USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 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 HE2:sc= -1.22 K(o=-2.6,f=-8.2!) USER MOD Set 1.2: A 31 ASN : amide:sc= -1.36 K(o=-2.6,f=-6.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.55 K(o=-1.5,f=-5.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= -0.999 (180deg=-2.63!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.313) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0745 USER MOD Single : A 25 HIS : no HD1:sc=-0.00666 X(o=-0.0067,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.665 K(o=-0.66,f=-3.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.442 13.626 -14.538 1.00 0.00 N ATOM 2 CA GLY A 1 -5.217 12.913 -14.996 1.00 0.00 C ATOM 3 C GLY A 1 -4.344 12.463 -13.840 1.00 0.00 C ATOM 4 O GLY A 1 -4.707 11.549 -13.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.006 13.913 -15.364 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.007 12.994 -13.936 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.170 14.470 -13.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.505 12.045 -15.589 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.641 13.569 -15.649 1.00 0.00 H new ATOM 10 N ASP A 2 -3.194 13.109 -13.683 1.00 0.00 N ATOM 11 CA ASP A 2 -2.264 12.772 -12.613 1.00 0.00 C ATOM 12 C ASP A 2 -1.785 14.028 -11.892 1.00 0.00 C ATOM 13 O ASP A 2 -0.825 14.667 -12.316 1.00 0.00 O ATOM 14 CB ASP A 2 -1.069 11.997 -13.170 1.00 0.00 C ATOM 15 CG ASP A 2 -0.571 10.945 -12.202 1.00 0.00 C ATOM 16 OD1 ASP A 2 -1.403 10.251 -11.589 1.00 0.00 O ATOM 17 OD2 ASP A 2 0.646 10.811 -12.063 1.00 0.00 O ATOM 0 H ASP A 2 -2.883 13.871 -14.285 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.789 12.143 -11.894 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.352 11.520 -14.108 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.261 12.692 -13.397 1.00 0.00 H new ATOM 22 N ASN A 3 -2.462 14.375 -10.803 1.00 0.00 N ATOM 23 CA ASN A 3 -2.100 15.556 -10.025 1.00 0.00 C ATOM 24 C ASN A 3 -1.087 15.208 -8.943 1.00 0.00 C ATOM 25 O ASN A 3 -0.202 16.000 -8.634 1.00 0.00 O ATOM 26 CB ASN A 3 -3.350 16.176 -9.395 1.00 0.00 C ATOM 27 CG ASN A 3 -4.135 15.175 -8.563 1.00 0.00 C ATOM 28 OD1 ASN A 3 -3.630 14.635 -7.579 1.00 0.00 O ATOM 29 ND2 ASN A 3 -5.376 14.926 -8.958 1.00 0.00 N ATOM 0 H ASN A 3 -3.262 13.858 -10.439 1.00 0.00 H new ATOM 0 HA ASN A 3 -1.643 16.280 -10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.058 17.017 -8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.991 16.573 -10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.953 14.263 -8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.754 15.397 -9.780 1.00 0.00 H new ATOM 36 N LYS A 4 -1.233 14.017 -8.368 1.00 0.00 N ATOM 37 CA LYS A 4 -0.332 13.561 -7.318 1.00 0.00 C ATOM 38 C LYS A 4 0.604 12.492 -7.848 1.00 0.00 C ATOM 39 O LYS A 4 0.330 11.298 -7.736 1.00 0.00 O ATOM 40 CB LYS A 4 -1.125 13.011 -6.134 1.00 0.00 C ATOM 41 CG LYS A 4 -0.302 12.874 -4.861 1.00 0.00 C ATOM 42 CD LYS A 4 -0.013 14.230 -4.237 1.00 0.00 C ATOM 43 CE LYS A 4 1.344 14.265 -3.618 1.00 0.00 C ATOM 44 NZ LYS A 4 1.312 13.959 -2.165 1.00 0.00 N ATOM 0 H LYS A 4 -1.967 13.352 -8.613 1.00 0.00 H new ATOM 0 HA LYS A 4 0.258 14.414 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.973 13.667 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.531 12.035 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.837 12.250 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.637 12.368 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.088 15.006 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.766 14.452 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.990 13.547 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.784 15.251 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.278 13.996 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.718 14.659 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.917 13.008 -2.019 1.00 0.00 H new ATOM 58 N PRO A 5 1.727 12.914 -8.430 1.00 0.00 N ATOM 59 CA PRO A 5 2.721 11.985 -8.977 1.00 0.00 C ATOM 60 C PRO A 5 3.467 11.219 -7.882 1.00 0.00 C ATOM 61 O PRO A 5 4.264 11.802 -7.146 1.00 0.00 O ATOM 62 CB PRO A 5 3.688 12.905 -9.733 1.00 0.00 C ATOM 63 CG PRO A 5 3.560 14.226 -9.053 1.00 0.00 C ATOM 64 CD PRO A 5 2.130 14.324 -8.603 1.00 0.00 C ATOM 0 HA PRO A 5 2.261 11.218 -9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.711 12.531 -9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.425 12.975 -10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.241 14.296 -8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.812 15.040 -9.732 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.039 14.885 -7.673 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.510 14.831 -9.342 1.00 0.00 H new ATOM 72 N PRO A 6 3.217 9.907 -7.758 1.00 0.00 N ATOM 73 CA PRO A 6 3.871 9.075 -6.743 1.00 0.00 C ATOM 74 C PRO A 6 5.355 8.873 -7.028 1.00 0.00 C ATOM 75 O PRO A 6 5.833 9.186 -8.118 1.00 0.00 O ATOM 76 CB PRO A 6 3.122 7.740 -6.838 1.00 0.00 C ATOM 77 CG PRO A 6 2.593 7.699 -8.231 1.00 0.00 C ATOM 78 CD PRO A 6 2.280 9.127 -8.591 1.00 0.00 C ATOM 0 HA PRO A 6 3.830 9.532 -5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.787 6.899 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.316 7.686 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.327 7.275 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.701 7.075 -8.293 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.435 9.316 -9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.243 9.378 -8.370 1.00 0.00 H new ATOM 86 N LYS A 7 6.076 8.347 -6.041 1.00 0.00 N ATOM 87 CA LYS A 7 7.506 8.104 -6.188 1.00 0.00 C ATOM 88 C LYS A 7 7.777 7.127 -7.327 1.00 0.00 C ATOM 89 O LYS A 7 6.879 6.422 -7.783 1.00 0.00 O ATOM 90 CB LYS A 7 8.091 7.562 -4.884 1.00 0.00 C ATOM 91 CG LYS A 7 7.788 8.425 -3.674 1.00 0.00 C ATOM 92 CD LYS A 7 7.693 7.600 -2.403 1.00 0.00 C ATOM 93 CE LYS A 7 8.997 6.882 -2.108 1.00 0.00 C ATOM 94 NZ LYS A 7 9.128 5.618 -2.883 1.00 0.00 N ATOM 0 H LYS A 7 5.693 8.082 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 7 7.987 9.053 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.701 6.559 -4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.172 7.470 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.567 9.179 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.850 8.957 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.436 8.248 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.889 6.871 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.834 7.540 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.056 6.661 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.595 4.898 -2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.184 5.281 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.697 5.791 -3.736 1.00 0.00 H new ATOM 108 N LYS A 8 9.025 7.092 -7.783 1.00 0.00 N ATOM 109 CA LYS A 8 9.419 6.198 -8.867 1.00 0.00 C ATOM 110 C LYS A 8 9.571 4.769 -8.370 1.00 0.00 C ATOM 111 O LYS A 8 9.551 4.515 -7.168 1.00 0.00 O ATOM 112 CB LYS A 8 10.727 6.671 -9.505 1.00 0.00 C ATOM 113 CG LYS A 8 10.889 8.183 -9.536 1.00 0.00 C ATOM 114 CD LYS A 8 11.752 8.628 -10.705 1.00 0.00 C ATOM 115 CE LYS A 8 11.297 9.967 -11.257 1.00 0.00 C ATOM 116 NZ LYS A 8 10.246 9.813 -12.298 1.00 0.00 N ATOM 0 H LYS A 8 9.781 7.672 -7.419 1.00 0.00 H new ATOM 0 HA LYS A 8 8.630 6.219 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.564 6.237 -8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.781 6.289 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.908 8.653 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.338 8.521 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.791 8.700 -10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.713 7.876 -11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.914 10.583 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.152 10.494 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.964 10.751 -12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.619 9.247 -13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.419 