USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 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: B 64 TYR OH : rot 180:sc= 0.405 USER MOD Set 1.2: B 67 LYS NZ :NH3+ 165:sc= 0.445 (180deg=0.0357) USER MOD Single : A 31 THR OG1 : rot 27:sc= 0.403 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= -0.0366 K(o=-0.037,f=-2.1!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -172:sc= -0.102 (180deg=-0.339) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 170:sc= 1.28 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+ -175:sc= 0 (180deg=-0.0234) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 140:sc= -0.0866 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= 0.128 USER MOD Single : B 42 GLN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.75 K(o=0.75,f=-0.006) USER MOD Single : B 45 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.02) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl 175:sc= -0.593 (180deg=-0.737) USER MOD Single : B 51 ASN : amide:sc= 1.04 K(o=1,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+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -9.819 12.757 -13.056 1.00 0.00 N ATOM 2 CA THR A 31 -8.618 11.905 -12.997 1.00 0.00 C ATOM 3 C THR A 31 -7.878 12.046 -11.655 1.00 0.00 C ATOM 4 O THR A 31 -7.909 13.105 -11.020 1.00 0.00 O ATOM 5 CB THR A 31 -7.651 12.278 -14.141 1.00 0.00 C ATOM 6 OG1 THR A 31 -8.372 12.564 -15.327 1.00 0.00 O ATOM 7 CG2 THR A 31 -6.643 11.185 -14.499 1.00 0.00 C ATOM 0 HA THR A 31 -8.949 10.872 -13.100 1.00 0.00 H new ATOM 0 HB THR A 31 -7.105 13.143 -13.763 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.271 12.879 -15.096 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.004 11.531 -15.311 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.030 10.956 -13.627 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.176 10.288 -14.814 1.00 0.00 H new ATOM 15 N ARG A 32 -7.165 10.994 -11.243 1.00 0.00 N ATOM 16 CA ARG A 32 -6.394 10.883 -9.991 1.00 0.00 C ATOM 17 C ARG A 32 -4.922 10.543 -10.255 1.00 0.00 C ATOM 18 O ARG A 32 -4.618 9.547 -10.912 1.00 0.00 O ATOM 19 CB ARG A 32 -7.020 9.808 -9.081 1.00 0.00 C ATOM 20 CG ARG A 32 -8.501 10.024 -8.734 1.00 0.00 C ATOM 21 CD ARG A 32 -8.743 11.300 -7.922 1.00 0.00 C ATOM 22 NE ARG A 32 -10.165 11.425 -7.570 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.698 12.194 -6.639 1.00 0.00 C ATOM 24 NH1 ARG A 32 -9.988 13.018 -5.921 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.976 12.142 -6.412 1.00 0.00 N ATOM 0 H ARG A 32 -7.104 10.144 -11.804 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.429 11.853 -9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.915 8.838 -9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.449 9.763 -8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.082 10.070 -9.655 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.866 9.166 -8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.138 11.281 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.427 12.170 -8.498 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.815 10.851 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.981 13.086 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.439 13.595 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.565 11.508 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.391 12.735 -5.693 1.00 0.00 H new ATOM 39 N ALA A 33 -4.013 11.357 -9.724 1.00 0.00 N ATOM 40 CA ALA A 33 -2.572 11.106 -9.741 1.00 0.00 C ATOM 41 C ALA A 33 -2.181 10.039 -8.697 1.00 0.00 C ATOM 42 O ALA A 33 -2.481 10.183 -7.508 1.00 0.00 O ATOM 43 CB ALA A 33 -1.845 12.433 -9.489 1.00 0.00 C ATOM 0 H ALA A 33 -4.262 12.230 -9.259 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.278 10.712 -10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.768 12.265 -9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.108 13.146 -10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.142 12.832 -8.519 1.00 0.00 H new ATOM 49 N VAL A 34 -1.500 8.978 -9.135 1.00 0.00 N ATOM 50 CA VAL A 34 -1.030 7.856 -8.305 1.00 0.00 C ATOM 51 C VAL A 34 0.472 7.685 -8.504 1.00 0.00 C ATOM 52 O VAL A 34 0.909 6.960 -9.396 1.00 0.00 O ATOM 53 CB VAL A 34 -1.830 6.569 -8.593 1.00 0.00 C ATOM 54 CG1 VAL A 34 -1.339 5.372 -7.772 1.00 0.00 C ATOM 55 CG2 VAL A 34 -3.311 6.758 -8.243 1.00 0.00 C ATOM 0 H VAL A 34 -1.248 8.868 -10.117 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.206 8.077 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.688 6.372 -9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.938 4.494 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.293 5.174 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.437 5.595 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.855 5.838 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.407 7.001 -7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.725 7.570 -8.841 1.00 0.00 H new ATOM 65 N SER A 35 1.258 8.410 -7.704 1.00 0.00 N ATOM 66 CA SER A 35 2.717 8.506 -7.824 1.00 0.00 C ATOM 67 C SER A 35 3.453 7.809 -6.675 1.00 0.00 C ATOM 68 O SER A 35 3.263 8.146 -5.502 1.00 0.00 O ATOM 69 CB SER A 35 3.132 9.970 -7.939 1.00 0.00 C ATOM 70 OG SER A 35 4.523 10.070 -8.192 1.00 0.00 O ATOM 0 H SER A 35 0.887 8.963 -6.932 1.00 0.00 H new ATOM 0 HA SER A 35 3.008 7.979 -8.732 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.574 10.451 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.884 10.498 -7.018 1.00 0.00 H new ATOM 0 HG SER A 35 4.775 11.014 -8.265 1.00 0.00 H new ATOM 76 N LEU A 36 4.269 6.809 -7.021 1.00 0.00 N ATOM 77 CA LEU A 36 4.970 5.884 -6.134 1.00 0.00 C ATOM 78 C LEU A 36 6.458 5.767 -6.498 1.00 0.00 C ATOM 79 O LEU A 36 6.910 6.189 -7.567 1.00 0.00 O ATOM 80 CB LEU A 36 4.297 4.488 -6.192 1.00 0.00 C ATOM 81 CG LEU A 36 3.001 4.271 -5.389 1.00 0.00 C ATOM 82 CD1 LEU A 36 3.174 4.689 -3.927 1.00 0.00 C ATOM 83 CD2 LEU A 36 1.767 4.941 -5.987 1.00 0.00 C ATOM 0 H LEU A 36 4.470 6.613 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 36 4.907 6.279 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.082 4.265 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.026 3.752 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 36 2.817 3.198 -5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.241 4.523 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.967 4.097 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.437 5.746 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.901 4.736 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.929 6.017 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.589 4.548 -6.988 1.00 0.00 H new ATOM 95 N TYR A 37 7.203 5.143 -5.587 1.00 0.00 N ATOM 96 CA TYR A 37 8.659 5.028 -5.573 1.00 0.00 C ATOM 97 C TYR A 37 9.070 3.556 -5.401 1.00 0.00 C ATOM 98 O TYR A 37 9.199 3.048 -4.285 1.00 0.00 O ATOM 99 CB TYR A 37 9.213 5.925 -4.454 1.00 0.00 C ATOM 100 CG TYR A 37 8.989 7.429 -4.566 1.00 0.00 C ATOM 101 CD1 TYR A 37 8.854 8.082 -5.810 1.00 0.00 C ATOM 102 CD2 TYR A 37 8.975 8.194 -3.385 1.00 0.00 C ATOM 103 CE1 TYR A 37 8.677 9.478 -5.876 1.00 0.00 C ATOM 104 CE2 TYR A 37 8.816 9.590 -3.446 1.00 0.00 C ATOM 105 CZ TYR A 37 8.659 10.238 -4.689 1.00 0.00 C ATOM 106 OH TYR A 37 8.503 11.591 -4.732 1.00 0.00 O ATOM 0 H TYR A 37 6.777 4.674 -4.787 1.00 0.00 H new ATOM 0 HA TYR A 37 9.080 5.365 -6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.777 5.592 -3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.287 5.751 -4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.887 7.505 -6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.087 7.707 -2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.556 9.964 -6.833 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.814 10.170 -2.535 1.00 0.00 H new ATOM 0 HH TYR A 37 8.513 11.951 -3.820 1.00 0.00 H new ATOM 116 N PHE A 38 9.197 2.840 -6.521 1.00 0.00 N ATOM 117 CA PHE A 38 9.657 1.457 -6.590 1.00 0.00 C ATOM 118 C PHE A 38 11.160 1.333 -6.275 1.00 0.00 C ATOM 119 O PHE A 38 11.896 2.321 -6.276 1.00 0.00 O ATOM 120 CB PHE A 38 9.351 0.959 -8.010 1.00 0.00 C ATOM 121 CG PHE A 38 7.953 0.391 -8.210 1.00 0.00 C ATOM 122 CD1 PHE A 38 6.800 1.139 -7.890 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.806 -0.910 -8.730 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.519 0.589 -8.081 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.527 -1.457 -8.922 1.00 0.00 C ATOM 126 CZ PHE A 38 5.382 -0.710 -8.596 1.00 0.00 C ATOM 0 H PHE A 38 8.973 3.226 -7.438 1.00 0.00 H new ATOM 0 HA PHE A 38 9.144 0.853 -5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.493 1.786 -8.706 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.079 0.192 -8.273 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.901 2.140 -7.496 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.682 -1.490 -8.982 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.641 1.166 -7.831 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.423 -2.455 -9.321 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.399 -1.134 -8.741 1.00 0.00 H new ATOM 136 N SER A 39 11.627 0.097 -6.071 1.00 0.00 N ATOM 137 CA SER A 39 13.057 -0.222 -5.959 1.00 0.00 C ATOM 138 C SER A 39 13.559 -0.939 -7.203 1.00 0.00 C ATOM 139 O SER A 39 12.766 -1.479 -7.969 1.00 0.00 O ATOM 140 CB SER A 39 13.339 -1.047 -4.696 1.00 0.00 C ATOM 141 OG SER A 39 13.005 -0.314 -3.527 1.00 0.00 O ATOM 0 H SER A 39 11.020 -0.717 -5.978 1.00 0.00 H new ATOM 0 HA SER A 39 13.602 0.718 -5.875 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.765 -1.973 -4.726 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.392 -1.326 -4.667 1.00 0.00 H new ATOM 0 HG SER A 39 13.191 -0.860 -2.734 1.00 0.00 H new ATOM 147 N ASP A 40 14.876 -0.940 -7.413 1.00 0.00 N ATOM 148 CA ASP A 40 15.512 -1.405 -8.648 1.00 0.00 C ATOM 149 C ASP A 40 15.062 -2.816 -9.065 1.00 0.00 C ATOM 150 O ASP A 40 14.626 -2.998 -10.195 1.00 0.00 O ATOM 151 CB ASP A 40 17.042 -1.258 -8.554 1.00 0.00 C ATOM 152 CG ASP A 40 17.727 -2.267 -7.616 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.410 -2.285 -6.403 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.598 -3.033 -8.092 1.00 0.00 O ATOM 0 H ASP A 40 15.544 -0.611 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 40 15.171 -0.760 -9.458 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.466 -1.365 -9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.277 -0.249 -8.214 1.00 0.00 H new ATOM 159 N GLU A 41 15.066 -3.792 -8.154 1.00 0.00 N ATOM 160 CA GLU A 41 14.606 -5.166 -8.419 1.00 0.00 