USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 149:sc= 0.415 (180deg=0.125) USER MOD Single : A 31 THR OG1 : rot 26:sc= 0.263 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.19 K(o=-0.19,f=-3.7!) USER MOD Single : A 43 TYR OH : rot -175:sc= 0.593 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= 1.24 (180deg=0.746) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -0.0106 (180deg=-0.928) USER MOD Single : A 49 MET CE :methyl -178:sc= -1.53 (180deg=-1.57) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 130:sc= 0.0471 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.567) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 28:sc= 0.267 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.396 K(o=-0.4,f=-4.7!) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.438 K(o=0.44,f=-6!) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl -178:sc= -0.842 (180deg=-0.846) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -142:sc= 0.943 (180deg=0.248) USER MOD Single : B 64 TYR OH : rot 30:sc= -0.112 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00214) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -7.974 13.404 -13.898 1.00 0.00 N ATOM 2 CA THR A 31 -7.410 12.053 -13.729 1.00 0.00 C ATOM 3 C THR A 31 -6.740 11.900 -12.355 1.00 0.00 C ATOM 4 O THR A 31 -6.258 12.881 -11.779 1.00 0.00 O ATOM 5 CB THR A 31 -6.364 11.744 -14.825 1.00 0.00 C ATOM 6 OG1 THR A 31 -6.740 12.242 -16.095 1.00 0.00 O ATOM 7 CG2 THR A 31 -6.076 10.253 -15.000 1.00 0.00 C ATOM 0 HA THR A 31 -8.240 11.351 -13.810 1.00 0.00 H new ATOM 0 HB THR A 31 -5.467 12.248 -14.464 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.335 13.012 -15.981 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.333 10.116 -15.786 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.695 9.844 -14.064 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.995 9.735 -15.275 1.00 0.00 H new ATOM 15 N ARG A 32 -6.681 10.681 -11.810 1.00 0.00 N ATOM 16 CA ARG A 32 -6.185 10.397 -10.462 1.00 0.00 C ATOM 17 C ARG A 32 -4.710 9.948 -10.492 1.00 0.00 C ATOM 18 O ARG A 32 -4.382 8.760 -10.441 1.00 0.00 O ATOM 19 CB ARG A 32 -7.138 9.409 -9.759 1.00 0.00 C ATOM 20 CG ARG A 32 -7.169 9.647 -8.246 1.00 0.00 C ATOM 21 CD ARG A 32 -7.993 10.887 -7.858 1.00 0.00 C ATOM 22 NE ARG A 32 -9.396 10.537 -7.553 1.00 0.00 N ATOM 23 CZ ARG A 32 -9.848 9.990 -6.437 1.00 0.00 C ATOM 24 NH1 ARG A 32 -9.087 9.775 -5.402 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.089 9.623 -6.335 1.00 0.00 N ATOM 0 H ARG A 32 -6.985 9.844 -12.308 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.185 11.308 -9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.143 9.517 -10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.820 8.386 -9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.586 8.769 -7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.149 9.764 -7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.541 11.368 -6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.967 11.611 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.086 10.738 -8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.100 10.031 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.478 9.350 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.726 9.755 -7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.427 9.202 -5.469 1.00 0.00 H new ATOM 39 N ALA A 33 -3.815 10.926 -10.644 1.00 0.00 N ATOM 40 CA ALA A 33 -2.366 10.727 -10.612 1.00 0.00 C ATOM 41 C ALA A 33 -1.877 10.062 -9.302 1.00 0.00 C ATOM 42 O ALA A 33 -2.331 10.415 -8.210 1.00 0.00 O ATOM 43 CB ALA A 33 -1.688 12.086 -10.818 1.00 0.00 C ATOM 0 H ALA A 33 -4.083 11.898 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.096 10.038 -11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.606 11.959 -10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.987 12.499 -11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.989 12.767 -10.022 1.00 0.00 H new ATOM 49 N VAL A 34 -0.921 9.134 -9.408 1.00 0.00 N ATOM 50 CA VAL A 34 -0.294 8.398 -8.296 1.00 0.00 C ATOM 51 C VAL A 34 1.174 8.144 -8.610 1.00 0.00 C ATOM 52 O VAL A 34 1.501 7.341 -9.475 1.00 0.00 O ATOM 53 CB VAL A 34 -0.996 7.058 -7.984 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.232 6.275 -6.907 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.419 7.271 -7.453 1.00 0.00 C ATOM 0 H VAL A 34 -0.542 8.859 -10.314 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.392 9.023 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.023 6.506 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.747 5.336 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.779 6.067 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.185 6.866 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.878 6.305 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.381 7.859 -6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.010 7.801 -8.200 1.00 0.00 H new ATOM 65 N SER A 35 2.050 8.823 -7.884 1.00 0.00 N ATOM 66 CA SER A 35 3.507 8.788 -8.042 1.00 0.00 C ATOM 67 C SER A 35 4.195 8.180 -6.812 1.00 0.00 C ATOM 68 O SER A 35 3.980 8.629 -5.681 1.00 0.00 O ATOM 69 CB SER A 35 4.018 10.201 -8.316 1.00 0.00 C ATOM 70 OG SER A 35 5.418 10.197 -8.544 1.00 0.00 O ATOM 0 H SER A 35 1.756 9.445 -7.131 1.00 0.00 H new ATOM 0 HA SER A 35 3.752 8.147 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.505 10.616 -9.184 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.785 10.847 -7.469 1.00 0.00 H new ATOM 0 HG SER A 35 5.724 11.112 -8.719 1.00 0.00 H new ATOM 76 N LEU A 36 4.986 7.126 -7.032 1.00 0.00 N ATOM 77 CA LEU A 36 5.500 6.224 -5.999 1.00 0.00 C ATOM 78 C LEU A 36 6.999 5.917 -6.158 1.00 0.00 C ATOM 79 O LEU A 36 7.605 6.136 -7.211 1.00 0.00 O ATOM 80 CB LEU A 36 4.667 4.925 -6.013 1.00 0.00 C ATOM 81 CG LEU A 36 3.184 5.123 -5.651 1.00 0.00 C ATOM 82 CD1 LEU A 36 2.430 3.816 -5.855 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.986 5.565 -4.201 1.00 0.00 C ATOM 0 H LEU A 36 5.297 6.869 -7.969 1.00 0.00 H new ATOM 0 HA LEU A 36 5.401 6.725 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.731 4.476 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.109 4.216 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 36 2.803 5.909 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.380 3.958 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.510 3.509 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.859 3.045 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.922 5.689 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.395 4.809 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.499 6.512 -4.036 1.00 0.00 H new ATOM 95 N TYR A 37 7.571 5.371 -5.084 1.00 0.00 N ATOM 96 CA TYR A 37 9.004 5.324 -4.798 1.00 0.00 C ATOM 97 C TYR A 37 9.483 3.873 -4.678 1.00 0.00 C ATOM 98 O TYR A 37 9.412 3.235 -3.624 1.00 0.00 O ATOM 99 CB TYR A 37 9.294 6.185 -3.561 1.00 0.00 C ATOM 100 CG TYR A 37 9.138 7.668 -3.844 1.00 0.00 C ATOM 101 CD1 TYR A 37 10.218 8.387 -4.389 1.00 0.00 C ATOM 102 CD2 TYR A 37 7.907 8.321 -3.630 1.00 0.00 C ATOM 103 CE1 TYR A 37 10.078 9.749 -4.703 1.00 0.00 C ATOM 104 CE2 TYR A 37 7.762 9.682 -3.963 1.00 0.00 C ATOM 105 CZ TYR A 37 8.850 10.398 -4.492 1.00 0.00 C ATOM 106 OH TYR A 37 8.720 11.717 -4.809 1.00 0.00 O ATOM 0 H TYR A 37 7.017 4.926 -4.352 1.00 0.00 H new ATOM 0 HA TYR A 37 9.577 5.747 -5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.619 5.898 -2.755 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.308 5.988 -3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.160 7.889 -4.567 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.074 7.777 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.916 10.298 -5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.814 10.176 -3.812 1.00 0.00 H new ATOM 0 HH TYR A 37 7.809 12.015 -4.604 1.00 0.00 H new ATOM 116 N PHE A 38 9.874 3.346 -5.830 1.00 0.00 N ATOM 117 CA PHE A 38 10.292 1.979 -6.117 1.00 0.00 C ATOM 118 C PHE A 38 11.832 1.819 -6.094 1.00 0.00 C ATOM 119 O PHE A 38 12.569 2.788 -5.879 1.00 0.00 O ATOM 120 CB PHE A 38 9.721 1.664 -7.511 1.00 0.00 C ATOM 121 CG PHE A 38 8.330 1.055 -7.511 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.213 1.802 -7.086 1.00 0.00 C ATOM 123 CD2 PHE A 38 8.145 -0.253 -7.998 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.921 1.249 -7.162 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.858 -0.813 -8.053 1.00 0.00 C ATOM 126 CZ PHE A 38 5.744 -0.061 -7.641 1.00 0.00 C ATOM 0 H PHE A 38 9.910 3.922 -6.671 1.00 0.00 H new ATOM 0 HA PHE A 38 9.923 1.290 -5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.699 2.584 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.401 0.980 -8.020 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.349 2.802 -6.701 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.996 -0.828 -8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.065 1.831 -6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.724 -1.823 -8.412 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.754 -0.489 -7.692 1.00 0.00 H new ATOM 136 N SER A 39 12.326 0.613 -6.391 1.00 0.00 N ATOM 137 CA SER A 39 13.757 0.328 -6.561 1.00 0.00 C ATOM 138 C SER A 39 14.038 -0.607 -7.743 1.00 0.00 C ATOM 139 O SER A 39 13.117 -1.169 -8.343 1.00 0.00 O ATOM 140 CB SER A 39 14.365 -0.219 -5.255 1.00 0.00 C ATOM 141 OG SER A 39 14.177 0.665 -4.158 1.00 0.00 O ATOM 0 H SER A 39 11.734 -0.207 -6.523 1.00 0.00 H new ATOM 0 HA SER A 39 14.244 1.274 -6.797 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.913 -1.183 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.431 -0.393 -5.399 1.00 0.00 H new ATOM 0 HG SER A 39 14.577 0.276 -3.352 1.00 0.00 H new ATOM 147 N ASP A 40 15.318 -0.700 -8.122 1.00 0.00 N ATOM 148 CA ASP A 40 15.803 -1.255 -9.395 1.00 0.00 C ATOM 149 C ASP A 40 15.198 -2.618 -9.742 1.00 0.00 C ATOM 150 O ASP A 40 14.585 -2.753 -10.796 1.00 0.00 O ATOM 151 CB ASP A 40 17.342 -1.313 -9.368 1.00 0.00 C ATOM 152 CG ASP A 40 17.996 0.074 -9.183 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.966 0.603 -8.046 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.538 0.632 -10.170 1.00 0.00 O ATOM 0 H ASP A 40 16.079 -0.377 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 40 15.471 -0.588 -10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.661 -1.970 -8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.700 -1.756 -10.298 1.00 0.00 H new ATOM 159 N GLU A 41 15.266 -3.594 -8.828 1.00 0.00 N ATOM 160 CA GLU A 41 14.654 -4.932 -8.975 1.00 0.00 C ATOM 161 C GLU A 41 13.163 -4.878 -9.262 1.00 0.00 C ATOM 162 O GLU A 41 12.700 -5.457 -10.243 1.00 0.00 O ATOM 163 CB GLU A 41 14.832 -5.714 -7.676 1.00 0.00 C ATOM 164 CG GLU A 41 16.283 -6.102 -7.434 1.00 0.00 C ATOM 165 CD GLU A 41 16.652 -7.419 -8.116 1.00 0.00 C ATOM 166 OE1 GLU A 41 15.859 -8.387 -8.050 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.750 -7.483 -8.714 1.00 0.00 O ATOM 0 H GLU A 41 15.759 -3.478 -7.942 1.00 0.00 H new ATOM 0 HA GLU A 41 15.154 -5.407 -9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.474 -5.113 -6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.217 -6.614 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.935 -5.310 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.460 -6.188 -6.362 