9.333 -11.888 1.00 0.00 H new ATOM 130 N GLY A 9 9.727 3.834 -9.302 1.00 0.00 N ATOM 131 CA GLY A 9 9.883 2.439 -8.936 1.00 0.00 C ATOM 132 C GLY A 9 9.061 1.512 -9.818 1.00 0.00 C ATOM 133 O GLY A 9 9.539 1.059 -10.860 1.00 0.00 O ATOM 0 H GLY A 9 9.748 4.018 -10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.935 2.164 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.586 2.304 -7.896 1.00 0.00 H new ATOM 137 N PRO A 10 7.811 1.214 -9.421 1.00 0.00 N ATOM 138 CA PRO A 10 6.931 0.333 -10.192 1.00 0.00 C ATOM 139 C PRO A 10 6.468 0.974 -11.498 1.00 0.00 C ATOM 140 O PRO A 10 6.471 2.196 -11.633 1.00 0.00 O ATOM 141 CB PRO A 10 5.741 0.115 -9.258 1.00 0.00 C ATOM 142 CG PRO A 10 5.726 1.309 -8.374 1.00 0.00 C ATOM 143 CD PRO A 10 7.161 1.710 -8.195 1.00 0.00 C ATOM 0 HA PRO A 10 7.435 -0.587 -10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.810 0.026 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.855 -0.803 -8.681 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.148 2.118 -8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.263 1.078 -7.415 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.266 2.790 -8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.595 1.262 -7.301 1.00 0.00 H new ATOM 151 N PRO A 11 6.059 0.157 -12.482 1.00 0.00 N ATOM 152 CA PRO A 11 5.589 0.645 -13.780 1.00 0.00 C ATOM 153 C PRO A 11 4.243 1.350 -13.680 1.00 0.00 C ATOM 154 O PRO A 11 3.195 0.743 -13.908 1.00 0.00 O ATOM 155 CB PRO A 11 5.468 -0.606 -14.621 1.00 0.00 C ATOM 156 CG PRO A 11 5.250 -1.684 -13.632 1.00 0.00 C ATOM 157 CD PRO A 11 6.026 -1.286 -12.402 1.00 0.00 C ATOM 0 HA PRO A 11 6.271 1.385 -14.200 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.638 -0.535 -15.324 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.369 -0.780 -15.209 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.190 -1.796 -13.405 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.596 -2.643 -14.018 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.537 -1.627 -11.490 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.029 -1.712 -12.404 1.00 0.00 H new ATOM 165 N ASN A 12 4.275 2.633 -13.335 1.00 0.00 N ATOM 166 CA ASN A 12 3.055 3.416 -13.205 1.00 0.00 C ATOM 167 C ASN A 12 2.138 2.828 -12.134 1.00 0.00 C ATOM 168 O ASN A 12 0.915 2.927 -12.229 1.00 0.00 O ATOM 169 CB ASN A 12 2.317 3.484 -14.544 1.00 0.00 C ATOM 170 CG ASN A 12 1.624 4.816 -14.756 1.00 0.00 C ATOM 171 OD1 ASN A 12 1.502 5.619 -13.834 1.00 0.00 O ATOM 172 ND2 ASN A 12 1.158 5.047 -15.981 1.00 0.00 N ATOM 0 H ASN A 12 5.132 3.151 -13.141 1.00 0.00 H new ATOM 0 HA ASN A 12 3.336 4.425 -12.903 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.025 3.313 -15.355 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.580 2.683 -14.590 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.675 5.922 -16.186 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.284 4.349 -16.714 1.00 0.00 H new ATOM 179 N GLY A 13 2.740 2.218 -11.120 1.00 0.00 N ATOM 180 CA GLY A 13 1.966 1.623 -10.048 1.00 0.00 C ATOM 181 C GLY A 13 1.721 2.586 -8.903 1.00 0.00 C ATOM 182 O GLY A 13 2.411 3.597 -8.777 1.00 0.00 O ATOM 0 H GLY A 13 3.751 2.125 -11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.009 1.282 -10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.488 0.743 -9.673 1.00 0.00 H new ATOM 186 N CYS A 14 0.739 2.271 -8.064 1.00 0.00 N ATOM 187 CA CYS A 14 0.405 3.114 -6.924 1.00 0.00 C ATOM 188 C CYS A 14 1.403 2.907 -5.789 1.00 0.00 C ATOM 189 O CYS A 14 2.432 2.254 -5.964 1.00 0.00 O ATOM 190 CB CYS A 14 -0.975 2.813 -6.429 1.00 0.00 C ATOM 191 SG CYS A 14 -2.180 2.452 -7.751 1.00 0.00 S ATOM 0 H CYS A 14 0.160 1.436 -8.154 1.00 0.00 H new ATOM 0 HA CYS A 14 0.449 4.152 -7.255 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.928 1.960 -5.752 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.334 3.662 -5.847 1.00 0.00 H new ATOM 196 N PHE A 15 1.088 3.471 -4.627 1.00 0.00 N ATOM 197 CA PHE A 15 1.953 3.342 -3.452 1.00 0.00 C ATOM 198 C PHE A 15 2.275 1.878 -3.168 1.00 0.00 C