C ATOM 161 C GLU A 41 13.140 -5.213 -8.862 1.00 0.00 C ATOM 162 O GLU A 41 12.798 -5.839 -9.866 1.00 0.00 O ATOM 163 CB GLU A 41 14.758 -6.015 -7.149 1.00 0.00 C ATOM 164 CG GLU A 41 16.208 -6.161 -6.675 1.00 0.00 C ATOM 165 CD GLU A 41 16.859 -7.457 -7.192 1.00 0.00 C ATOM 166 OE1 GLU A 41 17.151 -7.553 -8.409 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.086 -8.393 -6.385 1.00 0.00 O ATOM 0 H GLU A 41 15.392 -3.653 -7.198 1.00 0.00 H new ATOM 0 HA GLU A 41 15.221 -5.560 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.167 -5.567 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.344 -7.006 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.788 -5.304 -7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.235 -6.152 -5.585 1.00 0.00 H new ATOM 174 N GLN A 42 12.276 -4.529 -8.106 1.00 0.00 N ATOM 175 CA GLN A 42 10.836 -4.424 -8.359 1.00 0.00 C ATOM 176 C GLN A 42 10.565 -3.781 -9.735 1.00 0.00 C ATOM 177 O GLN A 42 9.767 -4.287 -10.521 1.00 0.00 O ATOM 178 CB GLN A 42 10.146 -3.646 -7.221 1.00 0.00 C ATOM 179 CG GLN A 42 10.504 -4.128 -5.800 1.00 0.00 C ATOM 180 CD GLN A 42 10.217 -5.611 -5.556 1.00 0.00 C ATOM 181 OE1 GLN A 42 9.081 -6.057 -5.488 1.00 0.00 O ATOM 182 NE2 GLN A 42 11.227 -6.440 -5.388 1.00 0.00 N ATOM 0 H GLN A 42 12.569 -4.017 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 42 10.412 -5.428 -8.381 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.408 -2.592 -7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.066 -3.718 -7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.562 -3.938 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.945 -3.536 -5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.185 -6.094 -5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.051 -7.428 -5.206 1.00 0.00 H new ATOM 191 N TYR A 43 11.274 -2.694 -10.062 1.00 0.00 N ATOM 192 CA TYR A 43 11.189 -1.974 -11.339 1.00 0.00 C ATOM 193 C TYR A 43 11.640 -2.846 -12.511 1.00 0.00 C ATOM 194 O TYR A 43 10.968 -2.949 -13.535 1.00 0.00 O ATOM 195 CB TYR A 43 12.078 -0.728 -11.270 1.00 0.00 C ATOM 196 CG TYR A 43 11.699 0.354 -12.264 1.00 0.00 C ATOM 197 CD1 TYR A 43 12.253 0.346 -13.559 1.00 0.00 C ATOM 198 CD2 TYR A 43 10.780 1.360 -11.905 1.00 0.00 C ATOM 199 CE1 TYR A 43 11.901 1.339 -14.492 1.00 0.00 C ATOM 200 CE2 TYR A 43 10.433 2.363 -12.832 1.00 0.00 C ATOM 201 CZ TYR A 43 10.989 2.353 -14.129 1.00 0.00 C ATOM 202 OH TYR A 43 10.647 3.326 -15.018 1.00 0.00 O ATOM 0 H TYR A 43 11.948 -2.276 -9.421 1.00 0.00 H new ATOM 0 HA TYR A 43 10.148 -1.698 -11.504 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.030 -0.315 -10.262 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.113 -1.022 -11.445 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.953 -0.428 -13.838 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.341 1.362 -10.918 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.328 1.325 -15.484 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.740 3.141 -12.549 1.00 0.00 H new ATOM 0 HH TYR A 43 10.008 3.940 -14.601 1.00 0.00 H new ATOM 212 N GLN A 44 12.790 -3.490 -12.336 1.00 0.00 N ATOM 213 CA GLN A 44 13.411 -4.373 -13.327 1.00 0.00 C ATOM 214 C GLN A 44 12.536 -5.588 -13.651 1.00 0.00 C ATOM 215 O GLN A 44 12.404 -5.933 -14.824 1.00 0.00 O ATOM 216 CB GLN A 44 14.826 -4.811 -12.902 1.00 0.00 C ATOM 217 CG GLN A 44 15.952 -3.937 -13.486 1.00 0.00 C ATOM 218 CD GLN A 44 15.850 -2.444 -13.170 1.00 0.00 C ATOM 219 OE1 GLN A 44 15.146 -1.685 -13.820 1.00 0.00 O ATOM 220 NE2 GLN A 44 16.589 -1.939 -12.206 1.00 0.00 N ATOM 0 H GLN A 44 13.334 -3.412 -11.477 1.00 0.00 H new ATOM 0 HA GLN A 44 13.506 -3.787 -14.241 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.891 -4.790 -11.814 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.984 -5.844 -13.211 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.907 -4.306 -13.113 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.963 -4.063 -14.569 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.186 -2.549 -11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.565 -0.937 -12.017 1.00 0.00 H new ATOM 229 N LYS A 45 11.880 -6.209 -12.659 1.00 0.00 N ATOM 230 CA LYS A 45 10.889 -7.268 -12.880 1.00 0.00 C ATOM 231 C LYS A 45 9.719 -6.788 -13.744 1.00 0.00 C ATOM 232 O LYS A 45 9.295 -7.506 -14.651 1.00 0.00 O ATOM 233 CB LYS A 45 10.404 -7.812 -11.524 1.00 0.00 C ATOM 234 CG LYS A 45 10.829 -9.266 -11.266 1.00 0.00 C ATOM 235 CD LYS A 45 12.343 -9.403 -11.025 1.00 0.00 C ATOM 236 CE LYS A 45 12.787 -10.868 -10.886 1.00 0.00 C ATOM 237 NZ LYS A 45 12.278 -11.511 -9.644 1.00 0.00 N ATOM 0 H LYS A 45 12.025 -5.987 -11.674 1.00 0.00 H new ATOM 0 HA LYS A 45 11.367 -8.076 -13.434 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.794 -7.180 -10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.317 -7.745 -11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.290 -9.651 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.543 -9.882 -12.119 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.882 -8.940 -11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.615 -8.857 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.438 -11.432 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.876 -10.915 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.608 -12.496 -9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.632 -10.993 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.238 -11.494 -9.645 1.00 0.00 H new ATOM 251 N LEU A 46 9.222 -5.570 -13.511 1.00 0.00 N ATOM 252 CA LEU A 46 8.166 -4.978 -14.332 1.00 0.00 C ATOM 253 C LEU A 46 8.639 -4.650 -15.750 1.00 0.00 C ATOM 254 O LEU A 46 7.946 -4.968 -16.711 1.00 0.00 O ATOM 255 CB LEU A 46 7.628 -3.751 -13.600 1.00 0.00 C ATOM 256 CG LEU A 46 6.519 -4.045 -12.581 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.146 -4.144 -13.250 1.00 0.00 C ATOM 258 CD2 LEU A 46 6.684 -5.297 -11.721 1.00 0.00 C ATOM 0 H LEU A 46 9.540 -4.970 -12.750 1.00 0.00 H new ATOM 0 HA LEU A 46 7.364 -5.703 -14.467 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.454 -3.261 -13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.247 -3.044 -14.337 1.00 0.00 H new ATOM 0 HG LEU A 46 6.601 -3.187 -11.914 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.388 -4.353 -12.495 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.914 -3.202 -13.746 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.157 -4.948 -13.986 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.834 -5.388 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.732 -6.176 -12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.603 -5.221 -11.140 1.00 0.00 H new ATOM 270 N GLU A 47 9.831 -4.078 -15.909 1.00 0.00 N ATOM 271 CA GLU A 47 10.439 -3.833 -17.223 1.00 0.00 C ATOM 272 C GLU A 47 10.679 -5.130 -18.019 1.00 0.00 C ATOM 273 O GLU A 47 10.421 -5.179 -19.226 1.00 0.00 O ATOM 274 CB GLU A 47 11.728 -3.020 -17.048 1.00 0.00 C ATOM 275 CG GLU A 47 12.283 -2.520 -18.387 1.00 0.00 C ATOM 276 CD GLU A 47 13.553 -1.671 -18.180 1.00 0.00 C ATOM 277 OE1 GLU A 47 13.442 -0.430 -18.025 1.00 0.00 O ATOM 278 OE2 GLU A 47 14.672 -2.241 -18.190 1.00 0.00 O ATOM 0 H GLU A 47 10.409 -3.768 -15.127 1.00 0.00 H new ATOM 0 HA GLU A 47 9.734 -3.253 -17.819 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.533 -2.168 -16.397 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.479 -3.635 -16.552 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.511 -3.370 -19.030 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.525 -1.927 -18.900 1.00 0.00 H new ATOM 285 N LYS A 48 11.102 -6.208 -17.345 1.00 0.00 N ATOM 286 CA LYS A 48 11.316 -7.537 -17.930 1.00 0.00 C ATOM 287 C LYS A 48 10.026 -8.110 -18.521 1.00 0.00 C ATOM 288 O LYS A 48 10.054 -8.685 -19.609 1.00 0.00 O ATOM 289 CB LYS A 48 11.965 -8.463 -16.880 1.00 0.00 C ATOM 290 CG LYS A 48 12.425 -9.828 -17.426 1.00 0.00 C ATOM 291 CD LYS A 48 11.376 -10.944 -17.273 1.00 0.00 C ATOM 292 CE LYS A 48 11.816 -12.257 -17.940 1.00 0.00 C ATOM 293 NZ LYS A 48 12.972 -12.894 -17.252 1.00 0.00 N ATOM 0 H LYS A 48 11.311 -6.177 -16.347 1.00 0.00 H new ATOM 0 HA LYS A 48 12.005 -7.453 -18.770 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.824 -7.952 -16.446 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.252 -8.631 -16.073 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.676 -9.721 -18.481 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.337 -10.127 -16.910 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.191 -11.122 -16.214 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.433 -10.615 -17.711 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.977 -12.953 -17.951 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.081 -12.061 -18.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.226 -13.775 -17.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.784 -12.244 -17.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.715 -13.109 -16.267 1.00 0.00 H new ATOM 307 N MET A 49 8.892 -7.914 -17.845 1.00 0.00 N ATOM 308 CA MET A 49 7.568 -8.247 -18.344 1.00 0.00 C ATOM 309 C MET A 49 7.120 -7.303 -19.468 1.00 0.00 C ATOM 310 O MET A 49 6.604 -7.748 -20.491 1.00 0.00 O ATOM 311 CB MET A 49 6.602 -8.128 -17.171 1.00 0.00 C ATOM 312 CG MET A 49 6.580 -9.347 -16.250 1.00 0.00 C ATOM 313 SD MET A 49 5.098 -9.413 -15.208 1.00 0.00 S ATOM 314 CE MET A 49 5.223 -7.816 -14.366 1.00 0.00 C ATOM 0 H MET A 49 8.875 -7.508 -16.910 1.00 0.00 H new ATOM 0 HA MET A 49 7.584 -9.255 -18.760 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.867 -7.248 -16.584 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.597 -7.961 -17.558 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.635 -10.253 -16.853 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.465 -9.332 -15.614 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.466 -7.757 -13.584 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.213 -7.716 -13.921 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.065 -7.012 -15.085 1.00 0.00 H new ATOM 324 N ALA A 50 7.334 -5.996 -19.303 1.00 0.00 N ATOM 325 CA ALA A 50 6.931 -4.958 -20.247 1.00 0.00 C ATOM 326 C ALA A 50 7.557 -5.122 -21.635 1.00 0.00 C ATOM 327 O ALA A 50 6.916 -4.795 -22.627 1.00 0.00 O ATOM 328 CB ALA A 50 7.251 -3.596 -19.635 1.00 0.00 C ATOM 0 H ALA A 50 7.808 -5.622 -18.481 1.00 0.00 H new ATOM 0 HA ALA A 50 5.858 -5.046 -20.416 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.956 -2.808 -20.328 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.704 -3.480 -18.699 