1.00 0.00 H new ATOM 174 N GLN A 42 12.419 -4.165 -8.420 1.00 0.00 N ATOM 175 CA GLN A 42 10.962 -4.013 -8.533 1.00 0.00 C ATOM 176 C GLN A 42 10.556 -3.370 -9.872 1.00 0.00 C ATOM 177 O GLN A 42 9.580 -3.788 -10.496 1.00 0.00 O ATOM 178 CB GLN A 42 10.385 -3.214 -7.350 1.00 0.00 C ATOM 179 CG GLN A 42 10.474 -3.938 -5.995 1.00 0.00 C ATOM 180 CD GLN A 42 11.880 -4.099 -5.452 1.00 0.00 C ATOM 181 OE1 GLN A 42 12.766 -3.292 -5.695 1.00 0.00 O ATOM 182 NE2 GLN A 42 12.134 -5.157 -4.715 1.00 0.00 N ATOM 0 H GLN A 42 12.815 -3.666 -7.624 1.00 0.00 H new ATOM 0 HA GLN A 42 10.537 -5.016 -8.504 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.913 -2.263 -7.276 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.340 -2.983 -7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.879 -3.389 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.023 -4.925 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.393 -5.828 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.072 -5.307 -4.344 1.00 0.00 H new ATOM 191 N TYR A 43 11.344 -2.405 -10.357 1.00 0.00 N ATOM 192 CA TYR A 43 11.173 -1.797 -11.683 1.00 0.00 C ATOM 193 C TYR A 43 11.508 -2.768 -12.825 1.00 0.00 C ATOM 194 O TYR A 43 10.728 -2.947 -13.759 1.00 0.00 O ATOM 195 CB TYR A 43 12.078 -0.562 -11.793 1.00 0.00 C ATOM 196 CG TYR A 43 11.399 0.620 -12.449 1.00 0.00 C ATOM 197 CD1 TYR A 43 11.249 0.682 -13.848 1.00 0.00 C ATOM 198 CD2 TYR A 43 10.892 1.653 -11.646 1.00 0.00 C ATOM 199 CE1 TYR A 43 10.593 1.782 -14.437 1.00 0.00 C ATOM 200 CE2 TYR A 43 10.275 2.765 -12.241 1.00 0.00 C ATOM 201 CZ TYR A 43 10.109 2.826 -13.632 1.00 0.00 C ATOM 202 OH TYR A 43 9.502 3.902 -14.202 1.00 0.00 O ATOM 0 H TYR A 43 12.129 -2.018 -9.834 1.00 0.00 H new ATOM 0 HA TYR A 43 10.123 -1.522 -11.783 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.411 -0.274 -10.796 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.969 -0.823 -12.363 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.636 -0.112 -14.469 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.976 1.593 -10.571 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.463 1.822 -15.508 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.926 3.579 -11.623 1.00 0.00 H new ATOM 0 HH TYR A 43 9.298 4.566 -13.511 1.00 0.00 H new ATOM 212 N GLN A 44 12.671 -3.413 -12.742 1.00 0.00 N ATOM 213 CA GLN A 44 13.214 -4.303 -13.779 1.00 0.00 C ATOM 214 C GLN A 44 12.388 -5.580 -13.967 1.00 0.00 C ATOM 215 O GLN A 44 12.248 -6.063 -15.086 1.00 0.00 O ATOM 216 CB GLN A 44 14.681 -4.681 -13.504 1.00 0.00 C ATOM 217 CG GLN A 44 15.696 -3.806 -14.255 1.00 0.00 C ATOM 218 CD GLN A 44 15.852 -2.409 -13.691 1.00 0.00 C ATOM 219 OE1 GLN A 44 16.786 -2.121 -12.954 1.00 0.00 O ATOM 220 NE2 GLN A 44 14.987 -1.486 -14.059 1.00 0.00 N ATOM 0 H GLN A 44 13.282 -3.331 -11.930 1.00 0.00 H new ATOM 0 HA GLN A 44 13.160 -3.728 -14.703 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.872 -4.606 -12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.837 -5.723 -13.783 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.667 -4.302 -14.240 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.392 -3.732 -15.299 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.210 -1.731 -14.673 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.094 -0.527 -13.730 1.00 0.00 H new ATOM 229 N LYS A 45 11.793 -6.111 -12.904 1.00 0.00 N ATOM 230 CA LYS A 45 10.823 -7.194 -12.959 1.00 0.00 C ATOM 231 C LYS A 45 9.551 -6.797 -13.739 1.00 0.00 C ATOM 232 O LYS A 45 9.039 -7.593 -14.528 1.00 0.00 O ATOM 233 CB LYS A 45 10.537 -7.588 -11.508 1.00 0.00 C ATOM 234 CG LYS A 45 11.622 -8.529 -10.948 1.00 0.00 C ATOM 235 CD LYS A 45 11.557 -8.642 -9.414 1.00 0.00 C ATOM 236 CE LYS A 45 12.322 -9.850 -8.854 1.00 0.00 C ATOM 237 NZ LYS A 45 13.756 -9.889 -9.210 1.00 0.00 N ATOM 0 H LYS A 45 11.979 -5.789 -11.954 1.00 0.00 H new ATOM 0 HA LYS A 45 11.218 -8.047 -13.510 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.480 -6.691 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.565 -8.077 -11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.505 -9.519 -11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.606 -8.163 -11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.961 -7.731 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.513 -8.709 -9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.231 -9.850 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.847 -10.763 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.082 -10.876 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.893 -9.459 -10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.304 -9.359 -8.503 1.00 0.00 H new ATOM 251 N LEU A 46 9.084 -5.548 -13.606 1.00 0.00 N ATOM 252 CA LEU A 46 7.981 -5.022 -14.430 1.00 0.00 C ATOM 253 C LEU A 46 8.384 -4.670 -15.871 1.00 0.00 C ATOM 254 O LEU A 46 7.624 -4.925 -16.804 1.00 0.00 O ATOM 255 CB LEU A 46 7.297 -3.858 -13.689 1.00 0.00 C ATOM 256 CG LEU A 46 5.933 -4.337 -13.175 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.403 -3.454 -12.052 1.00 0.00 C ATOM 258 CD2 LEU A 46 4.905 -4.380 -14.311 1.00 0.00 C ATOM 0 H LEU A 46 9.454 -4.878 -12.932 1.00 0.00 H new ATOM 0 HA LEU A 46 7.256 -5.825 -14.561 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.917 -3.522 -12.858 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.171 -3.006 -14.357 1.00 0.00 H new ATOM 0 HG LEU A 46 6.084 -5.342 -12.780 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.436 -3.830 -11.719 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.104 -3.467 -11.217 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.290 -2.433 -12.415 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.946 -4.723 -13.921 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.789 -3.382 -14.735 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.248 -5.066 -15.086 1.00 0.00 H new ATOM 270 N GLU A 47 9.605 -4.186 -16.080 1.00 0.00 N ATOM 271 CA GLU A 47 10.199 -3.988 -17.417 1.00 0.00 C ATOM 272 C GLU A 47 10.396 -5.298 -18.187 1.00 0.00 C ATOM 273 O GLU A 47 10.086 -5.375 -19.375 1.00 0.00 O ATOM 274 CB GLU A 47 11.517 -3.221 -17.278 1.00 0.00 C ATOM 275 CG GLU A 47 12.146 -2.871 -18.618 1.00 0.00 C ATOM 276 CD GLU A 47 13.422 -2.072 -18.390 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.474 -2.697 -18.128 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.369 -0.825 -18.476 1.00 0.00 O ATOM 0 H GLU A 47 10.227 -3.913 -15.319 1.00 0.00 H new ATOM 0 HA GLU A 47 9.495 -3.403 -18.009 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.340 -2.304 -16.716 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.220 -3.820 -16.698 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.369 -3.781 -19.175 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.445 -2.292 -19.220 1.00 0.00 H new ATOM 285 N LYS A 48 10.829 -6.357 -17.508 1.00 0.00 N ATOM 286 CA LYS A 48 10.986 -7.694 -18.082 1.00 0.00 C ATOM 287 C LYS A 48 9.636 -8.295 -18.521 1.00 0.00 C ATOM 288 O LYS A 48 9.550 -8.915 -19.582 1.00 0.00 O ATOM 289 CB LYS A 48 11.725 -8.595 -17.076 1.00 0.00 C ATOM 290 CG LYS A 48 12.047 -9.986 -17.653 1.00 0.00 C ATOM 291 CD LYS A 48 12.844 -10.901 -16.702 1.00 0.00 C ATOM 292 CE LYS A 48 14.361 -10.644 -16.667 1.00 0.00 C ATOM 293 NZ LYS A 48 14.749 -9.491 -15.825 1.00 0.00 N ATOM 0 H LYS A 48 11.086 -6.310 -16.522 1.00 0.00 H new ATOM 0 HA LYS A 48 11.586 -7.621 -18.989 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.652 -8.109 -16.771 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.115 -8.710 -16.180 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.113 -10.482 -17.916 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.613 -9.861 -18.576 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.448 -10.783 -15.693 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.673 -11.938 -16.993 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.864 -11.538 -16.298 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.716 -10.476 -17.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.711 -9.637 -15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.724 -8.621 -16.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.085 -9.403 -15.030 1.00 0.00 H new ATOM 307 N MET A 49 8.563 -8.055 -17.760 1.00 0.00 N ATOM 308 CA MET A 49 7.204 -8.388 -18.154 1.00 0.00 C ATOM 309 C MET A 49 6.726 -7.525 -19.332 1.00 0.00 C ATOM 310 O MET A 49 6.175 -8.039 -20.303 1.00 0.00 O ATOM 311 CB MET A 49 6.293 -8.145 -16.955 1.00 0.00 C ATOM 312 CG MET A 49 6.212 -9.316 -15.975 1.00 0.00 C ATOM 313 SD MET A 49 4.608 -9.434 -15.133 1.00 0.00 S ATOM 314 CE MET A 49 4.510 -7.770 -14.425 1.00 0.00 C ATOM 0 H MET A 49 8.623 -7.617 -16.841 1.00 0.00 H new ATOM 0 HA MET A 49 7.175 -9.430 -18.473 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.645 -7.263 -16.420 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.290 -7.920 -17.316 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.402 -10.245 -16.512 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.000 -9.212 -15.229 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.596 -7.677 -13.839 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.373 -7.597 -13.782 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.502 -7.033 -15.228 1.00 0.00 H new ATOM 324 N ALA A 50 6.998 -6.221 -19.297 1.00 0.00 N ATOM 325 CA ALA A 50 6.644 -5.296 -20.370 1.00 0.00 C ATOM 326 C ALA A 50 7.286 -5.650 -21.719 1.00 0.00 C ATOM 327 O ALA A 50 6.636 -5.522 -22.752 1.00 0.00 O ATOM 328 CB ALA A 50 6.979 -3.878 -19.914 1.00 0.00 C ATOM 0 H ALA A 50 7.475 -5.774 -18.514 1.00 0.00 H new ATOM 0 HA ALA A 50 5.573 -5.375 -20.558 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.721 -3.172 -20.703 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.410 -3.641 -19.015 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.045 -3.808 -19.698 1.00 0.00 H new ATOM 334 N ASN A 51 8.509 -6.176 -21.739 1.00 0.00 N ATOM 335 CA ASN A 51 9.150 -6.678 -22.960 1.00 0.00 C ATOM 336 C ASN A 51 8.400 -7.867 -23.621 1.00 0.00 C ATOM 337 O ASN A 51 8.496 -8.053 -24.835 1.00 0.00 O ATOM 338 CB ASN A 51 10.606 -7.004 -22.622 1.00 0.00 C ATOM 339 CG ASN A 51 11.409 -7.428 -23.844 1.00 0.00 C ATOM 340 OD1 ASN A 51 11.588 -6.668 -24.788 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.924 -8.641 -23.860 1.00 0.00 N ATOM 0 H ASN A 51 9.089 -6.268 -20.905 1.00 0.00 H new ATOM 0 HA ASN A 51 9.111 -5.902 -23.725 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.075 -6.130 -22.169 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.633 -7.801 -21.879 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.475 -8.951 -24.661 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.772 -9.270 -23.072 1.00 0.00 H new ATOM 348 N GLU A 52 7.596 -8.628 -22.863 1.00 0.00 N ATOM 349 CA GLU A 52 6.641 -9.636 -23.377 1.00 0.00 C ATOM 350 C GLU A 52 5.505 -8.999 -24.188 1.00 0.00 C ATOM 351 O GLU A 52 5.133 -9.494 -25.253 1.00 0.00 O ATOM 352 CB GLU A 52 6.043 -10.452 -22.216 1.00 0.00 C ATOM 353 CG GLU A 52 5.650 -11.887 -22.561 1.00 0.00 C ATOM 354 CD GLU A 52 4.422 -12.000 -23.458 1.00 0.00 C ATOM 355 OE1 GLU A 52 3.350 -11.479 -23.080 1.00 0.00 O ATOM 356 OE2 GLU A 52 4.519 -12.677 -24.508 1.00 0.00 O ATOM 0 H GLU A 52 7.588 -8.561 -21.845 1.00 0.00 H new ATOM 0 HA GLU A 52 7.202 -10.293 -24.041 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.766 -10.477 -21.401 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.161 -9.931 -21.844 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.492 -12.374 -23.053 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.462 -12.433 -21.636 1.00 0.00 H new ATOM 363 N GLU A 53 5.020 -7.841 -23.721 1.00 0.00 N ATOM 364 CA GLU A 53 4.061 -6.943 -24.407 1.00 0.00 C ATOM 365 C GLU A 53 4.707 -6.070 -25.494 1.00 0.00 C ATOM 366 O GLU A 53 4.009 -5.363 -26.222 1.00 0.00 O ATOM 367 CB GLU A 53 3.362 -6.037 -23.371 1.00 0.00 C ATOM 368 CG GLU A 53 1.880 -6.390 -23.225 1.00 0.00 C ATOM 369 CD GLU A 53 1.161 -5.465 -22.246 1.00 0.00 C ATOM 370 OE1 GLU A 53 1.295 -4.227 -22.374 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.411 -5.982 -21.388 1.00 0.00 O ATOM 0 H GLU A 53 5.296 -7.480 -22.808 1.00 0.00 H new ATOM 0 HA GLU A 53 3.339 -7.588 -24.908 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.858 -6.137 -22.405 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.461 -4.994 -23.673 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.396 -6.331 -24.200 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.786 -7.421 -22.884 1.00 0.00 H new ATOM 378 N GLU A 54 6.038 -6.149 -25.614 1.00 0.00 N ATOM 379 CA GLU A 54 6.922 -5.423 -26.552 1.00 0.00 C ATOM 380 C GLU A 54 7.169 -3.960 -26.140 1.00 0.00 C ATOM 381 O GLU A 54 7.224 -3.051 -26.968 1.00 0.00 O ATOM 382 CB GLU A 54 6.480 -5.608 -28.017 1.00 0.00 C ATOM 383 CG GLU A 54 7.675 -5.576 -28.968 1.00 0.00 C ATOM 384 CD GLU A 54 7.202 -5.723 -30.409 1.00 0.00 C ATOM 385 OE1 GLU A 54 7.097 -6.875 -30.887 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.952 -4.688 -31.066 1.00 0.00 O ATOM 0 H GLU A 54 6.575 -6.772 -25.011 1.00 0.00 H new ATOM 0 HA GLU A 54 7.907 -5.885 -26.486 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.954 -6.557 -28.123 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.776 -4.821 -28.288 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.219 -4.639 -28.849 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.368 -6.380 -28.721 1.00 0.00 H new ATOM 393 N GLU A 55 7.319 -3.768 -24.822 1.00 0.00 N ATOM 394 CA GLU A 55 7.614 -2.524 -24.071 1.00 0.00 C ATOM 395 C GLU A 55 6.396 -1.615 -23.870 1.00 0.00 C ATOM 396 O GLU A 55 5.873 -0.999 -24.798 1.00 0.00 O ATOM 397 CB GLU A 55 8.811 -1.756 -24.655 1.00 0.00 C ATOM 398 CG GLU A 55 9.346 -0.701 -23.687 1.00 0.00 C ATOM 399 CD GLU A 55 10.522 0.029 -24.324 1.00 0.00 C ATOM 400 OE1 GLU A 55 11.667 -0.456 -24.193 1.00 0.00 O ATOM 401 OE2 GLU A 55 10.298 1.094 -24.943 1.00 0.00 O ATOM 0 H GLU A 55 7.229 -4.558 -24.183 1.00 0.00 H new ATOM 0 HA GLU A 55 7.898 -2.859 -23.073 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.607 -2.459 -24.900 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.513 -1.275 -25.586 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.558 0.009 -23.435 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.659 -1.173 -22.756 1.00 0.00 H new ATOM 408 N SER A 56 5.968 -1.530 -22.612 1.00 0.00 N ATOM 409 CA SER A 56 4.811 -0.770 -22.114 1.00 0.00 C ATOM 410 C SER A 56 4.981 -0.405 -20.619 1.00 0.00 C ATOM 411 O SER A 56 4.012 -0.281 -19.859 1.00 0.00 O ATOM 412 CB SER A 56 3.528 -1.583 -22.353 1.00 0.00 C ATOM 413 OG SER A 56 3.584 -2.842 -21.712 1.00 0.00 O ATOM 0 H SER A 56 6.449 -2.021 -21.859 1.00 0.00 H new ATOM 0 HA SER A 56 4.739 0.170 -22.661 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.668 -1.024 -21.984 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.380 -1.725 -23.424 1.00 0.00 H new ATOM 0 HG SER A 56 2.768 -2.978 -21.187 1.00 0.00 H new ATOM 419 N VAL A 57 6.238 -0.287 -20.162 1.00 0.00 N ATOM 420 CA VAL A 57 6.603 -0.056 -18.749 1.00 0.00 C ATOM 421 C VAL A 57 5.887 1.195 -18.208 1.00 0.00 C ATOM 422 O VAL A 57 5.865 2.239 -18.863 1.00 0.00 O ATOM 423 CB VAL A 57 8.127 0.128 -18.528 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.514 -0.364 -17.125 1.00 0.00 C ATOM 425 CG2 VAL A 57 9.016 -0.610 -19.536 1.00 0.00 C ATOM 0 H VAL A 57 7.050 -0.351 -20.776 1.00 0.00 H new ATOM 0 HA VAL A 57 6.290 -0.953 -18.214 1.00 0.00 H new ATOM 0 HB VAL A 57 8.302 1.196 -18.660 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.586 -0.232 -16.976 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.970 0.210 -16.375 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.261 -1.420 -17.027 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.064 -0.423 -19.302 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.818 -1.680 -19.481 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.799 -0.252 -20.543 1.00 0.00 H new ATOM 435 N GLY A 58 5.254 1.084 -17.040 1.00 0.00 N ATOM 436 CA GLY A 58 4.373 2.117 -16.461 1.00 0.00 C ATOM 437 C GLY A 58 2.888 1.796 -16.665 1.00 0.00 C ATOM 438 O GLY A 58 2.105 1.799 -15.716 1.00 0.00 O ATOM 0 H GLY A 58 5.337 0.256 -16.450 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.579 2.211 -15.395 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.600 3.081 -16.916 1.00 0.00 H new ATOM 442 N SER A 59 2.518 1.403 -17.885 1.00 0.00 N ATOM 443 CA SER A 59 1.165 0.936 -18.213 1.00 0.00 C ATOM 444 C SER A 59 0.929 -0.515 -17.771 1.00 0.00 C ATOM 445 O SER A 59 -0.106 -0.815 -17.172 1.00 0.00 O ATOM 446 CB SER A 59 0.932 1.064 -19.720 1.00 0.00 C ATOM 447 OG SER A 59 -0.439 0.880 -20.032 1.00 0.00 O ATOM 0 H SER A 59 3.154 1.399 -18.683 1.00 0.00 H new ATOM 0 HA SER A 59 0.457 1.561 -17.668 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.259 2.046 -20.062 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.533 0.325 -20.250 1.00 0.00 H new ATOM 0 HG SER A 59 -0.569 0.967 -20.999 1.00 0.00 H new ATOM 453 N TYR A 60 1.918 -1.404 -17.957 1.00 0.00 N ATOM 454 CA TYR A 60 1.852 -2.804 -17.490 1.00 0.00 C ATOM 455 C TYR A 60 1.583 -2.894 -15.976 1.00 0.00 C ATOM 456 O TYR A 60 0.788 -3.709 -15.515 1.00 0.00 O ATOM 457 CB TYR A 60 3.160 -3.533 -17.843 1.00 0.00 C ATOM 458 CG TYR A 60 3.019 -5.031 -18.080 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.713 -5.913 -17.023 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.213 -5.556 -19.371 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.597 -7.296 -17.266 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.127 -6.942 -19.602 1.00 0.00 C ATOM 463 CZ TYR A 60 2.811 -7.811 -18.553 1.00 0.00 C ATOM 464 OH TYR A 60 2.732 -9.153 -18.781 1.00 0.00 O ATOM 0 H TYR A 60 2.789 -1.175 -18.436 1.00 0.00 H new ATOM 0 HA TYR A 60 1.016 -3.286 -17.997 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.582 -3.077 -18.739 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.876 -3.374 -17.037 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.567 -5.527 -16.025 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.430 -4.889 -20.192 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.342 -7.964 -16.456 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.306 -7.335 -20.592 1.00 0.00 H new ATOM 0 HH TYR A 60 2.907 -9.335 -19.728 1.00 0.00 H new ATOM 474 N ILE A 61 2.195 -1.981 -15.218 1.00 0.00 N ATOM 475 CA ILE A 61 2.018 -1.813 -13.761 1.00 0.00 C ATOM 476 C ILE A 61 0.539 -1.616 -13.418 1.00 0.00 C ATOM 477 O ILE A 61 -0.053 -2.394 -12.668 1.00 0.00 O ATOM 478 CB ILE A 61 2.836 -0.597 -13.233 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.238 -0.482 -13.871 1.00 0.00 C ATOM 480 CG2 ILE A 61 2.883 -0.599 -11.693 1.00 0.00 C ATOM 481 CD1 ILE A 61 5.133 0.602 -13.267 1.00 0.00 C ATOM 0 H ILE A 61 2.854 -1.309 -15.611 1.00 0.00 H new ATOM 0 HA ILE A 61 2.384 -2.719 -13.279 1.00 0.00 H new ATOM 0 HB ILE A 61 2.310 0.304 -13.548 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.743 -1.443 -13.778 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.121 -0.284 -14.937 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.459 0.259 -11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.869 -0.539 -11.298 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.354 -1.518 -11.345 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.095 0.607 -13.779 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.655 1.575 -13.383 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.287 0.398 -12.207 1.00 0.00 H new ATOM 493 N LYS A 62 -0.076 -0.600 -14.027 1.00 0.00 N ATOM 494 CA LYS A 62 -1.484 -0.296 -13.805 1.00 0.00 C ATOM 495 C LYS A 62 -2.368 -1.463 -14.282 1.00 0.00 C ATOM 496 O LYS A 62 -3.245 -1.926 -13.559 1.00 0.00 O ATOM 497 CB LYS A 62 -1.837 1.024 -14.516 1.00 0.00 C ATOM 498 CG LYS A 62 -3.005 1.742 -13.821 1.00 0.00 C ATOM 499 CD LYS A 62 -3.387 3.098 -14.444 1.00 0.00 C ATOM 500 CE LYS A 62 -4.128 3.025 -15.792 1.00 0.00 C ATOM 501 NZ LYS A 62 -3.229 2.914 -16.965 1.00 0.00 N ATOM 0 H LYS A 62 0.387 0.029 -14.683 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.672 -0.170 -12.739 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.964 1.676 -14.530 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.099 0.821 -15.554 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.878 1.090 -13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.747 1.898 -12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.012 3.640 -13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.478 3.684 -14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.801 2.168 -15.780 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.747 3.915 -15.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.678 3.361 -17.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.329 3.392 -16.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.049 1.911 -17.170 1.00 0.00 H new ATOM 515 N ARG A 63 -2.081 -2.009 -15.467 1.00 0.00 N ATOM 516 CA ARG A 63 -2.794 -3.149 -16.055 1.00 0.00 C ATOM 517 C ARG A 63 -2.808 -4.374 -15.123 1.00 0.00 C ATOM 518 O ARG A 63 -3.834 -5.036 -15.004 1.00 0.00 O ATOM 519 CB ARG A 63 -2.191 -3.492 -17.432 1.00 0.00 C ATOM 520 CG ARG A 63 -3.069 -4.486 -18.208 1.00 0.00 C ATOM 521 CD ARG A 63 -2.498 -4.836 -19.589 1.00 0.00 C ATOM 522 NE ARG A 63 -3.448 -5.701 -20.315 1.00 0.00 N ATOM 523 CZ ARG A 63 -3.205 -6.848 -20.929 1.00 0.00 C ATOM 524 NH1 ARG A 63 -2.006 -7.323 -21.120 1.00 0.00 N ATOM 525 NH2 ARG A 63 -4.200 -7.564 -21.374 1.00 0.00 N ATOM 0 H ARG A 63 -1.327 -1.662 -16.060 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.836 -2.859 -16.191 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.074 -2.579 -18.015 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.195 -3.915 -17.298 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.178 -5.400 -17.624 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.067 -4.064 -18.329 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.313 -3.925 -20.158 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.540 -5.344 -19.479 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.413 -5.374 -20.348 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.193 -6.804 -20.789 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.881 -8.214 -21.601 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.159 -7.239 -21.248 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.020 -8.449 -21.848 1.00 0.00 H new ATOM 539 N TYR A 64 -1.719 -4.649 -14.400 1.00 0.00 N ATOM 540 CA TYR A 64 -1.627 -5.789 -13.478 1.00 0.00 C ATOM 541 C TYR A 64 -2.538 -5.641 -12.252 1.00 0.00 C ATOM 542 O TYR A 64 -3.221 -6.570 -11.824 1.00 0.00 O ATOM 543 CB TYR A 64 -0.168 -5.983 -13.044 1.00 0.00 C ATOM 544 CG TYR A 64 0.146 -7.452 -12.825 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.294 -8.122 -11.666 1.00 0.00 C ATOM 546 CD2 TYR A 64 0.769 -8.181 -13.853 1.00 0.00 C ATOM 547 CE1 TYR A 64 -0.127 -9.516 -11.554 1.00 0.00 C ATOM 548 CE2 TYR A 64 0.959 -9.568 -13.729 1.00 0.00 C ATOM 549 CZ TYR A 64 0.501 -10.237 -12.582 1.00 0.00 C ATOM 550 OH TYR A 64 0.639 -11.589 -12.496 1.00 0.00 O ATOM 0 H TYR A 64 -0.870 -4.085 -14.437 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.975 -6.671 -14.015 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.498 -5.575 -13.804 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.018 -5.427 -12.125 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.759 -7.567 -10.864 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.104 -7.672 -14.744 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.483 -10.032 -10.675 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.456 -10.118 -14.514 1.00 0.00 H new ATOM 0 HH TYR A 64 1.096 -11.923 -13.296 1.00 0.00 H new ATOM 560 N ILE A 65 -2.597 -4.420 -11.735 1.00 0.00 N ATOM 561 CA ILE A 65 -3.493 -4.004 -10.646 1.00 0.00 C ATOM 562 C ILE A 65 -4.955 -4.037 -11.102 1.00 0.00 C ATOM 563 O ILE A 65 -5.817 -4.537 -10.385 1.00 0.00 O ATOM 564 CB ILE A 65 -3.064 -2.615 -10.120 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.687 -2.691 -9.431 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.087 -1.952 -9.182 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.659 -3.473 -8.111 1.00 0.00 C ATOM 0 H ILE A 65 -2.004 -3.660 -12.069 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.413 -4.708 -9.818 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.003 -1.978 -11.003 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.978 -3.149 -10.121 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.337 -1.676 -9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.709 -0.982 -8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.030 -1.816 -9.711 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.247 -2.588 -8.311 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.647 -3.468 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.337 -3.006 -7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.973 -4.501 -8.291 1.00 0.00 H new ATOM 579 N LEU A 66 -5.230 -3.604 -12.332 1.00 0.00 N ATOM 580 CA LEU A 66 -6.576 -3.599 -12.913 1.00 0.00 C ATOM 581 C LEU A 66 -7.050 -5.030 -13.223 1.00 0.00 C ATOM 582 O LEU A 66 -8.220 -5.362 -13.024 1.00 0.00 O ATOM 583 CB LEU A 66 -6.559 -2.703 -14.163 1.00 0.00 C ATOM 584 CG LEU A 66 -6.729 -1.188 -13.907 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.234 -0.648 -12.562 1.00 0.00 C ATOM 586 CD2 LEU A 66 -5.991 -0.405 -14.990 1.00 0.00 C ATOM 0 H LEU A 66 -4.515 -3.241 -12.963 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.293 -3.194 -12.199 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.616 -2.860 -14.687 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.354 -3.031 -14.833 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.811 -1.053 -13.911 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.413 0.426 -12.513 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.770 -1.143 -11.752 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.166 -0.843 -12.463 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.110 0.664 -14.811 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.932 -0.661 -14.966 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.404 -0.657 -15.967 1.00 0.00 H new ATOM 598 N LYS A 67 -6.122 -5.905 -13.615 1.00 0.00 N ATOM 599 CA LYS A 67 -6.350 -7.338 -13.764 1.00 0.00 C ATOM 600 C LYS A 67 -6.703 -7.995 -12.415 1.00 0.00 C ATOM 601 O LYS A 67 -7.680 -8.737 -12.313 1.00 0.00 O ATOM 602 CB LYS A 67 -5.097 -7.968 -14.391 1.00 0.00 C ATOM 603 CG LYS A 67 -5.326 -9.437 -14.779 1.00 0.00 C ATOM 604 CD LYS A 67 -4.115 -10.077 -15.478 1.00 0.00 C ATOM 605 CE LYS A 67 -2.915 -10.249 -14.533 1.00 0.00 C ATOM 606 NZ LYS A 67 -1.820 -11.012 -15.168 1.00 0.00 N ATOM 0 H LYS A 67 -5.168 -5.626 -13.843 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.205 -7.506 -14.419 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.809 -7.400 -15.275 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.267 -7.904 -13.687 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.564 -10.010 -13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.192 -9.501 -15.437 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.402 -11.050 -15.877 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.820 -9.459 -16.326 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.547 -9.268 -14.231 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.237 -10.762 -13.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.907 -10.688 -14.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.939 -12.025 -14.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.842 -10.860 -16.197 1.00 0.00 H new ATOM 620 N ALA A 68 -5.945 -7.675 -11.363 1.00 0.00 N ATOM 621 CA ALA A 68 -6.175 -8.178 -10.006 1.00 0.00 C ATOM 622 C ALA A 68 -7.491 -7.659 -9.379 1.00 0.00 C ATOM 623 O ALA A 68 -8.162 -8.379 -8.638 1.00 0.00 O ATOM 624 CB ALA A 68 -4.958 -7.820 -9.147 1.00 0.00 C ATOM 0 H ALA A 68 -5.142 -7.050 -11.431 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.295 -9.260 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.109 -8.186 -8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.066 -8.281 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.832 -6.737 -9.128 1.00 0.00 H new ATOM 630 N LEU A 69 -7.916 -6.442 -9.733 1.00 0.00 N ATOM 631 CA LEU A 69 -9.119 -5.774 -9.218 1.00 0.00 C ATOM 632 C LEU A 69 -10.429 -6.468 -9.617 1.00 0.00 C ATOM 633 O LEU A 69 -11.440 -6.337 -8.925 1.00 0.00 O ATOM 634 CB LEU A 69 -9.111 -4.302 -9.686 1.00 0.00 C ATOM 635 CG LEU A 69 -9.017 -3.290 -8.537 1.00 0.00 C ATOM 636 CD1 LEU A 69 -7.699 -3.379 -7.778 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.148 -1.861 -9.059 1.00 0.00 C ATOM 0 H LEU A 69 -7.413 -5.872 -10.413 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.084 -5.829 -8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.270 -4.150 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.019 -4.107 -10.257 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.836 -3.538 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.690 -2.640 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.591 -4.377 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.872 -3.185 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.078 -1.162 -8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.348 -1.659 -9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.112 -1.741 -9.554 1.00 0.00 H new ATOM 649 N ARG A 70 -10.397 -7.244 -10.699 1.00 0.00 N ATOM 650 CA ARG A 70 -11.501 -8.111 -11.107 1.00 0.00 C ATOM 651 C ARG A 70 -11.834 -9.216 -10.077 1.00 0.00 C ATOM 652 O ARG A 70 -12.964 -9.710 -10.054 1.00 0.00 O ATOM 653 CB ARG A 70 -11.215 -8.742 -12.480 1.00 0.00 C ATOM 654 CG ARG A 70 -11.164 -7.696 -13.605 1.00 0.00 C ATOM 655 CD ARG A 70 -10.978 -8.372 -14.967 1.00 0.00 C ATOM 656 NE ARG A 70 -11.055 -7.388 -16.061 1.00 0.00 N ATOM 657 CZ ARG A 70 -11.165 -7.650 -17.353 1.00 0.00 C ATOM 658 NH1 ARG A 70 -11.171 -8.870 -17.821 1.00 0.00 N ATOM 659 NH2 ARG A 70 -11.276 -6.677 -18.215 1.00 0.00 N ATOM 0 H ARG A 70 -9.593 -7.289 -11.325 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.379 -7.468 -11.170 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.266 -9.276 -12.441 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.986 -9.478 -12.706 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.084 -7.112 -13.606 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.345 -7.000 -13.424 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.013 -8.879 -14.996 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.744 -9.135 -15.105 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.020 -6.404 -15.795 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.089 -9.661 -17.183 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.258 -9.031 -18.824 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.278 -5.709 -17.894 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.361 -6.884 -19.210 1.00 0.00 H new ATOM 673 N LYS A 71 -10.866 -9.619 -9.241 1.00 0.00 N ATOM 674 CA LYS A 71 -10.986 -10.764 -8.324 1.00 0.00 C ATOM 675 C LYS A 71 -10.004 -10.697 -7.122 1.00 0.00 C ATOM 676 O LYS A 71 -9.270 -11.644 -6.832 1.00 0.00 O ATOM 677 CB LYS A 71 -10.935 -12.079 -9.138 1.00 0.00 C ATOM 678 CG LYS A 71 -12.163 -12.958 -8.850 1.00 0.00 C ATOM 679 CD LYS A 71 -12.175 -14.216 -9.731 1.00 0.00 C ATOM 680 CE LYS A 71 -13.465 -15.011 -9.493 1.00 0.00 C ATOM 681 NZ LYS A 71 -13.542 -16.213 -10.350 1.00 0.00 N ATOM 0 H LYS A 71 -9.962 -9.151 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.959 -10.727 -7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.890 -11.849 -10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.026 -12.627 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.165 -13.248 -7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.072 -12.382 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.100 -13.935 -10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.308 -14.837 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.519 -15.309 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.326 -14.371 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.429 -16.721 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.516 -15.929 -11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.735 -16.837 -10.147 1.00 0.00 H new ATOM 695 N ILE A 72 -9.967 -9.550 -6.424 1.00 0.00 N ATOM 696 CA ILE A 72 -9.112 -9.307 -5.240 1.00 0.00 C ATOM 697 C ILE A 72 -9.177 -10.442 -4.184 1.00 0.00 C ATOM 698 O ILE A 72 -8.138 -10.873 -3.671 1.00 0.00 O ATOM 699 CB ILE A 72 -9.477 -7.943 -4.597 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.449 -6.806 -5.646 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.556 -7.625 -3.401 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.542 -5.378 -5.094 1.00 0.00 C ATOM 0 H ILE A 72 -10.542 -8.744 -6.669 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.082 -9.287 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.496 -8.017 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.527 -6.892 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.274 -6.960 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.836 -6.663 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.659 -8.404 -2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.521 -7.583 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.513 -4.666 -5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.477 -5.260 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.703 -5.191 -4.424 1.00 0.00 H new ATOM 714 N GLU A 73 -10.392 -10.914 -3.860 1.00 0.00 N ATOM 715 CA GLU A 73 -10.672 -11.990 -2.882 1.00 0.00 C ATOM 716 C GLU A 73 -10.308 -13.378 -3.425 1.00 0.00 C ATOM 717 O GLU A 73 -9.459 -14.049 -2.798 1.00 0.00 O ATOM 718 CB GLU A 73 -12.144 -11.937 -2.441 1.00 0.00 C ATOM 719 CG GLU A 73 -12.435 -12.868 -1.263 