USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 700 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 50 MET CE :methyl 142:sc= -0.0438 (180deg=-0.0573) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 ASN : amide:sc= 0.046 K(o=0.13,f=-1) USER MOD Set 2.2: A 99 GLN : amide:sc= 0.0851 X(o=0.13,f=-0.033) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -170:sc= 0.0288 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.7!) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0.429 (180deg=0.204) USER MOD Single : A 23 ASN : amide:sc= 0.491 X(o=0.49,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.796 K(o=0.8,f=-2.4!) USER MOD Single : A 37 THR OG1 : rot -17:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 0:sc= -0.0104 USER MOD Single : A 47 SER OG : rot 120:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 137:sc= 0.817 (180deg=-0.462) USER MOD Single : A 53 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-0.88) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.182 X(o=0.18,f=-0.05) USER MOD Single : A 67 THR OG1 : rot 88:sc= 1.14 USER MOD Single : A 68 ASN : amide:sc= 0.368 K(o=0.37,f=-3.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0.739) USER MOD Single : A 78 MET CE :methyl -171:sc= 0 (180deg=-0.00817) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= 0.402 (180deg=0.304) USER MOD Single : A 91 ASN : amide:sc= -0.147 X(o=-0.15,f=0.1) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.672 -0.253 -3.298 1.00 0.00 N ATOM 30 CA ASP A 3 4.443 -0.624 -4.719 1.00 0.00 C ATOM 31 C ASP A 3 5.578 -0.026 -5.637 1.00 0.00 C ATOM 32 O ASP A 3 5.613 1.201 -5.799 1.00 0.00 O ATOM 33 CB ASP A 3 3.018 -0.140 -5.095 1.00 0.00 C ATOM 34 CG ASP A 3 2.555 -0.572 -6.486 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.906 -0.018 -7.524 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.723 -1.648 -6.447 1.00 0.00 O ATOM 0 HA ASP A 3 4.495 -1.702 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.312 -0.518 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.989 0.948 -5.037 1.00 0.00 H new ATOM 41 N PRO A 4 6.482 -0.817 -6.289 1.00 0.00 N ATOM 42 CA PRO A 4 7.552 -0.259 -7.168 1.00 0.00 C ATOM 43 C PRO A 4 7.129 0.393 -8.528 1.00 0.00 C ATOM 44 O PRO A 4 7.799 1.327 -8.975 1.00 0.00 O ATOM 45 CB PRO A 4 8.518 -1.451 -7.309 1.00 0.00 C ATOM 46 CG PRO A 4 7.689 -2.710 -7.058 1.00 0.00 C ATOM 47 CD PRO A 4 6.573 -2.280 -6.109 1.00 0.00 C ATOM 0 HA PRO A 4 7.990 0.631 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.966 -1.473 -8.303 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.336 -1.375 -6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.282 -3.104 -7.989 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.298 -3.499 -6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.631 -2.770 -6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.807 -2.540 -5.077 1.00 0.00 H new ATOM 55 N ALA A 5 6.020 -0.037 -9.161 1.00 0.00 N ATOM 56 CA ALA A 5 5.401 0.692 -10.307 1.00 0.00 C ATOM 57 C ALA A 5 4.878 2.136 -9.988 1.00 0.00 C ATOM 58 O ALA A 5 5.217 3.079 -10.708 1.00 0.00 O ATOM 59 CB ALA A 5 4.309 -0.224 -10.890 1.00 0.00 C ATOM 0 H ALA A 5 5.525 -0.890 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 5 6.180 0.894 -11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.829 0.273 -11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.759 -1.158 -11.227 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.564 -0.436 -10.123 1.00 0.00 H new ATOM 65 N ALA A 6 4.131 2.335 -8.882 1.00 0.00 N ATOM 66 CA ALA A 6 3.907 3.687 -8.299 1.00 0.00 C ATOM 67 C ALA A 6 5.185 4.461 -7.819 1.00 0.00 C ATOM 68 O ALA A 6 5.273 5.672 -8.028 1.00 0.00 O ATOM 69 CB ALA A 6 2.869 3.526 -7.176 1.00 0.00 C ATOM 0 H ALA A 6 3.671 1.582 -8.371 1.00 0.00 H new ATOM 0 HA ALA A 6 3.547 4.332 -9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.674 4.496 -6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.943 3.127 -7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.253 2.840 -6.421 1.00 0.00 H new ATOM 75 N GLY A 7 6.203 3.788 -7.248 1.00 0.00 N ATOM 76 CA GLY A 7 7.558 4.385 -7.065 1.00 0.00 C ATOM 77 C GLY A 7 8.311 4.923 -8.309 1.00 0.00 C ATOM 78 O GLY A 7 8.981 5.951 -8.209 1.00 0.00 O ATOM 0 H GLY A 7 6.122 2.832 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.463 5.207 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.191 3.631 -6.597 1.00 0.00 H new ATOM 82 N GLU A 8 8.173 4.266 -9.474 1.00 0.00 N ATOM 83 CA GLU A 8 8.630 4.806 -10.788 1.00 0.00 C ATOM 84 C GLU A 8 7.996 6.178 -11.215 1.00 0.00 C ATOM 85 O GLU A 8 8.746 7.079 -11.602 1.00 0.00 O ATOM 86 CB GLU A 8 8.430 3.680 -11.839 1.00 0.00 C ATOM 87 CG GLU A 8 9.146 3.919 -13.191 1.00 0.00 C ATOM 88 CD GLU A 8 8.981 2.765 -14.175 1.00 0.00 C ATOM 89 OE1 GLU A 8 9.921 1.795 -14.001 1.00 0.00 O ATOM 90 OE2 GLU A 8 8.101 2.714 -15.028 1.00 0.00 O ATOM 0 H GLU A 8 7.742 3.344 -9.542 1.00 0.00 H new ATOM 0 HA GLU A 8 9.683 5.074 -10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.786 2.740 -11.416 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.363 3.561 -12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.757 4.831 -13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.208 4.082 -13.008 1.00 0.00 H new ATOM 97 N LYS A 9 6.661 6.372 -11.108 1.00 0.00 N ATOM 98 CA LYS A 9 6.036 7.729 -11.238 1.00 0.00 C ATOM 99 C LYS A 9 6.473 8.793 -10.172 1.00 0.00 C ATOM 100 O LYS A 9 6.754 9.937 -10.538 1.00 0.00 O ATOM 101 CB LYS A 9 4.495 7.639 -11.423 1.00 0.00 C ATOM 102 CG LYS A 9 3.627 7.203 -10.227 1.00 0.00 C ATOM 103 CD LYS A 9 2.116 7.266 -10.518 1.00 0.00 C ATOM 104 CE LYS A 9 1.277 6.832 -9.307 1.00 0.00 C ATOM 105 NZ LYS A 9 -0.159 6.905 -9.639 1.00 0.00 N ATOM 0 H LYS A 9 5.993 5.621 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 9 6.457 8.133 -12.159 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.144 8.619 -11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.301 6.946 -12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.894 6.184 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.852 7.840 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.844 8.283 -10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.884 6.625 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.541 5.815 -9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.495 7.474 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.721 6.610 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.407 7.882 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.362 6.274 -10.441 1.00 0.00 H new ATOM 118 N VAL A 10 6.595 8.416 -8.883 1.00 0.00 N ATOM 119 CA VAL A 10 7.210 9.284 -7.824 1.00 0.00 C ATOM 120 C VAL A 10 8.714 9.668 -8.102 1.00 0.00 C ATOM 121 O VAL A 10 9.091 10.819 -7.858 1.00 0.00 O ATOM 122 CB VAL A 10 6.975 8.665 -6.400 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.519 9.551 -5.254 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.486 8.397 -6.063 1.00 0.00 C ATOM 0 H VAL A 10 6.277 7.511 -8.535 1.00 0.00 H new ATOM 0 HA VAL A 10 6.692 10.242 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 10 7.520 7.723 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.325 9.067 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.593 9.690 -5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.023 10.521 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.410 7.970 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.930 9.334 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.069 7.698 -6.788 1.00 0.00 H new ATOM 134 N PHE A 11 9.551 8.766 -8.664 1.00 0.00 N ATOM 135 CA PHE A 11 10.893 9.128 -9.211 1.00 0.00 C ATOM 136 C PHE A 11 10.938 10.263 -10.309 1.00 0.00 C ATOM 137 O PHE A 11 11.984 10.897 -10.457 1.00 0.00 O ATOM 138 CB PHE A 11 11.613 7.818 -9.666 1.00 0.00 C ATOM 139 CG PHE A 11 13.147 7.939 -9.781 1.00 0.00 C ATOM 140 CD1 PHE A 11 13.955 7.686 -8.669 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.743 8.389 -10.965 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.319 7.955 -8.713 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.109 8.667 -11.004 1.00 0.00 C ATOM 144 CZ PHE A 11 15.893 8.472 -9.871 1.00 0.00 C ATOM 0 H PHE A 11 9.325 7.775 -8.754 1.00 0.00 H new ATOM 0 HA PHE A 11 11.433 9.606 -8.393 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.376 7.023 -8.959 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.211 7.515 -10.633 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.517 7.279 -7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.142 8.522 -11.853 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.934 7.762 -7.847 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.559 9.034 -11.915 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.944 8.721 -9.890 1.00 0.00 H new ATOM 154 N GLY A 12 9.830 10.596 -11.007 1.00 0.00 N ATOM 155 CA GLY A 12 9.678 11.898 -11.729 1.00 0.00 C ATOM 156 C GLY A 12 10.071 13.225 -11.017 1.00 0.00 C ATOM 157 O GLY A 12 10.643 14.110 -11.655 1.00 0.00 O ATOM 0 H GLY A 12 9.019 9.984 -11.091 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.266 11.833 -12.645 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.633 11.985 -12.027 1.00 0.00 H new ATOM 161 N LYS A 13 9.815 13.344 -9.703 1.00 0.00 N ATOM 162 CA LYS A 13 10.439 14.399 -8.841 1.00 0.00 C ATOM 163 C LYS A 13 12.000 14.316 -8.662 1.00 0.00 C ATOM 164 O LYS A 13 12.662 15.354 -8.601 1.00 0.00 O ATOM 165 CB LYS A 13 9.743 14.366 -7.450 1.00 0.00 C ATOM 166 CG LYS A 13 8.285 14.881 -7.415 1.00 0.00 C ATOM 167 CD LYS A 13 7.642 14.706 -6.024 1.00 0.00 C ATOM 168 CE LYS A 13 6.209 15.255 -5.906 1.00 0.00 C ATOM 169 NZ LYS A 13 6.186 16.733 -5.875 1.00 0.00 N ATOM 0 H LYS A 13 9.179 12.726 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 13 10.283 15.342 -9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.755 13.340 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.335 14.960 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.266 15.935 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.694 14.345 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.632 13.645 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.269 15.202 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.614 14.900 -6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.744 14.866 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.203 17.063 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.733 17.072 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.606 17.105 -6.751 1.00 0.00 H new ATOM 182 N CYS A 14 12.576 13.106 -8.547 1.00 0.00 N ATOM 183 CA CYS A 14 14.041 12.896 -8.397 1.00 0.00 C ATOM 184 C CYS A 14 14.897 12.955 -9.717 1.00 0.00 C ATOM 185 O CYS A 14 16.043 13.414 -9.672 1.00 0.00 O ATOM 186 CB CYS A 14 14.217 11.540 -7.667 1.00 0.00 C ATOM 187 SG CYS A 14 13.002 11.207 -6.347 1.00 0.00 S ATOM 0 H CYS A 14 12.042 12.237 -8.555 1.00 0.00 H new ATOM 0 HA CYS A 14 14.437 13.738 -7.830 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.159 10.739 -8.403 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.217 11.505 -7.236 1.00 0.00 H new ATOM 0 HG CYS A 14 13.369 10.157 -5.675 1.00 0.00 H new ATOM 192 N LYS A 15 14.365 12.487 -10.869 1.00 0.00 N ATOM 193 CA LYS A 15 15.139 12.256 -12.129 1.00 0.00 C ATOM 194 C LYS A 15 15.965 13.417 -12.771 1.00 0.00 C ATOM 195 O LYS A 15 17.036 13.155 -13.322 1.00 0.00 O ATOM 196 CB LYS A 15 14.214 11.558 -13.169 1.00 0.00 C ATOM 197 CG LYS A 15 13.116 12.418 -13.841 1.00 0.00 C ATOM 198 CD LYS A 15 12.249 11.606 -14.827 1.00 0.00 C ATOM 199 CE LYS A 15 11.144 12.423 -15.522 1.00 0.00 C ATOM 200 NZ LYS A 15 11.693 13.304 -16.574 1.00 0.00 N ATOM 0 H LYS A 15 13.376 12.254 -10.960 1.00 0.00 H new ATOM 0 HA LYS A 15 15.961 11.623 -11.795 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.845 11.144 -13.955 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.727 10.717 -12.675 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.477 12.851 -13.072 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.583 13.248 -14.371 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.896 11.171 -15.589 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.788 10.777 -14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.412 11.745 -15.961 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.617 13.025 -14.