ATOM 199 O PHE A 15 1.842 0.983 -3.893 1.00 0.00 O ATOM 200 CB PHE A 15 1.301 3.985 -2.221 1.00 0.00 C ATOM 201 CG PHE A 15 -0.170 3.999 -2.255 1.00 0.00 C ATOM 202 CD1 PHE A 15 -0.880 2.871 -2.636 1.00 0.00 C ATOM 203 CD2 PHE A 15 -0.872 5.143 -1.907 1.00 0.00 C ATOM 204 CE1 PHE A 15 -2.263 2.886 -2.674 1.00 0.00 C ATOM 205 CE2 PHE A 15 -2.253 5.164 -1.940 1.00 0.00 C ATOM 206 CZ PHE A 15 -2.953 4.031 -2.323 1.00 0.00 C ATOM 0 H PHE A 15 0.243 4.021 -4.471 1.00 0.00 H new ATOM 0 HA PHE A 15 2.884 3.866 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.627 3.449 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.661 5.010 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.348 1.971 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.332 6.029 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.804 2.002 -2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.787 6.063 -1.668 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.033 4.043 -2.347 1.00 0.00 H new ATOM 216 N GLY A 16 3.041 1.645 -2.106 1.00 0.00 N ATOM 217 CA GLY A 16 3.414 0.286 -1.739 1.00 0.00 C ATOM 218 C GLY A 16 2.225 -0.615 -1.662 1.00 0.00 C ATOM 219 O GLY A 16 1.074 -0.184 -1.707 1.00 0.00 O ATOM 0 H GLY A 16 3.411 2.371 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.121 -0.107 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.925 0.297 -0.776 1.00 0.00 H new ATOM 223 N HIS A 17 2.495 -1.912 -1.555 1.00 0.00 N ATOM 224 CA HIS A 17 1.442 -2.915 -1.477 1.00 0.00 C ATOM 225 C HIS A 17 0.634 -2.752 -0.201 1.00 0.00 C ATOM 226 O HIS A 17 0.945 -1.913 0.611 1.00 0.00 O ATOM 227 CB HIS A 17 2.048 -4.314 -1.537 1.00 0.00 C ATOM 228 CG HIS A 17 2.474 -4.724 -2.913 1.00 0.00 C ATOM 229 ND1 HIS A 17 1.700 -4.522 -4.038 1.00 0.00 N ATOM 230 CD2 HIS A 17 3.611 -5.326 -3.347 1.00 0.00 C ATOM 231 CE1 HIS A 17 2.340 -4.980 -5.101 1.00 0.00 C ATOM 232 NE2 HIS A 17 3.497 -5.471 -4.705 1.00 0.00 N ATOM 0 H HIS A 17 3.440 -2.293 -1.520 1.00 0.00 H new ATOM 0 HA HIS A 17 0.773 -2.778 -2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.910 -4.356 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.320 -5.033 -1.162 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.777 -4.087 -4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.448 -5.633 -2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.977 -4.956 -6.118 1.00 0.00 H new ATOM 241 N LYS A 18 -0.372 -3.571 -0.079 1.00 0.00 N ATOM 242 CA LYS A 18 -1.230 -3.521 1.080 1.00 0.00 C ATOM 243 C LYS A 18 -0.719 -4.457 2.171 1.00 0.00 C ATOM 244 O LYS A 18 -1.480 -5.249 2.733 1.00 0.00 O ATOM 245 CB LYS A 18 -2.666 -3.891 0.703 1.00 0.00 C ATOM 246 CG LYS A 18 -2.814 -5.320 0.209 1.00 0.00 C ATOM 247 CD LYS A 18 -4.147 -5.922 0.613 1.00 0.00 C ATOM 248 CE LYS A 18 -5.309 -5.215 -0.026 1.00 0.00 C ATOM 249 NZ LYS A 18 -5.915 -4.176 0.820 1.00 0.00 N ATOM 0 H LYS A 18 -0.622 -4.283 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.220 -2.501 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.310 -3.746 1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.017 -3.209 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.720 -5.341 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.004 -5.929 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.167 -6.975 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.249 -5.878 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.976 -4.761 -0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.072 -5.950 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.931 -4.105 0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.787 -4.425 1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.457 -3.262 0.629 1.00 0.00 H new ATOM 263 N ILE A 19 0.539 -4.368 2.467 1.00 0.00 N ATOM 264 CA ILE A 19 1.150 -5.210 3.491 1.00 0.00 C ATOM 265 C ILE A 19 1.132 -4.517 4.848 1.00 0.00 C ATOM 266 O ILE A 19 0.976 -5.161 5.884 1.00 0.00 O ATOM 267 CB ILE A 19 2.605 -5.574 3.137 1.00 0.00 C ATOM 268 CG1 ILE A 19 2.739 -5.839 1.629 1.00 0.00 C ATOM 269 CG2 ILE A 19 3.059 -6.785 3.939 1.00 0.00 C ATOM 270 CD1 ILE A 19 