1.00 0.00 C ATOM 720 CD GLU A 73 -13.888 -12.735 -0.829 1.00 0.00 C ATOM 721 OE1 GLU A 73 -14.173 -11.886 0.044 1.00 0.00 O ATOM 722 OE2 GLU A 73 -14.739 -13.491 -1.352 1.00 0.00 O ATOM 0 H GLU A 73 -11.242 -10.545 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.037 -11.818 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.401 -10.914 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.782 -12.209 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.226 -13.900 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.776 -12.627 -0.429 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 16.583 6.512 -5.789 1.00 0.00 N ATOM 731 CA THR B 31 15.252 5.890 -5.789 1.00 0.00 C ATOM 732 C THR B 31 14.699 5.844 -7.224 1.00 0.00 C ATOM 733 O THR B 31 15.089 6.661 -8.065 1.00 0.00 O ATOM 734 CB THR B 31 14.249 6.683 -4.915 1.00 0.00 C ATOM 735 OG1 THR B 31 14.821 7.249 -3.750 1.00 0.00 O ATOM 736 CG2 THR B 31 13.062 5.844 -4.442 1.00 0.00 C ATOM 0 HA THR B 31 15.364 4.886 -5.380 1.00 0.00 H new ATOM 0 HB THR B 31 13.921 7.471 -5.592 1.00 0.00 H new ATOM 0 HG1 THR B 31 15.773 7.425 -3.905 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.399 6.461 -3.835 1.00 0.00 H new ATOM 0 HG22 THR B 31 12.516 5.466 -5.306 1.00 0.00 H new ATOM 0 HG23 THR B 31 13.423 5.005 -3.847 1.00 0.00 H new ATOM 744 N ARG B 32 13.784 4.921 -7.525 1.00 0.00 N ATOM 745 CA ARG B 32 13.084 4.820 -8.809 1.00 0.00 C ATOM 746 C ARG B 32 11.626 5.305 -8.726 1.00 0.00 C ATOM 747 O ARG B 32 11.009 5.314 -7.661 1.00 0.00 O ATOM 748 CB ARG B 32 13.163 3.370 -9.311 1.00 0.00 C ATOM 749 CG ARG B 32 14.568 2.961 -9.792 1.00 0.00 C ATOM 750 CD ARG B 32 15.016 3.728 -11.044 1.00 0.00 C ATOM 751 NE ARG B 32 14.100 3.479 -12.169 1.00 0.00 N ATOM 752 CZ ARG B 32 14.298 3.800 -13.437 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.355 4.456 -13.834 1.00 0.00 N ATOM 754 NH2 ARG B 32 13.425 3.466 -14.345 1.00 0.00 N ATOM 0 H ARG B 32 13.500 4.200 -6.862 1.00 0.00 H new ATOM 0 HA ARG B 32 13.578 5.481 -9.521 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.853 2.699 -8.510 1.00 0.00 H new ATOM 0 HB3 ARG B 32 12.455 3.238 -10.129 1.00 0.00 H new ATOM 0 HG2 ARG B 32 15.286 3.133 -8.990 1.00 0.00 H new ATOM 0 HG3 ARG B 32 14.577 1.892 -10.004 1.00 0.00 H new ATOM 0 HD2 ARG B 32 15.051 4.796 -10.828 1.00 0.00 H new ATOM 0 HD3 ARG B 32 16.026 3.425 -11.319 1.00 0.00 H new ATOM 0 HE ARG B 32 13.221 3.010 -11.948 1.00 0.00 H new ATOM 0 HH11 ARG B 32 16.064 4.739 -13.157 1.00 0.00 H new ATOM 0 HH12 ARG B 32 15.472 4.685 -14.821 1.00 0.00 H new ATOM 0 HH21 ARG B 32 12.583 2.954 -14.080 1.00 0.00 H new ATOM 0 HH22 ARG B 32 13.583 3.716 -15.321 1.00 0.00 H new ATOM 768 N ALA B 33 11.081 5.703 -9.875 1.00 0.00 N ATOM 769 CA ALA B 33 9.932 6.601 -9.980 1.00 0.00 C ATOM 770 C ALA B 33 8.789 5.989 -10.813 1.00 0.00 C ATOM 771 O ALA B 33 8.907 5.804 -12.026 1.00 0.00 O ATOM 772 CB ALA B 33 10.447 7.914 -10.579 1.00 0.00 C ATOM 0 H ALA B 33 11.436 5.402 -10.782 1.00 0.00 H new ATOM 0 HA ALA B 33 9.497 6.778 -8.996 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.621 8.618 -10.677 1.00 0.00 H new ATOM 0 HB2 ALA B 33 11.210 8.338 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.878 7.721 -11.562 1.00 0.00 H new ATOM 778 N VAL B 34 7.681 5.668 -10.146 1.00 0.00 N ATOM 779 CA VAL B 34 6.514 4.952 -10.690 1.00 0.00 C ATOM 780 C VAL B 34 5.290 5.847 -10.595 1.00 0.00 C ATOM 781 O VAL B 34 4.622 5.913 -9.565 1.00 0.00 O ATOM 782 CB VAL B 34 6.292 3.594 -9.994 1.00 0.00 C ATOM 783 CG1 VAL B 34 4.985 2.899 -10.393 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.428 2.640 -10.377 1.00 0.00 C ATOM 0 H VAL B 34 7.561 5.910 -9.162 1.00 0.00 H new ATOM 0 HA VAL B 34 6.701 4.721 -11.739 1.00 0.00 H new ATOM 0 HB VAL B 34 6.255 3.811 -8.926 1.00 0.00 H new ATOM 0 HG11 VAL B 34 4.901 1.951 -9.862 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.140 3.537 -10.133 1.00 0.00 H new ATOM 0 HG13 VAL B 34 4.984 2.715 -11.467 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.276 1.678 -9.887 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.437 2.500 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.381 3.063 -10.058 1.00 0.00 H new ATOM 794 N SER B 35 5.047 6.576 -11.677 1.00 0.00 N ATOM 795 CA SER B 35 3.906 7.481 -11.824 1.00 0.00 C ATOM 796 C SER B 35 2.811 6.894 -12.730 1.00 0.00 C ATOM 797 O SER B 35 3.045 6.577 -13.901 1.00 0.00 O ATOM 798 CB SER B 35 4.372 8.852 -12.314 1.00 0.00 C ATOM 799 OG SER B 35 3.295 9.775 -12.312 1.00 0.00 O ATOM 0 H SER B 35 5.651 6.556 -12.499 1.00 0.00 H new ATOM 0 HA SER B 35 3.454 7.606 -10.840 1.00 0.00 H new ATOM 0 HB2 SER B 35 5.174 9.220 -11.674 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.781 8.765 -13.320 1.00 0.00 H new ATOM 0 HG SER B 35 3.611 10.648 -12.627 1.00 0.00 H new ATOM 805 N LEU B 36 1.615 6.739 -12.162 1.00 0.00 N ATOM 806 CA LEU B 36 0.414 6.136 -12.744 1.00 0.00 C ATOM 807 C LEU B 36 -0.744 7.152 -12.776 1.00 0.00 C ATOM 808 O LEU B 36 -0.692 8.219 -12.163 1.00 0.00 O ATOM 809 CB LEU B 36 0.006 4.885 -11.924 1.00 0.00 C ATOM 810 CG LEU B 36 0.628 3.546 -12.360 1.00 0.00 C ATOM 811 CD1 LEU B 36 2.149 3.547 -12.384 1.00 0.00 C ATOM 812 CD2 LEU B 36 0.174 2.443 -11.403 1.00 0.00 C ATOM 0 H LEU B 36 1.447 7.057 -11.207 1.00 0.00 H new ATOM 0 HA LEU B 36 0.634 5.837 -13.769 1.00 0.00 H new ATOM 0 HB2 LEU B 36 0.269 5.060 -10.881 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.079 4.788 -11.967 1.00 0.00 H new ATOM 0 HG LEU B 36 0.286 3.376 -13.381 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.509 2.568 -12.701 1.00 0.00 H new ATOM 0 HD12 LEU B 36 2.501 4.307 -13.082 1.00 0.00 H new ATOM 0 HD13 LEU B 36 2.528 3.767 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU B 36 0.612 1.493 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.498 2.683 -10.391 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -0.913 2.365 -11.427 1.00 0.00 H new ATOM 824 N TYR B 37 -1.807 6.766 -13.476 1.00 0.00 N ATOM 825 CA TYR B 37 -2.989 7.575 -13.790 1.00 0.00 C ATOM 826 C TYR B 37 -4.268 6.728 -13.692 1.00 0.00 C ATOM 827 O TYR B 37 -4.800 6.235 -14.688 1.00 0.00 O ATOM 828 CB TYR B 37 -2.810 8.218 -15.174 1.00 0.00 C ATOM 829 CG TYR B 37 -1.879 9.414 -15.165 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.359 10.658 -14.716 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.541 9.293 -15.590 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.517 11.782 -14.708 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.306 10.418 -15.567 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.181 11.662 -15.130 1.00 0.00 C ATOM 835 OH TYR B 37 0.643 12.747 -15.122 1.00 0.00 O ATOM 0 H TYR B 37 -1.874 5.825 -13.864 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.095 8.377 -13.060 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.423 7.471 -15.867 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -3.784 8.528 -15.551 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.380 10.749 -14.376 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.166 8.340 -15.933 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.895 12.738 -14.378 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.333 10.325 -15.886 1.00 0.00 H new ATOM 0 HH TYR B 37 1.531 12.486 -15.443 1.00 0.00 H new ATOM 845 N PHE B 38 -4.710 6.486 -12.460 1.00 0.00 N ATOM 846 CA PHE B 38 -5.962 5.825 -12.134 1.00 0.00 C ATOM 847 C PHE B 38 -7.184 6.745 -12.368 1.00 0.00 C ATOM 848 O PHE B 38 -7.046 7.933 -12.677 1.00 0.00 O ATOM 849 CB PHE B 38 -5.843 5.429 -10.656 1.00 0.00 C ATOM 850 CG PHE B 38 -4.945 4.238 -10.364 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.292 2.953 -10.822 1.00 0.00 C ATOM 852 CD2 PHE B 38 -3.803 4.397 -9.560 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.546 1.829 -10.421 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.040 3.277 -9.194 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.412 1.992 -9.613 1.00 0.00 C ATOM 0 H PHE B 38 -4.181 6.758 -11.631 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.126 4.960 -12.776 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.470 6.288 -10.098 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.841 5.210 -10.276 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.136 2.829 -11.485 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.512 5.381 -9.224 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -4.847 0.841 -10.736 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.158 3.406 -8.584 1.00 0.00 H new ATOM 0 HZ PHE B 38 -2.829 1.133 -9.315 1.00 0.00 H new ATOM 865 N SER B 39 -8.379 6.210 -12.125 1.00 0.00 N ATOM 866 CA SER B 39 -9.628 6.967 -12.002 1.00 0.00 C ATOM 867 C SER B 39 -10.397 6.547 -10.738 1.00 0.00 C ATOM 868 O SER B 39 -9.931 5.702 -9.965 1.00 0.00 O ATOM 869 CB SER B 39 -10.478 6.824 -13.279 1.00 0.00 C ATOM 870 OG SER B 39 -9.804 7.343 -14.416 1.00 0.00 O ATOM 0 H SER B 39 -8.511 5.206 -12.004 1.00 0.00 H new ATOM 0 HA SER B 39 -9.389 8.025 -11.893 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.714 5.773 -13.444 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.425 7.347 -13.147 1.00 0.00 H new ATOM 0 HG SER B 39 -10.370 7.235 -15.209 1.00 0.00 H new ATOM 876 N ASP B 40 -11.543 7.187 -10.481 1.00 0.00 N ATOM 877 CA ASP B 40 -12.292 7.085 -9.218 1.00 0.00 C ATOM 878 C ASP B 40 -12.542 5.644 -8.757 1.00 0.00 C ATOM 879 O ASP B 40 -12.240 5.316 -7.613 1.00 0.00 O ATOM 880 CB ASP B 40 -13.610 7.870 -9.346 1.00 0.00 C ATOM 881 CG ASP B 40 -13.382 9.391 -9.412 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.913 9.963 -8.398 1.00 0.00 O ATOM 883 OD2 ASP B 40 -13.646 10.001 -10.475 1.00 0.00 O ATOM 0 H ASP B 40 -11.988 7.805 -11.159 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.670 7.524 -8.438 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.138 7.545 -10.243 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.252 7.638 -8.496 1.00 0.00 H new ATOM 888 N GLU B 41 -13.013 4.764 -9.648 1.00 0.00 N ATOM 889 CA GLU B 41 -13.297 3.346 -9.326 1.00 0.00 C ATOM 890 C GLU B 41 -12.065 2.605 -8.826 1.00 0.00 C ATOM 891 O GLU B 41 -12.085 2.008 -7.753 1.00 0.00 O ATOM 892 CB GLU B 41 -13.837 2.592 -10.547 1.00 0.00 C ATOM 893 CG GLU B 41 -15.131 3.183 -11.104 1.00 0.00 C ATOM 894 CD GLU B 41 -16.344 2.411 -10.599 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.889 2.781 -9.535 1.00 0.00 O ATOM 896 OE2 GLU B 41 -16.758 1.444 -11.278 1.00 0.00 O ATOM 0 H GLU B 41 -13.211 5.008 -10.618 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.046 3.371 -8.535 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.079 2.594 -11.330 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.010 1.551 -10.274 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.213 4.230 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.107 3.158 -12.193 1.00 0.00 H new ATOM 903 N GLN B 42 -10.972 2.701 -9.581 1.00 0.00 N ATOM 904 CA GLN B 42 -9.665 2.123 -9.246 1.00 0.00 C ATOM 905 C GLN B 42 -9.137 2.671 -7.914 1.00 0.00 C ATOM 906 O GLN B 42 -8.728 1.900 -7.046 1.00 0.00 O ATOM 907 CB GLN B 42 -8.651 2.374 -10.368 1.00 0.00 C ATOM 908 CG GLN B 42 -9.015 1.727 -11.718 1.00 0.00 C ATOM 909 CD GLN B 42 -10.155 2.393 -12.462 1.00 0.00 C ATOM 910 OE1 GLN B 42 -10.451 3.565 -12.278 1.00 0.00 O ATOM 911 NE2 GLN B 42 -10.837 1.664 -13.316 1.00 0.00 N ATOM 0 H GLN B 42 -10.968 3.198 -10.472 1.00 0.00 H new ATOM 0 HA GLN B 42 -9.801 1.047 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.547 3.449 -10.512 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.678 1.999 -10.051 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -8.132 1.734 -12.357 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -9.275 0.683 -11.545 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -10.587 0.687 -13.466 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -11.617 2.075 -13.829 1.00 0.00 H new ATOM 920 N TYR B 43 -9.199 3.989 -7.705 1.00 0.00 N ATOM 921 CA TYR B 43 -8.667 4.605 -6.486 1.00 0.00 C ATOM 922 C TYR B 43 -9.498 4.255 -5.244 1.00 0.00 C ATOM 923 O TYR B 43 -8.946 3.931 -4.194 1.00 0.00 O ATOM 924 CB TYR B 43 -8.574 6.123 -6.664 1.00 0.00 C ATOM 925 CG TYR B 43 -7.627 6.783 -5.677 1.00 0.00 C ATOM 926 CD1 TYR B 43 -8.037 7.053 -4.355 1.00 0.00 C ATOM 927 CD2 TYR B 43 -6.329 7.143 -6.090 1.00 0.00 C ATOM 928 CE1 TYR B 43 -7.166 7.711 -3.466 1.00 0.00 C ATOM 929 CE2 TYR B 43 -5.472 7.821 -5.207 1.00 0.00 C ATOM 930 CZ TYR B 43 -5.887 8.107 -3.897 1.00 0.00 C ATOM 931 OH TYR B 43 -5.053 8.785 -3.059 1.00 0.00 O ATOM 0 H TYR B 43 -9.612 4.650 -8.363 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.669 4.199 -6.322 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.243 6.344 -7.679 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.567 6.557 -6.551 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -9.021 6.755 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -5.992 6.898 -7.086 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -7.480 7.912 -2.452 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -4.489 8.124 -5.538 1.00 0.00 H new ATOM 0 HH TYR B 43 -4.211 8.978 -3.521 1.00 0.00 H new ATOM 941 N GLN B 44 -10.828 4.252 -5.363 1.00 0.00 N ATOM 942 CA GLN B 44 -11.728 3.908 -4.258 1.00 0.00 C ATOM 943 C GLN B 44 -11.701 2.412 -3.917 1.00 0.00 C ATOM 944 O GLN B 44 -11.782 2.045 -2.749 1.00 0.00 O ATOM 945 CB GLN B 44 -13.172 4.355 -4.528 1.00 0.00 C ATOM 946 CG GLN B 44 -13.475 5.775 -4.018 1.00 0.00 C ATOM 947 CD GLN B 44 -12.912 6.880 -4.887 1.00 0.00 C ATOM 948 OE1 GLN B 44 -11.806 7.372 -4.693 1.00 0.00 O ATOM 949 NE2 GLN B 44 -13.685 7.354 -5.840 1.00 0.00 N ATOM 0 H GLN B 44 -11.312 4.488 -6.229 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.351 4.456 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.364 4.313 -5.600 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.857 3.652 -4.054 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -14.555 5.900 -3.945 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -13.073 5.880 -3.010 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.605 6.944 -6.001 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -13.364 8.131 -6.418 1.00 0.00 H new ATOM 958 N LYS B 45 -11.537 1.529 -4.902 1.00 0.00 N ATOM 959 CA LYS B 45 -11.341 0.096 -4.650 1.00 0.00 C ATOM 960 C LYS B 45 -10.011 -0.201 -3.927 1.00 0.00 C ATOM 961 O LYS B 45 -9.968 -1.030 -3.015 1.00 0.00 O ATOM 962 CB LYS B 45 -11.469 -0.668 -5.967 1.00 0.00 C ATOM 963 CG LYS B 45 -11.831 -2.149 -5.759 1.00 0.00 C ATOM 964 CD LYS B 45 -12.478 -2.784 -7.004 1.00 0.00 C ATOM 965 CE LYS B 45 -13.923 -2.300 -7.209 1.00 0.00 C ATOM 966 NZ LYS B 45 -14.564 -2.942 -8.377 1.00 0.00 N ATOM 0 H LYS B 45 -11.536 1.781 -5.890 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.119 -0.246 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -12.232 -0.195 -6.585 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.529 -0.601 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -10.931 -2.706 -5.499 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.515 -2.236 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -11.885 -2.540 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -12.469 -3.869 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.507 -2.513 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -13.927 -1.218 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.536 -2.587 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -14.023 -2.719 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -14.584 -3.973 -8.239 1.00 0.00 H new ATOM 980 N LEU B 46 -8.944 0.536 -4.255 1.00 0.00 N ATOM 981 CA LEU B 46 -7.719 0.571 -3.453 1.00 0.00 C ATOM 982 C LEU B 46 -7.954 1.127 -2.035 1.00 0.00 C ATOM 983 O LEU B 46 -7.503 0.534 -1.056 1.00 0.00 O ATOM 984 CB LEU B 46 -6.674 1.383 -4.216 1.00 0.00 C ATOM 985 CG LEU B 46 -5.780 0.570 -5.162 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.647 -0.137 -4.408 1.00 0.00 C ATOM 987 CD2 LEU B 46 -6.463 -0.490 -6.022 1.00 0.00 C ATOM 0 H LEU B 46 -8.907 1.126 -5.086 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.361 -0.448 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.186 2.151 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -6.039 1.898 -3.495 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.419 1.346 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.037 -0.701 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -4.027 0.605 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -5.071 -0.817 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.719 -0.990 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.950 -1.223 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.209 -0.016 -6.660 1.00 0.00 H new ATOM 999 N GLU B 47 -8.711 2.221 -1.901 1.00 0.00 N ATOM 1000 CA GLU B 47 -9.109 2.818 -0.604 1.00 0.00 C ATOM 1001 C GLU B 47 -9.909 1.867 0.285 1.00 0.00 C ATOM 1002 O GLU B 47 -9.703 1.840 1.496 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.877 4.130 -0.817 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.974 4.982 0.444 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.781 6.240 0.148 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -10.181 7.259 -0.260 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -12.019 6.207 0.335 1.00 0.00 O ATOM 0 H GLU B 47 -9.076 2.734 -2.704 1.00 0.00 H new ATOM 0 HA GLU B 47 -8.180 3.028 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.386 4.707 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.882 3.901 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.448 4.413 1.244 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.976 5.251 0.792 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.756 1.024 -0.303 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.525 0.016 0.428 1.00 0.00 C ATOM 1016 C LYS B 48 -10.626 -1.038 1.101 1.00 0.00 C ATOM 1017 O LYS B 48 -10.887 -1.441 2.238 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.558 -0.651 -0.497 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.820 0.213 -0.652 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.814 -0.443 -1.627 1.00 0.00 C ATOM 1021 CE LYS B 48 -16.126 0.344 -1.765 1.00 0.00 C ATOM 1022 NZ LYS B 48 -16.983 0.247 -0.560 1.00 0.00 N ATOM 0 H LYS B 48 -10.930 1.021 -1.308 1.00 0.00 H new ATOM 0 HA LYS B 48 -12.053 0.534 1.229 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.112 -0.824 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.831 -1.626 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -14.294 0.351 0.320 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.546 1.203 -1.016 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.346 -0.534 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.037 -1.454 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -15.897 1.392 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -16.678 -0.027 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -17.854 0.796 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -17.227 -0.749 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -16.471 0.626 0.262 1.00 0.00 H new ATOM 1036 N MET B 49 -9.530 -1.443 0.450 1.00 0.00 N ATOM 1037 CA MET B 49 -8.502 -2.288 1.032 1.00 0.00 C ATOM 1038 C MET B 49 -7.611 -1.519 2.022 1.00 0.00 C ATOM 1039 O MET B 49 -7.326 -2.002 3.117 1.00 0.00 O ATOM 1040 CB MET B 49 -7.629 -2.789 -0.109 1.00 0.00 C ATOM 1041 CG MET B 49 -8.309 -3.780 -1.056 1.00 0.00 C ATOM 1042 SD MET B 49 -7.138 -4.588 -2.179 1.00 0.00 S ATOM 1043 CE MET B 49 -6.558 -3.141 -3.092 1.00 0.00 C ATOM 0 H MET B 49 -9.336 -1.182 -0.517 1.00 0.00 H new ATOM 0 HA MET B 49 -8.982 -3.100 1.579 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.287 -1.931 -0.689 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.742 -3.262 0.313 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.827 -4.539 -0.470 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.066 -3.257 -1.641 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.850 -3.455 -3.859 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.406 -2.644 -3.563 1.00 0.00 H new ATOM 0 HE3 MET B 49 -6.068 -2.450 -2.406 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.211 -0.294 1.671 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.375 0.557 2.513 1.00 0.00 C ATOM 1055 C ALA B 50 -7.027 0.871 3.871 1.00 0.00 C ATOM 1056 O ALA B 50 -6.360 0.828 4.898 1.00 0.00 O ATOM 1057 CB ALA B 50 -6.035 1.834 1.751 1.00 0.00 C ATOM 0 H ALA B 50 -7.463 0.138 0.782 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.458 0.014 2.743 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.411 2.474 2.374 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.497 1.580 0.838 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.954 2.361 1.496 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.338 1.106 3.917 1.00 0.00 N ATOM 1064 CA ASN B 51 -9.084 1.324 5.161 1.00 0.00 C ATOM 1065 C ASN B 51 -9.047 0.112 6.127 1.00 0.00 C ATOM 1066 O ASN B 51 -9.067 0.295 7.345 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.512 1.726 4.782 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.374 2.031 5.998 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -11.131 2.979 6.734 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -12.404 1.244 6.244 1.00 0.00 N ATOM 0 H ASN B 51 -8.922 1.151 3.082 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.605 2.123 5.727 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.480 2.602 4.135 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.972 0.922 4.207 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -13.002 1.424 7.050 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -12.602 0.456 5.628 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.921 -1.117 5.604 1.00 0.00 N ATOM 1078 CA GLU B 52 -8.683 -2.349 6.385 1.00 0.00 C ATOM 1079 C GLU B 52 -7.272 -2.406 6.990 1.00 0.00 C ATOM 1080 O GLU B 52 -7.076 -2.949 8.077 1.00 0.00 O ATOM 1081 CB GLU B 52 -8.927 -3.597 5.518 1.00 0.00 C ATOM 1082 CG GLU B 52 -9.196 -4.881 6.305 1.00 0.00 C ATOM 1083 CD GLU B 52 -10.542 -4.830 7.021 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -11.582 -5.013 6.348 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -10.558 -4.644 8.258 1.00 0.00 O ATOM 0 H GLU B 52 -8.983 -1.290 4.601 1.00 0.00 H new ATOM 0 HA GLU B 52 -9.393 -2.332 7.212 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -9.775 -3.406 4.861 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -8.058 -3.754 4.879 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -9.176 -5.735 5.627 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -8.401 -5.034 7.035 1.00 0.00 H new