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.321 -3.527 -19.441 1.00 0.00 H new ATOM 334 N ASN A 51 8.762 -5.687 -21.741 1.00 0.00 N ATOM 335 CA ASN A 51 9.380 -6.049 -23.018 1.00 0.00 C ATOM 336 C ASN A 51 8.510 -7.010 -23.861 1.00 0.00 C ATOM 337 O ASN A 51 8.547 -6.944 -25.089 1.00 0.00 O ATOM 338 CB ASN A 51 10.771 -6.624 -22.719 1.00 0.00 C ATOM 339 CG ASN A 51 11.521 -7.038 -23.976 1.00 0.00 C ATOM 340 OD1 ASN A 51 11.604 -8.208 -24.323 1.00 0.00 O ATOM 341 ND2 ASN A 51 12.093 -6.100 -24.697 1.00 0.00 N ATOM 0 H ASN A 51 9.343 -5.909 -20.932 1.00 0.00 H new ATOM 0 HA ASN A 51 9.473 -5.158 -23.639 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.358 -5.881 -22.180 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.668 -7.487 -22.062 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.605 -6.348 -25.544 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.025 -5.124 -24.410 1.00 0.00 H new ATOM 348 N GLU A 52 7.670 -7.839 -23.232 1.00 0.00 N ATOM 349 CA GLU A 52 6.718 -8.727 -23.910 1.00 0.00 C ATOM 350 C GLU A 52 5.511 -7.979 -24.514 1.00 0.00 C ATOM 351 O GLU A 52 4.939 -8.421 -25.513 1.00 0.00 O ATOM 352 CB GLU A 52 6.220 -9.840 -22.971 1.00 0.00 C ATOM 353 CG GLU A 52 7.365 -10.635 -22.329 1.00 0.00 C ATOM 354 CD GLU A 52 6.835 -11.866 -21.570 1.00 0.00 C ATOM 355 OE1 GLU A 52 6.575 -12.913 -22.214 1.00 0.00 O ATOM 356 OE2 GLU A 52 6.687 -11.807 -20.325 1.00 0.00 O ATOM 0 H GLU A 52 7.632 -7.913 -22.215 1.00 0.00 H new ATOM 0 HA GLU A 52 7.273 -9.172 -24.736 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.606 -9.399 -22.186 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.580 -10.522 -23.531 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.066 -10.955 -23.100 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.917 -9.992 -21.643 1.00 0.00 H new ATOM 363 N GLU A 53 5.145 -6.822 -23.951 1.00 0.00 N ATOM 364 CA GLU A 53 4.199 -5.847 -24.510 1.00 0.00 C ATOM 365 C GLU A 53 4.891 -4.778 -25.391 1.00 0.00 C ATOM 366 O GLU A 53 4.222 -3.919 -25.970 1.00 0.00 O ATOM 367 CB GLU A 53 3.434 -5.185 -23.351 1.00 0.00 C ATOM 368 CG GLU A 53 2.121 -5.912 -23.016 1.00 0.00 C ATOM 369 CD GLU A 53 1.176 -5.106 -22.093 1.00 0.00 C ATOM 370 OE1 GLU A 53 1.518 -3.974 -21.667 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.052 -5.596 -21.819 1.00 0.00 O ATOM 0 H GLU A 53 5.518 -6.525 -23.049 1.00 0.00 H new ATOM 0 HA GLU A 53 3.509 -6.378 -25.166 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.070 -5.165 -22.466 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.215 -4.149 -23.610 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.597 -6.142 -23.944 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.355 -6.863 -22.538 1.00 0.00 H new ATOM 378 N GLU A 54 6.220 -4.853 -25.526 1.00 0.00 N ATOM 379 CA GLU A 54 7.107 -3.954 -26.280 1.00 0.00 C ATOM 380 C GLU A 54 7.328 -2.603 -25.561 1.00 0.00 C ATOM 381 O GLU A 54 7.170 -1.519 -26.125 1.00 0.00 O ATOM 382 CB GLU A 54 6.679 -3.862 -27.760 1.00 0.00 C ATOM 383 CG GLU A 54 7.865 -3.525 -28.670 1.00 0.00 C ATOM 384 CD GLU A 54 7.411 -3.363 -30.135 1.00 0.00 C ATOM 385 OE1 GLU A 54 7.355 -4.377 -30.873 1.00 0.00 O ATOM 386 OE2 GLU A 54 7.117 -2.221 -30.565 1.00 0.00 O ATOM 0 H GLU A 54 6.746 -5.602 -25.076 1.00 0.00 H new ATOM 0 HA GLU A 54 8.106 -4.390 -26.305 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.238 -4.809 -28.071 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.907 -3.100 -27.870 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.339 -2.605 -28.329 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.614 -4.314 -28.603 1.00 0.00 H new ATOM 393 N GLU A 55 7.738 -2.699 -24.291 1.00 0.00 N ATOM 394 CA GLU A 55 8.079 -1.629 -23.340 1.00 0.00 C ATOM 395 C GLU A 55 6.931 -0.638 -23.061 1.00 0.00 C ATOM 396 O GLU A 55 6.836 0.458 -23.620 1.00 0.00 O ATOM 397 CB GLU A 55 9.385 -0.926 -23.715 1.00 0.00 C ATOM 398 CG GLU A 55 10.579 -1.871 -23.911 1.00 0.00 C ATOM 399 CD GLU A 55 11.853 -1.075 -24.256 1.00 0.00 C ATOM 400 OE1 GLU A 55 12.565 -0.627 -23.325 1.00 0.00 O ATOM 401 OE2 GLU A 55 12.158 -0.899 -25.462 1.00 0.00 O ATOM 0 H GLU A 55 7.851 -3.616 -23.859 1.00 0.00 H new ATOM 0 HA GLU A 55 8.243 -2.132 -22.387 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.229 -0.362 -24.634 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.632 -0.205 -22.936 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.742 -2.452 -23.003 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.360 -2.581 -24.709 1.00 0.00 H new ATOM 408 N SER A 56 6.073 -1.041 -22.127 1.00 0.00 N ATOM 409 CA SER A 56 4.818 -0.398 -21.710 1.00 0.00 C ATOM 410 C SER A 56 4.762 -0.083 -20.203 1.00 0.00 C ATOM 411 O SER A 56 3.678 0.087 -19.650 1.00 0.00 O ATOM 412 CB SER A 56 3.657 -1.321 -22.103 1.00 0.00 C ATOM 413 OG SER A 56 3.777 -2.556 -21.419 1.00 0.00 O ATOM 0 H SER A 56 6.247 -1.894 -21.596 1.00 0.00 H new ATOM 0 HA SER A 56 4.748 0.565 -22.216 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.705 -0.849 -21.858 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.661 -1.489 -23.180 1.00 0.00 H new ATOM 0 HG SER A 56 2.957 -3.079 -21.541 1.00 0.00 H new ATOM 419 N VAL A 57 5.910 -0.050 -19.512 1.00 0.00 N ATOM 420 CA VAL A 57 6.068 -0.335 -18.065 1.00 0.00 C ATOM 421 C VAL A 57 4.968 0.224 -17.151 1.00 0.00 C ATOM 422 O VAL A 57 4.341 -0.540 -16.420 1.00 0.00 O ATOM 423 CB VAL A 57 7.462 0.074 -17.526 1.00 0.00 C ATOM 424 CG1 VAL A 57 7.753 -0.626 -16.192 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.618 -0.266 -18.477 1.00 0.00 C ATOM 0 H VAL A 57 6.796 0.185 -19.959 1.00 0.00 H new ATOM 0 HA VAL A 57 5.967 -1.419 -18.022 1.00 0.00 H new ATOM 0 HB VAL A 57 7.412 1.157 -17.413 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.736 -0.326 -15.830 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.996 -0.344 -15.460 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.734 -1.706 -16.336 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.561 0.050 -18.031 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.642 -1.342 -18.651 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.473 0.252 -19.425 1.00 0.00 H new ATOM 435 N GLY A 58 4.691 1.531 -17.193 1.00 0.00 N ATOM 436 CA GLY A 58 3.675 2.175 -16.343 1.00 0.00 C ATOM 437 C GLY A 58 2.250 1.669 -16.604 1.00 0.00 C ATOM 438 O GLY A 58 1.468 1.460 -15.675 1.00 0.00 O ATOM 0 H GLY A 58 5.167 2.179 -17.821 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.927 2.004 -15.296 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.705 3.252 -16.507 1.00 0.00 H new ATOM 442 N SER A 59 1.915 1.395 -17.864 1.00 0.00 N ATOM 443 CA SER A 59 0.675 0.716 -18.232 1.00 0.00 C ATOM 444 C SER A 59 0.683 -0.744 -17.792 1.00 0.00 C ATOM 445 O SER A 59 -0.343 -1.218 -17.313 1.00 0.00 O ATOM 446 CB SER A 59 0.465 0.773 -19.739 1.00 0.00 C ATOM 447 OG SER A 59 0.243 2.109 -20.164 1.00 0.00 O ATOM 0 H SER A 59 2.500 1.640 -18.663 1.00 0.00 H new ATOM 0 HA SER A 59 -0.138 1.233 -17.722 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.338 0.364 -20.249 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.386 0.152 -20.016 1.00 0.00 H new ATOM 0 HG SER A 59 0.112 2.126 -21.135 1.00 0.00 H new ATOM 453 N TYR A 60 1.817 -1.449 -17.885 1.00 0.00 N ATOM 454 CA TYR A 60 1.936 -2.831 -17.403 1.00 0.00 C ATOM 455 C TYR A 60 1.606 -2.930 -15.906 1.00 0.00 C ATOM 456 O TYR A 60 0.827 -3.787 -15.494 1.00 0.00 O ATOM 457 CB TYR A 60 3.329 -3.409 -17.698 1.00 0.00 C ATOM 458 CG TYR A 60 3.308 -4.914 -17.912 1.00 0.00 C ATOM 459 CD1 TYR A 60 3.075 -5.792 -16.833 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.469 -5.435 -19.209 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.969 -7.179 -17.062 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.400 -6.822 -19.439 1.00 0.00 C ATOM 463 CZ TYR A 60 3.126 -7.697 -18.366 1.00 0.00 C ATOM 464 OH TYR A 60 3.033 -9.039 -18.576 1.00 0.00 O ATOM 0 H TYR A 60 2.675 -1.080 -18.295 1.00 0.00 H new ATOM 0 HA TYR A 60 1.205 -3.430 -17.947 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.737 -2.926 -18.586 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.998 -3.173 -16.870 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.978 -5.401 -15.831 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.647 -4.764 -20.036 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.767 -7.847 -16.238 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.556 -7.215 -20.433 1.00 0.00 H new ATOM 0 HH TYR A 60 3.164 -9.231 -19.528 1.00 0.00 H new ATOM 474 N ILE A 61 2.144 -1.997 -15.111 1.00 0.00 N ATOM 475 CA ILE A 61 1.857 -1.815 -13.673 1.00 0.00 C ATOM 476 C ILE A 61 0.351 -1.685 -13.475 1.00 0.00 C ATOM 477 O ILE A 61 -0.270 -2.529 -12.825 1.00 0.00 O ATOM 478 CB ILE A 61 2.626 -0.596 -13.092 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.135 -0.893 -13.045 1.00 0.00 C ATOM 480 CG2 ILE A 61 2.141 -0.165 -11.692 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.983 0.312 -12.654 1.00 0.00 C ATOM 0 H ILE A 61 2.820 -1.318 -15.461 1.00 0.00 H new ATOM 0 HA ILE A 61 2.207 -2.689 -13.123 1.00 0.00 H new ATOM 0 HB ILE A 61 2.421 0.237 -13.765 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.316 -1.700 -12.335 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.457 -1.251 -14.023 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.724 0.691 -11.352 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.087 0.110 -11.741 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.268 -0.991 -10.993 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.035 0.028 -12.642 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.832 1.113 -13.377 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.689 0.658 -11.663 1.00 0.00 H new ATOM 493 N LYS A 62 -0.246 -0.648 -14.075 1.00 0.00 N ATOM 494 CA LYS A 62 -1.672 -0.358 -13.966 1.00 0.00 C ATOM 495 C LYS A 62 -2.537 -1.558 -14.360 1.00 0.00 C ATOM 496 O LYS A 62 -3.387 -1.977 -13.579 1.00 0.00 O ATOM 497 CB LYS A 62 -1.989 0.914 -14.777 1.00 0.00 C ATOM 498 CG LYS A 62 -3.433 1.398 -14.563 1.00 0.00 C ATOM 499 CD LYS A 62 -3.691 2.867 -14.949 1.00 0.00 C ATOM 500 CE LYS A 62 -4.162 3.088 -16.395 1.00 0.00 C ATOM 501 NZ LYS A 62 -3.101 2.850 -17.411 1.00 0.00 N ATOM 0 H LYS A 62 0.259 0.020 -14.657 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.923 -0.167 -12.923 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.297 1.706 -14.492 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.828 0.716 -15.837 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.103 0.763 -15.142 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.694 1.263 -13.513 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.440 3.278 -14.272 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.774 3.434 -14.791 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.004 2.426 -16.599 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.528 4.110 -16.