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.919 13.838 -17.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.373 13.968 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.174 12.727 -17.293 1.00 0.00 H new ATOM 213 N ALA A 16 15.491 14.676 -12.712 1.00 0.00 N ATOM 214 CA ALA A 16 16.280 15.857 -13.165 1.00 0.00 C ATOM 215 C ALA A 16 17.640 16.120 -12.428 1.00 0.00 C ATOM 216 O ALA A 16 18.619 16.512 -13.071 1.00 0.00 O ATOM 217 CB ALA A 16 15.334 17.071 -13.091 1.00 0.00 C ATOM 0 H ALA A 16 14.565 14.911 -12.356 1.00 0.00 H new ATOM 0 HA ALA A 16 16.622 15.655 -14.180 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.865 17.966 -13.414 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.476 16.904 -13.742 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.991 17.203 -12.065 1.00 0.00 H new ATOM 223 N CYS A 17 17.705 15.883 -11.105 1.00 0.00 N ATOM 224 CA CYS A 17 18.977 15.883 -10.340 1.00 0.00 C ATOM 225 C CYS A 17 19.729 14.507 -10.238 1.00 0.00 C ATOM 226 O CYS A 17 20.963 14.490 -10.274 1.00 0.00 O ATOM 227 CB CYS A 17 18.641 16.422 -8.935 1.00 0.00 C ATOM 228 SG CYS A 17 17.751 18.010 -8.960 1.00 0.00 S ATOM 0 H CYS A 17 16.884 15.686 -10.533 1.00 0.00 H new ATOM 0 HA CYS A 17 19.684 16.507 -10.886 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.037 15.684 -8.406 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.565 16.541 -8.370 1.00 0.00 H new ATOM 0 HG CYS A 17 17.506 18.390 -7.741 1.00 0.00 H new ATOM 233 N HIS A 18 19.004 13.388 -10.045 1.00 0.00 N ATOM 234 CA HIS A 18 19.581 12.058 -9.708 1.00 0.00 C ATOM 235 C HIS A 18 19.317 11.037 -10.857 1.00 0.00 C ATOM 236 O HIS A 18 18.161 10.746 -11.186 1.00 0.00 O ATOM 237 CB HIS A 18 18.899 11.572 -8.407 1.00 0.00 C ATOM 238 CG HIS A 18 19.394 12.232 -7.126 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.371 11.680 -6.350 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.778 13.276 -6.436 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.202 12.362 -5.188 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.318 13.433 -5.149 1.00 0.00 N ATOM 0 H HIS A 18 17.987 13.375 -10.118 1.00 0.00 H new ATOM 0 HA HIS A 18 20.660 12.139 -9.576 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.826 11.743 -8.493 1.00 0.00 H new ATOM 0 HB3 HIS A 18 19.044 10.495 -8.321 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.046 10.951 -6.581 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.985 13.887 -6.841 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.750 12.075 -4.303 1.00 0.00 H new ATOM 250 N LYS A 19 20.378 10.449 -11.436 1.00 0.00 N ATOM 251 CA LYS A 19 20.244 9.530 -12.604 1.00 0.00 C ATOM 252 C LYS A 19 20.439 8.046 -12.174 1.00 0.00 C ATOM 253 O LYS A 19 21.421 7.683 -11.519 1.00 0.00 O ATOM 254 CB LYS A 19 21.221 9.924 -13.747 1.00 0.00 C ATOM 255 CG LYS A 19 20.881 11.236 -14.500 1.00 0.00 C ATOM 256 CD LYS A 19 21.469 12.532 -13.892 1.00 0.00 C ATOM 257 CE LYS A 19 20.550 13.742 -14.134 1.00 0.00 C ATOM 258 NZ LYS A 19 21.154 14.996 -13.645 1.00 0.00 N ATOM 0 H LYS A 19 21.339 10.586 -11.123 1.00 0.00 H new ATOM 0 HA LYS A 19 19.231 9.630 -12.993 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.223 10.017 -13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.252 9.109 -14.470 1.00 0.00 H new ATOM 0 HG2 LYS A 19 21.235 11.146 -15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.797 11.337 -14.544 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.618 12.396 -12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.449 12.726 -14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.340 13.831 -15.200 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.595 13.579 -13.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.424 15.734 -13.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.561 14.840 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 21.903 15.299 -14.300 1.00 0.00 H new ATOM 271 N LEU A 20 19.514 7.168 -12.595 1.00 0.00 N ATOM 272 CA LEU A 20 19.598 5.703 -12.307 1.00 0.00 C ATOM 273 C LEU A 20 20.710 4.904 -13.061 1.00 0.00 C ATOM 274 O LEU A 20 21.160 3.885 -12.535 1.00 0.00 O ATOM 275 CB LEU A 20 18.207 5.046 -12.540 1.00 0.00 C ATOM 276 CG LEU A 20 17.060 5.495 -11.598 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.704 5.011 -12.126 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.245 5.013 -10.147 1.00 0.00 C ATOM 0 H LEU A 20 18.693 7.435 -13.138 1.00 0.00 H new ATOM 0 HA LEU A 20 19.901 5.644 -11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.903 5.248 -13.567 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.321 3.966 -12.447 1.00 0.00 H new ATOM 0 HG LEU A 20 17.089 6.585 -11.587 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.913 5.337 -11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.529 5.429 -13.117 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.704 3.923 -12.186 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.410 5.360 -9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.280 3.924 -10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.176 5.414 -9.746 1.00 0.00 H new ATOM 290 N ASP A 21 21.186 5.323 -14.249 1.00 0.00 N ATOM 291 CA ASP A 21 22.209 4.547 -15.021 1.00 0.00 C ATOM 292 C ASP A 21 23.684 4.820 -14.552 1.00 0.00 C ATOM 293 O ASP A 21 24.547 5.195 -15.350 1.00 0.00 O ATOM 294 CB ASP A 21 21.980 4.813 -16.537 1.00 0.00 C ATOM 295 CG ASP A 21 20.665 4.284 -17.113 1.00 0.00 C ATOM 296 OD1 ASP A 21 20.713 2.949 -17.373 1.00 0.00 O ATOM 297 OD2 ASP A 21 19.677 4.984 -17.312 1.00 0.00 O ATOM 0 H ASP A 21 20.889 6.187 -14.703 1.00 0.00 H new ATOM 0 HA ASP A 21 22.075 3.484 -14.823 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.024 5.888 -16.709 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.804 4.367 -17.094 1.00 0.00 H new ATOM 302 N GLY A 22 23.974 4.646 -13.245 1.00 0.00 N ATOM 303 CA GLY A 22 25.314 4.935 -12.656 1.00 0.00 C ATOM 304 C GLY A 22 25.906 6.377 -12.700 1.00 0.00 C ATOM 305 O GLY A 22 27.084 6.543 -12.383 1.00 0.00 O ATOM 0 H GLY A 22 23.295 4.303 -12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.276 4.635 -11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.030 4.278 -13.150 1.00 0.00 H new ATOM 309 N ASN A 23 25.126 7.400 -13.091 1.00 0.00 N ATOM 310 CA ASN A 23 25.636 8.773 -13.364 1.00 0.00 C ATOM 311 C ASN A 23 25.340 9.749 -12.182 1.00 0.00 C ATOM 312 O ASN A 23 24.222 9.824 -11.661 1.00 0.00 O ATOM 313 CB ASN A 23 25.009 9.288 -14.692 1.00 0.00 C ATOM 314 CG ASN A 23 25.738 8.874 -15.975 1.00 0.00 C ATOM 315 OD1 ASN A 23 26.530 9.628 -16.529 1.00 0.00 O ATOM 316 ND2 ASN A 23 25.515 7.698 -16.507 1.00 0.00 N ATOM 0 H ASN A 23 24.120 7.307 -13.230 1.00 0.00 H new ATOM 0 HA ASN A 23 26.721 8.733 -13.465 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.981 8.931 -14.749 1.00 0.00 H new ATOM 0 HB3 ASN A 23 24.967 10.377 -14.655 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.996 7.427 -17.364 1.00 0.00 H new ATOM 0 HD22 ASN A 23 24.860 7.054 -16.064 1.00 0.00 H new ATOM 323 N ASP A 24 26.363 10.529 -11.797 1.00 0.00 N ATOM 324 CA ASP A 24 26.266 11.511 -10.682 1.00 0.00 C ATOM 325 C ASP A 24 26.115 12.944 -11.283 1.00 0.00 C ATOM 326 O ASP A 24 27.084 13.497 -11.815 1.00 0.00 O ATOM 327 CB ASP A 24 27.520 11.376 -9.767 1.00 0.00 C ATOM 328 CG ASP A 24 27.845 9.996 -9.180 1.00 0.00 C ATOM 329 OD1 ASP A 24 26.731 9.310 -8.801 1.00 0.00 O ATOM 330 OD2 ASP A 24 28.984 9.554 -9.078 1.00 0.00 O ATOM 0 H ASP A 24 27.281 10.504 -12.242 1.00 0.00 H new ATOM 0 HA ASP A 24 25.390 11.317 -10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.387 11.707 -10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.402 12.072 -8.936 1.00 0.00 H new ATOM 335 N GLY A 25 24.899 13.519 -11.245 1.00 0.00 N ATOM 336 CA GLY A 25 24.613 14.818 -11.917 1.00 0.00 C ATOM 337 C GLY A 25 24.585 16.013 -10.949 1.00 0.00 C ATOM 338 O GLY A 25 25.633 16.439 -10.458 1.00 0.00 O ATOM 0 H GLY A 25 24.097 13.114 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 25 25.369 14.997 -12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.652 14.751 -12.428 1.00 0.00 H new ATOM 342 N VAL A 26 23.386 16.537 -10.654 1.00 0.00 N ATOM 343 CA VAL A 26 23.195 17.489 -9.506 1.00 0.00 C ATOM 344 C VAL A 26 23.201 16.730 -8.129 1.00 0.00 C ATOM 345 O VAL A 26 23.868 17.191 -7.200 1.00 0.00 O ATOM 346 CB VAL A 26 21.957 18.434 -9.710 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.783 19.484 -8.586 1.00 0.00 C ATOM 348 CG2 VAL A 26 21.961 19.217 -11.046 1.00 0.00 C ATOM 0 H VAL A 26 22.534 16.333 -11.176 1.00 0.00 H new ATOM 0 HA VAL A 26 24.053 18.161 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 26 21.130 17.724 -9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.908 20.100 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.649 18.976 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.669 20.117 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.071 19.844 -11.103 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.851 19.845 -11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.964 18.515 -11.879 1.00 0.00 H new ATOM 358 N GLY A 27 22.507 15.581 -8.001 1.00 0.00 N ATOM 359 CA GLY A 27 22.766 14.601 -6.917 1.00 0.00 C ATOM 360 C GLY A 27 23.424 13.260 -7.380 1.00 0.00 C ATOM 361 O GLY A 27 23.424 12.957 -8.581 1.00 0.00 O ATOM 0 H GLY A 27 21.759 15.305 -8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.412 15.067 -6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.822 14.373 -6.421 1.00 0.00 H