ATOM 1092 N GLU B 53 -6.299 -1.781 6.313 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.917 -1.524 6.786 1.00 0.00 C ATOM 1094 C GLU B 53 -4.810 -0.276 7.686 1.00 0.00 C ATOM 1095 O GLU B 53 -3.761 -0.019 8.276 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.981 -1.371 5.571 1.00 0.00 C ATOM 1097 CG GLU B 53 -2.525 -1.774 5.811 1.00 0.00 C ATOM 1098 CD GLU B 53 -2.393 -3.274 6.052 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -2.485 -4.045 5.073 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -2.161 -3.674 7.217 1.00 0.00 O ATOM 0 H GLU B 53 -6.455 -1.420 5.372 1.00 0.00 H new ATOM 0 HA GLU B 53 -4.620 -2.378 7.395 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -4.376 -1.971 4.751 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.004 -0.331 5.245 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.921 -1.488 4.950 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.133 -1.230 6.671 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.911 0.480 7.799 1.00 0.00 N ATOM 1108 CA GLU B 54 -6.133 1.704 8.609 1.00 0.00 C ATOM 1109 C GLU B 54 -5.674 2.992 7.899 1.00 0.00 C ATOM 1110 O GLU B 54 -5.123 3.911 8.506 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.606 1.562 10.052 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.437 2.389 11.031 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.846 2.295 12.431 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -6.217 1.358 13.175 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -5.025 3.167 12.796 1.00 0.00 O ATOM 0 H GLU B 54 -6.753 0.233 7.279 1.00 0.00 H new ATOM 0 HA GLU B 54 -7.213 1.814 8.706 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.629 0.513 10.348 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.565 1.883 10.094 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.463 3.430 10.708 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.467 2.031 11.038 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.919 3.026 6.584 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.483 4.003 5.559 1.00 0.00 C ATOM 1124 C GLU B 55 -3.981 3.965 5.259 1.00 0.00 C ATOM 1125 O GLU B 55 -3.136 4.090 6.146 1.00 0.00 O ATOM 1126 CB GLU B 55 -5.976 5.434 5.842 1.00 0.00 C ATOM 1127 CG GLU B 55 -5.684 6.429 4.714 1.00 0.00 C ATOM 1128 CD GLU B 55 -6.310 5.987 3.399 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -5.632 5.245 2.654 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -7.464 6.389 3.129 1.00 0.00 O ATOM 0 H GLU B 55 -6.488 2.294 6.158 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.975 3.673 4.644 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -7.051 5.408 6.020 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -5.509 5.793 6.759 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -6.067 7.412 4.987 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -4.606 6.531 4.588 1.00 0.00 H new ATOM 1137 N SER B 56 -3.667 3.789 3.976 1.00 0.00 N ATOM 1138 CA SER B 56 -2.317 3.615 3.426 1.00 0.00 C ATOM 1139 C SER B 56 -2.252 3.650 1.877 1.00 0.00 C ATOM 1140 O SER B 56 -1.285 3.138 1.312 1.00 0.00 O ATOM 1141 CB SER B 56 -1.721 2.285 3.940 1.00 0.00 C ATOM 1142 OG SER B 56 -2.421 1.157 3.438 1.00 0.00 O ATOM 0 H SER B 56 -4.384 3.762 3.251 1.00 0.00 H new ATOM 0 HA SER B 56 -1.734 4.468 3.772 1.00 0.00 H new ATOM 0 HB2 SER B 56 -0.673 2.221 3.647 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.749 2.273 5.030 1.00 0.00 H new ATOM 0 HG SER B 56 -2.012 0.337 3.785 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.264 4.164 1.152 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.471 3.887 -0.300 1.00 0.00 C ATOM 1150 C VAL B 57 -2.226 3.907 -1.200 1.00 0.00 C ATOM 1151 O VAL B 57 -2.006 2.950 -1.937 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.540 4.782 -0.970 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.952 4.258 -0.733 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -4.484 6.247 -0.529 1.00 0.00 C ATOM 0 H VAL B 57 -3.968 4.786 1.549 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.814 2.854 -0.239 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.300 4.740 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.671 4.916 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -6.041 3.253 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -6.154 4.229 0.338 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -5.263 6.811 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -4.640 6.309 0.548 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -3.509 6.665 -0.779 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.372 4.932 -1.124 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.150 5.016 -1.947 1.00 0.00 C ATOM 1166 C GLY B 58 0.830 3.864 -1.689 1.00 0.00 C ATOM 1167 O GLY B 58 1.352 3.242 -2.615 1.00 0.00 O ATOM 0 H GLY B 58 -1.502 5.725 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.428 5.019 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.351 5.963 -1.747 1.00 0.00 H new ATOM 1171 N SER B 59 1.001 3.501 -0.420 1.00 0.00 N ATOM 1172 CA SER B 59 1.755 2.319 -0.017 1.00 0.00 C ATOM 1173 C SER B 59 1.032 1.017 -0.374 1.00 0.00 C ATOM 1174 O SER B 59 1.689 0.053 -0.756 1.00 0.00 O ATOM 1175 CB SER B 59 1.971 2.351 1.494 1.00 0.00 C ATOM 1176 OG SER B 59 2.815 3.423 1.888 1.00 0.00 O ATOM 0 H SER B 59 0.615 4.026 0.365 1.00 0.00 H new ATOM 0 HA SER B 59 2.703 2.340 -0.554 1.00 0.00 H new ATOM 0 HB2 SER B 59 1.008 2.444 1.996 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.409 1.407 1.818 1.00 0.00 H new ATOM 0 HG SER B 59 2.927 3.410 2.861 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.305 0.969 -0.312 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.079 -0.216 -0.710 1.00 0.00 C ATOM 1184 C TYR B 60 -0.896 -0.556 -2.196 1.00 0.00 C ATOM 1185 O TYR B 60 -0.707 -1.712 -2.566 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.573 -0.053 -0.392 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.218 -1.391 -0.064 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.495 -2.316 -1.091 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.440 -1.760 1.279 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -3.953 -3.610 -0.775 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -3.916 -3.047 1.590 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.158 -3.976 0.565 1.00 0.00 C ATOM 1193 OH TYR B 60 -4.590 -5.233 0.865 1.00 0.00 O ATOM 0 H TYR B 60 -0.879 1.746 0.014 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.686 -1.045 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.695 0.628 0.450 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.081 0.399 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.356 -2.032 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.244 -1.053 2.071 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.147 -4.321 -1.564 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.096 -3.321 2.619 1.00 0.00 H new ATOM 0 HH TYR B 60 -4.680 -5.325 1.837 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.876 0.470 -3.044 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.647 0.354 -4.497 1.00 0.00 C ATOM 1205 C ILE B 61 0.719 -0.293 -4.757 1.00 0.00 C ATOM 1206 O ILE B 61 0.826 -1.266 -5.507 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.786 1.752 -5.153 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.265 2.186 -5.108 1.00 0.00 C ATOM 1209 CG2 ILE B 61 -0.270 1.833 -6.605 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.484 3.674 -5.357 1.00 0.00 C ATOM 0 H ILE B 61 -1.021 1.433 -2.740 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.396 -0.294 -4.952 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.152 2.424 -4.574 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.822 1.618 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.679 1.927 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -0.407 2.846 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.789 1.576 -6.630 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.827 1.134 -7.229 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.550 3.898 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.957 4.251 -4.597 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.102 3.938 -6.343 1.00 0.00 H new ATOM 1222 N LYS B 62 1.749 0.181 -4.054 1.00 0.00 N ATOM 1223 CA LYS B 62 3.088 -0.398 -4.128 1.00 0.00 C ATOM 1224 C LYS B 62 3.142 -1.834 -3.554 1.00 0.00 C ATOM 1225 O LYS B 62 3.609 -2.763 -4.207 1.00 0.00 O ATOM 1226 CB LYS B 62 4.061 0.556 -3.413 1.00 0.00 C ATOM 1227 CG LYS B 62 5.525 0.216 -3.744 1.00 0.00 C ATOM 1228 CD LYS B 62 6.524 1.308 -3.333 1.00 0.00 C ATOM 1229 CE LYS B 62 6.785 1.311 -1.820 1.00 0.00 C ATOM 1230 NZ LYS B 62 7.728 2.381 -1.426 1.00 0.00 N ATOM 0 H LYS B 62 1.677 0.976 -3.419 1.00 0.00 H new ATOM 0 HA LYS B 62 3.382 -0.502 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.849 1.583 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.906 0.496 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.794 -0.715 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.614 0.040 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.465 1.156 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.141 2.282 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS B 62 5.842 1.444 -1.289 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.187 0.344 -1.519 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.356 2.031 -0.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.297 2.663 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.195 3.202 -1.076 1.00 0.00 H new ATOM 1244 N ARG B 63 2.586 -2.047 -2.361 1.00 0.00 N ATOM 1245 CA ARG B 63 2.442 -3.342 -1.680 1.00 0.00 C ATOM 1246 C ARG B 63 1.788 -4.411 -2.573 1.00 0.00 C ATOM 1247 O ARG B 63 2.240 -5.552 -2.595 1.00 0.00 O ATOM 1248 CB ARG B 63 1.628 -3.100 -0.392 1.00 0.00 C ATOM 1249 CG ARG B 63 1.160 -4.336 0.394 1.00 0.00 C ATOM 1250 CD ARG B 63 0.245 -3.881 1.545 1.00 0.00 C ATOM 1251 NE ARG B 63 -0.384 -5.019 2.239 1.00 0.00 N ATOM 1252 CZ ARG B 63 0.037 -5.629 3.335 1.00 0.00 C ATOM 1253 NH1 ARG B 63 1.164 -5.323 3.921 1.00 0.00 N ATOM 1254 NH2 ARG B 63 -0.664 -6.598 3.855 1.00 0.00 N ATOM 0 H ARG B 63 2.201 -1.280 -1.810 1.00 0.00 H new ATOM 0 HA ARG B 63 3.429 -3.738 -1.439 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.230 -2.485 0.276 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.747 -2.515 -0.656 1.00 0.00 H new ATOM 0 HG2 ARG B 63 0.625 -5.020 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG B 63 2.019 -4.879 0.788 1.00 0.00 H new ATOM 0 HD2 ARG B 63 0.826 -3.298 2.260 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -0.531 -3.223 1.152 1.00 0.00 H new ATOM 0 HE ARG B 63 -1.245 -5.378 1.826 1.00 0.00 H new ATOM 0 HH11 ARG B 63 1.757 -4.588 3.535 1.00 0.00 H new ATOM 0 HH12 ARG B 63 1.451 -5.819 4.765 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -1.539 -6.887 3.417 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -0.338 -7.067 4.700 1.00 0.00 H new ATOM 1268 N TYR B 64 0.759 -4.059 -3.344 1.00 0.00 N ATOM 1269 CA TYR B 64 0.011 -4.996 -4.194 1.00 0.00 C ATOM 1270 C TYR B 64 0.820 -5.452 -5.419 1.00 0.00 C ATOM 1271 O TYR B 64 0.846 -6.629 -5.778 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.281 -4.300 -4.636 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.475 -5.159 -5.028 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.431 -6.571 -5.049 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.682 -4.505 -5.348 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.583 -7.310 -5.369 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.831 -5.247 -5.671 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.784 -6.649 -5.669 1.00 0.00 C ATOM 1279 OH TYR B 64 -5.899 -7.372 -5.952 1.00 0.00 O ATOM 0 H TYR B 64 0.413 -3.101 -3.399 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.207 -5.897 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.597 -3.644 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.039 -3.662 -5.486 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.509 -7.084 -4.818 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.724 -3.426 -5.345 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.544 -8.389 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -5.750 -4.738 -5.921 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.866 -8.225 -5.471 1.00 0.00 H new ATOM 1289 N ILE B 65 1.566 -4.516 -6.000 1.00 0.00 N ATOM 1290 CA ILE B 65 2.574 -4.778 -7.044 1.00 0.00 C ATOM 1291 C ILE B 65 3.680 -5.692 -6.506 1.00 0.00 C ATOM 1292 O ILE B 65 4.046 -6.671 -7.151 1.00 0.00 O ATOM 1293 CB ILE B 65 3.160 -3.459 -7.606 1.00 0.00 C ATOM 1294 CG1 ILE B 65 2.165 -2.671 -8.482 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.457 -3.679 -8.408 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.735 -3.384 -9.771 1.00 0.00 C ATOM 0 H ILE B 65 1.491 -3.528 -5.758 1.00 0.00 H new ATOM 0 HA ILE B 65 2.080 -5.291 -7.869 1.00 0.00 H new ATOM 0 HB ILE B 65 3.382 -2.867 -6.718 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.276 -2.453 -7.890 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.615 -1.714 -8.746 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.823 -2.721 -8.778 1.00 0.00 H new ATOM 0 HG22 ILE B 65 5.211 -4.131 -7.764 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.256 -4.340 -9.251 1.00 0.00 H new ATOM 0 HD11 ILE B 65 1.036 -2.753 -10.320 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.611 -3.578 -10.389 1.00 0.00 H new ATOM 0 HD13 ILE B 65 1.252 -4.328 -9.521 1.00 0.00 H new ATOM 1308 N LEU B 66 4.170 -5.429 -5.293 1.00 0.00 N ATOM 1309 CA LEU B 66 5.239 -6.220 -4.673 1.00 0.00 C ATOM 1310 C LEU B 66 4.732 -7.625 -4.296 1.00 0.00 C ATOM 1311 O LEU B 66 5.444 -8.617 -4.453 1.00 0.00 O ATOM 1312 CB LEU B 66 5.781 -5.440 -3.464 1.00 0.00 C ATOM 1313 CG LEU B 66 6.893 -4.413 -3.782 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.788 -3.658 -5.112 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.919 -3.374 -2.666 1.00 0.00 C ATOM 0 H LEU B 66 3.837 -4.661 -4.711 1.00 0.00 H new ATOM 0 HA LEU B 66 6.056 -6.376 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.951 -4.916 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.166 -6.154 -2.736 1.00 0.00 H new ATOM 0 HG LEU B 66 7.799 -5.013 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.629 -2.972 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.805 -4.370 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.855 -3.095 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.698 -2.639 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.952 -2.873 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.126 -3.866 -1.716 1.00 0.00 H new ATOM 1327 N LYS B 67 3.464 -7.724 -3.895 1.00 0.00 N ATOM 1328 CA LYS B 67 2.776 -8.984 -3.639 1.00 0.00 C ATOM 1329 C LYS B 67 2.587 -9.818 -4.920 1.00 0.00 C ATOM 1330 O LYS B 67 2.825 -11.027 -4.915 1.00 0.00 O ATOM 1331 CB LYS B 67 1.444 -8.669 -2.944 1.00 0.00 C ATOM 1332 CG LYS B 67 0.707 -9.945 -2.495 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.478 -9.658 -1.551 1.00 0.00 C ATOM 1334 CE LYS B 67 -0.168 -9.900 -0.063 1.00 0.00 C ATOM 1335 NZ LYS B 67 0.843 -8.970 0.490 1.00 0.00 N ATOM 0 H LYS B 67 2.874 -6.907 -3.736 1.00 0.00 H new ATOM 0 HA LYS B 67 3.387 -9.606 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.629 -8.034 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.806 -8.103 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.343 -10.476 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.412 -10.607 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.791 -8.622 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -1.321 -10.285 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -1.089 -9.806 0.512 1.00 0.00 H new ATOM 0 HE3 LYS B 67 0.184 -10.924 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 1.003 -9.189 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 1.735 -9.075 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 0.501 -7.992 0.399 1.00 0.00 H new ATOM 1349 N ALA B 68 2.239 -9.175 -6.039 1.00 0.00 N ATOM 1350 CA ALA B 68 2.199 -9.820 -7.354 1.00 0.00 C ATOM 1351 C ALA B 68 3.597 -10.256 -7.843 1.00 0.00 C ATOM 1352 O ALA B 68 3.751 -11.319 -8.450 1.00 0.00 O ATOM 1353 CB ALA B 68 1.548 -8.863 -8.357 1.00 0.00 C ATOM 0 H ALA B 68 1.976 -8.190 -6.058 1.00 0.00 H new ATOM 0 HA ALA B 68 1.608 -10.732 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.513 -9.334 -9.339 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.535 -8.629 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA B 68 2.132 -7.945 -8.415 1.00 0.00 H new ATOM 1359 N LEU B 69 4.640 -9.474 -7.542 1.00 0.00 N ATOM 1360 CA LEU B 69 6.009 -9.708 -8.006 1.00 0.00 C ATOM 1361 C LEU B 69 6.576 -11.046 -7.500 1.00 0.00 C ATOM 1362 O LEU B 69 7.304 -11.731 -8.215 1.00 0.00 O ATOM 1363 CB LEU B 69 6.895 -8.508 -7.621 1.00 0.00 C ATOM 1364 CG LEU B 69 7.491 -7.787 -8.842 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.443 -7.077 -9.700 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.467 -6.713 -8.382 1.00 0.00 C ATOM 0 H LEU B 69 4.552 -8.643 -6.956 1.00 0.00 H new ATOM 0 HA LEU B 69 5.998 -9.792 -9.093 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.305 -7.799 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.705 -8.852 -6.978 1.00 0.00 H new ATOM 0 HG LEU B 69 7.970 -8.565 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.933 -6.590 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.722 -7.806 -10.070 1.00 0.00 H new ATOM 0 HD13 LEU B 69 5.927 -6.329 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.886 -6.206 -9.251 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.944 -5.989 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU B 69 9.271 -7.174 -7.808 1.00 0.00 H new ATOM 1378 N ARG B 70 6.146 -11.455 -6.303 1.00 0.00 N ATOM 1379 CA ARG B 70 6.456 -12.755 -5.699 1.00 0.00 C ATOM 1380 C ARG B 70 5.927 -13.973 -6.495 1.00 0.00 C ATOM 1381 O ARG B 70 6.447 -15.080 -6.342 1.00 0.00 O ATOM 1382 CB ARG B 70 5.942 -12.802 -4.250 1.00 0.00 C ATOM 1383 CG ARG B 70 6.721 -11.849 -3.325 1.00 0.00 C ATOM 1384 CD ARG B 70 6.181 -11.849 -1.890 1.00 0.00 C ATOM 1385 NE ARG B 70 6.395 -13.145 -1.217 1.00 0.00 N ATOM 1386 CZ ARG B 70 6.027 -13.466 0.012 1.00 0.00 C ATOM 1387 NH1 ARG B 70 5.419 -12.622 0.802 1.00 0.00 N ATOM 1388 NH2 ARG B 70 6.268 -14.660 0.480 1.00 0.00 N ATOM 0 H ARG B 70 5.555 -10.873 -5.709 1.00 0.00 H new ATOM 0 HA ARG B 70 7.543 -12.840 -5.719 1.00 0.00 H new ATOM 0 HB2 ARG B 70 4.884 -12.538 -4.233 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.023 -13.821 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.772 -12.138 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.673 -10.837 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG B 70 6.670 -11.059 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG B 70 5.115 -11.620 -1.904 1.00 0.00 H new ATOM 0 HE ARG B 70 6.876 -13.866 -1.754 1.00 0.00 H new ATOM 0 HH11 ARG B 70 5.212 -11.678 0.477 1.00 0.00 H new ATOM 0 HH12 ARG B 70 5.151 -12.907 1.744 1.00 0.00 H new ATOM 0 HH21 ARG B 70 6.742 -15.350 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG B 70 5.982 -14.903 1.429 1.00 0.00 H new ATOM 1402 N LYS B 71 4.912 -13.786 -7.349 1.00 0.00 N ATOM 1403 CA LYS B 71 4.419 -14.801 -8.299 1.00 0.00 C ATOM 1404 C LYS B 71 5.001 -14.613 -9.718 1.00 0.00 C ATOM 1405 O LYS B 71 5.242 -15.590 -10.431 1.00 0.00 O ATOM 1406 CB LYS B 71 2.885 -14.779 -8.351 1.00 0.00 C ATOM 1407 CG LYS B 71 2.179 -15.651 -7.296 1.00 0.00 C ATOM 1408 CD LYS B 71 2.373 -15.180 -5.843 1.00 0.00 C ATOM 1409 CE LYS B 71 1.637 -16.069 -4.828 1.00 0.00 C ATOM 1410 NZ LYS B 71 0.164 -15.959 -4.917 1.00 0.00 N ATOM 0 H LYS B 71 4.397 -12.907 -7.402 1.00 0.00 H new ATOM 0 HA LYS B 71 4.759 -15.771 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS B 71 2.548 -13.749 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS B 71 2.567 -15.106 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS B 71 1.112 -15.674 -7.517 1.00 0.00 H new ATOM 0 HG3 LYS B 71 2.545 -16.674 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS B 71 3.437 -15.171 -5.607 1.00 0.00 H new ATOM 0 HD3 LYS B 71 2.017 -14.154 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS B 71 1.928 -17.108 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS B 71 1.955 -15.799 -3.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 -0.274 -16.568 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 -0.121 -14.972 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 -0.150 -16.259 -5.862 1.00 0.00 H new ATOM 1424 N ILE B 72 5.251 -13.364 -10.126 1.00 0.00 N ATOM 1425 CA ILE B 72 5.845 -12.993 -11.425 1.00 0.00 C ATOM 1426 C ILE B 72 7.298 -13.505 -11.591 1.00 0.00 C ATOM 1427 O ILE B 72 7.675 -13.916 -12.693 1.00 0.00 O ATOM 1428 CB ILE B 72 5.737 -11.458 -11.585 1.00 0.00 C ATOM 1429 CG1 ILE B 72 4.257 -11.042 -11.787 1.00 0.00 C ATOM 1430 CG2 ILE B 72 6.602 -10.894 -12.726 1.00 0.00 C ATOM 1431 CD1 ILE B 72 3.972 -9.575 -11.443 1.00 0.00 C ATOM 0 H ILE B 72 5.040 -12.553 -9.545 1.00 0.00 H new ATOM 0 HA ILE B 72 5.289 -13.483 -12.225 1.00 0.00 H new ATOM 0 HB ILE B 72 6.125 -11.028 -10.661 1.00 0.00 H new ATOM 0 HG12 ILE B 72 3.977 -11.223 -12.825 1.00 0.00 H new ATOM 0 HG13 ILE B 72 3.623 -11.679 -11.171 1.00 0.00 H new ATOM 0 HG21 ILE B 72 6.475 -9.813 -12.778 1.00 0.00 H new ATOM 0 HG22 ILE B 72 7.650 -11.128 -12.538 1.00 0.00 H new ATOM 0 HG23 ILE B 72 6.294 -11.341 -13.671 1.00 0.00 H new ATOM 0 HD11 ILE B 72 2.916 -9.361 -11.610 1.00 0.00 H new ATOM 0 HD12 ILE B 72 4.219 -9.392 -10.397 1.00 0.00 H new ATOM 0 HD13 ILE B 72 4.578 -8.928 -12.077 1.00 0.00 H new ATOM 1443 N GLU B 73 8.102 -13.521 -10.514 1.00 0.00 N ATOM 1444 CA GLU B 73 9.512 -13.976 -10.501 1.00 0.00 C ATOM 1445 C GLU B 73 9.851 -14.694 -9.190 1.00 0.00 C ATOM 1446 O GLU B 73 9.892 -15.943 -9.213 1.00 0.00 O ATOM 1447 CB GLU B 73 10.450 -12.787 -10.793 1.00 0.00 C ATOM 1448 CG GLU B 73 11.833 -13.166 -11.338 1.00 0.00 C ATOM 1449 CD GLU B 73 12.820 -13.614 -10.265 1.00 0.00 C ATOM 1450 OE1 GLU B 73 13.379 -12.732 -9.574 1.00 0.00 O ATOM 1451 OE2 GLU B 73 13.106 -14.830 -10.185 1.00 0.00 O ATOM 0 H GLU B 73 7.783 -13.209 -9.597 1.00 0.00 H new ATOM 0 HA GLU B 73 9.659 -14.710 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU B 73 9.962 -12.128 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU B 73 10.583 -12.215 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU B 73 11.718 -13.967 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU B 73 12.251 -12.310 -11.867 1.00 0.00 H new TER 1458 GLU B 73