 1.618 1.00 0.00 C ATOM 497 OD1 ASP A 35 -13.178 -10.953 1.832 1.00 0.00 O ATOM 498 OD2 ASP A 35 -13.693 -8.857 2.245 1.00 0.00 O ATOM 0 H ASP A 35 -11.054 -9.195 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.289 -10.403 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.119 -9.775 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.900 -8.207 0.651 1.00 0.00 H new ATOM 503 N ASN A 36 -14.285 -7.858 -0.642 1.00 0.00 N ATOM 504 CA ASN A 36 -15.058 -6.695 -1.061 1.00 0.00 C ATOM 505 C ASN A 36 -14.146 -5.544 -1.470 1.00 0.00 C ATOM 506 O ASN A 36 -13.062 -5.370 -0.914 1.00 0.00 O ATOM 507 CB ASN A 36 -15.989 -6.245 0.063 1.00 0.00 C ATOM 508 CG ASN A 36 -16.919 -5.127 -0.365 1.00 0.00 C ATOM 509 OD1 ASN A 36 -16.582 -3.948 -0.260 1.00 0.00 O ATOM 510 ND2 ASN A 36 -18.099 -5.495 -0.852 1.00 0.00 N ATOM 0 H ASN A 36 -14.564 -8.245 0.259 1.00 0.00 H new ATOM 0 HA ASN A 36 -15.653 -6.984 -1.927 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -16.581 -7.095 0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.393 -5.912 0.913 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -18.768 -4.788 -1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -18.336 -6.485 -0.921 1.00 0.00 H new ATOM 517 N LYS A 37 -14.590 -4.760 -2.448 1.00 0.00 N ATOM 518 CA LYS A 37 -13.812 -3.626 -2.931 1.00 0.00 C ATOM 519 C LYS A 37 -14.728 -2.535 -3.485 1.00 0.00 C ATOM 520 O LYS A 37 -15.951 -2.636 -3.397 1.00 0.00 O ATOM 521 CB LYS A 37 -12.829 -4.077 -4.011 1.00 0.00 C ATOM 522 CG LYS A 37 -13.501 -4.644 -5.250 1.00 0.00 C ATOM 523 CD LYS A 37 -13.831 -6.117 -5.080 1.00 0.00 C ATOM 524 CE LYS A 37 -12.784 -7.001 -5.738 1.00 0.00 C ATOM 525 NZ LYS A 37 -12.991 -7.106 -7.210 1.00 0.00 N ATOM 0 H LYS A 37 -15.484 -4.890 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.253 -3.216 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.208 -3.230 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.163 -4.832 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.415 -4.087 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.847 -4.514 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.896 -6.356 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.809 -6.324 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.791 -6.598 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.818 -7.996 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.257 -7.717 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.928 -7.515 -7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.933 -6.160 -7.637 1.00 0.00 H new ATOM 539 N GLY A 38 -14.122 -1.496 -4.048 1.00 0.00 N ATOM 540 CA GLY A 38 -14.899 -0.405 -4.608 1.00 0.00 C ATOM 541 C GLY A 38 -14.341 0.054 -5.927 1.00 0.00 C ATOM 542 O GLY A 38 -13.874 -0.752 -6.723 1.00 0.00 O ATOM 543 OXT GLY A 38 -14.370 1.281 -6.165 1.00 0.00 O ATOM 0 H GLY A 38 -13.111 -1.389 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.932 -0.725 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.912 0.430 -3.908 1.00 0.00 H new TER 547 GLY A 38