new ATOM 365 N PRO A 28 23.968 12.398 -6.471 1.00 0.00 N ATOM 366 CA PRO A 28 24.581 11.093 -6.859 1.00 0.00 C ATOM 367 C PRO A 28 23.557 9.981 -7.253 1.00 0.00 C ATOM 368 O PRO A 28 22.439 9.944 -6.735 1.00 0.00 O ATOM 369 CB PRO A 28 25.364 10.738 -5.580 1.00 0.00 C ATOM 370 CG PRO A 28 24.535 11.342 -4.447 1.00 0.00 C ATOM 371 CD PRO A 28 24.034 12.665 -5.020 1.00 0.00 C ATOM 0 HA PRO A 28 25.184 11.167 -7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.468 9.659 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.371 11.155 -5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.708 10.690 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 28 25.137 11.497 -3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 28 23.059 12.936 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.713 13.486 -4.792 1.00 0.00 H new ATOM 379 N HIS A 29 23.950 9.037 -8.123 1.00 0.00 N ATOM 380 CA HIS A 29 23.053 7.955 -8.630 1.00 0.00 C ATOM 381 C HIS A 29 22.224 7.180 -7.544 1.00 0.00 C ATOM 382 O HIS A 29 22.788 6.601 -6.611 1.00 0.00 O ATOM 383 CB HIS A 29 23.855 6.986 -9.551 1.00 0.00 C ATOM 384 CG HIS A 29 24.917 6.075 -8.919 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.165 6.505 -8.477 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.788 4.683 -8.767 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.682 5.297 -8.080 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.935 4.156 -8.205 1.00 0.00 N ATOM 0 H HIS A 29 24.896 8.992 -8.502 1.00 0.00 H new ATOM 0 HA HIS A 29 22.283 8.467 -9.207 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.136 6.348 -10.064 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.348 7.588 -10.314 1.00 0.00 H new ATOM 0 HD1 HIS A 29 26.574 7.439 -8.455 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.918 4.109 -9.049 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.679 5.246 -7.668 1.00 0.00 H new ATOM 396 N LEU A 30 20.886 7.198 -7.651 1.00 0.00 N ATOM 397 CA LEU A 30 19.992 6.475 -6.683 1.00 0.00 C ATOM 398 C LEU A 30 19.778 4.945 -6.930 1.00 0.00 C ATOM 399 O LEU A 30 19.272 4.253 -6.043 1.00 0.00 O ATOM 400 CB LEU A 30 18.643 7.232 -6.549 1.00 0.00 C ATOM 401 CG LEU A 30 18.717 8.628 -5.881 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.400 9.392 -6.068 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.061 8.585 -4.382 1.00 0.00 C ATOM 0 H LEU A 30 20.386 7.697 -8.387 1.00 0.00 H new ATOM 0 HA LEU A 30 20.535 6.487 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.213 7.348 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 30 17.955 6.611 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 30 19.534 9.144 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.475 10.369 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.203 9.522 -7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.585 8.828 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.094 9.600 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.300 8.013 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.033 8.111 -4.245 1.00 0.00 H new ATOM 415 N ASN A 31 20.232 4.401 -8.073 1.00 0.00 N ATOM 416 CA ASN A 31 20.453 2.947 -8.256 1.00 0.00 C ATOM 417 C ASN A 31 21.560 2.420 -7.279 1.00 0.00 C ATOM 418 O ASN A 31 22.726 2.816 -7.359 1.00 0.00 O ATOM 419 CB ASN A 31 20.789 2.781 -9.758 1.00 0.00 C ATOM 420 CG ASN A 31 20.978 1.340 -10.217 1.00 0.00 C ATOM 421 OD1 ASN A 31 20.013 0.619 -10.450 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.211 0.894 -10.315 1.00 0.00 N ATOM 0 H ASN A 31 20.458 4.954 -8.900 1.00 0.00 H new ATOM 0 HA ASN A 31 19.582 2.342 -8.004 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.990 3.233 -10.346 1.00 0.00 H new ATOM 0 HB3 ASN A 31 21.700 3.339 -9.976 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.383 -0.073 -10.591 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.995 1.515 -10.116 1.00 0.00 H new ATOM 429 N GLY A 32 21.158 1.594 -6.307 1.00 0.00 N ATOM 430 CA GLY A 32 22.050 1.184 -5.189 1.00 0.00 C ATOM 431 C GLY A 32 22.218 2.200 -4.038 1.00 0.00 C ATOM 432 O GLY A 32 23.342 2.414 -3.584 1.00 0.00 O ATOM 0 H GLY A 32 20.223 1.190 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.667 0.253 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.036 0.967 -5.600 1.00 0.00 H new ATOM 436 N VAL A 33 21.118 2.801 -3.555 1.00 0.00 N ATOM 437 CA VAL A 33 21.110 3.647 -2.318 1.00 0.00 C ATOM 438 C VAL A 33 20.575 2.925 -1.031 1.00 0.00 C ATOM 439 O VAL A 33 21.023 3.266 0.066 1.00 0.00 O ATOM 440 CB VAL A 33 20.435 5.032 -2.602 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.896 4.993 -2.714 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.825 6.112 -1.566 1.00 0.00 C ATOM 0 H VAL A 33 20.203 2.723 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 33 22.153 3.838 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 33 20.830 5.298 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.520 5.997 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.607 4.331 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.472 4.624 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.328 7.050 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.518 5.790 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.905 6.259 -1.582 1.00 0.00 H new ATOM 452 N VAL A 34 19.631 1.965 -1.127 1.00 0.00 N ATOM 453 CA VAL A 34 18.994 1.308 0.056 1.00 0.00 C ATOM 454 C VAL A 34 20.018 0.328 0.727 1.00 0.00 C ATOM 455 O VAL A 34 20.349 -0.723 0.173 1.00 0.00 O ATOM 456 CB VAL A 34 17.635 0.624 -0.337 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.907 0.051 0.905 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.623 1.558 -1.046 1.00 0.00 C ATOM 0 H VAL A 34 19.283 1.617 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 34 18.734 2.061 0.800 1.00 0.00 H new ATOM 0 HB VAL A 34 17.938 -0.159 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.971 -0.414 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.541 -0.694 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.696 0.857 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.716 1.001 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.377 2.393 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.063 1.938 -1.968 1.00 0.00 H new ATOM 468 N GLY A 35 20.555 0.720 1.895 1.00 0.00 N ATOM 469 CA GLY A 35 21.791 0.100 2.452 1.00 0.00 C ATOM 470 C GLY A 35 23.154 0.801 2.203 1.00 0.00 C ATOM 471 O GLY A 35 24.125 0.415 2.855 1.00 0.00 O ATOM 0 H GLY A 35 20.162 1.460 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.658 0.009 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.862 -0.912 2.053 1.00 0.00 H new ATOM 475 N ARG A 36 23.268 1.800 1.303 1.00 0.00 N ATOM 476 CA ARG A 36 24.560 2.486 1.013 1.00 0.00 C ATOM 477 C ARG A 36 25.024 3.432 2.165 1.00 0.00 C ATOM 478 O ARG A 36 24.233 4.190 2.731 1.00 0.00 O ATOM 479 CB ARG A 36 24.420 3.249 -0.335 1.00 0.00 C ATOM 480 CG ARG A 36 25.718 3.932 -0.851 1.00 0.00 C ATOM 481 CD ARG A 36 25.664 4.442 -2.301 1.00 0.00 C ATOM 482 NE ARG A 36 24.816 5.661 -2.462 1.00 0.00 N ATOM 483 CZ ARG A 36 24.211 6.023 -3.596 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.028 5.219 -4.608 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.775 7.244 -3.714 1.00 0.00 N ATOM 0 H ARG A 36 22.482 2.156 0.759 1.00 0.00 H new ATOM 0 HA ARG A 36 25.342 1.731 0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.071 2.550 -1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.648 4.011 -0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 36 25.951 4.772 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.541 3.223 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.676 4.663 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.278 3.651 -2.944 1.00 0.00 H new ATOM 0 HE ARG A 36 24.690 6.260 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.355 4.254 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.558 5.556 -5.448 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.898 7.906 -2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.310 7.539 -4.573 1.00 0.00 H new ATOM 499 N THR A 37 26.337 3.432 2.445 1.00 0.00 N ATOM 500 CA THR A 37 26.961 4.330 3.458 1.00 0.00 C ATOM 501 C THR A 37 26.764 5.854 3.148 1.00 0.00 C ATOM 502 O THR A 37 26.867 6.304 2.000 1.00 0.00 O ATOM 503 CB THR A 37 28.443 3.885 3.650 1.00 0.00 C ATOM 504 OG1 THR A 37 28.496 2.508 4.028 1.00 0.00 O ATOM 505 CG2 THR A 37 29.219 4.640 4.741 1.00 0.00 C ATOM 0 H THR A 37 27.004 2.814 1.982 1.00 0.00 H new ATOM 0 HA THR A 37 26.447 4.223 4.413 1.00 0.00 H new ATOM 0 HB THR A 37 28.906 4.097 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 37 27.612 2.220 4.338 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.238 4.256 4.795 1.00 0.00 H new ATOM 0 HG22 THR A 37 29.244 5.703 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.726 4.497 5.703 1.00 0.00 H new ATOM 513 N VAL A 38 26.440 6.633 4.196 1.00 0.00 N ATOM 514 CA VAL A 38 26.136 8.092 4.074 1.00 0.00 C ATOM 515 C VAL A 38 27.421 8.897 3.670 1.00 0.00 C ATOM 516 O VAL A 38 28.476 8.774 4.300 1.00 0.00 O ATOM 517 CB VAL A 38 25.457 8.613 5.387 1.00 0.00 C ATOM 518 CG1 VAL A 38 25.141 10.123 5.364 1.00 0.00 C ATOM 519 CG2 VAL A 38 24.125 7.908 5.745 1.00 0.00 C ATOM 0 H VAL A 38 26.379 6.282 5.152 1.00 0.00 H new ATOM 0 HA VAL A 38 25.419 8.251 3.268 1.00 0.00 H new ATOM 0 HB VAL A 38 26.216 8.383 6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.673 10.411 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 38 26.065 10.686 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.462 10.340 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.726 8.331 6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.407 8.055 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.303 6.842 5.883 1.00 0.00 H new ATOM 529 N ALA A 39 27.321 9.683 2.577 1.00 0.00 N ATOM 530 CA ALA A 39 28.499 10.250 1.852 1.00 0.00 C ATOM 531 C ALA A 39 29.510 9.212 1.234 1.00 0.00 C ATOM 532 O ALA A 39 30.728 9.399 1.290 1.00 0.00 O ATOM 533 CB ALA A 39 29.147 11.376 2.689 1.00 0.00 C ATOM 0 H ALA A 39 26.426 9.948 2.165 1.00 0.00 H new ATOM 0 HA ALA A 39 28.106 10.696 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 39 30.004 11.782 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.418 12.168 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.477 10.974 3.647 1.00 0.00 H new ATOM 539 N GLY A 40 28.997 8.134 0.607 1.00 0.00 N ATOM 540 CA GLY A 40 29.835 6.983 0.158 1.00 0.00 C ATOM 541 C GLY A 40 30.148 6.802 -1.346 1.00 0.00 C ATOM 542 O GLY A 40 30.889 5.876 -1.680 1.00 0.00 O ATOM 0 H GLY A 40 28.005 8.028 0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.788 7.050 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 40 29.346 6.071 0.501 1.00 0.00 H new ATOM 546 N VAL A 41 29.619 7.638 -2.256 1.00 0.00 N ATOM 547 CA VAL A 41 29.912 7.542 -3.718 1.00 0.00 C ATOM 548 C VAL A 41 31.255 8.284 -4.033 1.00 0.00 C