4.125 -6.281 1.212 1.00 0.00 C ATOM 0 H ILE A 19 1.184 -3.718 2.018 1.00 0.00 H new ATOM 0 HA ILE A 19 0.559 -6.125 3.538 1.00 0.00 H new ATOM 0 HB ILE A 19 3.247 -4.732 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.020 -6.605 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.477 -4.932 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.089 -7.029 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.999 -6.560 5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.415 -7.635 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.145 -6.449 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.847 -5.507 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.383 -7.206 1.729 1.00 0.00 H new ATOM 282 N ASP A 20 1.297 -3.196 4.839 1.00 0.00 N ATOM 283 CA ASP A 20 1.301 -2.413 6.068 1.00 0.00 C ATOM 284 C ASP A 20 -0.090 -1.985 6.444 1.00 0.00 C ATOM 285 O ASP A 20 -0.773 -1.342 5.654 1.00 0.00 O ATOM 286 CB ASP A 20 2.196 -1.185 5.910 1.00 0.00 C ATOM 287 CG ASP A 20 3.081 -0.951 7.125 1.00 0.00 C ATOM 288 OD1 ASP A 20 2.682 -1.366 8.232 1.00 0.00 O ATOM 289 OD2 ASP A 20 4.170 -0.364 6.961 1.00 0.00 O ATOM 0 H ASP A 20 1.430 -2.646 3.990 1.00 0.00 H new ATOM 0 HA ASP A 20 1.693 -3.044 6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.822 -1.307 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.575 -0.305 5.742 1.00 0.00 H new ATOM 294 N ARG A 21 -0.503 -2.341 7.651 1.00 0.00 N ATOM 295 CA ARG A 21 -1.827 -1.994 8.131 1.00 0.00 C ATOM 296 C ARG A 21 -1.774 -0.768 9.042 1.00 0.00 C ATOM 297 O ARG A 21 -1.916 -0.878 10.261 1.00 0.00 O ATOM 298 CB ARG A 21 -2.450 -3.176 8.878 1.00 0.00 C ATOM 299 CG ARG A 21 -3.469 -3.951 8.056 1.00 0.00 C ATOM 300 CD ARG A 21 -2.803 -5.034 7.225 1.00 0.00 C ATOM 301 NE ARG A 21 -2.898 -6.344 7.859 1.00 0.00 N ATOM 302 CZ ARG A 21 -2.192 -7.405 7.478 1.00 0.00 C ATOM 303 NH1 ARG A 21 -1.342 -7.318 6.460 1.00 0.00 N ATOM 304 NH2 ARG A 21 -2.335 -8.563 8.112 1.00 0.00 N ATOM 0 H ARG A 21 0.062 -2.871 8.315 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.447 -1.754 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.657 -3.855 9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.931 -2.809 9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.207 -4.402 8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.006 -3.266 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.268 -5.073 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.754 -4.780 7.072 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.544 -6.453 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.228 -6.433 5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.804 -8.136 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.987 -8.640 8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.793 -9.376 7.818 1.00 0.00 H new ATOM 318 N ILE A 22 -1.563 0.363 8.443 1.00 0.00 N ATOM 319 CA ILE A 22 -1.484 1.609 9.197 1.00 0.00 C ATOM 320 C ILE A 22 -2.351 2.690 8.555 1.00 0.00 C ATOM 321 O ILE A 22 -2.893 2.498 7.467 1.00 0.00 O ATOM 322 CB ILE A 22 -0.047 2.128 9.307 1.00 0.00 C ATOM 323 CG1 ILE A 22 0.932 0.977 9.206 1.00 0.00 C ATOM 324 CG2 ILE A 22 0.146 2.883 10.616 1.00 0.00 C ATOM 325 CD1 ILE A 22 2.378 1.420 9.254 1.00 0.00 C ATOM 0 H ILE A 22 -1.440 0.466 7.436 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.850 1.386 10.199 1.00 0.00 H new ATOM 0 HB ILE A 22 0.141 2.817 8.484 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.746 0.277 10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.754 0.438 8.276 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.172 3.245 10.679 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.541 3.729 10.653 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.055 2.216 11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.028 0.549 9.177 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.579 2.097 8.424 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.570 1.934 10.196 1.00 0.00 H new ATOM 337 N GLY A 23 -2.472 3.824 9.236 1.00 0.00 N ATOM 338 CA GLY A 23 -3.274 4.917 8.713 1.00 0.00 C ATOM 