USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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: B 1 PHE N :NH3+ 176:sc= 0.602 (180deg=0) USER MOD Set 1.2: B 4 GLN : amide:sc= 0.522 K(o=1.1,f=-0.21) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.556 K(o=1.3,f=-1.2) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.736 K(o=1.3,f=-0.57) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0.821 K(o=0.82,f=-0.27) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 ASN : amide:sc= 0.49 K(o=0.49,f=-5!) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 9 SER OG : rot 160:sc= 0.786 USER MOD Single : B 10 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 30:sc= 0 USER MOD Single : B 27 THR OG1 : rot -28:sc= 0.255 USER MOD Single : B 29 LYS NZ :NH3+ 167:sc= 2.38 (180deg=2.16) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -8.028 -22.028 4.334 1.00 0.00 N ATOM 11 CA ILE A 2 -7.539 -20.934 3.468 1.00 0.00 C ATOM 12 C ILE A 2 -7.537 -19.564 4.151 1.00 0.00 C ATOM 13 O ILE A 2 -6.510 -18.891 4.142 1.00 0.00 O ATOM 14 CB ILE A 2 -8.268 -20.931 2.101 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.854 -19.769 1.162 1.00 0.00 C ATOM 16 CG2 ILE A 2 -9.801 -21.064 2.192 1.00 0.00 C ATOM 17 CD1 ILE A 2 -8.635 -18.448 1.271 1.00 0.00 C ATOM 0 HA ILE A 2 -6.487 -21.140 3.271 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.911 -21.849 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.801 -19.552 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.936 -20.123 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.227 -21.053 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.056 -22.002 2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.205 -20.231 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.236 -17.729 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.688 -18.629 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.536 -18.049 2.280 1.00 0.00 H new ATOM 29 N VAL A 3 -8.633 -19.142 4.791 1.00 0.00 N ATOM 30 CA VAL A 3 -8.677 -17.802 5.409 1.00 0.00 C ATOM 31 C VAL A 3 -7.748 -17.723 6.630 1.00 0.00 C ATOM 32 O VAL A 3 -7.071 -16.714 6.791 1.00 0.00 O ATOM 33 CB VAL A 3 -10.119 -17.350 5.706 1.00 0.00 C ATOM 34 CG1 VAL A 3 -10.192 -15.988 6.411 1.00 0.00 C ATOM 35 CG2 VAL A 3 -10.961 -17.294 4.425 1.00 0.00 C ATOM 0 H VAL A 3 -9.486 -19.691 4.896 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.292 -17.085 4.684 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.524 -18.101 6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.235 -15.727 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.661 -16.041 7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.732 -15.227 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.973 -16.972 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.514 -16.587 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.995 -18.283 3.969 1.00 0.00 H new ATOM 45 N GLU A 4 -7.605 -18.796 7.424 1.00 0.00 N ATOM 46 CA GLU A 4 -6.594 -18.866 8.503 1.00 0.00 C ATOM 47 C GLU A 4 -5.166 -18.704 7.955 1.00 0.00 C ATOM 48 O GLU A 4 -4.371 -17.951 8.519 1.00 0.00 O ATOM 49 CB GLU A 4 -6.676 -20.203 9.268 1.00 0.00 C ATOM 50 CG GLU A 4 -7.857 -20.305 10.255 1.00 0.00 C ATOM 51 CD GLU A 4 -8.688 -21.608 10.179 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.722 -21.696 10.884 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.374 -22.536 9.397 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.179 -19.635 7.342 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.816 -18.043 9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.751 -21.016 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.746 -20.350 9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.469 -20.203 11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.524 -19.460 10.082 1.00 0.00 H new ATOM 60 N GLN A 5 -4.856 -19.359 6.829 1.00 0.00 N ATOM 61 CA GLN A 5 -3.584 -19.204 6.117 1.00 0.00 C ATOM 62 C GLN A 5 -3.377 -17.754 5.638 1.00 0.00 C ATOM 63 O GLN A 5 -2.278 -17.223 5.794 1.00 0.00 O ATOM 64 CB GLN A 5 -3.528 -20.240 4.975 1.00 0.00 C ATOM 65 CG GLN A 5 -2.381 -20.064 3.968 1.00 0.00 C ATOM 66 CD GLN A 5 -0.982 -20.290 4.537 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.764 -20.970 5.532 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.031 -19.753 3.894 1.00 0.00 N ATOM 0 H GLN A 5 -5.491 -20.020 6.382 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.751 -19.400 6.792 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.450 -21.234 5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.472 -20.205 4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.536 -20.755 3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.431 -19.056 3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.136 -19.184 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.984 -19.905 4.225 1.00 0.00 H new ATOM 77 N CYS A 6 -4.410 -17.081 5.116 1.00 0.00 N ATOM 78 CA CYS A 6 -4.295 -15.687 4.665 1.00 0.00 C ATOM 79 C CYS A 6 -4.174 -14.684 5.830 1.00 0.00 C ATOM 80 O CYS A 6 -3.496 -13.667 5.687 1.00 0.00 O ATOM 81 CB CYS A 6 -5.461 -15.305 3.742 1.00 0.00 C ATOM 82 SG CYS A 6 -5.825 -16.426 2.359 1.00 0.00 S ATOM 0 H CYS A 6 -5.340 -17.482 4.995 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.365 -15.627 4.100 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.360 -15.217 4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.257 -14.316 3.331 1.00 0.00 H new ATOM 87 N CYS A 7 -4.773 -14.958 6.997 1.00 0.00 N ATOM 88 CA CYS A 7 -4.636 -14.112 8.192 1.00 0.00 C ATOM 89 C CYS A 7 -3.171 -13.998 8.677 1.00 0.00 C ATOM 90 O CYS A 7 -2.803 -12.975 9.259 1.00 0.00 O ATOM 91 CB CYS A 7 -5.508 -14.675 9.328 1.00 0.00 C ATOM 92 SG CYS A 7 -7.310 -14.694 9.083 1.00 0.00 S ATOM 0 H CYS A 7 -5.368 -15.774 7.140 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.967 -13.111 7.916 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.186 -15.698 9.522 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.298 -14.098 10.229 1.00 0.00 H new ATOM 97 N THR A 8 -2.335 -15.021 8.448 1.00 0.00 N ATOM 98 CA THR A 8 -0.939 -15.094 8.935 1.00 0.00 C ATOM 99 C THR A 8 0.129 -14.980 7.836 1.00 0.00 C ATOM 100 O THR A 8 1.204 -14.432 8.095 1.00 0.00 O ATOM 101 CB THR A 8 -0.705 -16.402 9.712 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.958 -17.526 8.894 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.596 -16.518 10.951 1.00 0.00 C ATOM 0 H THR A 8 -2.611 -15.841 7.908 1.00 0.00 H new ATOM 0 HA THR A 8 -0.824 -14.224 9.581 1.00 0.00 H new ATOM 0 HB THR A 8 0.339 -16.377 10.025 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.802 -18.346 9.407 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.389 -17.459 11.461 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.391 -15.687 11.626 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.643 -16.491 10.650 1.00 0.00 H new ATOM 111 N SER A 9 -0.149 -15.464 6.620 1.00 0.00 N ATOM 112 CA SER A 9 0.852 -15.773 5.582 1.00 0.00 C ATOM 113 C SER A 9 0.316 -15.574 4.148 1.00 0.00 C ATOM 114 O SER A 9 -0.808 -15.112 3.940 1.00 0.00 O ATOM 115 CB SER A 9 1.326 -17.226 5.780 1.00 0.00 C ATOM 116 OG SER A 9 2.078 -17.366 6.977 1.00 0.00 O ATOM 0 H SER A 9 -1.104 -15.659 6.318 1.00 0.00 H new ATOM 0 HA SER A 9 1.682 -15.075 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.463 -17.891 5.811 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.934 -17.532 4.928 1.00 0.00 H new ATOM 0 HG SER A 9 2.364 -18.298 7.077 1.00 0.00 H new ATOM 122 N ILE A 10 1.142 -15.888 3.140 1.00 0.00 N ATOM 123 CA ILE A 10 0.794 -15.806 1.709 1.00 0.00 C ATOM 124 C ILE A 10 -0.376 -16.726 1.300 1.00 0.00 C ATOM 125 O ILE A 10 -0.653 -17.741 1.945 1.00 0.00 O ATOM 126 CB ILE A 10 2.045 -16.001 0.812 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.011 -17.153 1.178 1.00 0.00 C ATOM 128 CG2 ILE A 10 2.851 -14.690 0.795 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.403 -18.556 1.091 1.00 0.00 C ATOM 0 H ILE A 10 2.095 -16.215 3.298 1.00 0.00 H new ATOM 0 HA ILE A 10 0.424 -14.794 1.544 1.00 0.00 H new ATOM 0 HB ILE A 10 1.633 -16.282 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.876 -17.106 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.376 -16.993 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.734 -14.814 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.231 -13.887 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.160 -14.439 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.155 -19.296 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.556 -18.629 1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.064 -18.743 0.072 1.00 0.00 H new ATOM 141 N CYS A 11 -1.059 -16.359 0.212 1.00 0.00 N ATOM 142 CA CYS A 11 -2.265 -17.005 -0.311 1.00 0.00 C ATOM 143 C CYS A 11 -2.339 -16.872 -1.843 1.00 0.00 C ATOM 144 O CYS A 11 -2.842 -15.877 -2.374 1.00 0.00 O ATOM 145 CB CYS A 11 -3.515 -16.403 0.357 1.00 0.00 C ATOM 146 SG CYS A 11 -4.055 -17.294 1.833 1.00 0.00 S ATOM 0 H CYS A 11 -0.771 -15.563 -0.356 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.223 -18.068 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.309 -15.367 0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.331 -16.389 -0.366 1.00 0.00 H new ATOM 151 N SER A 12 -1.860 -17.902 -2.544 1.00 0.00 N ATOM 152 CA SER A 12 -2.097 -18.127 -3.980 1.00 0.00 C ATOM 153 C SER A 12 -3.502 -18.696 -4.233 1.00 0.00 C ATOM 154 O SER A 12 -4.110 -19.293 -3.341 1.00 0.00 O ATOM 155 CB SER A 12 -1.046 -19.095 -4.544 1.00 0.00 C ATOM 156 OG SER A 12 0.264 -18.589 -4.337 1.00 0.00 O ATOM 0 H SER A 12 -1.279 -18.626 -2.120 1.00 0.00 H new ATOM 0 HA SER A 12 -2.018 -17.164 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.146 -20.068 -4.063 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.219 -19.247 -5.610 1.00 0.00 H new ATOM 0 HG SER A 12 0.920 -19.220 -4.701 1.00 0.00 H new ATOM 162 N LEU A 13 -4.012 -18.591 -5.466 1.00 0.00 N ATOM 163 CA LEU A 13 -5.333 -19.124 -5.852 1.00 0.00 C ATOM 164 C LEU A 13 -5.425 -20.663 -5.747 1.00 0.00 C ATOM 165 O LEU A 13 -6.522 -21.205 -5.628 1.00 0.00 O ATOM 166 CB LEU A 13 -5.717 -18.635 -7.263 1.00 0.00 C ATOM 167 CG LEU A 13 -6.173 -17.162 -7.344 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.028 -16.151 -7.233 1.00 0.00 C ATOM 169 CD2 LEU A 13 -6.878 -16.918 -8.679 1.00 0.00 C ATOM 0 H LEU A 13 -3.520 -18.132 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.053 -18.734 -5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.860 -18.771 -7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.518 -19.269 -7.645 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.836 -17.009 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.428 -15.139 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.521 -16.279 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.319 -16.314 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.200 -15.878 -8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.190 -17.130 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.747 -17.571 -8.756 1.00 0.00 H new ATOM 181 N TYR A 14 -4.293 -21.372 -5.684 1.00 0.00 N ATOM 182 CA TYR A 14 -4.248 -22.797 -5.335 1.00 0.00 C ATOM 183 C TYR A 14 -4.872 -23.091 -3.955 1.00 0.00 C ATOM 184 O TYR A 14 -5.549 -24.106 -3.791 1.00 0.00 O ATOM 185 CB TYR A 14 -2.789 -23.272 -5.395 1.00 0.00 C ATOM 186 CG TYR A 14 -2.597 -24.741 -5.063 1.00 0.00 C ATOM 187 CD1 TYR A 14 -2.096 -25.126 -3.802 1.00 0.00 C ATOM 188 CD2 TYR A 14 -2.933 -25.723 -6.015 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.926 -26.490 -3.495 1.00 0.00 C ATOM 190 CE2 TYR A 14 -2.766 -27.088 -5.711 1.00 0.00 C ATOM 191 CZ TYR A 14 -2.261 -27.476 -4.451 1.00 0.00 C ATOM 192 OH TYR A 14 -2.097 -28.798 -4.168 1.00 0.00 O ATOM 0 H TYR A 14 -3.375 -20.971 -5.875 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.850 -23.348 -6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.398 -23.083 -6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.196 -22.674 -4.703 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.842 -24.373 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.319 -25.429 -6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.540 -26.782 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.025 -27.839 -6.443 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.378 -29.335 -4.938 1.00 0.00 H new ATOM 202 N GLN A 15 -4.724 -22.186 -2.975 1.00 0.00 N ATOM 203 CA GLN A 15 -5.383 -22.315 -1.668 1.00 0.00 C ATOM 204 C GLN A 15 -6.896 -22.061 -1.726 1.00 0.00 C ATOM 205 O GLN A 15 -7.616 -22.589 -0.881 1.00 0.00 O ATOM 206 CB GLN A 15 -4.719 -21.407 -0.617 1.00 0.00 C ATOM 207 CG GLN A 15 -3.306 -21.870 -0.216 1.00 0.00 C ATOM 208 CD GLN A 15 -3.264 -23.198 0.551 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.266 -23.819 0.886 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.086 -23.693 0.863 1.00 0.00 N ATOM 0 H GLN A 15 -4.148 -21.349 -3.066 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.253 -23.354 -1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.663 -20.391 -1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.348 -21.372 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.700 -21.966 -1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.845 -21.096 0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.237 -23.195 0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.022 -24.574 1.372 1.00 0.00 H new ATOM 219 N LEU A 16 -7.408 -21.333 -2.730 1.00 0.00 N ATOM 220 CA LEU A 16 -8.850 -21.325 -3.002 1.00 0.00 C ATOM 221 C LEU A 16 -9.287 -22.713 -3.473 1.00 0.00 C ATOM 222 O LEU A 16 -10.122 -23.323 -2.820 1.00 0.00 O ATOM 223 CB LEU A 16 -9.266 -20.245 -4.018 1.00 0.00 C ATOM 224 CG LEU A 16 -8.930 -18.800 -3.617 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.300 -17.872 -4.771 1.00 0.00 C ATOM 226 CD2 LEU A 16 -9.704 -18.348 -2.378 1.00 0.00 C ATOM 0 H LEU A 16 -6.853 -20.751 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.358 -21.073 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.783 -20.461 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.341 -20.318 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.865 -18.760 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.066 -16.843 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.732 -18.151 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.366 -17.959 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.433 -17.321 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.774 -18.403 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.458 -18.998 -1.538 1.00 0.00 H new ATOM 238 N GLU A 17 -8.685 -23.267 -4.529 1.00 0.00 N ATOM 239 CA GLU A 17 -9.052 -24.595 -5.066 1.00 0.00 C ATOM 240 C GLU A 17 -8.875 -25.757 -4.063 1.00 0.00 C ATOM 241 O GLU A 17 -9.515 -26.801 -4.205 1.00 0.00 O ATOM 242 CB GLU A 17 -8.245 -24.881 -6.344 1.00 0.00 C ATOM 243 CG GLU A 17 -8.561 -23.928 -7.509 1.00 0.00 C ATOM 244 CD GLU A 17 -10.046 -23.927 -7.932 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.564 -22.856 -8.322 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.714 -24.989 -7.921 1.00 0.00 O1- ATOM 0 H GLU A 17 -7.928 -22.813 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.119 -24.547 -5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.182 -24.815 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.439 -25.905 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.274 -22.916 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.949 -24.204 -8.368 1.00 0.00 H new ATOM 253 N ASN A 18 -8.064 -25.572 -3.015 1.00 0.00 N ATOM 254 CA ASN A 18 -7.910 -26.507 -1.894 1.00 0.00 C ATOM 255 C ASN A 18 -9.214 -26.709 -1.075 1.00 0.00 C ATOM 256 O ASN A 18 -9.379 -27.752 -0.440 1.00 0.00 O ATOM 257 CB ASN A 18 -6.744 -25.982 -1.028 1.00 0.00 C ATOM 258 CG ASN A 18 -6.171 -26.983 -0.034 1.00 0.00 C ATOM 259 OD1 ASN A 18 -6.386 -28.187 -0.094 1.00 0.00 O ATOM 260 ND2 ASN A 18 -5.369 -26.516 0.896 1.00 0.00 N ATOM 0 H ASN A 18 -7.479 -24.742 -2.921 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.687 -27.503 -2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.943 -25.651 -1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.087 -25.105 -0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.932 -27.155 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.184 -25.515 0.954 1.00 0.00 H new ATOM 267 N TYR A 19 -10.159 -25.753 -1.116 1.00 0.00 N ATOM 268 CA TYR A 19 -11.433 -25.800 -0.367 1.00 0.00 C ATOM 269 C TYR A 19 -12.664 -25.350 -1.178 1.00 0.00 C ATOM 270 O TYR A 19 -13.745 -25.914 -1.023 1.00 0.00 O ATOM 271 CB TYR A 19 -11.308 -24.955 0.909 1.00 0.00 C ATOM 272 CG TYR A 19 -10.131 -25.317 1.797 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.202 -26.423 2.666 1.00 0.00 C ATOM 274 CD2 TYR A 19 -8.950 -24.555 1.730 1.00 0.00 C ATOM 275 CE1 TYR A 19 -9.099 -26.755 3.478 1.00 0.00 C ATOM 276 CE2 TYR A 19 -7.849 -24.875 2.547 1.00 0.00 C ATOM 277 CZ TYR A 19 -7.921 -25.977 3.423 1.00 0.00 C ATOM 278 OH TYR A 19 -6.866 -26.262 4.235 1.00 0.00 O ATOM 0 H TYR A 19 -10.059 -24.909 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.606 -26.849 -0.125 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.223 -23.906 0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.226 -25.056 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.103 -27.017 2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.888 -23.720 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.154 -27.605 4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.951 -24.277 2.503 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.140 -25.627 4.063 1.00 0.00 H new ATOM 288 N CYS A 20 -12.513 -24.369 -2.071 1.00 0.00 N ATOM 289 CA CYS A 20 -13.467 -24.008 -3.119 1.00 0.00 C ATOM 290 C CYS A 20 -13.500 -25.101 -4.212 1.00 0.00 C ATOM 291 O CYS A 20 -12.960 -24.927 -5.307 1.00 0.00 O ATOM 292 CB CYS A 20 -13.111 -22.620 -3.691 1.00 0.00 C ATOM 293 SG CYS A 20 -14.345 -22.009 -4.869 1.00 0.00 S ATOM 0 H CYS A 20 -11.682 -23.777 -2.082 1.00 0.00 H new ATOM 0 HA CYS A 20 -14.471 -23.945 -2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -13.014 -21.908 -2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.140 -22.673 -4.184 1.00 0.00 H new ATOM 298 N GLY A 21 -14.079 -26.264 -3.886 1.00 0.00 N ATOM 299 CA GLY A 21 -14.280 -27.387 -4.813 1.00 0.00 C ATOM 300 C GLY A 21 -15.383 -27.105 -5.830 1.00 0.00 C ATOM 301 O GLY A 21 -15.089 -27.169 -7.045 1.00 0.00 O ATOM 302 OXT GLY A 21 -16.520 -26.825 -5.389 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.429 -26.455 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.348 -27.593 -5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.531 -28.283 -4.246 1.00 0.00 H new ATOM 307 N PHE B 1 -7.579 -10.171 -3.614 1.00 0.00 N ATOM 308 CA PHE B 1 -7.325 -11.472 -2.939 1.00 0.00 C ATOM 309 C PHE B 1 -5.835 -11.817 -2.804 1.00 0.00 C ATOM 310 O PHE B 1 -5.350 -11.925 -1.679 1.00 0.00 O ATOM 311 CB PHE B 1 -8.100 -12.643 -3.579 1.00 0.00 C ATOM 312 CG PHE B 1 -7.640 -14.006 -3.079 1.00 0.00 C ATOM 313 CD1 PHE B 1 -6.951 -14.887 -3.938 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.795 -14.343 -1.721 