USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.05) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc=-0.00198 (180deg=-0.0777) USER MOD Single : A 37 TYR OH : rot -119:sc= -0.36 USER MOD Single : A 43 THR OG1 : rot 40:sc= 0.15 USER MOD Single : A 47 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 56:sc= 0.353 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 38:sc= 0.351 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.598 USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 2.508 -1.184 -3.295 1.00 0.00 N ATOM 20 CA ALA A 22 2.212 -2.392 -4.087 1.00 0.00 C ATOM 21 C ALA A 22 2.971 -2.319 -5.418 1.00 0.00 C ATOM 22 O ALA A 22 3.193 -1.217 -5.948 1.00 0.00 O ATOM 23 CB ALA A 22 0.701 -2.539 -4.335 1.00 0.00 C ATOM 0 HA ALA A 22 2.538 -3.269 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.514 -3.439 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.181 -2.614 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.335 -1.669 -4.880 1.00 0.00 H new ATOM 29 N ALA A 23 3.378 -3.486 -5.944 1.00 0.00 N ATOM 30 CA ALA A 23 4.065 -3.574 -7.242 1.00 0.00 C ATOM 31 C ALA A 23 3.063 -3.307 -8.382 1.00 0.00 C ATOM 32 O ALA A 23 1.893 -3.704 -8.295 1.00 0.00 O ATOM 33 CB ALA A 23 4.737 -4.941 -7.408 1.00 0.00 C ATOM 0 H ALA A 23 3.242 -4.387 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 23 4.846 -2.815 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.239 -4.985 -8.374 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.468 -5.086 -6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.983 -5.726 -7.355 1.00 0.00 H new ATOM 39 N THR A 24 3.525 -2.609 -9.422 1.00 0.00 N ATOM 40 CA THR A 24 2.704 -2.240 -10.589 1.00 0.00 C ATOM 41 C THR A 24 2.603 -3.421 -11.569 1.00 0.00 C ATOM 42 O THR A 24 3.560 -4.181 -11.719 1.00 0.00 O ATOM 43 CB THR A 24 3.330 -1.005 -11.308 1.00 0.00 C ATOM 44 OG1 THR A 24 3.576 0.027 -10.335 1.00 0.00 O ATOM 45 CG2 THR A 24 2.430 -0.444 -12.429 1.00 0.00 C ATOM 0 H THR A 24 4.488 -2.279 -9.483 1.00 0.00 H new ATOM 0 HA THR A 24 1.701 -1.985 -10.245 1.00 0.00 H new ATOM 0 HB THR A 24 4.258 -1.334 -11.776 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.971 0.807 -10.778 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.918 0.413 -12.892 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.261 -1.215 -13.180 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.474 -0.133 -12.007 1.00 0.00 H new ATOM 53 N GLU A 25 1.440 -3.583 -12.215 1.00 0.00 N ATOM 54 CA GLU A 25 1.246 -4.616 -13.242 1.00 0.00 C ATOM 55 C GLU A 25 2.098 -4.272 -14.482 1.00 0.00 C ATOM 56 O GLU A 25 2.084 -3.127 -14.958 1.00 0.00 O ATOM 57 CB GLU A 25 -0.253 -4.742 -13.619 1.00 0.00 C ATOM 58 CG GLU A 25 -0.582 -5.931 -14.554 1.00 0.00 C ATOM 59 CD GLU A 25 -2.058 -5.960 -14.979 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.905 -6.446 -14.196 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.378 -5.469 -16.081 1.00 0.00 O ATOM 0 H GLU A 25 0.615 -3.008 -12.043 1.00 0.00 H new ATOM 0 HA GLU A 25 1.568 -5.579 -12.846 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.837 -4.843 -12.704 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.572 -3.818 -14.101 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.047 -5.874 -15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.335 -6.865 -14.048 1.00 0.00 H new ATOM 68 N LEU A 26 2.850 -5.255 -14.971 1.00 0.00 N ATOM 69 CA LEU A 26 3.738 -5.094 -16.122 1.00 0.00 C ATOM 70 C LEU A 26 3.161 -5.918 -17.278 1.00 0.00 C ATOM 71 O LEU A 26 2.935 -7.124 -17.128 1.00 0.00 O ATOM 72 CB LEU A 26 5.179 -5.549 -15.758 1.00 0.00 C ATOM 73 CG LEU A 26 6.301 -5.054 -16.717 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.439 -3.509 -16.673 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.646 -5.738 -16.406 1.00 0.00 C ATOM 0 H LEU A 26 2.861 -6.195 -14.576 1.00 0.00 H new ATOM 0 HA LEU A 26 3.801 -4.047 -16.419 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.407 -5.202 -14.750 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.202 -6.638 -15.732 1.00 0.00 H new ATOM 0 HG LEU A 26 6.012 -5.334 -17.730 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.231 -3.195 -17.353 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.497 -3.051 -16.976 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.686 -3.195 -15.659 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.408 -5.371 -17.093 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.941 -5.511 -15.382 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.541 -6.817 -16.523 1.00 0.00 H new ATOM 87 N THR A 27 2.895 -5.246 -18.403 1.00 0.00 N ATOM 88 CA THR A 27 2.270 -5.852 -19.586 1.00 0.00 C ATOM 89 C THR A 27 3.220 -6.880 -20.254 1.00 0.00 C ATOM 90 O THR A 27 4.441 -6.694 -20.174 1.00 0.00 O ATOM 91 CB THR A 27 1.866 -4.729 -20.594 1.00 0.00 C ATOM 92 OG1 THR A 27 3.023 -3.975 -20.967 1.00 0.00 O ATOM 93 CG2 THR A 27 0.810 -3.775 -20.000 1.00 0.00 C ATOM 0 H THR A 27 3.109 -4.256 -18.520 1.00 0.00 H new ATOM 0 HA THR A 27 1.375 -6.390 -19.275 1.00 0.00 H new ATOM 0 HB THR A 27 1.431 -5.214 -21.468 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.766 -3.273 -21.600 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.558 -3.009 -20.734 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.086 -4.339 -19.742 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.211 -3.301 -19.104 1.00 0.00 H new ATOM 101 N PRO A 28 2.663 -7.976 -20.911 1.00 0.00 N ATOM 102 CA PRO A 28 3.447 -9.081 -21.546 1.00 0.00 C ATOM 103 C PRO A 28 4.708 -8.643 -22.325 1.00 0.00 C ATOM 104 O PRO A 28 5.767 -9.279 -22.217 1.00 0.00 O ATOM 105 CB PRO A 28 2.413 -9.720 -22.501 1.00 0.00 C ATOM 106 CG PRO A 28 1.094 -9.549 -21.808 1.00 0.00 C ATOM 107 CD PRO A 28 1.190 -8.235 -21.048 1.00 0.00 C ATOM 0 HA PRO A 28 3.858 -9.745 -20.785 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.416 -9.228 -23.473 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.634 -10.773 -22.676 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.275 -9.525 -22.527 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.899 -10.379 -21.129 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.695 -7.428 -21.589 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.709 -8.306 -20.073 1.00 0.00 H new ATOM 115 N GLU A 29 4.580 -7.561 -23.112 1.00 0.00 N ATOM 116 CA GLU A 29 5.674 -7.052 -23.969 1.00 0.00 C ATOM 117 C GLU A 29 6.775 -6.375 -23.126 1.00 0.00 C ATOM 118 O GLU A 29 7.966 -6.537 -23.404 1.00 0.00 O ATOM 119 CB GLU A 29 5.115 -6.075 -25.030 1.00 0.00 C ATOM 120 CG GLU A 29 4.051 -6.708 -25.950 1.00 0.00 C ATOM 121 CD GLU A 29 3.522 -5.753 -27.027 1.00 0.00 C ATOM 122 OE1 GLU A 29 2.674 -4.889 -26.711 1.00 0.00 O ATOM 123 OE2 GLU A 29 3.936 -5.869 -28.200 1.00 0.00 O ATOM 0 H GLU A 29 3.721 -7.014 -23.175 1.00 0.00 H new ATOM 0 HA GLU A 29 6.126 -7.901 -24.482 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.680 -5.213 -24.525 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.938 -5.705 -25.641 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.478 -7.587 -26.434 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.216 -7.054 -25.341 1.00 0.00 H new ATOM 130 N GLN A 30 6.358 -5.622 -22.094 1.00 0.00 N ATOM 131 CA GLN A 30 7.283 -4.944 -21.158 1.00 0.00 C ATOM 132 C GLN A 30 7.949 -5.958 -20.207 1.00 0.00 C ATOM 133 O GLN A 30 9.043 -5.711 -19.685 1.00 0.00 O ATOM 134 CB GLN A 30 6.529 -3.851 -20.358 1.00 0.00 C ATOM 135 CG GLN A 30 6.038 -2.660 -21.212 1.00 0.00 C ATOM 136 CD GLN A 30 7.171 -1.839 -21.856 1.00 0.00 C ATOM 137 OE1 GLN A 30 7.019 -1.296 -22.953 1.00 0.00 O ATOM 138 NE2 GLN A 30 8.299 -1.692 -21.163 1.00 0.00 N ATOM 0 H GLN A 30 5.373 -5.464 -21.882 1.00 0.00 H new ATOM 0 HA GLN A 30 8.072 -4.467 -21.740 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.671 -4.306 -19.864 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.185 -3.474 -19.574 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.384 -3.036 -21.999 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.437 -2.001 -20.586 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.405 -2.150 -20.258 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.057 -1.122 -21.538 1.00 0.00 H new ATOM 147 N ALA A 31 7.266 -7.090 -19.999 1.00 0.00 N ATOM 148 CA ALA A 31 7.765 -8.226 -19.205 1.00 0.00 C ATOM 149 C ALA A 31 8.791 -9.038 -20.008 1.00 0.00 C ATOM 150 O ALA A 31 9.719 -9.624 -19.441 1.00 0.00 O ATOM 151 CB ALA A 31 6.581 -9.100 -18.785 1.00 0.00 C ATOM 0 H ALA A 31 6.334 -7.248 -20.383 1.00 0.00 H new ATOM 0 HA ALA A 31 8.268 -7.853 -18.313 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.942 -9.944 -18.197 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.888 -8.510 -18.186 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.069 -9.470 -19.673 1.00 0.00 H new ATOM 157 N ALA A 32 8.590 -9.064 -21.335 1.00 0.00 N ATOM 158 CA ALA A 32 9.530 -9.664 -22.297 1.00 0.00 C ATOM 159 C ALA A 32 10.751 -8.744 -22.500 1.00 0.00 C ATOM 160 O ALA A 32 11.817 -9.203 -22.923 1.00 0.00 O ATOM 161 CB ALA A 32 8.812 -9.922 -23.631 1.00 0.00 C ATOM 0 H ALA A 32 7.761 -8.665 -21.776 1.00 0.00 H new ATOM 0 HA ALA A 32 9.887 -10.615 -21.903 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.511 -10.366 -24.340 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.977 -10.604 -23.469 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.438 -8.980 -24.031 1.00 0.00 H new ATOM 167 N ALA A 33 10.561 -7.437 -22.216 1.00 0.00 N ATOM 168 CA ALA A 33 11.617 -6.416 -22.317 1.00 0.00 C ATOM 169 C ALA A 33 12.550 -6.456 -21.094 1.00 0.00 C ATOM 170 O ALA A 33 13.777 -6.437 -21.241 1.00 0.00 O ATOM 171 CB ALA A 33 10.985 -5.023 -22.470 1.00 0.00 C ATOM 0 H ALA A 33 9.663 -7.062 -21.909 1.00 0.00 H new ATOM 0 HA ALA A 33 12.220 -6.632 -23.199 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.772 -4.273 -22.544 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.374 -4.998 -23.372 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.361 -4.809 -21.602 1.00 0.00 H new ATOM 177 N LEU A 34 11.954 -6.511 -19.889 1.00 0.00 N ATOM 178 CA LEU A 34 12.706 -6.485 -18.617 1.00 0.00 C ATOM 179 C LEU A 34 13.034 -7.911 -18.154 1.00 0.00 C ATOM 180 O LEU A 34 12.252 -8.839 -18.373 1.00 0.00 O ATOM 181 CB LEU A 34 11.894 -5.733 -17.525 1.00 0.00 C ATOM 182 CG LEU A 34 11.563 -4.232 -17.833 1.00 0.00 C ATOM 183 CD1 LEU A 34 10.736 -3.587 -16.693 1.00 0.00 C ATOM 184 CD2 LEU A 34 12.849 -3.413 -18.121 1.00 0.00 C ATOM 0 H LEU A 34 10.943 -6.574 -19.768 1.00 0.00 H new ATOM 0 HA LEU A 34 13.644 -5.954 -18.781 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.957 -6.266 -17.364 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.451 -5.778 -16.589 1.00 0.00 H new ATOM 0 HG LEU A 34 10.952 -4.216 -18.735 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.525 -2.547 -16.940 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.798 -4.129 -16.572 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.302 -3.631 -15.763 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.582 -2.377 -18.330 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.506 -3.450 -17.252 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.364 -3.836 -18.983 1.00 0.00 H new ATOM 196 N LYS A 35 14.206 -8.063 -17.516 1.00 0.00 N ATOM 197 CA LYS A 35 14.662 -9.342 -16.946 1.00 0.00 C ATOM 198 C LYS A 35 14.292 -9.392 -15.444 1.00 0.00 C ATOM 199 O LYS A 35 14.764 -8.537 -14.678 1.00 0.00 O ATOM 200 CB LYS A 35 16.195 -9.514 -17.122 1.00 0.00 C ATOM 201 CG LYS A 35 16.736 -10.864 -16.585 1.00 0.00 C ATOM 202 CD LYS A 35 18.265 -11.011 -16.735 1.00 0.00 C ATOM 203 CE LYS A 35 18.772 -12.387 -16.268 1.00 0.00 C ATOM 204 NZ LYS A 35 18.251 -13.501 -17.104 1.00 0.00 N ATOM 0 H LYS A 35 14.867 -7.298 -17.380 1.00 0.00 H new ATOM 0 HA LYS A 35 14.169 -10.158 -17.475 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.442 -9.429 -18.180 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.705 -8.698 -16.609 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.470 -10.961 -15.532 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.246 -11.681 -17.115 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.541 -10.861 -17.779 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.760 -10.230 -16.159 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.862 -12.397 -16.294 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.476 -12.547 -15.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.725 -14.387 -16.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.226 -13.597 -16.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.437 -13.299 -18.107 1.00 0.00 H new ATOM 218 N PRO A 36 13.449 -10.380 -15.003 1.00 0.00 N ATOM 219 CA PRO A 36 13.074 -10.541 -13.579 1.00 0.00 C ATOM 220 C PRO A 36 14.194 -11.198 -12.750 1.00 0.00 C ATOM 221 O PRO A 36 15.004 -11.972 -13.280 1.00 0.00 O ATOM 222 CB PRO A 36 11.826 -11.446 -13.651 1.00 0.00 C ATOM 223 CG PRO A 36 12.059 -12.291 -14.863 1.00 0.00 C ATOM 224 CD PRO A 36 12.795 -11.412 -15.854 1.00 0.00 C ATOM 0 HA PRO A 36 12.893 -9.587 -13.083 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.723 -12.056 -12.753 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.912 -10.859 -13.744 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.647 -13.175 -14.615 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.115 -12.643 -15.280 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.528 -11.982 -16.425 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.111 -10.961 -16.573 1.00 0.00 H new ATOM 232 N TYR A 37 14.211 -10.896 -11.445 1.00 0.00 N ATOM 233 CA TYR A 37 15.236 -11.409 -10.509 1.00 0.00 C ATOM 234 C TYR A 37 14.768 -12.690 -9.800 1.00 0.00 C ATOM 235 O TYR A 37 15.593 -13.415 -9.229 1.00 0.00 O ATOM 236 CB TYR A 37 15.640 -10.311 -9.479 1.00 0.00 C ATOM 237 CG TYR A 37 14.517 -9.774 -8.563 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.593 -8.829 -9.021 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.405 -10.189 -7.234 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.611 -8.327 -8.189 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.421 -9.693 -6.406 1.00 0.00 C ATOM 242 CZ TYR A 37 12.532 -8.765 -6.885 1.00 0.00 C ATOM 243 OH TYR A 37 11.563 -8.266 -6.055 1.00 0.00 O ATOM 0 H TYR A 37 13.519 -10.291 -11.003 1.00 0.00 H new ATOM 0 HA TYR A 37 16.118 -11.669 -11.094 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.432 -10.712 -8.847 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.064 -9.470 -10.027 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.648 -8.486 -10.043 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.105 -10.915 -6.847 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.909 -7.595 -8.559 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.350 -10.034 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 37 11.985 -7.814 -5.294 1.00 0.00 H new ATOM 253 N ASP A 38 13.452 -12.972 -9.874 1.00 0.00 N ATOM 254 CA ASP A 38 12.820 -14.076 -9.137 1.00 0.00 C ATOM 255 C ASP A 38 11.394 -14.336 -9.684 1.00 0.00 