ATOM 549 O VAL A 41 31.293 9.515 -4.142 1.00 0.00 O ATOM 550 CB VAL A 41 28.692 8.055 -4.560 1.00 0.00 C ATOM 551 CG1 VAL A 41 28.947 8.103 -6.085 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.418 7.203 -4.369 1.00 0.00 C ATOM 0 H VAL A 41 28.981 8.396 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 41 30.052 6.501 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 41 28.552 9.064 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.054 8.469 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.782 8.772 -6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.185 7.102 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.612 7.612 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.618 6.176 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 41 27.123 7.220 -3.320 1.00 0.00 H new ATOM 562 N ASP A 42 32.341 7.514 -4.239 1.00 0.00 N ATOM 563 CA ASP A 42 33.643 8.055 -4.720 1.00 0.00 C ATOM 564 C ASP A 42 33.541 8.470 -6.230 1.00 0.00 C ATOM 565 O ASP A 42 33.451 7.623 -7.124 1.00 0.00 O ATOM 566 CB ASP A 42 34.722 6.979 -4.427 1.00 0.00 C ATOM 567 CG ASP A 42 36.160 7.466 -4.599 1.00 0.00 C ATOM 568 OD1 ASP A 42 36.624 8.111 -3.488 1.00 0.00 O ATOM 569 OD2 ASP A 42 36.811 7.295 -5.625 1.00 0.00 O ATOM 0 H ASP A 42 32.349 6.506 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 42 33.925 8.970 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.592 6.620 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.558 6.128 -5.088 1.00 0.00 H new ATOM 574 N GLY A 43 33.458 9.784 -6.476 1.00 0.00 N ATOM 575 CA GLY A 43 32.871 10.318 -7.736 1.00 0.00 C ATOM 576 C GLY A 43 32.085 11.631 -7.534 1.00 0.00 C ATOM 577 O GLY A 43 32.397 12.637 -8.175 1.00 0.00 O ATOM 0 H GLY A 43 33.785 10.502 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.670 10.488 -8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.208 9.568 -8.166 1.00 0.00 H new ATOM 581 N PHE A 44 31.077 11.626 -6.644 1.00 0.00 N ATOM 582 CA PHE A 44 30.364 12.863 -6.233 1.00 0.00 C ATOM 583 C PHE A 44 31.082 13.559 -5.028 1.00 0.00 C ATOM 584 O PHE A 44 31.315 12.944 -3.981 1.00 0.00 O ATOM 585 CB PHE A 44 28.896 12.472 -5.906 1.00 0.00 C ATOM 586 CG PHE A 44 27.950 13.669 -5.700 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.374 14.314 -6.800 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.694 14.151 -4.412 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.554 15.422 -6.613 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.877 15.264 -4.226 1.00 0.00 C ATOM 591 CZ PHE A 44 26.305 15.895 -5.328 1.00 0.00 C ATOM 0 H PHE A 44 30.732 10.780 -6.191 1.00 0.00 H new ATOM 0 HA PHE A 44 30.371 13.596 -7.039 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.509 11.853 -6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.888 11.859 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.567 13.950 -7.798 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.132 13.658 -3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.110 15.915 -7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.688 15.636 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.666 16.754 -5.185 1.00 0.00 H new ATOM 601 N ASN A 45 31.372 14.866 -5.158 1.00 0.00 N ATOM 602 CA ASN A 45 31.892 15.687 -4.031 1.00 0.00 C ATOM 603 C ASN A 45 30.719 16.163 -3.109 1.00 0.00 C ATOM 604 O ASN A 45 29.968 17.077 -3.461 1.00 0.00 O ATOM 605 CB ASN A 45 32.719 16.851 -4.641 1.00 0.00 C ATOM 606 CG ASN A 45 33.524 17.658 -3.619 1.00 0.00 C ATOM 607 OD1 ASN A 45 34.605 17.270 -3.194 1.00 0.00 O ATOM 608 ND2 ASN A 45 33.028 18.788 -3.178 1.00 0.00 N ATOM 0 H ASN A 45 31.258 15.384 -6.029 1.00 0.00 H new ATOM 0 HA ASN A 45 32.547 15.106 -3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 45 33.404 16.443 -5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 45 32.042 17.525 -5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 45 33.542 19.335 -2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 45 32.128 19.120 -3.525 1.00 0.00 H new ATOM 615 N TYR A 46 30.582 15.545 -1.927 1.00 0.00 N ATOM 616 CA TYR A 46 29.492 15.863 -0.961 1.00 0.00 C ATOM 617 C TYR A 46 29.751 17.167 -0.125 1.00 0.00 C ATOM 618 O TYR A 46 30.889 17.613 0.058 1.00 0.00 O ATOM 619 CB TYR A 46 29.295 14.624 -0.031 1.00 0.00 C ATOM 620 CG TYR A 46 28.684 13.371 -0.686 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.296 13.210 -0.735 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.507 12.377 -1.227 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.742 12.065 -1.300 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.950 11.239 -1.804 1.00 0.00 C ATOM 625 CZ TYR A 46 27.567 11.069 -1.820 1.00 0.00 C ATOM 626 OH TYR A 46 27.045 9.896 -2.311 1.00 0.00 O ATOM 0 H TYR A 46 31.214 14.813 -1.604 1.00 0.00 H new ATOM 0 HA TYR A 46 28.584 16.071 -1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.264 14.353 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.658 14.920 0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.651 13.977 -0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.580 12.493 -1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.669 11.948 -1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.591 10.487 -2.240 1.00 0.00 H new ATOM 0 HH TYR A 46 26.069 9.911 -2.224 1.00 0.00 H new ATOM 636 N SER A 47 28.677 17.757 0.431 1.00 0.00 N ATOM 637 CA SER A 47 28.793 18.841 1.449 1.00 0.00 C ATOM 638 C SER A 47 29.173 18.308 2.873 1.00 0.00 C ATOM 639 O SER A 47 28.749 17.220 3.278 1.00 0.00 O ATOM 640 CB SER A 47 27.467 19.642 1.458 1.00 0.00 C ATOM 641 OG SER A 47 26.342 18.855 1.857 1.00 0.00 O ATOM 0 H SER A 47 27.715 17.508 0.199 1.00 0.00 H new ATOM 0 HA SER A 47 29.618 19.497 1.172 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.567 20.492 2.133 1.00 0.00 H new ATOM 0 HB3 SER A 47 27.286 20.046 0.462 1.00 0.00 H new ATOM 0 HG SER A 47 25.939 19.245 2.661 1.00 0.00 H new ATOM 647 N ASP A 48 29.934 19.101 3.652 1.00 0.00 N ATOM 648 CA ASP A 48 30.455 18.689 4.994 1.00 0.00 C ATOM 649 C ASP A 48 29.417 18.166 6.059 1.00 0.00 C ATOM 650 O ASP A 48 29.727 17.124 6.647 1.00 0.00 O ATOM 651 CB ASP A 48 31.361 19.807 5.578 1.00 0.00 C ATOM 652 CG ASP A 48 32.644 20.080 4.792 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.635 19.196 5.093 1.00 0.00 O ATOM 654 OD2 ASP A 48 32.760 20.985 3.973 1.00 0.00 O ATOM 0 H ASP A 48 30.211 20.044 3.381 1.00 0.00 H new ATOM 0 HA ASP A 48 31.030 17.787 4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 48 30.783 20.730 5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.630 19.539 6.600 1.00 0.00 H new ATOM 659 N PRO A 49 28.205 18.747 6.329 1.00 0.00 N ATOM 660 CA PRO A 49 27.189 18.091 7.202 1.00 0.00 C ATOM 661 C PRO A 49 26.536 16.757 6.697 1.00 0.00 C ATOM 662 O PRO A 49 26.053 15.985 7.527 1.00 0.00 O ATOM 663 CB PRO A 49 26.203 19.233 7.501 1.00 0.00 C ATOM 664 CG PRO A 49 26.385 20.274 6.396 1.00 0.00 C ATOM 665 CD PRO A 49 27.760 20.038 5.771 1.00 0.00 C ATOM 0 HA PRO A 49 27.659 17.676 8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.178 18.864 7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.402 19.669 8.480 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.600 20.179 5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.316 21.283 6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.700 20.000 4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.454 20.840 6.024 1.00 0.00 H new ATOM 673 N MET A 50 26.576 16.437 5.387 1.00 0.00 N ATOM 674 CA MET A 50 26.335 15.050 4.883 1.00 0.00 C ATOM 675 C MET A 50 27.468 14.028 5.247 1.00 0.00 C ATOM 676 O MET A 50 27.153 12.940 5.734 1.00 0.00 O ATOM 677 CB MET A 50 26.025 15.141 3.365 1.00 0.00 C ATOM 678 CG MET A 50 25.557 13.833 2.693 1.00 0.00 C ATOM 679 SD MET A 50 24.130 13.127 3.541 1.00 0.00 S ATOM 680 CE MET A 50 22.800 14.106 2.827 1.00 0.00 C ATOM 0 H MET A 50 26.772 17.115 4.650 1.00 0.00 H new ATOM 0 HA MET A 50 25.473 14.628 5.399 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.256 15.899 3.216 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.921 15.490 2.851 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.302 14.029 1.651 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.374 13.111 2.691 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.927 13.473 2.667 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.540 14.917 3.507 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.126 14.522 1.874 1.00 0.00 H new ATOM 690 N LYS A 51 28.765 14.373 5.087 1.00 0.00 N ATOM 691 CA LYS A 51 29.889 13.613 5.723 1.00 0.00 C ATOM 692 C LYS A 51 29.817 13.447 7.280 1.00 0.00 C ATOM 693 O LYS A 51 30.022 12.336 7.777 1.00 0.00 O ATOM 694 CB LYS A 51 31.249 14.208 5.262 1.00 0.00 C ATOM 695 CG LYS A 51 31.695 13.802 3.836 1.00 0.00 C ATOM 696 CD LYS A 51 33.059 14.402 3.420 1.00 0.00 C ATOM 697 CE LYS A 51 32.973 15.791 2.760 1.00 0.00 C ATOM 698 NZ LYS A 51 32.622 15.665 1.330 1.00 0.00 N ATOM 0 H LYS A 51 29.069 15.169 4.526 1.00 0.00 H new ATOM 0 HA LYS A 51 29.786 12.588 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.187 15.295 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.020 13.901 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.753 12.715 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.935 14.120 3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 51 33.695 14.472 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 51 33.548 13.715 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.226 16.397 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 51 33.927 16.308 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 31.911 16.383 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.474 15.806 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 32.234 14.717 1.150 1.00 0.00 H new ATOM 711 N ALA A 52 29.484 14.505 8.041 1.00 0.00 N ATOM 712 CA ALA A 52 29.171 14.384 9.492 1.00 0.00 C ATOM 713 C ALA A 52 27.861 13.631 9.920 1.00 0.00 C ATOM 714 O ALA A 52 27.764 13.239 11.086 1.00 0.00 O ATOM 715 CB ALA A 52 29.174 15.818 10.039 1.00 0.00 C ATOM 0 H ALA A 52 29.422 15.458 7.682 1.00 0.00 H new ATOM 0 HA ALA A 52 29.932 13.728 9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 52 28.950 15.801 11.106 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.155 16.265 9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 52 28.419 16.407 9.519 1.00 0.00 H new ATOM 721 N HIS A 53 26.873 13.411 9.026 1.00 0.00 N ATOM 722 CA HIS A 53 25.636 12.635 9.341 1.00 0.00 C ATOM 723 C HIS A 53 25.886 11.122 9.675 1.00 0.00 C ATOM 724 O HIS A 53 25.450 10.664 10.734 1.00 0.00 O ATOM 725 CB HIS A 53 24.617 12.900 8.193 1.00 0.00 C ATOM 726 CG HIS A 53 23.221 12.276 8.320 1.00 0.00 C ATOM 727 ND1 HIS A 53 22.578 11.626 7.272 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.360 12.387 9.427 1.00 0.00 C ATOM 729 CE1 HIS A 53 21.374 11.365 7.872 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.144 11.786 