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.462 3.098 -18.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.272 3.438 -17.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.827 1.847 -17.398 1.00 0.00 H new ATOM 515 N ARG A 63 -2.295 -2.169 -15.526 1.00 0.00 N ATOM 516 CA ARG A 63 -3.021 -3.364 -15.989 1.00 0.00 C ATOM 517 C ARG A 63 -2.913 -4.538 -15.017 1.00 0.00 C ATOM 518 O ARG A 63 -3.910 -5.224 -14.816 1.00 0.00 O ATOM 519 CB ARG A 63 -2.580 -3.800 -17.396 1.00 0.00 C ATOM 520 CG ARG A 63 -3.042 -2.832 -18.502 1.00 0.00 C ATOM 521 CD ARG A 63 -3.195 -3.550 -19.850 1.00 0.00 C ATOM 522 NE ARG A 63 -4.430 -4.365 -19.885 1.00 0.00 N ATOM 523 CZ ARG A 63 -4.694 -5.414 -20.644 1.00 0.00 C ATOM 524 NH1 ARG A 63 -3.822 -5.910 -21.473 1.00 0.00 N ATOM 525 NH2 ARG A 63 -5.862 -5.991 -20.577 1.00 0.00 N ATOM 0 H ARG A 63 -1.584 -1.847 -16.183 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.069 -3.068 -16.033 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.493 -3.879 -17.421 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.977 -4.794 -17.603 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.993 -2.381 -18.219 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.321 -2.020 -18.601 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.218 -2.816 -20.655 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.329 -4.189 -20.025 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.170 -4.081 -19.243 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.897 -5.488 -21.553 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.063 -6.721 -22.042 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.572 -5.632 -19.939 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.065 -6.801 -21.163 1.00 0.00 H new ATOM 539 N TYR A 64 -1.768 -4.755 -14.368 1.00 0.00 N ATOM 540 CA TYR A 64 -1.596 -5.847 -13.402 1.00 0.00 C ATOM 541 C TYR A 64 -2.452 -5.645 -12.146 1.00 0.00 C ATOM 542 O TYR A 64 -3.125 -6.553 -11.662 1.00 0.00 O ATOM 543 CB TYR A 64 -0.119 -5.981 -13.017 1.00 0.00 C ATOM 544 CG TYR A 64 0.246 -7.406 -12.649 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.198 -7.959 -11.431 1.00 0.00 C ATOM 546 CD2 TYR A 64 0.938 -8.214 -13.573 1.00 0.00 C ATOM 547 CE1 TYR A 64 0.018 -9.321 -11.157 1.00 0.00 C ATOM 548 CE2 TYR A 64 1.183 -9.573 -13.288 1.00 0.00 C ATOM 549 CZ TYR A 64 0.714 -10.132 -12.079 1.00 0.00 C ATOM 550 OH TYR A 64 0.905 -11.450 -11.800 1.00 0.00 O ATOM 0 H TYR A 64 -0.934 -4.182 -14.495 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.932 -6.766 -13.883 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.504 -5.651 -13.848 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.097 -5.323 -12.176 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.704 -7.336 -10.708 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.283 -7.790 -14.505 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.351 -9.749 -10.236 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.728 -10.184 -13.992 1.00 0.00 H new ATOM 0 HH TYR A 64 1.400 -11.871 -12.533 1.00 0.00 H new ATOM 560 N ILE A 65 -2.456 -4.415 -11.643 1.00 0.00 N ATOM 561 CA ILE A 65 -3.285 -3.945 -10.528 1.00 0.00 C ATOM 562 C ILE A 65 -4.771 -4.065 -10.869 1.00 0.00 C ATOM 563 O ILE A 65 -5.545 -4.521 -10.035 1.00 0.00 O ATOM 564 CB ILE A 65 -2.860 -2.512 -10.145 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.576 -2.582 -9.288 1.00 0.00 C ATOM 566 CG2 ILE A 65 -3.941 -1.724 -9.382 1.00 0.00 C ATOM 567 CD1 ILE A 65 -0.623 -1.412 -9.538 1.00 0.00 C ATOM 0 H ILE A 65 -1.854 -3.681 -12.016 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.129 -4.576 -9.653 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.690 -1.974 -11.078 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.851 -2.600 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.057 -3.517 -9.498 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.568 -0.727 -9.148 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.835 -1.641 -10.000 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.187 -2.246 -8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.259 -1.520 -8.906 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.321 -1.406 -10.585 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.127 -0.475 -9.301 1.00 0.00 H new ATOM 579 N LEU A 66 -5.174 -3.737 -12.100 1.00 0.00 N ATOM 580 CA LEU A 66 -6.562 -3.860 -12.564 1.00 0.00 C ATOM 581 C LEU A 66 -6.956 -5.334 -12.742 1.00 0.00 C ATOM 582 O LEU A 66 -8.087 -5.723 -12.437 1.00 0.00 O ATOM 583 CB LEU A 66 -6.714 -3.069 -13.875 1.00 0.00 C ATOM 584 CG LEU A 66 -7.000 -1.554 -13.732 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.430 -0.845 -12.498 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.441 -0.851 -14.968 1.00 0.00 C ATOM 0 H LEU A 66 -4.540 -3.374 -12.812 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.238 -3.445 -11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.800 -3.191 -14.457 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.522 -3.517 -14.453 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.082 -1.488 -13.619 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.705 0.209 -12.525 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.835 -1.303 -11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.344 -0.937 -12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.629 0.220 -14.894 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.367 -1.027 -15.032 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.927 -1.244 -15.861 1.00 0.00 H new ATOM 598 N LYS A 67 -6.006 -6.175 -13.163 1.00 0.00 N ATOM 599 CA LYS A 67 -6.151 -7.629 -13.253 1.00 0.00 C ATOM 600 C LYS A 67 -6.340 -8.271 -11.875 1.00 0.00 C ATOM 601 O LYS A 67 -7.186 -9.148 -11.717 1.00 0.00 O ATOM 602 CB LYS A 67 -4.952 -8.202 -14.026 1.00 0.00 C ATOM 603 CG LYS A 67 -5.132 -9.699 -14.321 1.00 0.00 C ATOM 604 CD LYS A 67 -4.093 -10.254 -15.307 1.00 0.00 C ATOM 605 CE LYS A 67 -4.347 -9.758 -16.738 1.00 0.00 C ATOM 606 NZ LYS A 67 -3.423 -10.400 -17.712 1.00 0.00 N ATOM 0 H LYS A 67 -5.086 -5.851 -13.460 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.060 -7.871 -13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.829 -7.658 -14.963 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.040 -8.052 -13.448 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.069 -10.256 -13.386 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.131 -9.865 -14.725 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.094 -9.955 -14.990 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.120 -11.344 -15.289 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.378 -9.970 -17.020 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.222 -8.676 -16.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.623 -10.042 -18.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.440 -10.177 -17.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.560 -11.431 -17.693 1.00 0.00 H new ATOM 620 N ALA A 68 -5.621 -7.782 -10.863 1.00 0.00 N ATOM 621 CA ALA A 68 -5.866 -8.124 -9.462 1.00 0.00 C ATOM 622 C ALA A 68 -7.215 -7.575 -8.948 1.00 0.00 C ATOM 623 O ALA A 68 -7.923 -8.265 -8.214 1.00 0.00 O ATOM 624 CB ALA A 68 -4.691 -7.619 -8.615 1.00 0.00 C ATOM 0 H ALA A 68 -4.846 -7.132 -10.995 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.937 -9.208 -9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.863 -7.869 -7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.769 -8.091 -8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.605 -6.538 -8.721 1.00 0.00 H new ATOM 630 N LEU A 69 -7.619 -6.366 -9.361 1.00 0.00 N ATOM 631 CA LEU A 69 -8.834 -5.680 -8.898 1.00 0.00 C ATOM 632 C LEU A 69 -10.099 -6.475 -9.242 1.00 0.00 C ATOM 633 O LEU A 69 -11.024 -6.540 -8.435 1.00 0.00 O ATOM 634 CB LEU A 69 -8.886 -4.247 -9.461 1.00 0.00 C ATOM 635 CG LEU A 69 -9.470 -3.198 -8.497 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.521 -2.913 -7.328 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.668 -1.882 -9.254 1.00 0.00 C ATOM 0 H LEU A 69 -7.095 -5.822 -10.046 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.795 -5.614 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.877 -3.943 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.480 -4.252 -10.375 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.410 -3.592 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.968 -2.168 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.346 -3.832 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.573 -2.536 -7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.081 -1.133 -8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.709 -1.535 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.355 -2.040 -10.085 1.00 0.00 H new ATOM 649 N ARG A 70 -10.085 -7.169 -10.389 1.00 0.00 N ATOM 650 CA ARG A 70 -11.107 -8.135 -10.829 1.00 0.00 C ATOM 651 C ARG A 70 -11.358 -9.294 -9.846 1.00 0.00 C ATOM 652 O ARG A 70 -12.432 -9.897 -9.892 1.00 0.00 O ATOM 653 CB ARG A 70 -10.757 -8.689 -12.224 1.00 0.00 C ATOM 654 CG ARG A 70 -11.202 -7.757 -13.360 1.00 0.00 C ATOM 655 CD ARG A 70 -10.869 -8.384 -14.722 1.00 0.00 C ATOM 656 NE ARG A 70 -11.641 -7.766 -15.821 1.00 0.00 N ATOM 657 CZ ARG A 70 -11.373 -6.663 -16.496 1.00 0.00 C ATOM 658 NH1 ARG A 70 -10.336 -5.919 -16.230 1.00 0.00 N ATOM 659 NH2 ARG A 70 -12.158 -6.282 -17.463 1.00 0.00 N ATOM 0 H ARG A 70 -9.329 -7.069 -11.066 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.040 -7.573 -10.868 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.680 -8.846 -12.289 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.229 -9.663 -12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.274 -7.571 -13.289 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.704 -6.792 -13.264 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.803 -8.273 -14.921 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.078 -9.453 -14.689 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.493 -8.256 -16.094 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.699 -6.182 -15.478 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.162 -5.074 -16.774 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.981 -6.836 -17.700 