C ATOM 256 O ASP A 38 10.860 -13.536 -10.463 1.00 0.00 O ATOM 257 CB ASP A 38 12.805 -13.727 -7.613 1.00 0.00 C ATOM 258 CG ASP A 38 12.230 -14.831 -6.716 1.00 0.00 C ATOM 259 OD1 ASP A 38 12.831 -15.929 -6.665 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.176 -14.619 -6.084 1.00 0.00 O ATOM 0 H ASP A 38 12.800 -12.438 -10.448 1.00 0.00 H new ATOM 0 HA ASP A 38 13.390 -14.995 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.824 -13.509 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.223 -12.817 -7.467 1.00 0.00 H new ATOM 265 N ARG A 39 10.828 -15.504 -9.329 1.00 0.00 N ATOM 266 CA ARG A 39 9.414 -15.851 -9.548 1.00 0.00 C ATOM 267 C ARG A 39 8.754 -16.116 -8.188 1.00 0.00 C ATOM 268 O ARG A 39 9.304 -16.858 -7.374 1.00 0.00 O ATOM 269 CB ARG A 39 9.281 -17.106 -10.464 1.00 0.00 C ATOM 270 CG ARG A 39 9.606 -16.858 -11.971 1.00 0.00 C ATOM 271 CD ARG A 39 10.861 -17.585 -12.499 1.00 0.00 C ATOM 272 NE ARG A 39 12.122 -17.090 -11.894 1.00 0.00 N ATOM 273 CZ ARG A 39 12.910 -16.132 -12.410 1.00 0.00 C ATOM 274 NH1 ARG A 39 12.533 -15.431 -13.471 1.00 0.00 N ATOM 275 NH2 ARG A 39 14.069 -15.856 -11.831 1.00 0.00 N ATOM 0 H ARG A 39 11.354 -16.249 -8.872 1.00 0.00 H new ATOM 0 HA ARG A 39 8.916 -15.021 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.945 -17.884 -10.088 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.264 -17.489 -10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.748 -17.168 -12.567 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.733 -15.787 -12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.765 -18.652 -12.300 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.914 -17.466 -13.581 1.00 0.00 H new ATOM 0 HE ARG A 39 12.415 -17.512 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.631 -15.615 -13.910 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.145 -14.708 -13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.358 -16.370 -10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.672 -15.130 -12.218 1.00 0.00 H new ATOM 289 N ILE A 40 7.608 -15.469 -7.935 1.00 0.00 N ATOM 290 CA ILE A 40 6.768 -15.734 -6.752 1.00 0.00 C ATOM 291 C ILE A 40 5.640 -16.727 -7.097 1.00 0.00 C ATOM 292 O ILE A 40 5.232 -16.867 -8.263 1.00 0.00 O ATOM 293 CB ILE A 40 6.156 -14.414 -6.151 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.282 -13.662 -7.214 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.281 -13.503 -5.590 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.619 -12.392 -6.719 1.00 0.00 C ATOM 0 H ILE A 40 7.233 -14.743 -8.546 1.00 0.00 H new ATOM 0 HA ILE A 40 7.416 -16.174 -5.994 1.00 0.00 H new ATOM 0 HB ILE A 40 5.498 -14.684 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.911 -13.415 -8.070 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.509 -14.341 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.842 -12.594 -5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.821 -14.033 -4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.971 -13.241 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.038 -11.946 -7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.959 -12.628 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.383 -11.687 -6.390 1.00 0.00 H new ATOM 308 N VAL A 41 5.148 -17.401 -6.051 1.00 0.00 N ATOM 309 CA VAL A 41 4.131 -18.458 -6.131 1.00 0.00 C ATOM 310 C VAL A 41 3.012 -18.158 -5.128 1.00 0.00 C ATOM 311 O VAL A 41 3.281 -18.029 -3.931 1.00 0.00 O ATOM 312 CB VAL A 41 4.771 -19.875 -5.812 1.00 0.00 C ATOM 313 CG1 VAL A 41 3.698 -20.974 -5.614 1.00 0.00 C ATOM 314 CG2 VAL A 41 5.786 -20.287 -6.907 1.00 0.00 C ATOM 0 H VAL A 41 5.456 -17.221 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 41 3.725 -18.483 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 41 5.305 -19.775 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.186 -21.924 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.048 -20.703 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.103 -21.070 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.209 -21.261 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.279 -20.342 -7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.585 -19.547 -6.959 1.00 0.00 H new ATOM 324 N ILE A 42 1.764 -18.023 -5.626 1.00 0.00 N ATOM 325 CA ILE A 42 0.544 -17.970 -4.782 1.00 0.00 C ATOM 326 C ILE A 42 -0.508 -18.912 -5.403 1.00 0.00 C ATOM 327 O ILE A 42 -0.346 -19.359 -6.545 1.00 0.00 O ATOM 328 CB ILE A 42 -0.038 -16.496 -4.587 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.546 -15.851 -5.937 1.00 0.00 C ATOM 330 CG2 ILE A 42 0.988 -15.568 -3.878 1.00 0.00 C ATOM 331 CD1 ILE A 42 -2.057 -15.898 -6.146 1.00 0.00 C ATOM 0 H ILE A 42 1.571 -17.947 -6.625 1.00 0.00 H new ATOM 0 HA ILE A 42 0.810 -18.298 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.910 -16.598 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.222 -14.811 -5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.063 -16.361 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.559 -14.573 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.230 -15.976 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.896 -15.504 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.307 -15.432 -7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.392 -16.935 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.553 -15.361 -5.338 1.00 0.00 H new ATOM 343 N THR A 43 -1.574 -19.232 -4.650 1.00 0.00 N ATOM 344 CA THR A 43 -2.634 -20.160 -5.103 1.00 0.00 C ATOM 345 C THR A 43 -4.017 -19.489 -5.041 1.00 0.00 C ATOM 346 O THR A 43 -4.505 -19.140 -3.955 1.00 0.00 O ATOM 347 CB THR A 43 -2.629 -21.482 -4.253 1.00 0.00 C ATOM 348 OG1 THR A 43 -2.653 -21.173 -2.847 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.397 -22.348 -4.557 1.00 0.00 C ATOM 0 H THR A 43 -1.728 -18.859 -3.713 1.00 0.00 H new ATOM 0 HA THR A 43 -2.424 -20.420 -6.141 1.00 0.00 H new ATOM 0 HB THR A 43 -3.522 -22.044 -4.525 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.263 -20.422 -2.687 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.430 -23.253 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.394 -22.619 -5.613 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.492 -21.787 -4.324 1.00 0.00 H new ATOM 357 N GLY A 44 -4.630 -19.301 -6.221 1.00 0.00 N ATOM 358 CA GLY A 44 -5.991 -18.791 -6.327 1.00 0.00 C ATOM 359 C GLY A 44 -6.999 -19.891 -6.013 1.00 0.00 C ATOM 360 O GLY A 44 -7.395 -20.643 -6.892 1.00 0.00 O ATOM 0 H GLY A 44 -4.191 -19.500 -7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.128 -17.957 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.164 -18.407 -7.332 1.00 0.00 H new ATOM 364 N ARG A 45 -7.378 -20.016 -4.732 1.00 0.00 N ATOM 365 CA ARG A 45 -8.244 -21.109 -4.249 1.00 0.00 C ATOM 366 C ARG A 45 -9.709 -20.680 -4.275 1.00 0.00 C ATOM 367 O ARG A 45 -10.189 -20.027 -3.339 1.00 0.00 O ATOM 368 CB ARG A 45 -7.798 -21.538 -2.839 1.00 0.00 C ATOM 369 CG ARG A 45 -6.387 -22.154 -2.817 1.00 0.00 C ATOM 370 CD ARG A 45 -5.888 -22.430 -1.394 1.00 0.00 C ATOM 371 NE ARG A 45 -6.759 -23.373 -0.664 1.00 0.00 N ATOM 372 CZ ARG A 45 -6.435 -23.997 0.475 1.00 0.00 C ATOM 373 NH1 ARG A 45 -5.255 -23.800 1.042 1.00 0.00 N ATOM 374 NH2 ARG A 45 -7.296 -24.823 1.043 1.00 0.00 N ATOM 0 H ARG A 45 -7.095 -19.364 -4.000 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.148 -21.970 -4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.821 -20.672 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.511 -22.261 