9.154 1.00 0.00 N ATOM 0 H HIS A 53 26.902 13.761 8.068 1.00 0.00 H new ATOM 0 HA HIS A 53 25.210 12.986 10.281 1.00 0.00 H new ATOM 0 HB2 HIS A 53 24.495 13.979 8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.060 12.544 7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 53 22.612 12.873 10.358 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.607 10.828 7.334 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.315 11.686 9.740 1.00 0.00 H new ATOM 738 N GLY A 54 26.598 10.369 8.813 1.00 0.00 N ATOM 739 CA GLY A 54 27.103 9.017 9.172 1.00 0.00 C ATOM 740 C GLY A 54 26.109 7.832 9.103 1.00 0.00 C ATOM 741 O GLY A 54 24.890 7.989 8.998 1.00 0.00 O ATOM 0 H GLY A 54 26.838 10.667 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 54 27.943 8.788 8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 54 27.496 9.065 10.187 1.00 0.00 H new ATOM 745 N GLY A 55 26.669 6.616 9.175 1.00 0.00 N ATOM 746 CA GLY A 55 25.871 5.363 9.086 1.00 0.00 C ATOM 747 C GLY A 55 25.544 4.899 7.647 1.00 0.00 C ATOM 748 O GLY A 55 26.352 5.056 6.728 1.00 0.00 O ATOM 0 H GLY A 55 27.670 6.463 9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.415 4.567 9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 55 24.936 5.506 9.627 1.00 0.00 H new ATOM 752 N ASP A 56 24.357 4.303 7.464 1.00 0.00 N ATOM 753 CA ASP A 56 23.888 3.816 6.133 1.00 0.00 C ATOM 754 C ASP A 56 22.443 4.311 5.819 1.00 0.00 C ATOM 755 O ASP A 56 21.614 4.516 6.716 1.00 0.00 O ATOM 756 CB ASP A 56 23.963 2.265 6.040 1.00 0.00 C ATOM 757 CG ASP A 56 25.352 1.634 6.201 1.00 0.00 C ATOM 758 OD1 ASP A 56 26.313 1.872 5.472 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.404 0.772 7.254 1.00 0.00 O ATOM 0 H ASP A 56 23.691 4.140 8.219 1.00 0.00 H new ATOM 0 HA ASP A 56 24.559 4.236 5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.308 1.846 6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.561 1.962 5.073 1.00 0.00 H new ATOM 764 N TRP A 57 22.117 4.433 4.519 1.00 0.00 N ATOM 765 CA TRP A 57 20.751 4.797 4.050 1.00 0.00 C ATOM 766 C TRP A 57 19.736 3.611 4.137 1.00 0.00 C ATOM 767 O TRP A 57 19.336 2.990 3.149 1.00 0.00 O ATOM 768 CB TRP A 57 20.861 5.412 2.627 1.00 0.00 C ATOM 769 CG TRP A 57 21.390 6.849 2.572 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.602 7.249 1.975 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.851 7.997 3.135 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.830 8.627 2.147 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.743 9.065 2.878 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.687 8.210 3.921 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.490 10.348 3.412 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.460 9.484 4.441 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.349 10.537 4.192 1.00 0.00 C ATOM 0 H TRP A 57 22.783 4.285 3.761 1.00 0.00 H new ATOM 0 HA TRP A 57 20.333 5.546 4.723 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.514 4.779 2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.876 5.387 2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.271 6.582 1.452 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.619 9.178 1.809 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.994 7.404 4.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 22.167 11.167 3.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.583 9.662 5.046 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.148 11.512 4.611 1.00 0.00 H new ATOM 788 N THR A 58 19.301 3.349 5.374 1.00 0.00 N ATOM 789 CA THR A 58 18.255 2.345 5.709 1.00 0.00 C ATOM 790 C THR A 58 16.803 2.841 5.347 1.00 0.00 C ATOM 791 O THR A 58 16.596 4.057 5.232 1.00 0.00 O ATOM 792 CB THR A 58 18.380 1.993 7.231 1.00 0.00 C ATOM 793 OG1 THR A 58 18.184 3.136 8.058 1.00 0.00 O ATOM 794 CG2 THR A 58 19.711 1.345 7.655 1.00 0.00 C ATOM 0 H THR A 58 19.666 3.832 6.195 1.00 0.00 H new ATOM 0 HA THR A 58 18.417 1.452 5.106 1.00 0.00 H new ATOM 0 HB THR A 58 17.591 1.254 7.371 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.268 2.877 8.999 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.692 1.143 8.726 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.850 0.410 7.111 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.534 2.023 7.428 1.00 0.00 H new ATOM 802 N PRO A 59 15.749 1.981 5.196 1.00 0.00 N ATOM 803 CA PRO A 59 14.355 2.458 4.933 1.00 0.00 C ATOM 804 C PRO A 59 13.690 3.421 5.982 1.00 0.00 C ATOM 805 O PRO A 59 12.869 4.259 5.597 1.00 0.00 O ATOM 806 CB PRO A 59 13.597 1.138 4.688 1.00 0.00 C ATOM 807 CG PRO A 59 14.415 0.045 5.377 1.00 0.00 C ATOM 808 CD PRO A 59 15.866 0.510 5.260 1.00 0.00 C ATOM 0 HA PRO A 59 14.335 3.150 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.588 1.186 5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.499 0.937 3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.120 -0.072 6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.269 -0.921 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.461 0.191 6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.347 0.106 4.369 1.00 0.00 H new ATOM 816 N GLU A 60 14.082 3.355 7.269 1.00 0.00 N ATOM 817 CA GLU A 60 13.808 4.430 8.268 1.00 0.00 C ATOM 818 C GLU A 60 14.593 5.769 8.017 1.00 0.00 C ATOM 819 O GLU A 60 13.961 6.827 7.941 1.00 0.00 O ATOM 820 CB GLU A 60 14.036 3.825 9.682 1.00 0.00 C ATOM 821 CG GLU A 60 13.528 4.709 10.849 1.00 0.00 C ATOM 822 CD GLU A 60 13.736 4.083 12.226 1.00 0.00 C ATOM 823 OE1 GLU A 60 14.998 4.298 12.703 1.00 0.00 O ATOM 824 OE2 GLU A 60 12.864 3.460 12.824 1.00 0.00 O ATOM 0 H GLU A 60 14.596 2.562 7.654 1.00 0.00 H new ATOM 0 HA GLU A 60 12.771 4.752 8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.539 2.857 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.102 3.643 9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.041 5.670 10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.466 4.909 10.707 1.00 0.00 H new ATOM 831 N ALA A 61 15.938 5.740 7.876 1.00 0.00 N ATOM 832 CA ALA A 61 16.748 6.943 7.522 1.00 0.00 C ATOM 833 C ALA A 61 16.397 7.656 6.173 1.00 0.00 C ATOM 834 O ALA A 61 16.274 8.886 6.151 1.00 0.00 O ATOM 835 CB ALA A 61 18.229 6.523 7.583 1.00 0.00 C ATOM 0 H ALA A 61 16.494 4.894 8.002 1.00 0.00 H new ATOM 0 HA ALA A 61 16.506 7.718 8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.860 7.375 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.469 6.180 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.408 5.716 6.873 1.00 0.00 H new ATOM 841 N LEU A 62 16.180 6.900 5.077 1.00 0.00 N ATOM 842 CA LEU A 62 15.603 7.436 3.811 1.00 0.00 C ATOM 843 C LEU A 62 14.210 8.124 3.959 1.00 0.00 C ATOM 844 O LEU A 62 14.080 9.271 3.532 1.00 0.00 O ATOM 845 CB LEU A 62 15.556 6.309 2.737 1.00 0.00 C ATOM 846 CG LEU A 62 16.908 5.875 2.117 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.739 4.558 1.346 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.480 6.943 1.166 1.00 0.00 C ATOM 0 H LEU A 62 16.396 5.904 5.037 1.00 0.00 H new ATOM 0 HA LEU A 62 16.271 8.237 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.092 5.431 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.902 6.637 1.929 1.00 0.00 H new ATOM 0 HG LEU A 62 17.609 5.742 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.696 4.263 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.393 3.780 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.008 4.694 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.428 6.595 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.776 7.121 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.642 7.870 1.715 1.00 0.00 H new ATOM 860 N GLN A 63 13.186 7.486 4.567 1.00 0.00 N ATOM 861 CA GLN A 63 11.865 8.147 4.789 1.00 0.00 C ATOM 862 C GLN A 63 11.839 9.390 5.745 1.00 0.00 C ATOM 863 O GLN A 63 11.088 10.333 5.486 1.00 0.00 O ATOM 864 CB GLN A 63 10.777 7.086 5.086 1.00 0.00 C ATOM 865 CG GLN A 63 10.673 6.550 6.534 1.00 0.00 C ATOM 866 CD GLN A 63 9.582 5.493 6.696 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.406 5.802 6.861 1.00 0.00 O ATOM 868 NE2 GLN A 63 9.930 4.231 6.622 1.00 0.00 N ATOM 0 H GLN A 63 13.239 6.527 4.911 1.00 0.00 H new ATOM 0 HA GLN A 63 11.626 8.633 3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.811 7.511 4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.948 6.236 4.425 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.632 6.124 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.472 7.380 7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.909 3.979 6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.222 3.501 6.702 1.00 0.00 H new ATOM 877 N GLU A 64 12.674 9.436 6.800 1.00 0.00 N ATOM 878 CA GLU A 64 12.967 10.698 7.546 1.00 0.00 C ATOM 879 C GLU A 64 13.613 11.821 6.666 1.00 0.00 C ATOM 880 O GLU A 64 13.049 12.916 6.579 1.00 0.00 O ATOM 881 CB GLU A 64 13.819 10.392 8.813 1.00 0.00 C ATOM 882 CG GLU A 64 13.131 9.577 9.935 1.00 0.00 C ATOM 883 CD GLU A 64 11.938 10.261 10.602 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.310 11.053 11.645 1.00 0.00 O ATOM 885 OE2 GLU A 64 10.776 10.117 10.236 1.00 0.00 O ATOM 0 H GLU A 64 13.164 8.618 7.164 1.00 0.00 H new ATOM 0 HA GLU A 64 12.005 11.106 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.712 9.852 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.151 11.340 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.798 8.626 9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.872 9.347 10.701 1.00 0.00 H new ATOM 892 N PHE A 65 14.750 11.559 5.989 1.00 0.00 N ATOM 893 CA PHE A 65 15.359 12.518 5.019 1.00 0.00 C ATOM 894 C PHE A 65 14.451 12.951 3.815 1.00 0.00 C ATOM 895 O PHE A 65 14.420 14.133 3.477 1.00 0.00 O ATOM 896 CB PHE A 65 16.717 11.905 4.582 1.00 0.00 C ATOM 897 CG PHE A 65 17.633 12.838 3.771 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.327 13.872 4.410 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.781 12.663 2.391 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.140 14.729 3.674 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.603 13.518 1.661 1.00 0.00 C ATOM 902 CZ PHE A 65 19.274 14.556 2.299 1.00 0.00 C ATOM 0 H PHE A 65 15.274 10.690 6.091 1.00 0.00 H new ATOM 0 HA PHE A 65 15.500 13.475 5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.254 11.582 5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.519 11.012 3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.231 14.005 5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.256 11.863 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.668 15.530 4.170 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.720 13.375 0.597 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.898 15.227 1.728 1.00 0.00 H new ATOM 912 N LEU A 66 13.685 12.038 3.198 1.00 0.00 N ATOM 913 CA LEU A 66 12.643 12.405 2.194 1.00 0.00 C ATOM 914 C LEU A 66 11.341 13.074 2.756 1.00 0.00 C ATOM 915 O LEU A 66 10.633 13.710 1.976 1.00 