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.950 -5.430 -17.983 1.00 0.00 H new ATOM 673 N LYS A 71 -10.401 -9.591 -8.959 1.00 0.00 N ATOM 674 CA LYS A 71 -10.486 -10.608 -7.890 1.00 0.00 C ATOM 675 C LYS A 71 -10.604 -10.017 -6.478 1.00 0.00 C ATOM 676 O LYS A 71 -11.217 -10.642 -5.611 1.00 0.00 O ATOM 677 CB LYS A 71 -9.300 -11.583 -7.996 1.00 0.00 C ATOM 678 CG LYS A 71 -9.691 -12.964 -8.546 1.00 0.00 C ATOM 679 CD LYS A 71 -10.493 -13.800 -7.533 1.00 0.00 C ATOM 680 CE LYS A 71 -10.810 -15.181 -8.119 1.00 0.00 C ATOM 681 NZ LYS A 71 -11.584 -16.015 -7.162 1.00 0.00 N ATOM 0 H LYS A 71 -9.502 -9.109 -8.962 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.417 -11.153 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.537 -11.146 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.852 -11.707 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.281 -12.836 -9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.789 -13.508 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.924 -13.911 -6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.419 -13.284 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.377 -15.064 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.881 -15.689 -8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.781 -16.942 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.032 -16.147 -6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.481 -15.541 -6.935 1.00 0.00 H new ATOM 695 N ILE A 72 -10.046 -8.825 -6.242 1.00 0.00 N ATOM 696 CA ILE A 72 -10.167 -8.078 -4.976 1.00 0.00 C ATOM 697 C ILE A 72 -11.614 -7.587 -4.756 1.00 0.00 C ATOM 698 O ILE A 72 -12.142 -7.708 -3.647 1.00 0.00 O ATOM 699 CB ILE A 72 -9.152 -6.908 -4.936 1.00 0.00 C ATOM 700 CG1 ILE A 72 -7.687 -7.409 -4.992 1.00 0.00 C ATOM 701 CG2 ILE A 72 -9.329 -6.067 -3.659 1.00 0.00 C ATOM 702 CD1 ILE A 72 -6.690 -6.323 -5.427 1.00 0.00 C ATOM 0 H ILE A 72 -9.484 -8.338 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.929 -8.753 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.353 -6.298 -5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.400 -7.783 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.624 -8.249 -5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.604 -5.253 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.338 -5.655 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.170 -6.697 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.683 -6.740 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.953 -5.965 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.726 -5.492 -4.722 1.00 0.00 H new ATOM 714 N GLU A 73 -12.265 -7.050 -5.799 1.00 0.00 N ATOM 715 CA GLU A 73 -13.672 -6.593 -5.811 1.00 0.00 C ATOM 716 C GLU A 73 -14.681 -7.730 -5.539 1.00 0.00 C ATOM 717 O GLU A 73 -15.459 -7.610 -4.564 1.00 0.00 O ATOM 718 CB GLU A 73 -13.942 -5.862 -7.141 1.00 0.00 C ATOM 719 CG GLU A 73 -15.281 -5.107 -7.222 1.00 0.00 C ATOM 720 CD GLU A 73 -16.489 -5.979 -7.648 1.00 0.00 C ATOM 721 OE1 GLU A 73 -16.485 -6.536 -8.776 1.00 0.00 O ATOM 722 OE2 GLU A 73 -17.498 -6.045 -6.900 1.00 0.00 O ATOM 0 H GLU A 73 -11.808 -6.914 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.821 -5.898 -4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.133 -5.152 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.907 -6.591 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.494 -4.666 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.177 -4.284 -7.929 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 15.615 7.067 -5.640 1.00 0.00 N ATOM 731 CA THR B 31 14.578 6.068 -5.955 1.00 0.00 C ATOM 732 C THR B 31 14.056 6.194 -7.397 1.00 0.00 C ATOM 733 O THR B 31 14.459 7.094 -8.141 1.00 0.00 O ATOM 734 CB THR B 31 13.453 6.180 -4.914 1.00 0.00 C ATOM 735 OG1 THR B 31 12.602 5.062 -4.990 1.00 0.00 O ATOM 736 CG2 THR B 31 12.614 7.462 -4.993 1.00 0.00 C ATOM 0 HA THR B 31 15.018 5.072 -5.900 1.00 0.00 H new ATOM 0 HB THR B 31 13.968 6.219 -3.954 1.00 0.00 H new ATOM 0 HG1 THR B 31 12.350 4.780 -4.086 1.00 0.00 H new ATOM 0 HG21 THR B 31 11.848 7.444 -4.217 1.00 0.00 H new ATOM 0 HG22 THR B 31 13.259 8.328 -4.846 1.00 0.00 H new ATOM 0 HG23 THR B 31 12.138 7.526 -5.971 1.00 0.00 H new ATOM 744 N ARG B 32 13.178 5.271 -7.807 1.00 0.00 N ATOM 745 CA ARG B 32 12.478 5.259 -9.107 1.00 0.00 C ATOM 746 C ARG B 32 11.225 6.142 -9.062 1.00 0.00 C ATOM 747 O ARG B 32 10.771 6.534 -7.990 1.00 0.00 O ATOM 748 CB ARG B 32 12.123 3.805 -9.494 1.00 0.00 C ATOM 749 CG ARG B 32 13.350 2.922 -9.782 1.00 0.00 C ATOM 750 CD ARG B 32 13.968 3.228 -11.154 1.00 0.00 C ATOM 751 NE ARG B 32 15.233 2.492 -11.357 1.00 0.00 N ATOM 752 CZ ARG B 32 15.754 2.083 -12.501 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.127 2.206 -13.635 1.00 0.00 N ATOM 754 NH2 ARG B 32 16.939 1.539 -12.526 1.00 0.00 N ATOM 0 H ARG B 32 12.922 4.477 -7.221 1.00 0.00 H new ATOM 0 HA ARG B 32 13.140 5.671 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG B 32 11.544 3.355 -8.687 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.482 3.820 -10.376 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.098 3.076 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.059 1.872 -9.741 1.00 0.00 H new ATOM 0 HD2 ARG B 32 13.261 2.961 -11.940 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.152 4.299 -11.240 1.00 0.00 H new ATOM 0 HE ARG B 32 15.767 2.274 -10.516 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.200 2.631 -13.662 1.00 0.00 H new ATOM 0 HH12 ARG B 32 15.563 1.878 -14.497 1.00 0.00 H new ATOM 0 HH21 ARG B 32 17.467 1.428 -11.661 1.00 0.00 H new ATOM 0 HH22 ARG B 32 17.337 1.225 -13.411 1.00 0.00 H new ATOM 768 N ALA B 33 10.647 6.428 -10.226 1.00 0.00 N ATOM 769 CA ALA B 33 9.472 7.288 -10.399 1.00 0.00 C ATOM 770 C ALA B 33 8.362 6.557 -11.176 1.00 0.00 C ATOM 771 O ALA B 33 8.518 6.245 -12.360 1.00 0.00 O ATOM 772 CB ALA B 33 9.909 8.595 -11.074 1.00 0.00 C ATOM 0 H ALA B 33 10.995 6.055 -11.109 1.00 0.00 H new ATOM 0 HA ALA B 33 9.043 7.534 -9.428 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.043 9.243 -11.208 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.646 9.099 -10.448 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.350 8.373 -12.046 1.00 0.00 H new ATOM 778 N VAL B 34 7.252 6.256 -10.497 1.00 0.00 N ATOM 779 CA VAL B 34 6.127 5.444 -10.983 1.00 0.00 C ATOM 780 C VAL B 34 4.825 6.204 -10.760 1.00 0.00 C ATOM 781 O VAL B 34 4.211 6.105 -9.704 1.00 0.00 O ATOM 782 CB VAL B 34 6.130 4.050 -10.324 1.00 0.00 C ATOM 783 CG1 VAL B 34 4.919 3.213 -10.739 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.391 3.270 -10.727 1.00 0.00 C ATOM 0 H VAL B 34 7.103 6.588 -9.544 1.00 0.00 H new ATOM 0 HA VAL B 34 6.230 5.270 -12.054 1.00 0.00 H new ATOM 0 HB VAL B 34 6.100 4.219 -9.248 1.00 0.00 H new ATOM 0 HG11 VAL B 34 4.964 2.240 -10.250 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.004 3.726 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL B 34 4.925 3.076 -11.820 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.378 2.288 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.414 3.150 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.276 3.817 -10.403 1.00 0.00 H new ATOM 794 N SER B 35 4.421 6.996 -11.751 1.00 0.00 N ATOM 795 CA SER B 35 3.258 7.892 -11.680 1.00 0.00 C ATOM 796 C SER B 35 2.209 7.567 -12.734 1.00 0.00 C ATOM 797 O SER B 35 2.471 7.636 -13.939 1.00 0.00 O ATOM 798 CB SER B 35 3.682 9.357 -11.745 1.00 0.00 C ATOM 799 OG SER B 35 2.563 10.195 -11.512 1.00 0.00 O ATOM 0 H SER B 35 4.902 7.037 -12.650 1.00 0.00 H new ATOM 0 HA SER B 35 2.788 7.723 -10.711 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.455 9.554 -11.002 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.114 9.576 -12.721 1.00 0.00 H new ATOM 0 HG SER B 35 2.843 11.133 -11.553 1.00 0.00 H new ATOM 805 N LEU B 36 1.028 7.171 -12.258 1.00 0.00 N ATOM 806 CA LEU B 36 -0.097 6.698 -13.059 1.00 0.00 C ATOM 807 C LEU B 36 -1.282 7.675 -12.984 1.00 0.00 C ATOM 808 O LEU B 36 -1.403 8.473 -12.050 1.00 0.00 O ATOM 809 CB LEU B 36 -0.526 5.293 -12.584 1.00 0.00 C ATOM 810 CG LEU B 36 0.490 4.130 -12.618 1.00 0.00 C ATOM 811 CD1 LEU B 36 1.354 4.103 -13.876 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.396 4.079 -11.390 1.00 0.00 C ATOM 0 H LEU B 36 0.822 7.172 -11.259 1.00 0.00 H new ATOM 0 HA LEU B 36 0.222 6.641 -14.100 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.876 5.390 -11.556 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.384 4.994 -13.186 1.00 0.00 H new ATOM 0 HG LEU B 36 -0.144 3.243 -12.621 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.042 3.259 -13.827 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.716 4.000 -14.754 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.922 5.031 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.084 3.239 -11.480 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.964 5.007 -11.318 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.788 3.955 -10.494 1.00 0.00 H new ATOM 824 N TYR B 37 -2.193 7.549 -13.950 1.00 0.00 N ATOM 825 CA TYR B 37 -3.407 8.355 -14.095 1.00 0.00 C ATOM 826 C TYR B 37 -4.646 7.466 -13.940 1.00 0.00 C ATOM 827 O TYR B 37 -5.245 7.005 -14.915 1.00 0.00 O ATOM 828 CB TYR B 37 -3.360 9.127 -15.422 1.00 0.00 C ATOM 829 CG TYR B 37 -2.349 10.259 -15.412 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.738 11.531 -14.953 1.00 0.00 C ATOM 831 CD2 TYR B 37 -1.018 10.036 -15.819 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.806 12.585 -14.909 1.00 0.00 C ATOM 833 CE2 TYR B 37 -0.077 11.084 -15.766 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.471 12.365 -15.313 1.00 0.00 C ATOM 835 OH TYR B 37 0.426 13.388 -15.263 1.00 0.00 O ATOM 0 H TYR B 37 -2.101 6.850 -14.687 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.468 9.103 -13.304 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -3.117 8.437 -16.230 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.349 9.532 -15.636 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.756 11.699 -14.633 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.719 9.060 -16.172 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -2.112 13.562 -14.566 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.944 10.909 -16.071 1.00 0.00 H new ATOM 0 HH TYR B 37 1.300 13.072 -15.573 1.00 0.00 H new ATOM 845 N PHE B 38 -4.988 7.180 -12.685 1.00 0.00 N ATOM 846 CA PHE B 38 -6.178 6.459 -12.262 1.00 0.00 C ATOM 847 C PHE B 38 -7.424 7.356 -12.373 1.00 0.00 C ATOM 848 O PHE B 38 -7.340 8.544 -12.697 1.00 0.00 