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.414 -16.086 -3.436 1.00 0.00 C ATOM 316 CE2 PHE B 1 -7.261 -15.544 -1.222 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.572 -16.418 -2.080 1.00 0.00 C ATOM 0 H1 PHE B 1 -8.603 -10.035 -3.731 1.00 0.00 H new ATOM 0 H2 PHE B 1 -7.191 -9.398 -3.036 1.00 0.00 H new ATOM 0 H3 PHE B 1 -7.121 -10.169 -4.548 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.710 -11.331 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -9.163 -12.525 -3.369 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.982 -12.601 -4.662 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -6.836 -14.641 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -8.327 -13.676 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -5.879 -16.754 -4.095 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.380 -15.795 -0.178 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.165 -17.343 -1.698 1.00 0.00 H new ATOM 329 N VAL B 2 -5.118 -12.072 -3.909 1.00 0.00 N ATOM 330 CA VAL B 2 -3.830 -12.798 -3.884 1.00 0.00 C ATOM 331 C VAL B 2 -2.772 -12.143 -2.979 1.00 0.00 C ATOM 332 O VAL B 2 -2.517 -10.939 -3.060 1.00 0.00 O ATOM 333 CB VAL B 2 -3.326 -13.059 -5.320 1.00 0.00 C ATOM 334 CG1 VAL B 2 -2.943 -11.790 -6.093 1.00 0.00 C ATOM 335 CG2 VAL B 2 -2.131 -14.015 -5.346 1.00 0.00 C ATOM 0 H VAL B 2 -5.409 -11.784 -4.843 1.00 0.00 H new ATOM 0 HA VAL B 2 -4.015 -13.766 -3.419 1.00 0.00 H new ATOM 0 HB VAL B 2 -4.183 -13.511 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.600 -12.062 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.812 -11.137 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -2.145 -11.269 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.811 -14.169 -6.376 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -1.310 -13.587 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -2.420 -14.971 -4.909 1.00 0.00 H new ATOM 345 N ASN B 3 -2.164 -12.944 -2.099 1.00 0.00 N ATOM 346 CA ASN B 3 -1.066 -12.556 -1.198 1.00 0.00 C ATOM 347 C ASN B 3 -1.303 -11.268 -0.368 1.00 0.00 C ATOM 348 O ASN B 3 -0.376 -10.480 -0.160 1.00 0.00 O ATOM 349 CB ASN B 3 0.270 -12.581 -1.974 1.00 0.00 C ATOM 350 CG ASN B 3 0.612 -13.954 -2.525 1.00 0.00 C ATOM 351 OD1 ASN B 3 0.261 -14.978 -1.958 1.00 0.00 O ATOM 352 ND2 ASN B 3 1.307 -14.031 -3.636 1.00 0.00 N ATOM 0 H ASN B 3 -2.432 -13.922 -1.988 1.00 0.00 H new ATOM 0 HA ASN B 3 -1.020 -13.307 -0.409 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.219 -11.868 -2.797 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.073 -12.250 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.552 -14.943 -4.022 1.00 0.00 H new ATOM 0 HD22 ASN B 3 1.602 -13.179 -4.113 1.00 0.00 H new ATOM 359 N GLN B 4 -2.527 -11.060 0.135 1.00 0.00 N ATOM 360 CA GLN B 4 -2.852 -10.002 1.108 1.00 0.00 C ATOM 361 C GLN B 4 -3.683 -10.539 2.290 1.00 0.00 C ATOM 362 O GLN B 4 -4.413 -11.524 2.164 1.00 0.00 O ATOM 363 CB GLN B 4 -3.496 -8.792 0.404 1.00 0.00 C ATOM 364 CG GLN B 4 -4.942 -9.033 -0.083 1.00 0.00 C ATOM 365 CD GLN B 4 -5.233 -8.597 -1.523 1.00 0.00 C ATOM 366 OE1 GLN B 4 -6.308 -8.106 -1.837 1.00 0.00 O ATOM 367 NE2 GLN B 4 -4.354 -8.789 -2.483 1.00 0.00 N ATOM 0 H GLN B 4 -3.333 -11.629 -0.125 1.00 0.00 H new ATOM 0 HA GLN B 4 -1.921 -9.647 1.551 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.493 -7.944 1.089 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -2.879 -8.514 -0.451 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -5.166 -10.096 0.009 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -5.624 -8.505 0.583 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -3.444 -9.196 -2.267 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -4.583 -8.531 -3.443 1.00 0.00 H new ATOM 376 N HIS B 5 -3.546 -9.902 3.456 1.00 0.00 N ATOM 377 CA HIS B 5 -3.885 -10.492 4.761 1.00 0.00 C ATOM 378 C HIS B 5 -5.294 -10.164 5.290 1.00 0.00 C ATOM 379 O HIS B 5 -5.511 -10.114 6.504 1.00 0.00 O ATOM 380 CB HIS B 5 -2.768 -10.182 5.775 1.00 0.00 C ATOM 381 CG HIS B 5 -1.381 -10.526 5.279 1.00 0.00 C ATOM 382 ND1 HIS B 5 -0.589 -9.718 4.455 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.721 -11.698 5.511 1.00 0.00 C ATOM 384 CE1 HIS B 5 0.533 -10.420 4.219 1.00 0.00 C ATOM 385 NE2 HIS B 5 0.481 -11.610 4.843 1.00 0.00 N ATOM 0 H HIS B 5 -3.192 -8.948 3.525 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.939 -11.570 4.609 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -2.802 -9.122 6.026 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.962 -10.733 6.695 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -1.072 -12.531 6.102 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.359 -10.077 3.614 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.208 -12.326 4.825 1.00 0.00 H new ATOM 393 N LEU B 6 -6.265 -9.934 4.397 1.00 0.00 N ATOM 394 CA LEU B 6 -7.676 -9.744 4.765 1.00 0.00 C ATOM 395 C LEU B 6 -8.213 -11.023 5.445 1.00 0.00 C ATOM 396 O LEU B 6 -7.939 -12.136 4.993 1.00 0.00 O ATOM 397 CB LEU B 6 -8.462 -9.296 3.510 1.00 0.00 C ATOM 398 CG LEU B 6 -9.869 -8.681 3.693 1.00 0.00 C ATOM 399 CD1 LEU B 6 -10.979 -9.708 3.904 1.00 0.00 C ATOM 400 CD2 LEU B 6 -9.935 -7.640 4.812 1.00 0.00 C ATOM 0 H LEU B 6 -6.094 -9.874 3.393 1.00 0.00 H new ATOM 0 HA LEU B 6 -7.799 -8.951 5.503 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -7.849 -8.567 2.980 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -8.563 -10.163 2.857 1.00 0.00 H new ATOM 0 HG LEU B 6 -10.047 -8.186 2.738 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -11.933 -9.194 4.024 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -11.030 -10.371 3.040 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -10.768 -10.293 4.799 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -10.950 -7.249 4.886 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -9.655 -8.104 5.758 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -9.247 -6.824 4.591 1.00 0.00 H new ATOM 412 N CYS B 7 -8.918 -10.868 6.568 1.00 0.00 N ATOM 413 CA CYS B 7 -9.146 -11.933 7.552 1.00 0.00 C ATOM 414 C CYS B 7 -10.586 -11.920 8.115 1.00 0.00 C ATOM 415 O CYS B 7 -11.269 -10.892 8.081 1.00 0.00 O ATOM 416 CB CYS B 7 -8.063 -11.771 8.636 1.00 0.00 C ATOM 417 SG CYS B 7 -8.025 -13.003 9.964 1.00 0.00 S ATOM 0 H CYS B 7 -9.355 -9.983 6.825 1.00 0.00 H new ATOM 0 HA CYS B 7 -9.060 -12.915 7.087 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -7.090 -11.775 8.144 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -8.186 -10.788 9.091 1.00 0.00 H new ATOM 422 N GLY B 8 -11.053 -13.064 8.631 1.00 0.00 N ATOM 423 CA GLY B 8 -12.427 -13.260 9.121 1.00 0.00 C ATOM 424 C GLY B 8 -13.467 -13.437 8.005 1.00 0.00 C ATOM 425 O GLY B 8 -13.124 -13.571 6.826 1.00 0.00 O ATOM 0 H GLY B 8 -10.474 -13.899 8.722 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.450 -14.137 9.768 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.709 -12.404 9.734 1.00 0.00 H new ATOM 429 N SER B 9 -14.755 -13.434 8.367 1.00 0.00 N ATOM 430 CA SER B 9 -15.856 -13.766 7.442 1.00 0.00 C ATOM 431 C SER B 9 -16.042 -12.786 6.278 1.00 0.00 C ATOM 432 O SER B 9 -16.695 -13.136 5.298 1.00 0.00 O ATOM 433 CB SER B 9 -17.178 -13.950 8.194 1.00 0.00 C ATOM 434 OG SER B 9 -17.631 -12.736 8.779 1.00 0.00 O ATOM 0 H SER B 9 -15.068 -13.202 9.309 1.00 0.00 H new ATOM 0 HA SER B 9 -15.554 -14.710 6.988 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.936 -14.327 7.508 1.00 0.00 H new ATOM 0 HB3 SER B 9 -17.051 -14.702 8.972 1.00 0.00 H new ATOM 0 HG SER B 9 -18.591 -12.800 8.963 1.00 0.00 H new ATOM 440 N HIS B 10 -15.423 -11.601 6.303 1.00 0.00 N ATOM 441 CA HIS B 10 -15.372 -10.714 5.131 1.00 0.00 C ATOM 442 C HIS B 10 -14.642 -11.359 3.942 1.00 0.00 C ATOM 443 O HIS B 10 -15.052 -11.139 2.801 1.00 0.00 O ATOM 444 CB HIS B 10 -14.743 -9.366 5.514 1.00 0.00 C ATOM 445 CG HIS B 10 -15.558 -8.513 6.468 1.00 0.00 C ATOM 446 ND1 HIS B 10 -15.135 -7.290 6.999 1.00 0.00 N ATOM 447 CD2 HIS B 10 -16.834 -8.753 6.900 1.00 0.00 C ATOM 448 CE1 HIS B 10 -16.157 -6.829 7.742 1.00 0.00 C ATOM 449 NE2 HIS B 10 -17.188 -7.689 7.701 1.00 0.00 N ATOM 0 H HIS B 10 -14.947 -11.231 7.126 1.00 0.00 H new ATOM 0 HA HIS B 10 -16.396 -10.539 4.802 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -13.769 -9.554 5.965 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -14.568 -8.795 4.603 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -17.445 -9.610 6.660 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -16.150 -5.900 8.293 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -18.081 -7.574 8.181 1.00 0.00 H new ATOM 457 N LEU B 11 -13.634 -12.216 4.174 1.00 0.00 N ATOM 458 CA LEU B 11 -13.024 -13.008 3.096 1.00 0.00 C ATOM 459 C LEU B 11 -13.906 -14.198 2.667 1.00 0.00 C ATOM 460 O LEU B 11 -13.883 -14.575 1.500 1.00 0.00 O ATOM 461 CB LEU B 11 -11.588 -13.432 3.472 1.00 0.00 C ATOM 462 CG LEU B 11 -10.788 -14.074 2.313 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.797 -13.255 1.017 1.00 0.00 C ATOM 464 CD2 LEU B 11 -9.315 -14.227 2.696 1.00 0.00 C ATOM 0 H LEU B 11 -13.226 -12.377 5.095 1.00 0.00 H new ATOM 0 HA LEU B 11 -12.953 -12.369 2.216 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -11.046 -12.557 3.831 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.636 -14.139 4.300 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.283 -15.029 2.140 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -10.215 -13.773 0.255 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.823 -13.135 0.670 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.360 -12.274 1.203 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.769 -14.680 1.868 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.893 -13.247 2.916 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.232 -14.864 3.577 1.00 0.00 H new ATOM 476 N VAL B 12 -14.738 -14.750 3.560 1.00 0.00 N ATOM 477 CA VAL B 12 -15.753 -15.767 3.202 1.00 0.00 C ATOM 478 C VAL B 12 -16.856 -15.165 2.323 1.00 0.00 C ATOM 479 O VAL B 12 -17.263 -15.774 1.339 1.00 0.00 O ATOM 480 CB VAL B 12 -16.364 -16.440 4.449 1.00 0.00 C ATOM 481 CG1 VAL B 12 -17.421 -17.493 4.092 1.00 0.00 C ATOM 482 CG2 VAL B 12 -15.283 -17.141 5.275 1.00 0.00 C ATOM 0 H VAL B 12 -14.732 -14.509 4.551 1.00 0.00 H new ATOM 0 HA VAL B 12 -15.237 -16.539 2.630 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.833 -15.637 5.017 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -17.818 -17.935 5.006 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -18.231 -17.021 3.536 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -16.966 -18.272 3.480 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -15.738 -17.608 6.149 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -14.798 -17.905 4.667 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.542 -16.411 5.599 1.00 0.00 H new ATOM 492 N GLU B 13 -17.304 -13.944 2.617 1.00 0.00 N ATOM 493 CA GLU B 13 -18.243 -13.200 1.766 1.00 0.00 C ATOM 494 C GLU B 13 -17.615 -12.849 0.403 1.00 0.00 C ATOM 495 O GLU B 13 -18.257 -13.021 -0.636 1.00 0.00 O ATOM 496 CB GLU B 13 -18.717 -11.930 2.492 1.00 0.00 C ATOM 497 CG GLU B 13 -19.635 -12.245 3.686 1.00 0.00 C ATOM 498 CD GLU B 13 -19.908 -11.006 4.566 1.00 0.00 C ATOM 499 OE1 GLU B 13 -20.097 -9.888 4.027 1.00 0.00 O ATOM 500 OE2 GLU B 13 -19.965 -11.147 5.812 1.00 0.00 O1- ATOM 0 H GLU B 13 -17.026 -13.437 3.457 1.00 0.00 H new ATOM 0 HA GLU B 13 -19.105 -13.839 1.571 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -17.850 -11.370 2.842 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -19.248 -11.289 1.788 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.582 -12.641 3.318 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -19.179 -13.025 4.295 1.00 0.00 H new ATOM 507 N ALA B 14 -16.345 -12.425 0.385 1.00 0.00 N ATOM 508 CA ALA B 14 -15.604 -12.151 -0.848 1.00 0.00 C ATOM 509 C ALA B 14 -15.270 -13.416 -1.667 1.00 0.00 C ATOM 510 O ALA B 14 -15.164 -13.330 -2.885 1.00 0.00 O ATOM 511 CB ALA B 14 -14.339 -11.363 -0.494 1.00 0.00 C ATOM 0 H ALA B 14 -15.801 -12.262 1.232 1.00 0.00 H new ATOM 0 HA ALA B 14 -16.248 -11.560 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.776 -11.151 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.617 -10.425 -0.013 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -13.722 -11.951 0.186 1.00 0.00 H new ATOM 517 N LEU B 15 -15.157 -14.599 -1.055 1.00 0.00 N ATOM 518 CA LEU B 15 -14.927 -15.890 -1.728 1.00 0.00 C ATOM 519 C LEU B 15 -16.038 -16.212 -2.756 1.00 0.00 C ATOM 520 O LEU B 15 -15.733 -16.670 -3.861 1.00 0.00 O ATOM 521 CB LEU B 15 -14.665 -16.931 -0.606 1.00 0.00 C ATOM 522 CG LEU B 15 -14.852 -18.449 -0.788 1.00 0.00 C ATOM 523 CD1 LEU B 15 -16.317 -18.877 -0.726 1.00 0.00 C ATOM 524 CD2 LEU B 15 -14.195 -19.020 -2.038 1.00 