0.00 O ATOM 916 CB LEU A 66 12.325 11.172 1.302 1.00 0.00 C ATOM 917 CG LEU A 66 13.508 10.531 0.524 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.046 9.258 -0.200 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.161 11.507 -0.466 1.00 0.00 C ATOM 0 H LEU A 66 13.759 11.035 3.369 1.00 0.00 H new ATOM 0 HA LEU A 66 13.083 13.204 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.881 10.403 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.565 11.466 0.578 1.00 0.00 H new ATOM 0 HG LEU A 66 14.269 10.269 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.886 8.821 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.671 8.540 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.252 9.508 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.981 11.008 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.420 11.836 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.546 12.371 0.075 1.00 0.00 H new ATOM 931 N THR A 67 11.030 13.001 4.067 1.00 0.00 N ATOM 932 CA THR A 67 10.017 13.884 4.722 1.00 0.00 C ATOM 933 C THR A 67 10.444 15.395 4.728 1.00 0.00 C ATOM 934 O THR A 67 9.683 16.232 4.238 1.00 0.00 O ATOM 935 CB THR A 67 9.686 13.335 6.147 1.00 0.00 C ATOM 936 OG1 THR A 67 9.277 11.972 6.103 1.00 0.00 O ATOM 937 CG2 THR A 67 8.536 14.067 6.847 1.00 0.00 C ATOM 0 H THR A 67 11.466 12.336 4.706 1.00 0.00 H new ATOM 0 HA THR A 67 9.102 13.859 4.130 1.00 0.00 H new ATOM 0 HB THR A 67 10.617 13.480 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.065 11.392 6.158 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.369 13.626 7.830 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.791 15.121 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.629 13.975 6.249 1.00 0.00 H new ATOM 945 N ASN A 68 11.636 15.744 5.257 1.00 0.00 N ATOM 946 CA ASN A 68 12.247 17.090 5.067 1.00 0.00 C ATOM 947 C ASN A 68 13.814 16.931 5.093 1.00 0.00 C ATOM 948 O ASN A 68 14.349 16.623 6.168 1.00 0.00 O ATOM 949 CB ASN A 68 11.705 18.086 6.129 1.00 0.00 C ATOM 950 CG ASN A 68 12.134 19.549 5.920 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.299 19.877 5.718 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.223 20.487 5.993 1.00 0.00 N ATOM 0 H ASN A 68 12.202 15.112 5.823 1.00 0.00 H new ATOM 0 HA ASN A 68 11.972 17.514 4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.616 18.038 6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.039 17.762 7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.489 21.466 5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.248 20.239 6.160 1.00 0.00 H new ATOM 959 N PRO A 69 14.594 17.142 3.989 1.00 0.00 N ATOM 960 CA PRO A 69 16.064 16.882 3.994 1.00 0.00 C ATOM 961 C PRO A 69 16.956 17.892 4.778 1.00 0.00 C ATOM 962 O PRO A 69 17.828 17.470 5.541 1.00 0.00 O ATOM 963 CB PRO A 69 16.378 16.773 2.491 1.00 0.00 C ATOM 964 CG PRO A 69 15.314 17.606 1.781 1.00 0.00 C ATOM 965 CD PRO A 69 14.061 17.461 2.647 1.00 0.00 C ATOM 0 HA PRO A 69 16.313 15.986 4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.378 17.148 2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.347 15.735 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.619 18.649 1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.139 17.244 0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.474 18.379 2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.409 16.670 2.277 1.00 0.00 H new ATOM 973 N LYS A 70 16.721 19.202 4.609 1.00 0.00 N ATOM 974 CA LYS A 70 17.399 20.275 5.399 1.00 0.00 C ATOM 975 C LYS A 70 17.058 20.345 6.929 1.00 0.00 C ATOM 976 O LYS A 70 17.927 20.742 7.710 1.00 0.00 O ATOM 977 CB LYS A 70 17.190 21.636 4.678 1.00 0.00 C ATOM 978 CG LYS A 70 17.953 21.783 3.337 1.00 0.00 C ATOM 979 CD LYS A 70 17.678 23.125 2.633 1.00 0.00 C ATOM 980 CE LYS A 70 18.481 23.261 1.330 1.00 0.00 C ATOM 981 NZ LYS A 70 18.148 24.530 0.655 1.00 0.00 N ATOM 0 H LYS A 70 16.057 19.562 3.923 1.00 0.00 H new ATOM 0 HA LYS A 70 18.456 20.009 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.125 21.773 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.502 22.438 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.023 21.688 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.671 20.966 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.613 23.209 2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.932 23.946 3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.549 23.226 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.262 22.422 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.697 24.610 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.132 24.548 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.379 25.327 1.281 1.00 0.00 H new ATOM 994 N ALA A 71 15.855 19.936 7.381 1.00 0.00 N ATOM 995 CA ALA A 71 15.598 19.634 8.818 1.00 0.00 C ATOM 996 C ALA A 71 16.363 18.401 9.409 1.00 0.00 C ATOM 997 O ALA A 71 16.889 18.500 10.520 1.00 0.00 O ATOM 998 CB ALA A 71 14.076 19.487 8.994 1.00 0.00 C ATOM 0 H ALA A 71 15.043 19.805 6.778 1.00 0.00 H new ATOM 0 HA ALA A 71 16.000 20.466 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.850 19.265 10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.585 20.417 8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.714 18.675 8.363 1.00 0.00 H new ATOM 1004 N VAL A 72 16.446 17.261 8.687 1.00 0.00 N ATOM 1005 CA VAL A 72 17.278 16.087 9.107 1.00 0.00 C ATOM 1006 C VAL A 72 18.821 16.380 9.025 1.00 0.00 C ATOM 1007 O VAL A 72 19.512 16.225 10.036 1.00 0.00 O ATOM 1008 CB VAL A 72 16.809 14.787 8.356 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.712 13.546 8.574 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.379 14.348 8.753 1.00 0.00 C ATOM 0 H VAL A 72 15.950 17.119 7.807 1.00 0.00 H new ATOM 0 HA VAL A 72 17.111 15.900 10.168 1.00 0.00 H new ATOM 0 HB VAL A 72 16.861 15.095 7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.309 12.700 8.017 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.721 13.764 8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.743 13.300 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.110 13.446 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.345 14.145 9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.674 15.144 8.512 1.00 0.00 H new ATOM 1020 N VAL A 73 19.361 16.784 7.858 1.00 0.00 N ATOM 1021 CA VAL A 73 20.791 17.193 7.726 1.00 0.00 C ATOM 1022 C VAL A 73 20.831 18.752 7.650 1.00 0.00 C ATOM 1023 O VAL A 73 20.607 19.344 6.588 1.00 0.00 O ATOM 1024 CB VAL A 73 21.489 16.490 6.511 1.00 0.00 C ATOM 1025 CG1 VAL A 73 22.975 16.894 6.360 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.462 14.948 6.596 1.00 0.00 C ATOM 0 H VAL A 73 18.834 16.839 6.986 1.00 0.00 H new ATOM 0 HA VAL A 73 21.365 16.867 8.593 1.00 0.00 H new ATOM 0 HB VAL A 73 20.907 16.828 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.407 16.377 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.046 17.971 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.520 16.619 7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 73 21.962 14.527 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 73 21.977 14.624 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.428 14.603 6.624 1.00 0.00 H new ATOM 1036 N LYS A 74 21.168 19.412 8.774 1.00 0.00 N ATOM 1037 CA LYS A 74 21.266 20.897 8.841 1.00 0.00 C ATOM 1038 C LYS A 74 22.492 21.433 8.024 1.00 0.00 C ATOM 1039 O LYS A 74 23.646 21.322 8.451 1.00 0.00 O ATOM 1040 CB LYS A 74 21.280 21.295 10.342 1.00 0.00 C ATOM 1041 CG LYS A 74 21.142 22.813 10.605 1.00 0.00 C ATOM 1042 CD LYS A 74 21.126 23.151 12.108 1.00 0.00 C ATOM 1043 CE LYS A 74 20.994 24.661 12.360 1.00 0.00 C ATOM 1044 NZ LYS A 74 21.000 24.930 13.812 1.00 0.00 N ATOM 0 H LYS A 74 21.379 18.945 9.656 1.00 0.00 H new ATOM 0 HA LYS A 74 20.406 21.370 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.467 20.776 10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.210 20.945 10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.968 23.338 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.224 23.177 10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.297 22.630 12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.043 22.785 12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.816 25.192 11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.071 25.033 11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.910 25.953 13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.202 24.436 14.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.892 24.590 14.224 1.00 0.00 H new ATOM 1057 N GLY A 75 22.215 21.971 6.825 1.00 0.00 N ATOM 1058 CA GLY A 75 23.274 22.328 5.839 1.00 0.00 C ATOM 1059 C GLY A 75 23.487 21.430 4.595 1.00 0.00 C ATOM 1060 O GLY A 75 24.476 21.657 3.893 1.00 0.00 O ATOM 0 H GLY A 75 21.268 22.172 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.063 23.336 5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.221 22.372 6.377 1.00 0.00 H new ATOM 1064 N THR A 76 22.614 20.455 4.273 1.00 0.00 N ATOM 1065 CA THR A 76 22.688 19.705 2.981 1.00 0.00 C ATOM 1066 C THR A 76 22.387 20.606 1.742 1.00 0.00 C ATOM 1067 O THR A 76 21.400 21.347 1.707 1.00 0.00 O ATOM 1068 CB THR A 76 21.801 18.419 2.995 1.00 0.00 C ATOM 1069 OG1 THR A 76 21.956 17.679 1.786 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.285 18.618 3.159 1.00 0.00 C ATOM 0 H THR A 76 21.849 20.161 4.880 1.00 0.00 H new ATOM 0 HA THR A 76 23.723 19.379 2.880 1.00 0.00 H new ATOM 0 HB THR A 76 22.168 17.905 3.884 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.393 16.878 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.788 17.648 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.084 19.122 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.907 19.225 2.337 1.00 0.00 H new ATOM 1078 N LYS A 77 23.214 20.478 0.694 1.00 0.00 N ATOM 1079 CA LYS A 77 22.949 21.140 -0.622 1.00 0.00 C ATOM 1080 C LYS A 77 21.800 20.553 -1.527 1.00 0.00 C ATOM 1081 O LYS A 77 21.644 20.991 -2.671 1.00 0.00 O ATOM 1082 CB LYS A 77 24.306 21.295 -1.365 1.00 0.00 C ATOM 1083 CG LYS A 77 25.014 19.995 -1.815 1.00 0.00 C ATOM 1084 CD LYS A 77 26.294 20.276 -2.619 1.00 0.00 C ATOM 1085 CE LYS A 77 27.021 18.978 -2.990 1.00 0.00 C ATOM 1086 NZ LYS A 77 28.212 19.287 -3.800 1.00 0.00 N ATOM 0 H LYS A 77 24.072 19.928 0.717 1.00 0.00 H new ATOM 0 HA LYS A 77 22.513 22.111 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 77 24.140 21.913 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.987 21.844 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.262 19.397 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.329 19.402 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.042 20.825 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.959 20.913 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.313 18.443 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.352 18.322 