O ATOM 849 CB PHE B 38 -5.913 5.992 -10.821 1.00 0.00 C ATOM 850 CG PHE B 38 -5.161 4.668 -10.721 1.00 0.00 C ATOM 851 CD1 PHE B 38 -3.976 4.440 -11.450 1.00 0.00 C ATOM 852 CD2 PHE B 38 -5.693 3.617 -9.951 1.00 0.00 C ATOM 853 CE1 PHE B 38 -3.387 3.164 -11.464 1.00 0.00 C ATOM 854 CE2 PHE B 38 -5.126 2.330 -10.010 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.971 2.102 -10.767 1.00 0.00 C ATOM 0 H PHE B 38 -4.407 7.463 -11.896 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.379 5.598 -12.900 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.342 6.761 -10.301 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.866 5.896 -10.301 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -3.519 5.249 -12.000 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -6.543 3.799 -9.310 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -2.474 3.002 -12.019 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -5.584 1.515 -9.469 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.535 1.115 -10.812 1.00 0.00 H new ATOM 865 N SER B 39 -8.598 6.806 -12.068 1.00 0.00 N ATOM 866 CA SER B 39 -9.830 7.577 -11.880 1.00 0.00 C ATOM 867 C SER B 39 -10.615 7.067 -10.669 1.00 0.00 C ATOM 868 O SER B 39 -10.165 6.147 -9.984 1.00 0.00 O ATOM 869 CB SER B 39 -10.651 7.573 -13.178 1.00 0.00 C ATOM 870 OG SER B 39 -11.661 8.570 -13.132 1.00 0.00 O ATOM 0 H SER B 39 -8.724 5.802 -11.943 1.00 0.00 H new ATOM 0 HA SER B 39 -9.581 8.615 -11.660 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.995 7.751 -14.030 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.106 6.593 -13.324 1.00 0.00 H new ATOM 0 HG SER B 39 -12.174 8.555 -13.967 1.00 0.00 H new ATOM 876 N ASP B 40 -11.757 7.688 -10.375 1.00 0.00 N ATOM 877 CA ASP B 40 -12.516 7.532 -9.130 1.00 0.00 C ATOM 878 C ASP B 40 -12.712 6.075 -8.696 1.00 0.00 C ATOM 879 O ASP B 40 -12.335 5.734 -7.584 1.00 0.00 O ATOM 880 CB ASP B 40 -13.857 8.275 -9.228 1.00 0.00 C ATOM 881 CG ASP B 40 -13.709 9.767 -8.894 1.00 0.00 C ATOM 882 OD1 ASP B 40 -13.133 10.082 -7.823 1.00 0.00 O ATOM 883 OD2 ASP B 40 -14.188 10.620 -9.676 1.00 0.00 O ATOM 0 H ASP B 40 -12.198 8.341 -11.023 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.912 7.983 -8.343 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.260 8.166 -10.235 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.575 7.820 -8.546 1.00 0.00 H new ATOM 888 N GLU B 41 -13.234 5.193 -9.551 1.00 0.00 N ATOM 889 CA GLU B 41 -13.413 3.762 -9.250 1.00 0.00 C ATOM 890 C GLU B 41 -12.126 3.084 -8.766 1.00 0.00 C ATOM 891 O GLU B 41 -12.064 2.543 -7.663 1.00 0.00 O ATOM 892 CB GLU B 41 -13.914 3.064 -10.521 1.00 0.00 C ATOM 893 CG GLU B 41 -15.361 3.441 -10.851 1.00 0.00 C ATOM 894 CD GLU B 41 -16.399 2.512 -10.184 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.077 1.842 -9.171 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.554 2.448 -10.674 1.00 0.00 O ATOM 0 H GLU B 41 -13.550 5.451 -10.486 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.133 3.678 -8.436 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.270 3.331 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -13.841 1.984 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.544 4.467 -10.533 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.499 3.413 -11.932 1.00 0.00 H new ATOM 903 N GLN B 42 -11.092 3.136 -9.605 1.00 0.00 N ATOM 904 CA GLN B 42 -9.758 2.575 -9.364 1.00 0.00 C ATOM 905 C GLN B 42 -9.132 3.128 -8.068 1.00 0.00 C ATOM 906 O GLN B 42 -8.562 2.375 -7.278 1.00 0.00 O ATOM 907 CB GLN B 42 -8.872 2.851 -10.592 1.00 0.00 C ATOM 908 CG GLN B 42 -9.423 2.339 -11.937 1.00 0.00 C ATOM 909 CD GLN B 42 -8.632 2.900 -13.122 1.00 0.00 C ATOM 910 OE1 GLN B 42 -7.415 2.823 -13.200 1.00 0.00 O ATOM 911 NE2 GLN B 42 -9.285 3.507 -14.090 1.00 0.00 N ATOM 0 H GLN B 42 -11.162 3.591 -10.515 1.00 0.00 H new ATOM 0 HA GLN B 42 -9.843 1.498 -9.222 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.714 3.927 -10.670 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.896 2.397 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -9.384 1.250 -11.956 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -10.471 2.622 -12.032 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -10.301 3.585 -14.049 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -8.775 3.900 -14.881 1.00 0.00 H new ATOM 920 N TYR B 43 -9.263 4.436 -7.817 1.00 0.00 N ATOM 921 CA TYR B 43 -8.708 5.114 -6.642 1.00 0.00 C ATOM 922 C TYR B 43 -9.497 4.815 -5.355 1.00 0.00 C ATOM 923 O TYR B 43 -8.909 4.574 -4.300 1.00 0.00 O ATOM 924 CB TYR B 43 -8.669 6.620 -6.923 1.00 0.00 C ATOM 925 CG TYR B 43 -7.753 7.400 -5.999 1.00 0.00 C ATOM 926 CD1 TYR B 43 -8.219 7.866 -4.754 1.00 0.00 C ATOM 927 CD2 TYR B 43 -6.430 7.674 -6.398 1.00 0.00 C ATOM 928 CE1 TYR B 43 -7.365 8.601 -3.909 1.00 0.00 C ATOM 929 CE2 TYR B 43 -5.581 8.430 -5.568 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.044 8.890 -4.315 1.00 0.00 C ATOM 931 OH TYR B 43 -5.229 9.613 -3.499 1.00 0.00 O ATOM 0 H TYR B 43 -9.769 5.066 -8.440 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.701 4.735 -6.469 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.349 6.778 -7.953 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.679 7.021 -6.838 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -9.234 7.659 -4.447 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -6.066 7.303 -7.344 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -7.721 8.944 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -4.575 8.658 -5.889 1.00 0.00 H new ATOM 0 HH TYR B 43 -4.353 9.723 -3.925 1.00 0.00 H new ATOM 941 N GLN B 44 -10.829 4.782 -5.431 1.00 0.00 N ATOM 942 CA GLN B 44 -11.706 4.489 -4.297 1.00 0.00 C ATOM 943 C GLN B 44 -11.612 3.024 -3.871 1.00 0.00 C ATOM 944 O GLN B 44 -11.648 2.739 -2.677 1.00 0.00 O ATOM 945 CB GLN B 44 -13.171 4.853 -4.592 1.00 0.00 C ATOM 946 CG GLN B 44 -13.563 6.282 -4.168 1.00 0.00 C ATOM 947 CD GLN B 44 -12.960 7.406 -5.018 1.00 0.00 C ATOM 948 OE1 GLN B 44 -11.785 7.737 -4.932 1.00 0.00 O ATOM 949 NE2 GLN B 44 -13.757 8.085 -5.817 1.00 0.00 N ATOM 0 H GLN B 44 -11.337 4.961 -6.297 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.357 5.113 -3.474 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.354 4.740 -5.661 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.821 4.143 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -14.649 6.368 -4.200 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -13.262 6.431 -3.131 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.739 7.823 -5.901 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -13.392 8.873 -6.352 1.00 0.00 H new ATOM 958 N LYS B 45 -11.445 2.084 -4.809 1.00 0.00 N ATOM 959 CA LYS B 45 -11.151 0.684 -4.518 1.00 0.00 C ATOM 960 C LYS B 45 -9.809 0.518 -3.791 1.00 0.00 C ATOM 961 O LYS B 45 -9.754 -0.201 -2.796 1.00 0.00 O ATOM 962 CB LYS B 45 -11.263 -0.085 -5.836 1.00 0.00 C ATOM 963 CG LYS B 45 -12.745 -0.356 -6.163 1.00 0.00 C ATOM 964 CD LYS B 45 -12.968 -0.868 -7.593 1.00 0.00 C ATOM 965 CE LYS B 45 -14.403 -1.373 -7.817 1.00 0.00 C ATOM 966 NZ LYS B 45 -15.444 -0.333 -7.592 1.00 0.00 N ATOM 0 H LYS B 45 -11.512 2.283 -5.807 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.870 0.266 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -10.803 0.488 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.720 -1.027 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -13.138 -1.088 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -13.315 0.562 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -12.753 -0.067 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -12.265 -1.675 -7.801 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.492 -1.749 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.591 -2.214 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -16.387 -0.769 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -15.311 0.094 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -15.363 0.403 -8.322 1.00 0.00 H new ATOM 980 N LEU B 46 -8.768 1.265 -4.174 1.00 0.00 N ATOM 981 CA LEU B 46 -7.531 1.385 -3.399 1.00 0.00 C ATOM 982 C LEU B 46 -7.750 1.956 -1.998 1.00 0.00 C ATOM 983 O LEU B 46 -7.207 1.423 -1.037 1.00 0.00 O ATOM 984 CB LEU B 46 -6.541 2.233 -4.202 1.00 0.00 C ATOM 985 CG LEU B 46 -5.549 1.411 -5.026 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.359 0.990 -4.145 1.00 0.00 C ATOM 987 CD2 LEU B 46 -6.129 0.199 -5.758 1.00 0.00 C ATOM 0 H LEU B 46 -8.761 1.807 -5.038 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.128 0.385 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.098 2.889 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -5.986 2.873 -3.516 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.227 2.078 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.656 0.405 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -3.858 1.879 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.719 0.388 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.336 -0.307 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.564 -0.489 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -6.900 0.529 -6.454 1.00 0.00 H new ATOM 999 N GLU B 47 -8.564 2.997 -1.846 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.951 3.511 -0.525 1.00 0.00 C ATOM 1001 C GLU B 47 -9.713 2.470 0.324 1.00 0.00 C ATOM 1002 O GLU B 47 -9.463 2.344 1.525 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.731 4.824 -0.680 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.938 5.552 0.653 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.680 6.886 0.444 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.935 6.887 0.410 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -10.016 7.945 0.325 1.00 0.00 O ATOM 0 H GLU B 47 -8.975 3.509 -2.627 1.00 0.00 H new ATOM 0 HA GLU B 47 -8.038 3.720 0.032 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.197 5.480 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.702 4.614 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.507 4.918 1.333 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.973 5.739 1.123 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.581 1.666 -0.302 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.343 0.577 0.329 1.00 0.00 C ATOM 1016 C LYS B 48 -10.417 -0.500 0.903 1.00 0.00 C ATOM 1017 O LYS B 48 -10.626 -0.975 2.018 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.329 -0.028 -0.692 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.496 -0.799 -0.049 