339 C GLY A 23 -2.793 6.269 9.197 1.00 0.00 C ATOM 340 O GLY A 23 -3.580 7.213 9.305 1.00 0.00 O ATOM 0 H GLY A 23 -2.031 4.007 10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.248 4.894 7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.313 4.776 9.010 1.00 0.00 H new ATOM 344 N SER A 24 -1.503 6.367 9.496 1.00 0.00 N ATOM 345 CA SER A 24 -0.921 7.616 9.968 1.00 0.00 C ATOM 346 C SER A 24 -0.872 8.660 8.855 1.00 0.00 C ATOM 347 O SER A 24 -1.595 9.653 8.891 1.00 0.00 O ATOM 348 CB SER A 24 0.476 7.370 10.515 1.00 0.00 C ATOM 349 OG SER A 24 0.635 6.016 10.888 1.00 0.00 O ATOM 0 H SER A 24 -0.840 5.595 9.420 1.00 0.00 H new ATOM 0 HA SER A 24 -1.556 8.002 10.766 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.219 7.635 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.653 8.013 11.377 1.00 0.00 H new ATOM 0 HG SER A 24 1.541 5.877 11.236 1.00 0.00 H new ATOM 355 N HIS A 25 -0.022 8.421 7.868 1.00 0.00 N ATOM 356 CA HIS A 25 0.120 9.335 6.742 1.00 0.00 C ATOM 357 C HIS A 25 -0.108 8.609 5.420 1.00 0.00 C ATOM 358 O HIS A 25 -1.038 8.930 4.683 1.00 0.00 O ATOM 359 CB HIS A 25 1.485 9.973 6.749 1.00 0.00 C ATOM 360 CG HIS A 25 1.501 11.379 6.229 1.00 0.00 C ATOM 361 ND1 HIS A 25 2.335 12.355 6.729 1.00 0.00 N ATOM 362 CD2 HIS A 25 0.782 11.969 5.244 1.00 0.00 C ATOM 363 CE1 HIS A 25 2.125 13.486 6.077 1.00 0.00 C ATOM 364 NE2 HIS A 25 1.187 13.276 5.175 1.00 0.00 N ATOM 0 H HIS A 25 0.582 7.600 7.823 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.635 10.114 6.844 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.872 9.968 7.768 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.162 9.366 6.148 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.030 11.497 4.628 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.635 14.422 6.253 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.821 13.975 4.529 1.00 0.00 H new ATOM 373 N SER A 26 0.716 7.634 5.128 1.00 0.00 N ATOM 374 CA SER A 26 0.600 6.863 3.895 1.00 0.00 C ATOM 375 C SER A 26 -0.711 6.147 3.820 1.00 0.00 C ATOM 376 O SER A 26 -1.477 6.143 4.787 1.00 0.00 O ATOM 377 CB SER A 26 1.741 5.849 3.797 1.00 0.00 C ATOM 378 OG SER A 26 2.960 6.408 4.249 1.00 0.00 O ATOM 0 H SER A 26 1.487 7.345 5.730 1.00 0.00 H new ATOM 0 HA SER A 26 0.658 7.562 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.500 4.967 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.850 5.518 2.764 1.00 0.00 H new ATOM 0 HG SER A 26 3.673 5.739 4.178 1.00 0.00 H new ATOM 384 N GLY A 27 -0.994 5.546 2.674 1.00 0.00 N ATOM 385 CA GLY A 27 -2.242 4.830 2.497 1.00 0.00 C ATOM 386 C GLY A 27 -2.173 3.798 1.390 1.00 0.00 C ATOM 387 O GLY A 27 -2.862 3.911 0.380 1.00 0.00 O ATOM 0 H GLY A 27 -0.379 5.541 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.509 4.337 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.036 5.543 2.275 1.00 0.00 H new ATOM 391 N LEU A 28 -1.329 2.786 1.583 1.00 0.00 N ATOM 392 CA LEU A 28 -1.163 1.728 0.591 1.00 0.00 C ATOM 393 C LEU A 28 -2.503 1.078 0.253 1.00 0.00 C ATOM 394 O LEU A 28 -3.506 1.319 0.922 1.00 0.00 O ATOM 395 CB LEU A 28 -0.182 0.669 1.102 1.00 0.00 C ATOM 396 CG LEU A 28 1.017 1.211 1.830 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.004 0.088 2.106 1.00 0.00 C ATOM 398 CD2 LEU A 28 1.680 2.313 1.011 1.00 0.00 C ATOM 0 H LEU A 28 -0.751 2.677 2.416 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.761 2.178 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.717 -0.009 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.163 0.077 0.255 1.00 0.00 H new ATOM 0 HG LEU A 28 0.693 1.637 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.871 0.487 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.525 -0.675 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.325 -0.354 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.546 2.696 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.000 1.910 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.968 3.122 0.846 1.00 0.00 H new ATOM 410 N GLY A 29 -2.506 0.249 -0.755 1.00 0.00 N ATOM 411 CA GLY A 29 -3.722 -0.389 -1.164 1.00 0.00 C ATOM 412 C GLY A 29 -4.135 -0.039 -2.578 1.00 0.00 C ATOM 413 O GLY A 29 -4.950 0.828 -2.790 1.00 0.00 O ATOM 0 H GLY A 29 -1.683 0.002 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.602 -1.469 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.521 -0.106 -0.479 1.00 0.00 H new ATOM 417 N CYS A 30 -3.574 -0.749 -3.551 1.00 0.00 N ATOM 418 CA CYS A 30 -3.890 -0.507 -4.955 1.00 0.00 C ATOM 419 C CYS A 30 -3.785 -1.793 -5.765 1.00 0.00 C ATOM 420 O CYS A 30 -4.724 -2.185 -6.460 1.00 0.00 O ATOM 421 CB CYS A 30 -2.956 0.518 -5.540 1.00 0.00 C ATOM 422 SG CYS A 30 -3.748 1.616 -6.765 1.00 0.00 S ATOM 0 H CYS A 30 -2.898 -1.497 -3.394 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.914 -0.135 -5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.545 1.125 -4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.118 0.006 -6.012 1.00 0.00 H new ATOM 427 N ASN A 31 -2.632 -2.456 -5.670 1.00 0.00 N ATOM 428 CA ASN A 31 -2.401 -3.698 -6.389 1.00 0.00 C ATOM 429 C ASN A 31 -3.425 -4.757 -5.999 1.00 0.00 C ATOM 430 O ASN A 31 -3.677 -4.986 -4.815 1.00 0.00 O ATOM 431 CB ASN A 31 -0.987 -4.205 -6.105 1.00 0.00 C ATOM 432 CG ASN A 31 0.026 -3.113 -6.217 1.00 0.00 C ATOM 433 OD1 ASN A 31 0.477 -2.560 -5.215 1.00 0.00 O ATOM 434 ND2 ASN A 31 0.414 -2.794 -7.451 1.00 0.00 N ATOM 0 H ASN A 31 -1.845 -2.148 -5.099 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.508 -3.502 -7.456 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.949 -4.635 -5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.740 -5.004 -6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.112 -2.064 -7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.013 -3.279 -8.253 1.00 0.00 H new ATOM 441 N LYS A 32 -4.019 -5.402 -7.000 1.00 0.00 N ATOM 442 CA LYS A 32 -5.015 -6.431 -6.761 1.00 0.00 C ATOM 443 C LYS A 32 -4.424 -7.588 -5.959 1.00 0.00 C ATOM 444 O LYS A 32 -3.348 -8.089 -6.281 1.00 0.00 O ATOM 445 CB LYS A 32 -5.562 -6.949 -8.092 1.00 0.00 C ATOM 446 CG LYS A 32 -4.489 -7.211 -9.137 1.00 0.00 C ATOM 447 CD LYS A 32 -4.410 -6.090 -10.157 1.00 0.00 C ATOM 448 CE LYS A 32 -5.158 -6.445 -11.431 1.00 0.00 C ATOM 449 NZ LYS A 32 -4.465 -5.933 -12.645 1.00 0.00 N ATOM 0 H LYS A 32 -3.824 -5.226 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.827 -5.991 -6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.114 -7.872 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.273 -6.224 -8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.523 -7.324 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.699 -8.152 -9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.828 -5.178 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.366 -5.883 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.261 -7.528 -11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.166 -6.032 -11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.008 -6.197 -13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.389 -4.897 -12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.513 -6.347 -12.702 1.00 0.00 H new ATOM 463 N VAL A 33 -5.138 -8.004 -4.918 1.00 0.00 N ATOM 464 CA VAL A 33 -4.687 -9.097 -4.073 1.00 0.00 C ATOM 465 C VAL A 33 -5.508 -10.354 -4.317 1.00 0.00 C ATOM 466 O VAL A 33 -6.378 -10.379 -5.194 1.00 0.00 O ATOM 467 CB VAL A 33 -4.772 -8.722 -2.581 1.00 0.00 C ATOM 468 CG1 VAL A 33 -3.820 -7.580 -2.265 1.00 0.00 C ATOM 469 CG2 VAL A 33 -6.196 -8.357 -2.200 1.00 0.00 C ATOM 0 H VAL A 33 -6.032 -7.598 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.647 -9.291 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.475 -9.589 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.893 -7.328 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.799 -7.883 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.085 -6.709 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.234 -8.096 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.525 -7.506 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.852 -9.207 -2.387 1.00 0.00 H new ATOM 479 N ASP A 34 -5.232 -11.399 -3.545 1.00 0.00 N ATOM 480 CA ASP A 34 -5.948 -12.660 -3.683 1.00 0.00 C ATOM 481 C ASP A 34 -7.378 -12.533 -3.164 1.00 0.00 C ATOM 482 O ASP A 34 -7.773 -13.215 -2.218 1.00 0.00 O ATOM 483 CB ASP A 34 -5.212 -13.769 -2.923 1.00 0.00 C ATOM 484 CG ASP A 34 -5.494 -15.144 -3.495 1.00 0.00 C ATOM 485 OD1 ASP A 34 -4.969 -15.455 -4.583 1.00 0.00 O ATOM 486 OD2 ASP A 34 -6.242 -15.913 -2.849 1.00 0.00 O ATOM 0 H ASP A 34 -4.517 -11.397 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.988 -12.916 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.139 -13.578 -2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.509 -13.746 -1.874 1.00 0.00 H new ATOM 491 N ASP A 35 -8.151 -11.652 -3.793 1.00 0.00 N ATOM 492 CA ASP A 35 -9.533 -11.432 -3.402 1.00 0.00 C ATOM 493 C ASP A 35 -10.471 -12.300 -4.233 1.00 0.00 C ATOM 494 O ASP A 35 -10.028 -13.161 -4.998 1.00 0.00 O ATOM 495 CB ASP A 35 -9.911 -9.952 -3.557 1.00 0.00 C ATOM 496 CG ASP A 35 -8.934 -9.162 -4.408 1.00 0.00 C ATOM 497 OD1 ASP A 35 -8.702 -9.558 -5.568 1.00 0.00 O ATOM 498 OD2 ASP A 35 -8.400 -8.150 -3.909 1.00 0.00 O ATOM 0 H ASP A 35 -7.839 -11.079 -4.577 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.636 -11.711 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.904 -9.884 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.971 -9.495 -2.569 1.00 0.00 H new ATOM 503 N ASN A 36 -11.773 -12.069 -4.077 1.00 0.00 N ATOM 504 CA ASN A 36 -12.782 -12.826 -4.810 1.00 0.00 C ATOM 505 C ASN A 36 -12.784 -14.290 -4.392 1.00 0.00 C ATOM 506 O ASN A 36 -13.684 -14.747 -3.687 1.00 0.00 O ATOM 507 CB ASN A 36 -12.553 -12.707 -6.318 1.00 0.00 C ATOM 508 CG ASN A 36 -13.620 -13.427 -7.127 1.00 0.00 C ATOM 509 OD1 ASN A 36 -14.485 -14.101 -6.571 1.00 0.00 O ATOM 510 ND2 ASN A 36 -13.554 -13.288 -8.445 1.00 0.00 N ATOM 0 H ASN A 36 -12.153 -11.362 -3.448 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.757 -12.403 -4.568 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.538 -11.654 -6.598 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.574 -13.117 -6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.240 -13.751 -9.042 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.818 -12.718 -8.861 1.00 0.00 H new ATOM 517 N LYS A 37 -11.766 -15.029 -4.825 1.00 0.00 N ATOM 518 CA LYS A 37 -11.651 -16.444 -4.495 1.00 0.00 C ATOM 519 C LYS A 37 -11.036 -16.630 -3.112 1.00 0.00 C ATOM 520 O LYS A 37 -9.996 -16.049 -2.801 1.00 0.00 O ATOM 521 CB LYS A 37 -10.807 -17.171 -5.545 1.00 0.00 C ATOM 522 CG LYS A 37 -9.381 -16.658 -5.636 1.00 0.00 C ATOM 523 CD LYS A 37 -8.430 -17.491 -4.796 1.00 0.00 C ATOM 524 CE LYS A 37 -8.071 -18.795 -5.494 1.00 0.00 C ATOM 525 NZ LYS A 37 -7.840 -19.898 -4.518 1.00 0.00 N ATOM 0 H LYS A 37 -11.009 -14.669 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.653 -16.872 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.788 -18.235 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.285 -17.068 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.055 -16.672 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.346 -15.620 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.523 -16.921 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.888 -17.707 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.873 -19.075 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.175 -18.650 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.598 -20.770 -5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.058 -19.641 -3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.703 -20.053 -3.959 1.00 0.00 H new ATOM 539 N GLY A 38 -11.682 -17.444 -2.285 1.00 0.00 N ATOM 540 CA GLY A 38 -11.183 -17.694 -0.946 1.00 0.00 C ATOM 541 C GLY A 38 -11.874 -16.839 0.095 1.00 0.00 C ATOM 542 O GLY A 38 -12.158 -17.363 1.162 1.00 0.00 O ATOM 543 OXT GLY A 38 -12.132 -15.649 -0.180 1.00 0.00 O ATOM 0 H GLY A 38 -12.544 -17.936 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.323 -18.746 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.111 -17.500 -0.918 1.00 0.00 H new TER 547 GLY A 38