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 28.902 18.514 -3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 27.936 19.392 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.640 20.173 -3.464 1.00 0.00 H new ATOM 1099 N MET A 78 20.964 19.619 -1.030 1.00 0.00 N ATOM 1100 CA MET A 78 19.776 19.113 -1.760 1.00 0.00 C ATOM 1101 C MET A 78 18.591 20.131 -1.711 1.00 0.00 C ATOM 1102 O MET A 78 17.871 20.230 -0.711 1.00 0.00 O ATOM 1103 CB MET A 78 19.429 17.708 -1.193 1.00 0.00 C ATOM 1104 CG MET A 78 18.210 17.051 -1.871 1.00 0.00 C ATOM 1105 SD MET A 78 18.363 15.222 -1.965 1.00 0.00 S ATOM 1106 CE MET A 78 16.835 14.854 -1.032 1.00 0.00 C ATOM 0 H MET A 78 21.090 19.192 -0.112 1.00 0.00 H new ATOM 0 HA MET A 78 19.992 19.007 -2.823 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.294 17.055 -1.309 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.236 17.795 -0.124 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.307 17.310 -1.318 1.00 0.00 H new ATOM 0 HG3 MET A 78 18.095 17.456 -2.877 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.789 13.787 -0.816 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.836 15.414 -0.097 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.968 15.142 -1.626 1.00 0.00 H new ATOM 1116 N ALA A 79 18.362 20.847 -2.828 1.00 0.00 N ATOM 1117 CA ALA A 79 17.204 21.771 -2.969 1.00 0.00 C ATOM 1118 C ALA A 79 15.850 21.040 -3.274 1.00 0.00 C ATOM 1119 O ALA A 79 15.290 21.110 -4.373 1.00 0.00 O ATOM 1120 CB ALA A 79 17.619 22.812 -4.028 1.00 0.00 C ATOM 0 H ALA A 79 18.962 20.808 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 79 16.983 22.266 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.806 23.523 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.508 23.343 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.837 22.307 -4.969 1.00 0.00 H new ATOM 1126 N PHE A 80 15.327 20.345 -2.253 1.00 0.00 N ATOM 1127 CA PHE A 80 14.051 19.589 -2.322 1.00 0.00 C ATOM 1128 C PHE A 80 13.253 19.848 -1.006 1.00 0.00 C ATOM 1129 O PHE A 80 13.778 19.677 0.099 1.00 0.00 O ATOM 1130 CB PHE A 80 14.382 18.085 -2.558 1.00 0.00 C ATOM 1131 CG PHE A 80 13.164 17.165 -2.748 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.414 17.220 -3.928 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.758 16.309 -1.718 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.260 16.453 -4.064 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.607 15.538 -1.858 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.852 15.620 -3.025 1.00 0.00 C ATOM 0 H PHE A 80 15.779 20.287 -1.340 1.00 0.00 H new ATOM 0 HA PHE A 80 13.422 19.915 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 80 15.018 18.004 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.963 17.721 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.732 17.861 -4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.340 16.246 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.682 16.504 -4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.300 14.876 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.949 15.037 -3.125 1.00 0.00 H new ATOM 1146 N ALA A 81 11.968 20.228 -1.117 1.00 0.00 N ATOM 1147 CA ALA A 81 11.100 20.461 0.070 1.00 0.00 C ATOM 1148 C ALA A 81 10.719 19.182 0.891 1.00 0.00 C ATOM 1149 O ALA A 81 10.951 19.153 2.104 1.00 0.00 O ATOM 1150 CB ALA A 81 9.877 21.263 -0.417 1.00 0.00 C ATOM 0 H ALA A 81 11.501 20.382 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 81 11.668 21.028 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.211 21.457 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.209 22.210 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.345 20.690 -1.176 1.00 0.00 H new ATOM 1156 N GLY A 82 10.145 18.146 0.252 1.00 0.00 N ATOM 1157 CA GLY A 82 9.733 16.907 0.957 1.00 0.00 C ATOM 1158 C GLY A 82 8.570 16.126 0.307 1.00 0.00 C ATOM 1159 O GLY A 82 7.728 16.668 -0.414 1.00 0.00 O ATOM 0 H GLY A 82 9.954 18.137 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.597 16.246 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.447 17.168 1.976 1.00 0.00 H new ATOM 1163 N LEU A 83 8.502 14.833 0.641 1.00 0.00 N ATOM 1164 CA LEU A 83 7.342 13.956 0.332 1.00 0.00 C ATOM 1165 C LEU A 83 6.469 13.798 1.633 1.00 0.00 C ATOM 1166 O LEU A 83 6.858 13.002 2.500 1.00 0.00 O ATOM 1167 CB LEU A 83 7.858 12.578 -0.180 1.00 0.00 C ATOM 1168 CG LEU A 83 8.566 12.513 -1.557 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.122 11.099 -1.801 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.641 12.891 -2.727 1.00 0.00 C ATOM 0 H LEU A 83 9.251 14.351 1.138 1.00 0.00 H new ATOM 0 HA LEU A 83 6.724 14.394 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.550 12.186 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.007 11.898 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 83 9.373 13.244 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.617 11.065 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.839 10.850 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.304 10.379 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.194 12.826 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.794 12.205 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.278 13.910 -2.589 1.00 0.00 H new ATOM 1182 N PRO A 84 5.310 14.498 1.840 1.00 0.00 N ATOM 1183 CA PRO A 84 4.539 14.424 3.120 1.00 0.00 C ATOM 1184 C PRO A 84 3.787 13.089 3.442 1.00 0.00 C ATOM 1185 O PRO A 84 3.779 12.666 4.603 1.00 0.00 O ATOM 1186 CB PRO A 84 3.621 15.660 3.024 1.00 0.00 C ATOM 1187 CG PRO A 84 3.448 15.922 1.526 1.00 0.00 C ATOM 1188 CD PRO A 84 4.794 15.531 0.916 1.00 0.00 C ATOM 0 HA PRO A 84 5.213 14.426 3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.660 15.474 3.504 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.066 16.520 3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.635 15.327 1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.211 16.968 1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.677 15.142 -0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.468 16.385 0.853 1.00 0.00 H new ATOM 1196 N LYS A 85 3.204 12.407 2.441 1.00 0.00 N ATOM 1197 CA LYS A 85 2.578 11.069 2.622 1.00 0.00 C ATOM 1198 C LYS A 85 3.629 9.913 2.717 1.00 0.00 C ATOM 1199 O LYS A 85 4.531 9.789 1.879 1.00 0.00 O ATOM 1200 CB LYS A 85 1.609 10.801 1.437 1.00 0.00 C ATOM 1201 CG LYS A 85 0.269 11.579 1.465 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.709 11.149 0.349 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.349 11.696 -1.043 1.00 0.00 C ATOM 1204 NZ LYS A 85 -1.112 10.987 -2.090 1.00 0.00 N ATOM 0 H LYS A 85 3.149 12.758 1.485 1.00 0.00 H new ATOM 0 HA LYS A 85 2.039 11.083 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.127 11.042 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.386 9.734 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.208 11.432 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.474 12.645 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.737 10.060 0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.713 11.483 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.564 12.764 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.720 11.579 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.686 11.178 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.090 9.964 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.098 11.319 -2.086 1.00 0.00 H new ATOM 1217 N ILE A 86 3.446 9.010 3.700 1.00 0.00 N ATOM 1218 CA ILE A 86 4.200 7.717 3.777 1.00 0.00 C ATOM 1219 C ILE A 86 4.082 6.775 2.527 1.00 0.00 C ATOM 1220 O ILE A 86 5.104 6.220 2.123 1.00 0.00 O ATOM 1221 CB ILE A 86 3.932 6.987 5.141 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.944 5.821 5.361 1.00 0.00 C ATOM 1223 CG2 ILE A 86 2.464 6.513 5.315 1.00 0.00 C ATOM 1224 CD1 ILE A 86 4.982 5.187 6.758 1.00 0.00 C ATOM 0 H ILE A 86 2.781 9.142 4.462 1.00 0.00 H new ATOM 0 HA ILE A 86 5.252 8.001 3.748 1.00 0.00 H new ATOM 0 HB ILE A 86 4.092 7.732 5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.719 5.036 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.943 6.191 5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.354 6.018 6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.796 7.373 5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.210 5.815 4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.726 4.391 6.776 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.245 5.946 7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.002 4.773 6.997 1.00 0.00 H new ATOM 1236 N GLU A 87 2.894 6.612 1.908 1.00 0.00 N ATOM 1237 CA GLU A 87 2.731 5.861 0.627 1.00 0.00 C ATOM 1238 C GLU A 87 3.709 6.252 -0.531 1.00 0.00 C ATOM 1239 O GLU A 87 4.377 5.371 -1.066 1.00 0.00 O ATOM 1240 CB GLU A 87 1.237 5.845 0.186 1.00 0.00 C ATOM 1241 CG GLU A 87 0.536 7.216 -0.031 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.826 7.189 -0.721 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.689 6.298 -0.159 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.120 7.925 -1.659 1.00 0.00 O ATOM 0 H GLU A 87 2.020 6.992 2.272 1.00 0.00 H new ATOM 0 HA GLU A 87 3.040 4.841 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.167 5.281 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.671 5.293 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.415 7.694 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.202 7.849 -0.617 1.00 0.00 H new ATOM 1251 N ASP A 88 3.870 7.548 -0.853 1.00 0.00 N ATOM 1252 CA ASP A 88 4.913 8.035 -1.812 1.00 0.00 C ATOM 1253 C ASP A 88 6.391 7.693 -1.421 1.00 0.00 C ATOM 1254 O ASP A 88 7.147 7.219 -2.272 1.00 0.00 O ATOM 1255 CB ASP A 88 4.733 9.563 -2.030 1.00 0.00 C ATOM 1256 CG ASP A 88 3.485 9.973 -2.814 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.350 9.905 -2.065 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.504 10.323 -3.988 1.00 0.00 O ATOM 0 H ASP A 88 3.292 8.294 -0.466 1.00 0.00 H new ATOM 0 HA ASP A 88 4.750 7.489 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.705 10.051 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.611 9.944 -2.552 1.00 0.00 H new ATOM 1263 N ARG A 89 6.781 7.887 -0.147 1.00 0.00 N ATOM 1264 CA ARG A 89 8.099 7.436 0.389 1.00 0.00 C ATOM 1265 C ARG A 89 8.311 5.881 0.362 1.00 0.00 C ATOM 1266 O ARG A 89 9.293 5.413 -0.216 1.00 0.00 O ATOM 1267 CB ARG A 89 8.314 8.017 1.819 1.00 0.00 C ATOM 1268 CG ARG A 89 8.168 9.555 1.973 1.00 0.00 C ATOM 1269 CD ARG A 89 8.658 10.145 3.308 1.00 0.00 C ATOM 1270 NE ARG A 89 7.927 9.618 4.500 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.906 10.212 5.115 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.338 11.307 4.690 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.445 9.670 6.205 1.00 0.00 N ATOM 0 H ARG A 89 6.200 8.359 0.546 1.00 0.00 H new ATOM 0 HA ARG A 89 8.859 7.830 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.603 