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.619 0.101 0.493 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.396 0.778 -0.647 1.00 0.00 C ATOM 1022 NZ LYS B 48 -16.540 1.575 -0.134 1.00 0.00 N ATOM 0 H LYS B 48 -10.781 1.758 -1.298 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.907 0.991 1.165 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.733 0.773 -1.311 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -11.784 -0.700 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.917 -1.482 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.109 -1.410 0.767 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -15.303 -0.493 1.099 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -14.193 0.862 1.147 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -14.725 1.426 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -15.762 0.019 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -17.041 2.017 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -17.193 0.952 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -16.188 2.315 0.507 1.00 0.00 H new ATOM 1036 N MET B 49 -9.368 -0.851 0.157 1.00 0.00 N ATOM 1037 CA MET B 49 -8.296 -1.763 0.529 1.00 0.00 C ATOM 1038 C MET B 49 -7.419 -1.162 1.639 1.00 0.00 C ATOM 1039 O MET B 49 -7.158 -1.798 2.659 1.00 0.00 O ATOM 1040 CB MET B 49 -7.482 -1.996 -0.749 1.00 0.00 C ATOM 1041 CG MET B 49 -8.169 -2.921 -1.762 1.00 0.00 C ATOM 1042 SD MET B 49 -7.650 -2.680 -3.488 1.00 0.00 S ATOM 1043 CE MET B 49 -5.853 -2.840 -3.339 1.00 0.00 C ATOM 0 H MET B 49 -9.241 -0.479 -0.784 1.00 0.00 H new ATOM 0 HA MET B 49 -8.691 -2.698 0.926 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.286 -1.035 -1.224 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.515 -2.422 -0.480 1.00 0.00 H new ATOM 0 HG2 MET B 49 -7.973 -3.955 -1.479 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.247 -2.771 -1.697 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.401 -2.804 -4.330 1.00 0.00 H new ATOM 0 HE2 MET B 49 -5.464 -2.022 -2.733 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.611 -3.791 -2.864 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.002 0.092 1.464 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.144 0.854 2.366 1.00 0.00 C ATOM 1055 C ALA B 50 -6.731 1.061 3.763 1.00 0.00 C ATOM 1056 O ALA B 50 -5.971 1.094 4.726 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.836 2.185 1.683 1.00 0.00 C ATOM 0 H ALA B 50 -7.270 0.632 0.642 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.234 0.281 2.545 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.195 2.785 2.328 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.327 1.999 0.737 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.766 2.722 1.496 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.054 1.140 3.921 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.702 1.163 5.236 1.00 0.00 C ATOM 1065 C ASN B 51 -8.370 -0.078 6.089 1.00 0.00 C ATOM 1066 O ASN B 51 -8.262 0.027 7.310 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.205 1.330 5.013 1.00 0.00 C ATOM 1068 CG ASN B 51 -10.994 1.390 6.312 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -11.130 2.437 6.930 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.545 0.289 6.771 1.00 0.00 N ATOM 0 H ASN B 51 -8.708 1.190 3.140 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.317 2.003 5.814 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.383 2.242 4.443 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.572 0.500 4.409 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.082 0.311 7.638 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -11.435 -0.587 6.261 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.119 -1.229 5.459 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.730 -2.472 6.128 1.00 0.00 C ATOM 1079 C GLU B 52 -6.244 -2.493 6.550 1.00 0.00 C ATOM 1080 O GLU B 52 -5.841 -3.303 7.387 1.00 0.00 O ATOM 1081 CB GLU B 52 -8.071 -3.693 5.252 1.00 0.00 C ATOM 1082 CG GLU B 52 -9.496 -3.680 4.666 1.00 0.00 C ATOM 1083 CD GLU B 52 -10.580 -3.461 5.740 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -10.868 -4.406 6.515 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -11.154 -2.346 5.815 1.00 0.00 O ATOM 0 H GLU B 52 -8.182 -1.324 4.445 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.311 -2.525 7.049 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -7.355 -3.748 4.432 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -7.944 -4.598 5.847 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -9.569 -2.892 3.916 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -9.683 -4.624 4.155 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.439 -1.560 6.027 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.081 -1.210 6.480 1.00 0.00 C ATOM 1094 C GLU B 53 -4.075 0.101 7.303 1.00 0.00 C ATOM 1095 O GLU B 53 -3.027 0.582 7.735 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.164 -1.150 5.242 1.00 0.00 C ATOM 1097 CG GLU B 53 -1.652 -1.230 5.509 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.246 -2.555 6.188 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -1.078 -3.578 5.481 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -1.077 -2.583 7.431 1.00 0.00 O ATOM 0 H GLU B 53 -5.732 -0.995 5.230 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.701 -1.972 7.160 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.437 -1.967 4.574 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.369 -0.221 4.710 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.113 -1.127 4.567 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.352 -0.394 6.141 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.262 0.663 7.559 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.524 1.907 8.292 1.00 0.00 C ATOM 1109 C GLU B 54 -4.929 3.142 7.582 1.00 0.00 C ATOM 1110 O GLU B 54 -4.127 3.896 8.137 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.146 1.741 9.778 1.00 0.00 C ATOM 1112 CG GLU B 54 -5.928 2.713 10.670 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.506 2.577 12.145 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -6.078 1.726 12.871 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -4.608 3.328 12.602 1.00 0.00 O ATOM 0 H GLU B 54 -6.127 0.229 7.236 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.594 2.113 8.287 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.345 0.717 10.093 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.077 1.911 9.903 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -5.759 3.736 10.333 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -6.996 2.519 10.575 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.368 3.346 6.333 1.00 0.00 N ATOM 1123 CA GLU B 55 -4.948 4.389 5.381 1.00 0.00 C ATOM 1124 C GLU B 55 -3.463 4.310 4.965 1.00 0.00 C ATOM 1125 O GLU B 55 -2.553 4.850 5.597 1.00 0.00 O ATOM 1126 CB GLU B 55 -5.386 5.776 5.857 1.00 0.00 C ATOM 1127 CG GLU B 55 -5.279 6.847 4.763 1.00 0.00 C ATOM 1128 CD GLU B 55 -5.657 8.235 5.314 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -6.867 8.565 5.368 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -4.746 9.014 5.693 1.00 0.00 O ATOM 0 H GLU B 55 -6.082 2.740 5.928 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.477 4.190 4.449 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.417 5.725 6.208 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -4.773 6.072 6.709 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -4.262 6.872 4.371 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -5.935 6.590 3.932 1.00 0.00 H new ATOM 1137 N SER B 56 -3.252 3.637 3.834 1.00 0.00 N ATOM 1138 CA SER B 56 -1.982 3.415 3.127 1.00 0.00 C ATOM 1139 C SER B 56 -2.195 3.560 1.605 1.00 0.00 C ATOM 1140 O SER B 56 -1.723 2.760 0.796 1.00 0.00 O ATOM 1141 CB SER B 56 -1.430 2.040 3.535 1.00 0.00 C ATOM 1142 OG SER B 56 -0.046 1.933 3.248 1.00 0.00 O ATOM 0 H SER B 56 -4.029 3.194 3.344 1.00 0.00 H new ATOM 0 HA SER B 56 -1.241 4.165 3.404 1.00 0.00 H new ATOM 0 HB2 SER B 56 -1.596 1.881 4.601 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.974 1.257 3.008 1.00 0.00 H new ATOM 0 HG SER B 56 0.277 1.049 3.520 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.023 4.533 1.196 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.523 4.649 -0.188 1.00 0.00 C ATOM 1150 C VAL B 57 -2.380 4.935 -1.169 1.00 0.00 C ATOM 1151 O VAL B 57 -1.546 5.811 -0.939 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.619 5.730 -0.355 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.426 5.483 -1.638 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -5.621 5.795 0.805 1.00 0.00 C ATOM 0 H VAL B 57 -3.368 5.266 1.816 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.974 3.683 -0.416 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.075 6.674 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.192 6.252 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.759 5.519 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.900 4.503 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.354 6.577 0.609 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -6.130 4.836 0.900 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -5.091 6.018 1.731 1.00 0.00 H new ATOM 1164 N GLY B 58 -2.320 4.166 -2.259 1.00 0.00 N ATOM 1165 CA GLY B 58 -1.262 4.211 -3.276 1.00 0.00 C ATOM 1166 C GLY B 58 -0.078 3.329 -2.887 1.00 0.00 C ATOM 1167 O GLY B 58 0.404 2.533 -3.689 1.00 0.00 O ATOM 0 H GLY B 58 -3.034 3.468 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -1.663 3.883 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -0.924 5.239 -3.407 1.00 0.00 H new ATOM 1171 N SER B 59 0.344 3.379 -1.626 1.00 0.00 N ATOM 1172 CA SER B 59 1.343 2.466 -1.067 1.00 0.00 C ATOM 1173 C SER B 59 0.857 1.014 -1.106 1.00 0.00 C ATOM 1174 O SER B 59 1.640 0.112 -1.405 1.00 0.00 O ATOM 1175 CB SER B 59 1.658 2.885 0.368 1.00 0.00 C ATOM 1176 OG SER B 59 2.164 4.212 0.424 1.00 0.00 O ATOM 0 H SER B 59 -0.002 4.063 -0.953 1.00 0.00 H new ATOM 0 HA SER B 59 2.247 2.523 -1.673 1.00 0.00 H new ATOM 0 HB2 SER B 59 0.756 2.813 0.976 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.387 2.198 0.797 1.00 0.00 H new ATOM 0 HG SER B 59 2.354 4.451 1.355 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.449 0.791 -0.918 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.117 -0.496 -1.133 1.00 0.00 C ATOM 1184 C TYR B 60 -0.966 -1.002 -2.581 1.00 0.00 C ATOM 1185 O TYR B 60 -0.716 -2.183 -2.801 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.599 -0.358 -0.756 