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.392 -23.085 -3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.692 -21.480 -3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.877 -22.834 -1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.832 -21.491 -0.843 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.680 -23.564 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.581 -23.167 0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.020 -24.281 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.207 -24.985 0.613 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.050 -25.299 1.911 1.00 0.00 H new ATOM 388 N PHE A 46 -10.391 -21.029 -5.389 1.00 0.00 N ATOM 389 CA PHE A 46 -11.808 -20.688 -5.645 1.00 0.00 C ATOM 390 C PHE A 46 -11.988 -19.155 -5.635 1.00 0.00 C ATOM 391 O PHE A 46 -12.972 -18.613 -5.118 1.00 0.00 O ATOM 392 CB PHE A 46 -12.750 -21.428 -4.648 1.00 0.00 C ATOM 393 CG PHE A 46 -12.668 -22.956 -4.751 1.00 0.00 C ATOM 394 CD1 PHE A 46 -11.676 -23.671 -4.078 1.00 0.00 C ATOM 395 CD2 PHE A 46 -13.572 -23.673 -5.534 1.00 0.00 C ATOM 396 CE1 PHE A 46 -11.586 -25.042 -4.186 1.00 0.00 C ATOM 397 CE2 PHE A 46 -13.479 -25.046 -5.642 1.00 0.00 C ATOM 398 CZ PHE A 46 -12.489 -25.732 -4.964 1.00 0.00 C ATOM 0 H PHE A 46 -9.966 -21.563 -6.147 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.095 -21.037 -6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.499 -21.126 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -13.778 -21.114 -4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.966 -23.140 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.354 -23.148 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.807 -25.575 -3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -14.182 -25.586 -6.258 1.00 0.00 H new ATOM 0 HZ PHE A 46 -12.424 -26.807 -5.044 1.00 0.00 H new ATOM 408 N ASN A 47 -11.006 -18.486 -6.261 1.00 0.00 N ATOM 409 CA ASN A 47 -10.886 -17.021 -6.301 1.00 0.00 C ATOM 410 C ASN A 47 -11.041 -16.507 -7.740 1.00 0.00 C ATOM 411 O ASN A 47 -10.973 -17.280 -8.706 1.00 0.00 O ATOM 412 CB ASN A 47 -9.495 -16.593 -5.754 1.00 0.00 C ATOM 413 CG ASN A 47 -9.216 -16.982 -4.293 1.00 0.00 C ATOM 414 OD1 ASN A 47 -8.072 -17.259 -3.926 1.00 0.00 O ATOM 415 ND2 ASN A 47 -10.230 -16.967 -3.436 1.00 0.00 N ATOM 0 H ASN A 47 -10.257 -18.961 -6.765 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.675 -16.593 -5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.723 -17.035 -6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.403 -15.511 -5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.070 -17.187 -2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.169 -16.735 -3.761 1.00 0.00 H new ATOM 422 N ALA A 48 -11.225 -15.188 -7.867 1.00 0.00 N ATOM 423 CA ALA A 48 -11.214 -14.498 -9.164 1.00 0.00 C ATOM 424 C ALA A 48 -9.766 -14.187 -9.578 1.00 0.00 C ATOM 425 O ALA A 48 -8.831 -14.318 -8.767 1.00 0.00 O ATOM 426 CB ALA A 48 -12.052 -13.208 -9.089 1.00 0.00 C ATOM 0 H ALA A 48 -11.386 -14.568 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.658 -15.147 -9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.035 -12.707 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.080 -13.457 -8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.634 -12.546 -8.330 1.00 0.00 H new ATOM 432 N ILE A 49 -9.589 -13.775 -10.844 1.00 0.00 N ATOM 433 CA ILE A 49 -8.281 -13.346 -11.365 1.00 0.00 C ATOM 434 C ILE A 49 -7.789 -12.092 -10.609 1.00 0.00 C ATOM 435 O ILE A 49 -6.600 -11.940 -10.383 1.00 0.00 O ATOM 436 CB ILE A 49 -8.317 -13.077 -12.921 1.00 0.00 C ATOM 437 CG1 ILE A 49 -6.886 -12.747 -13.488 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.330 -11.960 -13.280 1.00 0.00 C ATOM 439 CD1 ILE A 49 -5.845 -13.845 -13.298 1.00 0.00 C ATOM 0 H ILE A 49 -10.342 -13.730 -11.530 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.579 -14.163 -11.197 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.654 -13.998 -13.397 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.975 -12.533 -14.553 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.523 -11.837 -13.009 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.329 -11.801 -14.358 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.328 -12.257 -12.958 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.046 -11.036 -12.777 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.894 -13.522 -13.722 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.719 -14.047 -12.234 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.177 -14.752 -13.802 1.00 0.00 H new ATOM 451 N GLY A 50 -8.744 -11.232 -10.187 1.00 0.00 N ATOM 452 CA GLY A 50 -8.445 -10.027 -9.406 1.00 0.00 C ATOM 453 C GLY A 50 -7.831 -10.334 -8.045 1.00 0.00 C ATOM 454 O GLY A 50 -7.030 -9.549 -7.540 1.00 0.00 O ATOM 0 H GLY A 50 -9.737 -11.360 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.761 -9.395 -9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.363 -9.456 -9.264 1.00 0.00 H new ATOM 458 N ASP A 51 -8.210 -11.490 -7.459 1.00 0.00 N ATOM 459 CA ASP A 51 -7.664 -11.974 -6.167 1.00 0.00 C ATOM 460 C ASP A 51 -6.242 -12.523 -6.355 1.00 0.00 C ATOM 461 O ASP A 51 -5.392 -12.383 -5.467 1.00 0.00 O ATOM 462 CB ASP A 51 -8.571 -13.067 -5.552 1.00 0.00 C ATOM 463 CG ASP A 51 -9.971 -12.551 -5.185 1.00 0.00 C ATOM 464 OD1 ASP A 51 -10.091 -11.794 -4.197 1.00 0.00 O ATOM 465 OD2 ASP A 51 -10.950 -12.886 -5.879 1.00 0.00 O ATOM 0 H ASP A 51 -8.904 -12.117 -7.867 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.632 -11.127 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.668 -13.891 -6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.092 -13.468 -4.659 1.00 0.00 H new ATOM 470 N ALA A 52 -6.008 -13.162 -7.518 1.00 0.00 N ATOM 471 CA ALA A 52 -4.680 -13.675 -7.903 1.00 0.00 C ATOM 472 C ALA A 52 -3.704 -12.504 -8.105 1.00 0.00 C ATOM 473 O ALA A 52 -2.612 -12.499 -7.544 1.00 0.00 O ATOM 474 CB ALA A 52 -4.774 -14.535 -9.176 1.00 0.00 C ATOM 0 H ALA A 52 -6.732 -13.336 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.304 -14.309 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.783 -14.902 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.438 -15.380 -8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.168 -13.932 -9.994 1.00 0.00 H new ATOM 480 N VAL A 53 -4.151 -11.499 -8.880 1.00 0.00 N ATOM 481 CA VAL A 53 -3.390 -10.268 -9.167 1.00 0.00 C ATOM 482 C VAL A 53 -3.164 -9.449 -7.874 1.00 0.00 C ATOM 483 O VAL A 53 -2.129 -8.809 -7.730 1.00 0.00 O ATOM 484 CB VAL A 53 -4.120 -9.395 -10.267 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.410 -8.036 -10.507 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.243 -10.182 -11.601 1.00 0.00 C ATOM 0 H VAL A 53 -5.065 -11.519 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.415 -10.557 -9.560 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.119 -9.178 -9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.949 -7.474 -11.270 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.394 -7.465 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.388 -8.214 -10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.748 -9.563 -12.343 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.248 -10.443 -11.962 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.819 -11.092 -11.435 1.00 0.00 H new ATOM 496 N SER A 54 -4.139 -9.505 -6.944 1.00 0.00 N ATOM 497 CA SER A 54 -4.056 -8.841 -5.625 1.00 0.00 C ATOM 498 C SER A 54 -2.905 -9.434 -4.783 1.00 0.00 C ATOM 499 O SER A 54 -2.042 -8.700 -4.277 1.00 0.00 O