7.538 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.311 7.734 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.716 10.036 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.117 9.816 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.721 9.932 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.551 11.229 3.277 1.00 0.00 H new ATOM 0 HE ARG A 89 8.238 8.723 4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.673 11.758 3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.558 11.712 5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.865 8.813 6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.664 10.102 6.698 1.00 0.00 H new ATOM 1287 N ALA A 90 7.386 5.092 0.942 1.00 0.00 N ATOM 1288 CA ALA A 90 7.377 3.608 0.854 1.00 0.00 C ATOM 1289 C ALA A 90 7.326 2.984 -0.581 1.00 0.00 C ATOM 1290 O ALA A 90 8.114 2.080 -0.873 1.00 0.00 O ATOM 1291 CB ALA A 90 6.187 3.164 1.730 1.00 0.00 C ATOM 0 H ALA A 90 6.613 5.466 1.492 1.00 0.00 H new ATOM 0 HA ALA A 90 8.339 3.232 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.112 2.077 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.341 3.505 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.266 3.596 1.339 1.00 0.00 H new ATOM 1297 N ASN A 91 6.445 3.471 -1.481 1.00 0.00 N ATOM 1298 CA ASN A 91 6.465 3.113 -2.931 1.00 0.00 C ATOM 1299 C ASN A 91 7.820 3.417 -3.662 1.00 0.00 C ATOM 1300 O ASN A 91 8.386 2.528 -4.305 1.00 0.00 O ATOM 1301 CB ASN A 91 5.280 3.812 -3.662 1.00 0.00 C ATOM 1302 CG ASN A 91 3.852 3.378 -3.310 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.590 2.321 -2.752 1.00 0.00 O ATOM 1304 ND2 ASN A 91 2.866 4.174 -3.647 1.00 0.00 N ATOM 0 H ASN A 91 5.700 4.121 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 91 6.355 2.029 -2.975 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.358 4.883 -3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.417 3.666 -4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.903 3.907 -3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.062 5.060 -4.113 1.00 0.00 H new ATOM 1311 N LEU A 92 8.354 4.650 -3.534 1.00 0.00 N ATOM 1312 CA LEU A 92 9.729 5.003 -3.988 1.00 0.00 C ATOM 1313 C LEU A 92 10.898 4.150 -3.389 1.00 0.00 C ATOM 1314 O LEU A 92 11.753 3.696 -4.151 1.00 0.00 O ATOM 1315 CB LEU A 92 9.887 6.528 -3.746 1.00 0.00 C ATOM 1316 CG LEU A 92 11.188 7.192 -4.259 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.345 7.083 -5.782 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.201 8.669 -3.853 1.00 0.00 C ATOM 0 H LEU A 92 7.851 5.432 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 92 9.822 4.751 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.042 7.034 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.814 6.710 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 92 12.024 6.660 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.274 7.565 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.369 6.032 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.504 7.574 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.117 9.137 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.339 9.174 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.157 8.748 -2.767 1.00 0.00 H new ATOM 1330 N ILE A 93 10.927 3.891 -2.068 1.00 0.00 N ATOM 1331 CA ILE A 93 11.900 2.941 -1.438 1.00 0.00 C ATOM 1332 C ILE A 93 11.765 1.466 -1.975 1.00 0.00 C ATOM 1333 O ILE A 93 12.801 0.874 -2.279 1.00 0.00 O ATOM 1334 CB ILE A 93 11.893 3.110 0.127 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.369 4.527 0.588 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.753 2.049 0.864 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.945 4.933 2.010 1.00 0.00 C ATOM 0 H ILE A 93 10.288 4.324 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 93 12.908 3.207 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 93 10.847 2.971 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.457 4.565 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.984 5.267 -0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.704 2.224 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.372 1.053 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.788 2.125 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.325 5.930 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.857 4.935 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.352 4.222 2.728 1.00 0.00 H new ATOM 1349 N ALA A 94 10.556 0.891 -2.175 1.00 0.00 N ATOM 1350 CA ALA A 94 10.384 -0.361 -2.975 1.00 0.00 C ATOM 1351 C ALA A 94 10.934 -0.342 -4.445 1.00 0.00 C ATOM 1352 O ALA A 94 11.598 -1.298 -4.856 1.00 0.00 O ATOM 1353 CB ALA A 94 8.897 -0.754 -2.937 1.00 0.00 C ATOM 0 H ALA A 94 9.685 1.266 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 94 11.017 -1.110 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.747 -1.666 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.592 -0.924 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.297 0.049 -3.365 1.00 0.00 H new ATOM 1359 N TYR A 95 10.714 0.740 -5.220 1.00 0.00 N ATOM 1360 CA TYR A 95 11.437 0.981 -6.506 1.00 0.00 C ATOM 1361 C TYR A 95 13.001 1.057 -6.396 1.00 0.00 C ATOM 1362 O TYR A 95 13.690 0.390 -7.169 1.00 0.00 O ATOM 1363 CB TYR A 95 10.789 2.224 -7.176 1.00 0.00 C ATOM 1364 CG TYR A 95 11.337 2.604 -8.562 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.102 1.777 -9.665 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.089 3.773 -8.726 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.620 2.111 -10.913 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.595 4.109 -9.978 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.358 3.279 -11.071 1.00 0.00 C ATOM 1370 OH TYR A 95 12.823 3.613 -12.314 1.00 0.00 O ATOM 0 H TYR A 95 10.040 1.469 -4.984 1.00 0.00 H new ATOM 0 HA TYR A 95 11.315 0.105 -7.143 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.717 2.046 -7.267 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.915 3.078 -6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.517 0.877 -9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.277 4.416 -7.879 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.449 1.462 -11.759 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.172 5.014 -10.102 1.00 0.00 H new ATOM 0 HH TYR A 95 12.878 4.588 -12.391 1.00 0.00 H new ATOM 1380 N LEU A 96 13.556 1.826 -5.445 1.00 0.00 N ATOM 1381 CA LEU A 96 15.024 1.853 -5.168 1.00 0.00 C ATOM 1382 C LEU A 96 15.649 0.563 -4.518 1.00 0.00 C ATOM 1383 O LEU A 96 16.838 0.307 -4.712 1.00 0.00 O ATOM 1384 CB LEU A 96 15.327 3.151 -4.370 1.00 0.00 C ATOM 1385 CG LEU A 96 14.959 4.513 -5.036 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.268 5.684 -4.092 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.652 4.727 -6.394 1.00 0.00 C ATOM 0 H LEU A 96 13.014 2.447 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 96 15.532 1.856 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.800 3.090 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.393 3.165 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 96 13.887 4.478 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.003 6.623 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.689 5.574 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.331 5.687 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.355 5.692 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.733 4.708 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.359 3.933 -7.081 1.00 0.00 H new ATOM 1399 N GLU A 97 14.871 -0.281 -3.812 1.00 0.00 N ATOM 1400 CA GLU A 97 15.204 -1.724 -3.588 1.00 0.00 C ATOM 1401 C GLU A 97 15.303 -2.596 -4.891 1.00 0.00 C ATOM 1402 O GLU A 97 16.233 -3.398 -5.004 1.00 0.00 O ATOM 1403 CB GLU A 97 14.173 -2.349 -2.602 1.00 0.00 C ATOM 1404 CG GLU A 97 14.284 -1.882 -1.131 1.00 0.00 C ATOM 1405 CD GLU A 97 13.148 -2.366 -0.234 1.00 0.00 C ATOM 1406 OE1 GLU A 97 13.316 -3.666 0.150 1.00 0.00 O ATOM 1407 OE2 GLU A 97 12.201 -1.660 0.102 1.00 0.00 O ATOM 0 H GLU A 97 13.994 0.006 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 97 16.209 -1.733 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.170 -2.121 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.283 -3.433 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.231 -2.233 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.311 -0.793 -1.108 1.00 0.00 H new ATOM 1414 N GLY A 98 14.377 -2.448 -5.862 1.00 0.00 N ATOM 1415 CA GLY A 98 14.553 -3.003 -7.236 1.00 0.00 C ATOM 1416 C GLY A 98 15.728 -2.453 -8.088 1.00 0.00 C ATOM 1417 O GLY A 98 16.473 -3.240 -8.676 1.00 0.00 O ATOM 0 H GLY A 98 13.497 -1.950 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.678 -4.082 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.629 -2.832 -7.788 1.00 0.00 H new ATOM 1421 N GLN A 99 15.902 -1.122 -8.150 1.00 0.00 N ATOM 1422 CA GLN A 99 17.087 -0.481 -8.787 1.00 0.00 C ATOM 1423 C GLN A 99 18.362 -0.565 -7.880 1.00 0.00 C ATOM 1424 O GLN A 99 18.647 0.341 -7.086 1.00 0.00 O ATOM 1425 CB GLN A 99 16.728 0.993 -9.139 1.00 0.00 C ATOM 1426 CG GLN A 99 15.717 1.227 -10.296 1.00 0.00 C ATOM 1427 CD GLN A 99 16.105 0.853 -11.737 1.00 0.00 C ATOM 1428 OE1 GLN A 99 15.248 0.539 -12.555 1.00 0.00 O ATOM 1429 NE2 GLN A 99 17.356 0.899 -12.140 1.00 0.00 N ATOM 0 H GLN A 99 15.234 -0.454 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 99 17.335 -1.022 -9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.328 1.466 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.652 1.514 -9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.809 0.677 -10.051 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.459 2.286 -10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.094 1.157 -11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.588 0.677 -13.108 1.00 0.00 H new ATOM 1438 N GLN A 100 19.135 -1.654 -8.019 1.00 0.00 N ATOM 1439 CA GLN A 100 20.435 -1.828 -7.322 1.00 0.00 C ATOM 1440 C GLN A 100 21.472 -2.374 -8.334 1.00 0.00 C ATOM 1441 O GLN A 100 21.488 -3.595 -8.619 1.00 0.00 O ATOM 1442 CB GLN A 100 20.291 -2.686 -6.034 1.00 0.00 C ATOM 1443 CG GLN A 100 19.468 -2.047 -4.878 1.00 0.00 C ATOM 1444 CD GLN A 100 19.532 -2.823 -3.562 1.00 0.00 C ATOM 1445 OE1 GLN A 100 20.447 -2.668 -2.761 1.00 0.00 O ATOM 1446 NE2 GLN A 100 18.574 -3.672 -3.285 1.00 0.00 N ATOM 1447 OXT GLN A 100 22.282 -1.568 -8.853 1.00 0.00 O ATOM 0 H GLN A 100 18.883 -2.442 -8.615 1.00 0.00 H new ATOM 0 HA GLN A 100 20.799 -0.866 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.826 -3.635 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.289 -2.915 -5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.829 -1.033 -4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.427 -1.966 -5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.808 -3.809 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.594 -4.196 -2.410 1.00 0.00 H new