0.00 C ATOM 0 H LEU B 15 -15.225 -14.692 -0.042 1.00 0.00 H new ATOM 0 HA LEU B 15 -14.047 -15.887 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -13.632 -16.786 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.299 -16.643 0.233 1.00 0.00 H new ATOM 0 HG LEU B 15 -14.327 -18.876 0.067 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -16.387 -19.956 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -16.735 -18.604 0.243 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -16.876 -18.376 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -14.377 -20.094 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.616 -18.541 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -13.121 -18.835 -2.002 1.00 0.00 H new ATOM 536 N TYR B 16 -17.294 -15.836 -2.485 1.00 0.00 N ATOM 537 CA TYR B 16 -18.407 -15.906 -3.452 1.00 0.00 C ATOM 538 C TYR B 16 -18.309 -14.910 -4.629 1.00 0.00 C ATOM 539 O TYR B 16 -19.084 -15.017 -5.580 1.00 0.00 O ATOM 540 CB TYR B 16 -19.751 -15.775 -2.717 1.00 0.00 C ATOM 541 CG TYR B 16 -20.055 -16.938 -1.789 1.00 0.00 C ATOM 542 CD1 TYR B 16 -20.616 -18.123 -2.307 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.753 -16.850 -0.418 1.00 0.00 C ATOM 544 CE1 TYR B 16 -20.838 -19.230 -1.465 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.971 -17.954 0.429 1.00 0.00 C ATOM 546 CZ TYR B 16 -20.507 -19.151 -0.093 1.00 0.00 C ATOM 547 OH TYR B 16 -20.708 -20.218 0.729 1.00 0.00 O ATOM 0 H TYR B 16 -17.574 -15.469 -1.576 1.00 0.00 H new ATOM 0 HA TYR B 16 -18.335 -16.887 -3.921 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.750 -14.851 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.551 -15.690 -3.453 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -20.877 -18.182 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -19.352 -15.932 -0.013 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -21.261 -20.139 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -19.728 -17.885 1.479 1.00 0.00 H new ATOM 0 HH TYR B 16 -20.424 -19.988 1.638 1.00 0.00 H new ATOM 557 N LEU B 17 -17.352 -13.976 -4.606 1.00 0.00 N ATOM 558 CA LEU B 17 -16.998 -13.087 -5.724 1.00 0.00 C ATOM 559 C LEU B 17 -15.681 -13.519 -6.403 1.00 0.00 C ATOM 560 O LEU B 17 -15.586 -13.527 -7.631 1.00 0.00 O ATOM 561 CB LEU B 17 -16.895 -11.632 -5.217 1.00 0.00 C ATOM 562 CG LEU B 17 -18.102 -11.108 -4.414 1.00 0.00 C ATOM 563 CD1 LEU B 17 -17.816 -9.689 -3.921 1.00 0.00 C ATOM 564 CD2 LEU B 17 -19.385 -11.079 -5.246 1.00 0.00 C ATOM 0 H LEU B 17 -16.780 -13.810 -3.778 1.00 0.00 H new ATOM 0 HA LEU B 17 -17.785 -13.154 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -16.005 -11.548 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -16.745 -10.979 -6.077 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.250 -11.792 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -18.671 -9.322 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -16.933 -9.697 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -17.640 -9.036 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -20.206 -10.703 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -19.245 -10.427 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -19.620 -12.087 -5.588 1.00 0.00 H new ATOM 576 N VAL B 18 -14.672 -13.886 -5.604 1.00 0.00 N ATOM 577 CA VAL B 18 -13.300 -14.211 -6.032 1.00 0.00 C ATOM 578 C VAL B 18 -13.210 -15.592 -6.691 1.00 0.00 C ATOM 579 O VAL B 18 -12.706 -15.694 -7.811 1.00 0.00 O ATOM 580 CB VAL B 18 -12.327 -14.093 -4.837 1.00 0.00 C ATOM 581 CG1 VAL B 18 -10.908 -14.571 -5.164 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.209 -12.638 -4.359 1.00 0.00 C ATOM 0 H VAL B 18 -14.792 -13.969 -4.595 1.00 0.00 H new ATOM 0 HA VAL B 18 -13.009 -13.486 -6.792 1.00 0.00 H new ATOM 0 HB VAL B 18 -12.754 -14.733 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.275 -14.462 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -10.937 -15.619 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -10.501 -13.973 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -11.518 -12.586 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.836 -12.017 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.189 -12.277 -4.046 1.00 0.00 H new ATOM 592 N CYS B 19 -13.707 -16.649 -6.035 1.00 0.00 N ATOM 593 CA CYS B 19 -13.814 -17.976 -6.656 1.00 0.00 C ATOM 594 C CYS B 19 -15.025 -18.011 -7.615 1.00 0.00 C ATOM 595 O CYS B 19 -14.909 -18.435 -8.765 1.00 0.00 O ATOM 596 CB CYS B 19 -13.874 -19.060 -5.569 1.00 0.00 C ATOM 597 SG CYS B 19 -13.434 -20.719 -6.158 1.00 0.00 S ATOM 0 H CYS B 19 -14.042 -16.611 -5.072 1.00 0.00 H new ATOM 0 HA CYS B 19 -12.929 -18.183 -7.258 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.202 -18.784 -4.757 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.881 -19.088 -5.153 1.00 0.00 H new ATOM 602 N GLY B 20 -16.154 -17.439 -7.176 1.00 0.00 N ATOM 603 CA GLY B 20 -17.241 -16.922 -8.022 1.00 0.00 C ATOM 604 C GLY B 20 -18.189 -17.939 -8.679 1.00 0.00 C ATOM 605 O GLY B 20 -19.400 -17.881 -8.465 1.00 0.00 O ATOM 0 H GLY B 20 -16.344 -17.318 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -17.844 -16.247 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -16.792 -16.323 -8.815 1.00 0.00 H new ATOM 609 N GLU B 21 -17.669 -18.824 -9.530 1.00 0.00 N ATOM 610 CA GLU B 21 -18.449 -19.493 -10.591 1.00 0.00 C ATOM 611 C GLU B 21 -19.385 -20.628 -10.121 1.00 0.00 C ATOM 612 O GLU B 21 -20.593 -20.584 -10.372 1.00 0.00 O ATOM 613 CB GLU B 21 -17.555 -19.964 -11.770 1.00 0.00 C ATOM 614 CG GLU B 21 -16.021 -19.849 -11.649 1.00 0.00 C ATOM 615 CD GLU B 21 -15.375 -20.868 -10.687 1.00 0.00 C ATOM 616 OE1 GLU B 21 -14.164 -21.159 -10.826 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.064 -21.424 -9.803 1.00 0.00 O1- ATOM 0 H GLU B 21 -16.688 -19.104 -9.509 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.117 -18.708 -10.944 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -17.791 -21.011 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -17.857 -19.402 -12.654 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -15.581 -19.974 -12.638 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -15.770 -18.843 -11.313 1.00 0.00 H new ATOM 624 N ARG B 22 -18.833 -21.669 -9.485 1.00 0.00 N ATOM 625 CA ARG B 22 -19.495 -22.970 -9.254 1.00 0.00 C ATOM 626 C ARG B 22 -20.641 -22.954 -8.234 1.00 0.00 C ATOM 627 O ARG B 22 -21.662 -23.607 -8.460 1.00 0.00 O ATOM 628 CB ARG B 22 -18.424 -23.981 -8.802 1.00 0.00 C ATOM 629 CG ARG B 22 -17.586 -24.547 -9.958 1.00 0.00 C ATOM 630 CD ARG B 22 -16.253 -25.109 -9.439 1.00 0.00 C ATOM 631 NE ARG B 22 -15.276 -24.027 -9.242 1.00 0.00 N ATOM 632 CZ ARG B 22 -14.023 -24.115 -8.847 1.00 0.00 C ATOM 633 NH1 ARG B 22 -13.507 -25.185 -8.321 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.251 -23.087 -9.007 1.00 0.00 N ATOM 0 H ARG B 22 -17.887 -21.634 -9.104 1.00 0.00 H new ATOM 0 HA ARG B 22 -19.962 -23.246 -10.199 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.760 -23.498 -8.085 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.911 -24.805 -8.280 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -18.144 -25.333 -10.467 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.395 -23.764 -10.692 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -16.416 -25.635 -8.498 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.859 -25.838 -10.148 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.614 -23.084 -9.437 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -14.081 -26.019 -8.195 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.528 -25.191 -8.034 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.618 -22.235 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.276 -23.130 -8.709 1.00 0.00 H new ATOM 648 N GLY B 23 -20.458 -22.270 -7.101 1.00 0.00 N ATOM 649 CA GLY B 23 -21.142 -22.601 -5.842 1.00 0.00 C ATOM 650 C GLY B 23 -20.524 -23.870 -5.230 1.00 0.00 C ATOM 651 O GLY B 23 -20.566 -24.947 -5.829 1.00 0.00 O ATOM 0 H GLY B 23 -19.831 -21.469 -7.028 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.056 -21.770 -5.142 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -22.205 -22.755 -6.025 1.00 0.00 H new ATOM 655 N PHE B 24 -19.856 -23.724 -4.084 1.00 0.00 N ATOM 656 CA PHE B 24 -18.630 -24.490 -3.804 1.00 0.00 C ATOM 657 C PHE B 24 -18.768 -25.564 -2.716 1.00 0.00 C ATOM 658 O PHE B 24 -19.578 -25.439 -1.795 1.00 0.00 O ATOM 659 CB PHE B 24 -17.497 -23.516 -3.438 1.00 0.00 C ATOM 660 CG PHE B 24 -17.596 -22.150 -4.094 1.00 0.00 C ATOM 661 CD1 PHE B 24 -17.901 -21.023 -3.312 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.447 -22.015 -5.487 1.00 0.00 C ATOM 663 CE1 PHE B 24 -18.061 -19.771 -3.923 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.601 -20.758 -6.098 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.927 -19.637 -5.314 1.00 0.00 C ATOM 0 H PHE B 24 -20.137 -23.089 -3.337 1.00 0.00 H new ATOM 0 HA PHE B 24 -18.405 -25.039 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.485 -23.384 -2.356 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -16.544 -23.968 -3.714 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -18.012 -21.121 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.213 -22.881 -6.089 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -18.289 -18.905 -3.320 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.469 -20.654 -7.165 1.00 0.00 H new ATOM 0 HZ PHE B 24 -18.074 -18.674 -5.781 1.00 0.00 H new ATOM 675 N PHE B 25 -17.882 -26.563 -2.751 1.00 0.00 N ATOM 676 CA PHE B 25 -17.681 -27.563 -1.687 1.00 0.00 C ATOM 677 C PHE B 25 -16.924 -27.004 -0.449 1.00 0.00 C ATOM 678 O PHE B 25 -16.135 -27.705 0.187 1.00 0.00 O ATOM 679 CB PHE B 25 -17.008 -28.798 -2.317 1.00 0.00 C ATOM 680 CG PHE B 25 -16.995 -30.055 -1.461 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.192 -30.757 -1.221 1.00 0.00 C ATOM 682 CD2 PHE B 25 -15.786 -30.538 -0.919 1.00 0.00 C ATOM 683 CE1 PHE B 25 -18.183 -31.925 -0.436 1.00 0.00 C ATOM 684 CE2 PHE B 25 -15.778 -31.703 -0.131 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.976 -32.397 0.110 1.00 0.00 C ATOM 0 H PHE B 25 -17.261 -26.707 -3.547 1.00 0.00 H new ATOM 0 HA PHE B 25 -18.648 -27.854 -1.276 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -17.515 -29.025 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -15.979 -28.540 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.120 -30.398 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.863 -30.011 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -19.104 -32.459 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.851 -32.064 0.289 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.970 -33.292 0.714 1.00 0.00 H new ATOM 695 N TYR B 26 -17.120 -25.724 -0.106 1.00 0.00 N ATOM 696 CA TYR B 26 -16.396 -25.047 0.979 1.00 0.00 C ATOM 697 C TYR B 26 -16.710 -25.675 2.352 1.00 0.00 C ATOM 698 O TYR B 26 -17.876 -25.882 2.701 1.00 0.00 O ATOM 699 CB TYR B 26 -16.681 -23.539 0.934 1.00 0.00 C ATOM 700 CG TYR B 26 -15.835 -22.724 1.894 1.00 0.00 C ATOM 701 CD1 TYR B 26 -14.443 -22.637 1.693 1.00 0.00 C ATOM 702 CD2 TYR B 26 -16.433 -22.046 2.975 1.00 0.00 C ATOM 703 CE1 TYR B 26 -13.646 -21.889 2.581 1.00 0.00 C ATOM 704 CE2 TYR B 26 -15.639 -21.288 3.857 1.00 0.00 C ATOM 705 CZ TYR B 26 -14.244 -21.213 3.668 1.00 0.00 C ATOM 706 OH TYR B 26 -13.482 -20.489 4.531 1.00 0.00 O ATOM 0 H TYR B 26 -17.794 -25.122 -0.580 1.00 0.00 H new ATOM 0 HA TYR B 26 -15.325 -25.186 0.830 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -16.512 -23.177 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -17.734 -23.371 1.161 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -13.986 -23.145 0.856 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -17.500 -22.108 3.127 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -12.578 -21.832 2.431 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -16.100 -20.763 4.680 1.00 0.00 H new ATOM 0 HH TYR B 26 -12.700 -20.135 4.059 1.00 0.00 H new ATOM 716 N THR B 27 -15.662 -26.033 3.106 1.00 0.00 N ATOM 717 CA THR B 27 -15.735 -27.029 4.197 1.00 0.00 C ATOM 718 C THR B 27 -14.759 -26.898 5.404 1.00 0.00 C ATOM 719 O THR B 27 -14.976 -27.620 6.383 1.00 0.00 O ATOM 720 CB THR B 27 -15.639 -28.431 3.548 1.00 0.00 C ATOM 721 OG1 THR B 27 -16.055 -29.459 4.422 1.00 0.00 O ATOM 722 CG2 THR B 27 -14.228 -28.775 3.057 1.00 0.00 C ATOM 0 H THR B 27 -14.730 -25.639 2.979 1.00 0.00 H new ATOM 0 HA THR B 27 -16.688 -26.838 4.690 1.00 0.00 H new ATOM 0 HB THR B 27 -16.311 -28.375 2.692 1.00 0.00 H new ATOM 0 HG1 THR B 27 -15.902 -29.182 5.349 1.00 0.00 H new ATOM 0 HG21 THR B 27 -14.230 -29.770 2.613 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.915 -28.045 2.310 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.535 -28.754 3.898 1.00 0.00 H new ATOM 730 N PRO B 28 -13.705 -26.038 5.447 1.00 0.00 N ATOM 731 CA PRO B 28 -12.757 -25.985 6.576 1.00 0.00 C ATOM 732 C PRO B 28 -13.340 -25.228 7.789 1.00 0.00 C ATOM 733 O PRO B 28 -12.870 -24.146 8.157 1.00 0.00 O ATOM 734 CB PRO B 28 -11.497 -25.331 5.996 1.00 0.00 C ATOM 735 CG PRO B 28 -12.072 -24.327 5.001 1.00 0.00 C ATOM 736 CD PRO B 28 -13.285 -25.069 4.439 1.00 0.00 C ATOM 0 HA PRO B 28 -12.534 -26.973 6.978 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.902 -24.842 6.767 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -10.850 -26.060 5.508 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -12.357 -23.394 5.486 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -11.355 -24.074 4.220 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -14.093 -24.372 4.216 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -13.030 -25.571 3.506 1.00 0.00 H new ATOM 744 N LYS B 29 -14.398 -25.783 8.398 1.00 0.00 N ATOM 745 CA LYS B 29 -15.452 -25.032 9.111 1.00 0.00 C ATOM 746 C LYS B 29 -16.061 -23.960 8.178 1.00 0.00 C ATOM 747 O LYS B 29 -15.919 -24.042 6.954 1.00 0.00 O ATOM 748 CB LYS B 29 -14.945 -24.473 10.467 1.00 0.00 C ATOM 749 CG LYS B 29 -14.329 -25.505 11.435 1.00 0.00 C ATOM 750 CD LYS B 29 -12.809 -25.731 11.319 1.00 0.00 C ATOM 751 CE LYS B 29 -11.991 -24.463 11.622 1.00 0.00 C ATOM 752 NZ LYS B 29 -11.184 -24.018 10.457 1.00 0.00 N1+ ATOM 0 H LYS B 29 -14.552 -26.791 8.411 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.260 -25.714 9.376 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.200 -23.704 10.265 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.779 -23.984 10.971 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.551 -25.192 12.455 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.829 -26.461 11.279 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.511 -26.523 12.006 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -12.574 -26.077 10.313 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.666 -23.661 11.920 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.330 -24.654 12.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.828 -23.056 10.628 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.381 -24.665 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.777 -24.021 9.603 1.00 0.00 H new ATOM 766 N THR B 30 -16.712 -22.943 8.740 1.00 0.00 N ATOM 767 CA THR B 30 -16.941 -21.653 8.063 1.00 0.00 C ATOM 768 C THR B 30 -16.160 -20.578 8.816 1.00 0.00 C ATOM 769 O THR B 30 -16.263 -20.477 10.041 1.00 0.00 O ATOM 770 CB THR B 30 -18.436 -21.311 7.952 1.00 0.00 C ATOM 771 OG1 THR B 30 -19.115 -22.350 7.276 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.670 -20.029 7.147 1.00 0.00 C ATOM 0 H THR B 30 -17.100 -22.984 9.682 1.00 0.00 H new ATOM 0 HA THR B 30 -16.584 -21.713 7.035 1.00 0.00 H new ATOM 0 HB THR B 30 -18.806 -21.179 8.969 1.00 0.00 H new ATOM 0 HG1 THR B 30 -20.067 -22.129 7.209 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.739 -19.824 7.093 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.165 -19.196 7.635 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.273 -20.154 6.140 1.00 0.00 H new ATOM 780 N ARG B 31 -15.325 -19.810 8.107 1.00 0.00 N ATOM 781 CA ARG B 31 -14.305 -18.929 8.701 1.00 0.00 C ATOM 782 C ARG B 31 -14.873 -17.629 9.298 1.00 0.00 C ATOM 783 O ARG B 31 -14.798 -16.560 8.695 1.00 0.00 O ATOM 784 CB ARG B 31 -13.173 -18.716 7.674 1.00 0.00 C ATOM 785 CG ARG B 31 -12.108 -19.823 7.764 1.00 0.00 C ATOM 786 CD ARG B 31 -10.933 -19.466 8.691 1.00 0.00 C ATOM 787 NE ARG B 31 -11.281 -19.478 10.125 1.00 0.00 N ATOM 788 CZ ARG B 31 -11.731 -18.474 10.854 1.00 0.00 C ATOM 789 NH1 ARG B 31 -11.842 -17.261 10.405 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -12.144 -18.648 12.070 1.00 0.00 N ATOM 0 H ARG B 31 -15.337 -19.780 7.087 1.00 0.00 H new ATOM 0 HA ARG B 31 -13.883 -19.423 9.576 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.593 -18.696 6.668 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.705 -17.746 7.844 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.577 -20.740 8.121 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.724 -20.029 6.765 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.119 -20.170 8.518 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.560 -18.477 8.425 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.159 -20.367 10.610 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.575 -17.046 9.444 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.196 -16.523 11.013 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.126 -19.579 12.486 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.487 -17.854 12.611 1.00 0.00 H new ATOM 804 N ARG B 32 -15.397 -17.745 10.523 1.00 0.00 N ATOM 805 CA ARG B 32 -15.790 -16.659 11.443 1.00 0.00 C ATOM 806 C ARG B 32 -14.622 -15.726 11.783 1.00 0.00 C ATOM 807 O ARG B 32 -14.778 -14.506 11.558 1.00 0.00 O ATOM 808 CB ARG B 32 -16.446 -17.312 12.681 1.00 0.00 C ATOM 809 CG ARG B 32 -16.548 -16.503 13.991 1.00 0.00 C ATOM 810 CD ARG B 32 -17.071 -15.061 13.915 1.00 0.00 C ATOM 811 NE ARG B 32 -18.275 -14.912 13.075 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.388 -14.153 12.001 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.379 -13.528 11.475 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.534 -14.013 11.404 1.00 0.00 N ATOM 815 OXT ARG B 32 -13.573 -16.220 12.255 1.00 0.00 O1- ATOM 0 H ARG B 32 -15.572 -18.663 10.932 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.514 -16.000 10.964 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.456 -17.609 12.399 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -15.894 -18.226 12.901 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -17.193 -17.056 14.674 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -15.556 -16.474 14.442 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -17.296 -14.712 14.923 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -16.283 -14.418 13.523 1.00 0.00 H new ATOM 0 HE ARG B 32 -19.099 -15.447 13.351 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.452 -13.613 11.893 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.513 -12.952 10.644 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.359 -14.492 11.765 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.608 -13.424 10.575 1.00 0.00 H new