ATOM 500 CB SER A 54 -5.398 -8.999 -4.868 1.00 0.00 C ATOM 501 OG SER A 54 -5.401 -8.340 -3.608 1.00 0.00 O ATOM 0 H SER A 54 -5.011 -10.015 -7.087 1.00 0.00 H new ATOM 0 HA SER A 54 -3.855 -7.782 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.206 -8.601 -5.483 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.603 -10.059 -4.719 1.00 0.00 H new ATOM 0 HG SER A 54 -6.270 -8.469 -3.173 1.00 0.00 H new ATOM 507 N ALA A 55 -2.905 -10.774 -4.663 1.00 0.00 N ATOM 508 CA ALA A 55 -1.906 -11.519 -3.876 1.00 0.00 C ATOM 509 C ALA A 55 -0.498 -11.372 -4.479 1.00 0.00 C ATOM 510 O ALA A 55 0.476 -11.189 -3.751 1.00 0.00 O ATOM 511 CB ALA A 55 -2.307 -12.995 -3.778 1.00 0.00 C ATOM 0 H ALA A 55 -3.600 -11.372 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.878 -11.097 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.562 -13.536 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.279 -13.076 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.366 -13.423 -4.779 1.00 0.00 H new ATOM 517 N VAL A 56 -0.424 -11.446 -5.817 1.00 0.00 N ATOM 518 CA VAL A 56 0.824 -11.267 -6.584 1.00 0.00 C ATOM 519 C VAL A 56 1.364 -9.819 -6.471 1.00 0.00 C ATOM 520 O VAL A 56 2.569 -9.628 -6.335 1.00 0.00 O ATOM 521 CB VAL A 56 0.613 -11.664 -8.099 1.00 0.00 C ATOM 522 CG1 VAL A 56 1.791 -11.227 -8.992 1.00 0.00 C ATOM 523 CG2 VAL A 56 0.382 -13.188 -8.243 1.00 0.00 C ATOM 0 H VAL A 56 -1.236 -11.634 -6.405 1.00 0.00 H new ATOM 0 HA VAL A 56 1.571 -11.932 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.275 -11.131 -8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.596 -11.524 -10.023 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.904 -10.144 -8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.707 -11.704 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.239 -13.437 -9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.248 -13.725 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.505 -13.477 -7.678 1.00 0.00 H new ATOM 533 N SER A 57 0.462 -8.818 -6.508 1.00 0.00 N ATOM 534 CA SER A 57 0.835 -7.379 -6.442 1.00 0.00 C ATOM 535 C SER A 57 1.493 -7.051 -5.101 1.00 0.00 C ATOM 536 O SER A 57 2.507 -6.333 -5.044 1.00 0.00 O ATOM 537 CB SER A 57 -0.403 -6.481 -6.648 1.00 0.00 C ATOM 538 OG SER A 57 -0.066 -5.101 -6.625 1.00 0.00 O ATOM 0 H SER A 57 -0.543 -8.976 -6.584 1.00 0.00 H new ATOM 0 HA SER A 57 1.548 -7.183 -7.243 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.873 -6.724 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.136 -6.689 -5.869 1.00 0.00 H new ATOM 0 HG SER A 57 0.625 -4.922 -7.297 1.00 0.00 H new ATOM 544 N ARG A 58 0.890 -7.597 -4.026 1.00 0.00 N ATOM 545 CA ARG A 58 1.422 -7.479 -2.674 1.00 0.00 C ATOM 546 C ARG A 58 2.760 -8.214 -2.573 1.00 0.00 C ATOM 547 O ARG A 58 3.759 -7.613 -2.196 1.00 0.00 O ATOM 548 CB ARG A 58 0.438 -8.052 -1.619 1.00 0.00 C ATOM 549 CG ARG A 58 0.999 -8.010 -0.177 1.00 0.00 C ATOM 550 CD ARG A 58 0.106 -8.678 0.862 1.00 0.00 C ATOM 551 NE ARG A 58 0.738 -8.632 2.194 1.00 0.00 N ATOM 552 CZ ARG A 58 0.114 -8.422 3.359 1.00 0.00 C ATOM 553 NH1 ARG A 58 -1.201 -8.269 3.408 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.817 -8.389 4.472 1.00 0.00 N ATOM 0 H ARG A 58 0.022 -8.130 -4.082 1.00 0.00 H new ATOM 0 HA ARG A 58 1.564 -6.418 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.494 -7.488 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.197 -9.083 -1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.976 -8.494 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.155 -6.970 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.861 -8.177 0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.081 -9.713 0.577 1.00 0.00 H new ATOM 0 HE ARG A 58 1.747 -8.774 2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.752 -8.311 2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.663 -8.110 4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.828 -8.523 4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.351 -8.230 5.365 1.00 0.00 H new ATOM 568 N ARG A 59 2.756 -9.510 -2.957 1.00 0.00 N ATOM 569 CA ARG A 59 3.888 -10.433 -2.729 1.00 0.00 C ATOM 570 C ARG A 59 5.154 -9.960 -3.457 1.00 0.00 C ATOM 571 O ARG A 59 6.253 -10.060 -2.919 1.00 0.00 O ATOM 572 CB ARG A 59 3.530 -11.894 -3.142 1.00 0.00 C ATOM 573 CG ARG A 59 4.587 -12.950 -2.725 1.00 0.00 C ATOM 574 CD ARG A 59 4.808 -12.967 -1.199 1.00 0.00 C ATOM 575 NE ARG A 59 5.935 -13.816 -0.800 1.00 0.00 N ATOM 576 CZ ARG A 59 6.419 -13.911 0.444 1.00 0.00 C ATOM 577 NH1 ARG A 59 5.854 -13.254 1.447 1.00 0.00 N ATOM 578 NH2 ARG A 59 7.469 -14.672 0.669 1.00 0.00 N ATOM 0 H ARG A 59 1.966 -9.945 -3.434 1.00 0.00 H new ATOM 0 HA ARG A 59 4.092 -10.428 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.571 -12.161 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.401 -11.933 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.265 -13.937 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.531 -12.737 -3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.984 -11.949 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.901 -13.320 -0.709 1.00 0.00 H new ATOM 0 HE ARG A 59 6.384 -14.376 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.038 -12.666 1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.235 -13.337 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.904 -15.181 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.847 -14.753 1.613 1.00 0.00 H new ATOM 592 N ALA A 60 4.963 -9.422 -4.667 1.00 0.00 N ATOM 593 CA ALA A 60 6.037 -8.820 -5.469 1.00 0.00 C ATOM 594 C ALA A 60 6.670 -7.639 -4.724 1.00 0.00 C ATOM 595 O ALA A 60 7.892 -7.548 -4.606 1.00 0.00 O ATOM 596 CB ALA A 60 5.486 -8.379 -6.833 1.00 0.00 C ATOM 0 H ALA A 60 4.051 -9.391 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 60 6.815 -9.565 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.287 -7.934 -7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.085 -9.245 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.693 -7.645 -6.685 1.00 0.00 H new ATOM 602 N ASP A 61 5.805 -6.774 -4.172 1.00 0.00 N ATOM 603 CA ASP A 61 6.216 -5.600 -3.377 1.00 0.00 C ATOM 604 C ASP A 61 6.938 -6.038 -2.078 1.00 0.00 C ATOM 605 O ASP A 61 7.842 -5.340 -1.610 1.00 0.00 O ATOM 606 CB ASP A 61 4.971 -4.731 -3.057 1.00 0.00 C ATOM 607 CG ASP A 61 5.288 -3.415 -2.309 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.552 -2.387 -2.971 1.00 0.00 O ATOM 609 OD2 ASP A 61 5.267 -3.402 -1.059 1.00 0.00 O ATOM 0 H ASP A 61 4.793 -6.868 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 61 6.921 -5.006 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.461 -4.491 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.277 -5.319 -2.456 1.00 0.00 H new ATOM 614 N GLU A 62 6.545 -7.216 -1.518 1.00 0.00 N ATOM 615 CA GLU A 62 7.190 -7.799 -0.315 1.00 0.00 C ATOM 616 C GLU A 62 8.639 -8.229 -0.637 1.00 0.00 C ATOM 617 O GLU A 62 9.529 -8.152 0.224 1.00 0.00 O ATOM 618 CB GLU A 62 6.381 -9.015 0.241 1.00 0.00 C ATOM 619 CG GLU A 62 4.869 -8.768 0.522 1.00 0.00 C ATOM 620 CD GLU A 62 4.536 -7.824 1.704 1.00 0.00 C ATOM 621 OE1 GLU A 62 4.942 -6.648 1.679 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.819 -8.243 2.638 1.00 0.00 O ATOM 0 H GLU A 62 5.779 -7.781 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 62 7.207 -7.028 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.467 -9.837 -0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.852 -9.344 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.416 -8.359 -0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.394 -9.731 0.709 1.00 0.00 H new ATOM 629 N GLU A 63 8.860 -8.678 -1.891 1.00 0.00 N ATOM 630 CA GLU A 63 10.196 -9.074 -2.388 1.00 0.00 C ATOM 631 C GLU A 63 11.034 -7.835 -2.782 1.00 0.00 C ATOM 632 O GLU A 63 12.247 -7.956 -3.001 1.00 0.00 O ATOM 633 CB GLU A 63 10.077 -10.037 -3.606 1.00 0.00 C ATOM 634 CG GLU A 63 9.141 -11.247 -3.401 1.00 0.00 C ATOM 635 CD GLU A 63 9.462 -12.113 -2.164 1.00 0.00 C ATOM 636 OE1 GLU A 63 10.392 -12.938 -2.224 1.00 0.00 O ATOM 637 OE2 GLU A 63 8.788 -11.979 -1.127 1.00 0.00 O ATOM 0 H GLU A 63 8.120 -8.776 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 63 10.703 -9.596 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.724 -9.467 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.072 -10.406 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.116 -10.885 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.185 -11.877 -4.289 1.00 0.00 H new ATOM 644 N GLY A 64 10.379 -6.661 -2.882 1.00 0.00 N ATOM 645 CA GLY A 64 11.057 -5.403 -3.230 1.00 0.00 C ATOM 646 C GLY A 64 11.044 -5.125 -4.729 1.00 0.00 C ATOM 647 O GLY A 64 11.948 -4.466 -5.262 1.00 0.00 O ATOM 0 H GLY A 64 9.376 -6.561 -2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.574 -4.578 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.089 -5.442 -2.880 1.00 0.00 H new ATOM 651 N ALA A 65 10.010 -5.646 -5.412 1.00 0.00 N ATOM 652 CA ALA A 65 9.801 -5.448 -6.858 1.00 0.00 C ATOM 653 C ALA A 65 8.976 -4.183 -7.118 1.00 0.00 C ATOM 654 O ALA A 65 8.037 -3.873 -6.376 1.00 0.00 O ATOM 655 CB ALA A 65 9.096 -6.665 -7.480 1.00 0.00 C ATOM 0 H ALA A 65 9.290 -6.221 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 65 10.780 -5.333 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.952 -6.496 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.708 -7.555 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.127 -6.808 -7.002 1.00 0.00 H new ATOM 661 N ALA A 66 9.341 -3.472 -8.190 1.00 0.00 N ATOM 662 CA ALA A 66 8.607 -2.297 -8.681 1.00 0.00 C ATOM 663 C ALA A 66 7.413 -2.737 -9.540 1.00 0.00 C ATOM 664 O ALA A 66 6.414 -2.023 -9.637 1.00 0.00 O ATOM 665 CB ALA A 66 9.545 -1.407 -9.500 1.00 0.00 C ATOM 0 H ALA A 66 10.164 -3.698 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 66 8.232 -1.731 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.997 -0.537 -9.862 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.374 -1.079 -8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.933 -1.971 -10.349 1.00 0.00 H new ATOM 671 N SER A 67 7.543 -3.921 -10.169 1.00 0.00 N ATOM 672 CA SER A 67 6.552 -4.463 -11.110 1.00 0.00 C ATOM 673 C SER A 67 6.422 -5.991 -10.961 1.00 0.00 C ATOM 674 O SER A 67 7.233 -6.633 -10.286 1.00 0.00 O ATOM 675 CB SER A 67 6.945 -4.077 -12.560 1.00 0.00 C ATOM 676 OG SER A 67 7.005 -2.664 -12.731 1.00 0.00 O ATOM 0 H SER A 67 8.349 -4.532 -10.035 1.00 0.00 H new ATOM 0 HA SER A 67 5.578 -4.031 -10.881 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.913 -4.514 -12.803 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.221 -4.498 -13.258 1.00 0.00 H new ATOM 0 HG SER A 67 7.257 -2.457 -13.655 1.00 0.00 H new ATOM 682 N PHE A 68 5.372 -6.550 -11.585 1.00 0.00 N ATOM 683 CA PHE A 68 5.112 -8.006 -11.627 1.00 0.00 C ATOM 684 C PHE A 68 4.449 -8.372 -12.958 1.00 0.00 C ATOM 685 O PHE A 68 3.872 -7.508 -13.614 1.00 0.00 O ATOM 686 CB PHE A 68 4.192 -8.445 -10.445 1.00 0.00 C ATOM 687 CG PHE A 68 2.740 -7.919 -10.499 1.00 0.00 C ATOM 688 CD1 PHE A 68 1.730 -8.628 -11.168 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.384 -6.729 -9.875 1.00 0.00 C ATOM 690 CE1 PHE A 68 0.434 -8.166 -11.205 1.00 0.00 C ATOM 691 CE2 PHE A 68 1.080 -6.270 -9.917 1.00 0.00 C ATOM 692 CZ PHE A 68 0.109 -6.986 -10.579 1.00 0.00 C ATOM 0 H PHE A 68 4.670 -6.001 -12.081 1.00 0.00 H new ATOM 0 HA PHE A 68 6.064 -8.528 -11.533 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.164 -9.534 -10.415 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.646 -8.112 -9.512 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.975 -9.555 -11.664 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.135 -6.156 -9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.326 -8.730 -11.725 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.822 -5.343 -9.427 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.907 -6.621 -10.607 1.00 0.00 H new ATOM 702 N TYR A 69 4.488 -9.658 -13.315 1.00 0.00 N ATOM 703 CA TYR A 69 3.723 -10.196 -14.443 1.00 0.00 C ATOM 704 C TYR A 69 3.483 -11.694 -14.240 1.00 0.00 C ATOM 705 O TYR A 69 4.433 -12.460 -14.060 1.00 0.00 O ATOM 706 CB TYR A 69 4.438 -9.937 -15.794 1.00 0.00 C ATOM 707 CG TYR A 69 3.778 -10.637 -16.999 1.00 0.00 C ATOM 708 CD1 TYR A 69 2.481 -10.308 -17.406 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.444 -11.637 -17.717 1.00 0.00 C ATOM 710 CE1 TYR A 69 1.883 -10.953 -18.472 1.00 0.00 C ATOM 711 CE2 TYR A 69 3.850 -12.274 -18.782 1.00 0.00 C ATOM 712 CZ TYR A 69 2.572 -11.934 -19.157 1.00 0.00 C ATOM 713 OH TYR A 69 1.983 -12.585 -20.220 1.00 0.00 O ATOM 0 H TYR A 69 5.051 -10.356 -12.830 1.00 0.00 H new ATOM 0 HA TYR A 69 2.764 -9.680 -14.479 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.463 -8.863 -15.980 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.473 -10.271 -15.715 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.938 -9.538 -16.879 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.447 -11.915 -17.428 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.878 -10.690 -18.769 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.387 -13.040 -19.322 1.00 0.00 H new ATOM 0 HH TYR A 69 2.609 -13.244 -20.587 1.00 0.00 H new ATOM 723 N VAL A 70 2.200 -12.094 -14.288 1.00 0.00 N ATOM 724 CA VAL A 70 1.793 -13.499 -14.216 1.00 0.00 C ATOM 725 C VAL A 70 2.018 -14.162 -15.589 1.00 0.00 C ATOM 726 O VAL A 70 1.356 -13.811 -16.573 1.00 0.00 O ATOM 727 CB VAL A 70 0.289 -13.642 -13.776 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.123 -15.136 -13.669 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.021 -12.885 -12.446 1.00 0.00 C ATOM 0 H VAL A 70 1.418 -11.446 -14.378 1.00 0.00 H new ATOM 0 HA VAL A 70 2.400 -13.999 -13.462 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.330 -13.184 -14.547 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.167 -15.205 -13.363 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.004 -15.619 -14.638 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.505 -15.635 -12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.026 -13.001 -12.166 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.655 -13.295 -11.660 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.246 -11.827 -12.578 1.00 0.00 H new ATOM 739 N VAL A 71 2.978 -15.097 -15.639 1.00 0.00 N ATOM 740 CA VAL A 71 3.359 -15.804 -16.873 1.00 0.00 C ATOM 741 C VAL A 71 2.527 -17.085 -17.025 1.00 0.00 C ATOM 742 O VAL A 71 2.051 -17.399 -18.118 1.00 0.00 O ATOM 743 CB VAL A 71 4.897 -16.137 -16.855 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.342 -16.979 -18.085 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.724 -14.834 -16.740 1.00 0.00 C ATOM 0 H VAL A 71 3.515 -15.386 -14.821 1.00 0.00 H new ATOM 0 HA VAL A 71 3.158 -15.159 -17.728 1.00 0.00 H new ATOM 0 HB VAL A 71 5.086 -16.755 -15.977 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.411 -17.179 -18.021 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.796 -17.922 -18.097 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.131 -16.426 -19.000 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.786 -15.077 -16.728 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.508 -14.190 -17.592 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.460 -14.316 -15.818 1.00 0.00 H new ATOM 755 N ASP A 72 2.332 -17.806 -15.915 1.00 0.00 N ATOM 756 CA ASP A 72 1.685 -19.125 -15.928 1.00 0.00 C ATOM 757 C ASP A 72 0.596 -19.203 -14.855 1.00 0.00 C ATOM 758 O ASP A 72 0.752 -18.660 -13.763 1.00 0.00 O ATOM 759 CB ASP A 72 2.752 -20.228 -15.709 1.00 0.00 C ATOM 760 CG ASP A 72 2.168 -21.655 -15.764 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.973 -22.182 -16.878 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.890 -22.251 -14.699 1.00 0.00 O ATOM 0 H ASP A 72 2.616 -17.495 -14.986 1.00 0.00 H new ATOM 0 HA ASP A 72 1.210 -19.279 -16.897 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.528 -20.130 -16.468 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.231 -20.075 -14.742 1.00 0.00 H new ATOM 767 N THR A 73 -0.518 -19.860 -15.208 1.00 0.00 N ATOM 768 CA THR A 73 -1.614 -20.201 -14.291 1.00 0.00 C ATOM 769 C THR A 73 -2.019 -21.655 -14.567 1.00 0.00 C ATOM 770 O THR A 73 -2.630 -21.943 -15.597 1.00 0.00 O ATOM 771 CB THR A 73 -2.847 -19.239 -14.464 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.239 -19.165 -15.849 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.540 -17.826 -13.948 1.00 0.00 C ATOM 0 H THR A 73 -0.686 -20.177 -16.163 1.00 0.00 H new ATOM 0 HA THR A 73 -1.274 -20.084 -13.262 1.00 0.00 H new ATOM 0 HB THR A 73 -3.664 -19.653 -13.873 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.144 -20.048 -16.263 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.415 -17.191 -14.084 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.287 -17.872 -12.889 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.700 -17.410 -14.504 1.00 0.00 H new ATOM 781 N SER A 74 -1.648 -22.574 -13.660 1.00 0.00 N ATOM 782 CA SER A 74 -1.867 -24.020 -13.849 1.00 0.00 C ATOM 783 C SER A 74 -2.715 -24.574 -12.696 1.00 0.00 C ATOM 784 O SER A 74 -2.255 -24.635 -11.560 1.00 0.00 O ATOM 785 CB SER A 74 -0.508 -24.754 -13.935 1.00 0.00 C ATOM 786 OG SER A 74 -0.671 -26.127 -14.262 1.00 0.00 O ATOM 0 H SER A 74 -1.190 -22.339 -12.779 1.00 0.00 H new ATOM 0 HA SER A 74 -2.405 -24.184 -14.783 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.118 -24.273 -14.686 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.014 -24.667 -12.982 1.00 0.00 H new ATOM 0 HG SER A 74 0.208 -26.559 -14.309 1.00 0.00 H new ATOM 792 N GLU A 75 -3.961 -24.969 -12.995 1.00 0.00 N ATOM 793 CA GLU A 75 -4.881 -25.555 -11.996 1.00 0.00 C ATOM 794 C GLU A 75 -4.435 -26.963 -11.582 1.00 0.00 C ATOM 795 O GLU A 75 -3.689 -27.629 -12.317 1.00 0.00 O ATOM 796 CB GLU A 75 -6.324 -25.567 -12.554 1.00 0.00 C ATOM 797 CG GLU A 75 -6.509 -26.381 -13.858 1.00 0.00 C ATOM 798 CD GLU A 75 -7.861 -26.114 -14.525 1.00 0.00 C ATOM 799 OE1 GLU A 75 -7.964 -25.150 -15.322 1.00 0.00 O ATOM 800 OE2 GLU A 75 -8.833 -26.834 -14.240 1.00 0.00 O ATOM 0 H GLU A 75 -4.363 -24.894 -13.930 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.858 -24.935 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.990 -25.972 -11.792 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.637 -24.539 -12.737 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.708 -26.133 -14.555 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.420 -27.444 -13.635 1.00 0.00 H new ATOM 866 N ASN A 81 -9.060 -24.486 -7.287 1.00 0.00 N ATOM 867 CA ASN A 81 -7.736 -24.055 -6.785 1.00 0.00 C ATOM 868 C ASN A 81 -6.687 -24.194 -7.913 1.00 0.00 C ATOM 869 O ASN A 81 -6.514 -25.278 -8.496 1.00 0.00 O ATOM 870 CB ASN A 81 -7.348 -24.863 -5.512 1.00 0.00 C ATOM 871 CG ASN A 81 -7.316 -26.385 -5.710 1.00 0.00 C ATOM 872 OD1 ASN A 81 -8.344 -27.053 -5.634 1.00 0.00 O ATOM 873 ND2 ASN A 81 -6.138 -26.943 -5.953 1.00 0.00 N ATOM 0 HA ASN A 81 -7.774 -23.006 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.366 -24.533 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.056 -24.627 -4.718 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.069 -27.952 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.301 -26.363 -6.011 1.00 0.00 H new ATOM 880 N TRP A 82 -6.025 -23.065 -8.239 1.00 0.00 N ATOM 881 CA TRP A 82 -5.059 -22.962 -9.347 1.00 0.00 C ATOM 882 C TRP A 82 -3.782 -22.222 -8.920 1.00 0.00 C ATOM 883 O TRP A 82 -3.836 -21.203 -8.225 1.00 0.00 O ATOM 884 CB TRP A 82 -5.714 -22.299 -10.616 1.00 0.00 C ATOM 885 CG TRP A 82 -6.568 -21.068 -10.366 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.800 -21.045 -9.782 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.302 -19.707 -10.760 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.283 -19.767 -9.721 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.388 -18.927 -10.319 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.241 -19.070 -11.411 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.459 -17.552 -10.518 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.315 -17.696 -11.610 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.411 -16.957 -11.160 1.00 0.00 C ATOM 0 H TRP A 82 -6.149 -22.189 -7.732 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.766 -23.976 -9.620 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -4.918 -22.028 -11.310 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.330 -23.048 -11.114 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.323 -21.917 -9.417 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.168 -19.487 -9.298 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.384 -19.632 -11.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.309 -16.978 -10.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.510 -17.191 -12.122 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.430 -15.890 -11.324 1.00 0.00 H new ATOM 904 N ARG A 83 -2.637 -22.785 -9.345 1.00 0.00 N ATOM 905 CA ARG A 83 -1.304 -22.182 -9.195 1.00 0.00 C ATOM 906 C ARG A 83 -1.210 -20.892 -10.021 1.00 0.00 C ATOM 907 O ARG A 83 -1.672 -20.844 -11.167 1.00 0.00 O ATOM 908 CB ARG A 83 -0.219 -23.196 -9.673 1.00 0.00 C ATOM 909 CG ARG A 83 1.214 -22.627 -9.812 1.00 0.00 C ATOM 910 CD ARG A 83 1.819 -22.194 -8.472 1.00 0.00 C ATOM 911 NE ARG A 83 1.995 -23.347 -7.579 1.00 0.00 N ATOM 912 CZ ARG A 83 3.131 -24.038 -7.414 1.00 0.00 C ATOM 913 NH1 ARG A 83 4.252 -23.666 -8.009 1.00 0.00 N ATOM 914 NH2 ARG A 83 3.134 -25.107 -6.645 1.00 0.00 N ATOM 0 H ARG A 83 -2.614 -23.691 -9.812 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.138 -21.939 -8.146 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.193 -24.030 -8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.525 -23.600 -10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.856 -23.381 -10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.196 -21.773 -10.489 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.781 -21.711 -8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.171 -21.457 -7.997 1.00 0.00 H new ATOM 0 HE ARG A 83 1.184 -23.647 -7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.262 -22.839 -8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.106 -24.206 -7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.276 -25.403 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.995 -25.639 -6.514 1.00 0.00 H new ATOM 928 N VAL A 84 -0.622 -19.853 -9.419 1.00 0.00 N ATOM 929 CA VAL A 84 -0.324 -18.583 -10.086 1.00 0.00 C ATOM 930 C VAL A 84 1.189 -18.334 -9.981 1.00 0.00 C ATOM 931 O VAL A 84 1.712 -18.051 -8.889 1.00 0.00 O ATOM 932 CB VAL A 84 -1.121 -17.394 -9.428 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.959 -16.080 -10.225 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.615 -17.753 -9.227 1.00 0.00 C ATOM 0 H VAL A 84 -0.336 -19.872 -8.440 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.629 -18.638 -11.131 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.687 -17.227 -8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.525 -15.286 -9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.095 -15.805 -10.262 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.333 -16.221 -11.239 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.134 -16.910 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.068 -17.979 -10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.696 -18.624 -8.576 1.00 0.00 H new ATOM 944 N VAL A 85 1.888 -18.504 -11.110 1.00 0.00 N ATOM 945 CA VAL A 85 3.325 -18.208 -11.242 1.00 0.00 C ATOM 946 C VAL A 85 3.492 -16.810 -11.845 1.00 0.00 C ATOM 947 O VAL A 85 2.971 -16.541 -12.940 1.00 0.00 O ATOM 948 CB VAL A 85 4.061 -19.253 -12.158 1.00 0.00 C ATOM 949 CG1 VAL A 85 5.582 -18.946 -12.270 1.00 0.00 C ATOM 950 CG2 VAL A 85 3.812 -20.695 -11.662 1.00 0.00 C ATOM 0 H VAL A 85 1.468 -18.856 -11.971 1.00 0.00 H new ATOM 0 HA VAL A 85 3.771 -18.261 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 85 3.641 -19.167 -13.160 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.057 -19.689 -12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.722 -17.954 -12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.034 -18.980 -11.279 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.332 -21.398 -12.313 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.185 -20.799 -10.643 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.743 -20.906 -11.680 1.00 0.00 H new ATOM 960 N ALA A 86 4.231 -15.941 -11.143 1.00 0.00 N ATOM 961 CA ALA A 86 4.444 -14.553 -11.557 1.00 0.00 C ATOM 962 C ALA A 86 5.899 -14.139 -11.351 1.00 0.00 C ATOM 963 O ALA A 86 6.436 -14.285 -10.260 1.00 0.00 O ATOM 964 CB ALA A 86 3.504 -13.635 -10.774 1.00 0.00 C ATOM 0 H ALA A 86 4.698 -16.184 -10.270 1.00 0.00 H new ATOM 0 HA ALA A 86 4.223 -14.465 -12.621 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.663 -12.602 -11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.470 -13.918 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.707 -13.730 -9.707 1.00 0.00 H new ATOM 970 N ASP A 87 6.526 -13.648 -12.418 1.00 0.00 N ATOM 971 CA ASP A 87 7.874 -13.076 -12.377 1.00 0.00 C ATOM 972 C ASP A 87 7.814 -11.661 -11.775 1.00 0.00 C ATOM 973 O ASP A 87 6.839 -10.931 -11.981 1.00 0.00 O ATOM 974 CB ASP A 87 8.465 -13.061 -13.813 1.00 0.00 C ATOM 975 CG ASP A 87 8.757 -14.469 -14.384 1.00 0.00 C ATOM 976 OD1 ASP A 87 7.837 -15.305 -14.415 1.00 0.00 O ATOM 977 OD2 ASP A 87 9.906 -14.745 -14.800 1.00 0.00 O ATOM 0 H ASP A 87 6.108 -13.635 -13.348 1.00 0.00 H new ATOM 0 HA ASP A 87 8.524 -13.682 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.769 -12.547 -14.477 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.389 -12.482 -13.810 1.00 0.00 H new ATOM 982 N VAL A 88 8.850 -11.296 -11.008 1.00 0.00 N ATOM 983 CA VAL A 88 8.919 -10.005 -10.304 1.00 0.00 C ATOM 984 C VAL A 88 10.087 -9.161 -10.853 1.00 0.00 C ATOM 985 O VAL A 88 11.199 -9.668 -11.044 1.00 0.00 O ATOM 986 CB VAL A 88 9.028 -10.223 -8.748 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.732 -10.854 -8.184 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.252 -11.089 -8.366 1.00 0.00 C ATOM 0 H VAL A 88 9.667 -11.888 -10.857 1.00 0.00 H new ATOM 0 HA VAL A 88 7.998 -9.452 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 88 9.165 -9.239 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.834 -10.994 -7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.888 -10.194 -8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.560 -11.819 -8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.287 -11.213 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.168 -12.067 -8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.165 -10.598 -8.704 1.00 0.00 H new ATOM 998 N TYR A 89 9.817 -7.868 -11.111 1.00 0.00 N ATOM 999 CA TYR A 89 10.705 -6.985 -11.890 1.00 0.00 C ATOM 1000 C TYR A 89 11.071 -5.737 -11.077 1.00 0.00 C ATOM 1001 O TYR A 89 10.280 -5.273 -10.253 1.00 0.00 O ATOM 1002 CB TYR A 89 10.000 -6.549 -13.206 1.00 0.00 C ATOM 1003 CG TYR A 89 9.541 -7.707 -14.105 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.317 -8.349 -13.883 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.318 -8.156 -15.176 1.00 0.00 C ATOM 1006 CE1 TYR A 89 7.895 -9.386 -14.687 1.00 0.00 C ATOM 1007 CE2 TYR A 89 9.891 -9.193 -15.982 1.00 0.00 C ATOM 1008 CZ TYR A 89 8.683 -9.806 -15.734 1.00 0.00 C ATOM 1009 OH TYR A 89 8.265 -10.849 -16.534 1.00 0.00 O ATOM 0 H TYR A 89 8.971 -7.403 -10.782 1.00 0.00 H new ATOM 0 HA TYR A 89 11.615 -7.537 -12.126 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.133 -5.939 -12.952 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.681 -5.915 -13.774 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.691 -8.025 -13.065 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.268 -7.684 -15.377 1.00 0.00 H new ATOM 0 HE1 TYR A 89 6.948 -9.868 -14.496 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.505 -9.523 -16.807 1.00 0.00 H new ATOM 0 HH TYR A 89 8.937 -11.019 -17.227 1.00 0.00 H new ATOM 1019 N LYS A 90 12.258 -5.180 -11.351 1.00 0.00 N ATOM 1020 CA LYS A 90 12.761 -3.960 -10.687 1.00 0.00 C ATOM 1021 C LYS A 90 12.377 -2.697 -11.496 1.00 0.00 C ATOM 1022 O LYS A 90 11.681 -2.790 -12.521 1.00 0.00 O ATOM 1023 CB LYS A 90 14.303 -4.069 -10.522 1.00 0.00 C ATOM 1024 CG LYS A 90 14.770 -5.278 -9.676 1.00 0.00 C ATOM 1025 CD LYS A 90 14.282 -5.223 -8.201 1.00 0.00 C ATOM 1026 CE LYS A 90 14.941 -4.097 -7.381 1.00 0.00 C ATOM 1027 NZ LYS A 90 16.415 -4.261 -7.280 1.00 0.00 N ATOM 0 H LYS A 90 12.903 -5.562 -12.043 1.00 0.00 H new ATOM 0 HA LYS A 90 12.302 -3.869 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.758 -4.135 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.673 -3.153 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.407 -6.197 -10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.859 -5.323 -9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.201 -5.087 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.488 -6.180 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.715 -3.135 -7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.510 -4.080 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.793 -3.585 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.636 -5.230 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.849 -4.083 -8.208 1.00 0.00 H new ATOM 1041 N ALA A 91 12.812 -1.520 -11.006 1.00 0.00 N ATOM 1042 CA ALA A 91 12.622 -0.225 -11.689 1.00 0.00 C ATOM 1043 C ALA A 91 13.902 0.127 -12.486 1.00 0.00 C ATOM 1044 O ALA A 91 14.911 0.524 -11.862 1.00 0.00 O ATOM 1045 CB ALA A 91 12.277 0.864 -10.655 1.00 0.00 C ATOM 1046 OXT ALA A 91 13.908 -0.030 -13.724 1.00 0.00 O ATOM 0 H ALA A 91 13.309 -1.440 -10.119 1.00 0.00 H new ATOM 0 HA ALA A 91 11.791 -0.290 -12.392 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.138 1.818 -11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.359 0.593 -10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.090 0.952 -9.935 1.00 0.00 H new