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.224 -1.615 -0.180 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.476 -2.726 -1.007 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.573 -1.667 1.185 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.099 -3.873 -0.481 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.199 -2.814 1.713 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.468 -3.920 0.880 1.00 0.00 C ATOM 1193 OH TYR B 60 -5.088 -5.027 1.373 1.00 0.00 O ATOM 0 H TYR B 60 -1.087 1.522 -0.603 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.638 -1.240 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.702 0.449 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.160 -0.063 -1.643 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.190 -2.698 -2.048 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.360 -0.826 1.828 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.295 -4.720 -1.121 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.473 -2.846 2.757 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.274 -4.900 2.327 1.00 0.00 H new ATOM 1203 N ILE B 61 -1.073 -0.099 -3.568 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.902 -0.378 -5.014 1.00 0.00 C ATOM 1205 C ILE B 61 0.465 -0.991 -5.275 1.00 0.00 C ATOM 1206 O ILE B 61 0.576 -2.048 -5.898 1.00 0.00 O ATOM 1207 CB ILE B 61 -1.148 0.899 -5.878 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.275 0.623 -6.885 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.049 1.474 -6.678 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.874 1.896 -7.484 1.00 0.00 C ATOM 0 H ILE B 61 -1.288 0.881 -3.382 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.656 -1.105 -5.316 1.00 0.00 H new ATOM 0 HB ILE B 61 -1.385 1.656 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -1.889 -0.002 -7.690 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -3.064 0.056 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -0.272 2.358 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.849 1.746 -5.990 1.00 0.00 H new ATOM 0 HG23 ILE B 61 0.413 0.723 -7.379 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.664 1.631 -8.187 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -3.289 2.513 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.096 2.453 -8.006 1.00 0.00 H new ATOM 1222 N LYS B 62 1.499 -0.342 -4.727 1.00 0.00 N ATOM 1223 CA LYS B 62 2.876 -0.816 -4.767 1.00 0.00 C ATOM 1224 C LYS B 62 2.960 -2.191 -4.119 1.00 0.00 C ATOM 1225 O LYS B 62 3.295 -3.150 -4.804 1.00 0.00 O ATOM 1226 CB LYS B 62 3.803 0.248 -4.148 1.00 0.00 C ATOM 1227 CG LYS B 62 5.287 -0.088 -4.354 1.00 0.00 C ATOM 1228 CD LYS B 62 6.235 1.089 -4.052 1.00 0.00 C ATOM 1229 CE LYS B 62 7.041 0.935 -2.752 1.00 0.00 C ATOM 1230 NZ LYS B 62 6.204 1.059 -1.526 1.00 0.00 N ATOM 0 H LYS B 62 1.393 0.545 -4.235 1.00 0.00 H new ATOM 0 HA LYS B 62 3.222 -0.951 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.587 1.219 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.596 0.332 -3.081 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.552 -0.930 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.438 -0.410 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.929 1.204 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.649 2.007 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.534 -0.037 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.826 1.691 -2.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 6.803 0.946 -0.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 5.753 1.996 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 5.471 0.322 -1.530 1.00 0.00 H new ATOM 1244 N ARG B 63 2.547 -2.312 -2.851 1.00 0.00 N ATOM 1245 CA ARG B 63 2.498 -3.554 -2.048 1.00 0.00 C ATOM 1246 C ARG B 63 1.921 -4.740 -2.822 1.00 0.00 C ATOM 1247 O ARG B 63 2.484 -5.828 -2.775 1.00 0.00 O ATOM 1248 CB ARG B 63 1.700 -3.321 -0.744 1.00 0.00 C ATOM 1249 CG ARG B 63 2.485 -3.621 0.540 1.00 0.00 C ATOM 1250 CD ARG B 63 3.623 -2.616 0.777 1.00 0.00 C ATOM 1251 NE ARG B 63 4.180 -2.729 2.141 1.00 0.00 N ATOM 1252 CZ ARG B 63 5.055 -3.603 2.608 1.00 0.00 C ATOM 1253 NH1 ARG B 63 5.559 -4.551 1.868 1.00 0.00 N ATOM 1254 NH2 ARG B 63 5.446 -3.542 3.847 1.00 0.00 N ATOM 0 H ARG B 63 2.218 -1.504 -2.322 1.00 0.00 H new ATOM 0 HA ARG B 63 3.528 -3.811 -1.802 1.00 0.00 H new ATOM 0 HB2 ARG B 63 1.365 -2.284 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.806 -3.944 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG B 63 1.805 -3.603 1.391 1.00 0.00 H new ATOM 0 HG3 ARG B 63 2.899 -4.628 0.483 1.00 0.00 H new ATOM 0 HD2 ARG B 63 4.414 -2.784 0.046 1.00 0.00 H new ATOM 0 HD3 ARG B 63 3.252 -1.603 0.619 1.00 0.00 H new ATOM 0 HE ARG B 63 3.844 -2.039 2.813 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.280 -4.638 0.891 1.00 0.00 H new ATOM 0 HH12 ARG B 63 6.232 -5.206 2.267 1.00 0.00 H new ATOM 0 HH21 ARG B 63 5.077 -2.817 4.463 1.00 0.00 H new ATOM 0 HH22 ARG B 63 6.121 -4.219 4.203 1.00 0.00 H new ATOM 1268 N TYR B 64 0.843 -4.523 -3.569 1.00 0.00 N ATOM 1269 CA TYR B 64 0.131 -5.551 -4.331 1.00 0.00 C ATOM 1270 C TYR B 64 0.914 -6.089 -5.531 1.00 0.00 C ATOM 1271 O TYR B 64 0.874 -7.277 -5.846 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.224 -5.009 -4.793 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.285 -6.071 -4.586 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.420 -7.130 -5.506 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -2.989 -6.106 -3.369 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.238 -8.233 -5.194 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -3.826 -7.197 -3.061 1.00 0.00 C ATOM 1278 CZ TYR B 64 -3.934 -8.273 -3.967 1.00 0.00 C ATOM 1279 OH TYR B 64 -4.654 -9.380 -3.638 1.00 0.00 O ATOM 0 H TYR B 64 0.425 -3.598 -3.666 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.004 -6.395 -3.654 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.479 -4.110 -4.233 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.176 -4.726 -5.845 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.896 -7.096 -6.450 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -2.888 -5.292 -2.666 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.333 -9.049 -5.895 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.382 -7.209 -2.135 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.072 -9.250 -2.761 1.00 0.00 H new ATOM 1289 N ILE B 65 1.682 -5.214 -6.170 1.00 0.00 N ATOM 1290 CA ILE B 65 2.679 -5.581 -7.177 1.00 0.00 C ATOM 1291 C ILE B 65 3.797 -6.409 -6.534 1.00 0.00 C ATOM 1292 O ILE B 65 4.192 -7.430 -7.093 1.00 0.00 O ATOM 1293 CB ILE B 65 3.200 -4.326 -7.909 1.00 0.00 C ATOM 1294 CG1 ILE B 65 2.126 -3.662 -8.797 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.464 -4.615 -8.721 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.706 -4.458 -10.041 1.00 0.00 C ATOM 0 H ILE B 65 1.630 -4.209 -6.002 1.00 0.00 H new ATOM 0 HA ILE B 65 2.216 -6.210 -7.937 1.00 0.00 H new ATOM 0 HB ILE B 65 3.457 -3.615 -7.124 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.240 -3.479 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.498 -2.689 -9.119 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.794 -3.703 -9.218 1.00 0.00 H new ATOM 0 HG22 ILE B 65 5.251 -4.970 -8.055 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.249 -5.379 -9.469 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.948 -3.900 -10.591 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.574 -4.619 -10.680 1.00 0.00 H new ATOM 0 HD13 ILE B 65 1.297 -5.421 -9.736 1.00 0.00 H new ATOM 1308 N LEU B 66 4.271 -6.042 -5.334 1.00 0.00 N ATOM 1309 CA LEU B 66 5.359 -6.772 -4.666 1.00 0.00 C ATOM 1310 C LEU B 66 4.871 -8.159 -4.203 1.00 0.00 C ATOM 1311 O LEU B 66 5.594 -9.152 -4.290 1.00 0.00 O ATOM 1312 CB LEU B 66 5.962 -5.964 -3.495 1.00 0.00 C ATOM 1313 CG LEU B 66 5.932 -4.431 -3.606 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.599 -3.748 -2.422 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.532 -3.833 -4.882 1.00 0.00 C ATOM 0 H LEU B 66 3.918 -5.244 -4.806 1.00 0.00 H new ATOM 0 HA LEU B 66 6.159 -6.916 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.435 -6.246 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU B 66 7.000 -6.273 -3.371 1.00 0.00 H new ATOM 0 HG LEU B 66 4.861 -4.232 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU B 66 6.550 -2.667 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.084 -4.028 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU B 66 7.642 -4.059 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU B 66 6.454 -2.746 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU B 66 7.581 -4.119 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU B 66 5.989 -4.207 -5.750 1.00 0.00 H new ATOM 1327 N LYS B 67 3.599 -8.230 -3.783 1.00 0.00 N ATOM 1328 CA LYS B 67 2.837 -9.439 -3.455 1.00 0.00 C ATOM 1329 C LYS B 67 2.725 -10.374 -4.661 1.00 0.00 C ATOM 1330 O LYS B 67 3.010 -11.565 -4.544 1.00 0.00 O ATOM 1331 CB LYS B 67 1.463 -8.999 -2.913 1.00 0.00 C ATOM 1332 CG LYS B 67 0.548 -10.146 -2.461 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.771 -9.573 -1.909 1.00 0.00 C ATOM 1334 CE LYS B 67 -1.767 -10.664 -1.490 1.00 0.00 C ATOM 1335 NZ LYS B 67 -2.455 -11.290 -2.653 1.00 0.00 N ATOM 0 H LYS B 67 3.040 -7.386 -3.656 1.00 0.00 H new ATOM 0 HA LYS B 67 3.353 -10.018 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.620 -8.326 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.950 -8.428 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.343 -10.812 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.046 -10.741 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.554 -8.937 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -1.231 -8.939 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -1.240 -11.434 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -2.512 -10.233 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -2.914 -12.173 -2.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -3.173 -10.636 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -1.759 -11.499 -3.397 1.00 0.00 H new ATOM 1349 N ALA B 68 2.365 -9.834 -5.828 1.00 0.00 N ATOM 1350 CA ALA B 68 2.294 -10.574 -7.088 1.00 0.00 C ATOM 1351 C ALA B 68 3.663 -11.093 -7.565 1.00 0.00 C ATOM 1352 O ALA B 68 3.750 -12.180 -8.134 1.00 0.00 O ATOM 1353 CB ALA B 68 1.663 -9.669 -8.149 1.00 0.00 C ATOM 0 H ALA B 68 2.110 -8.851 -5.924 1.00 0.00 H new ATOM 0 HA ALA B 68 1.681 -11.460 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.602 -10.206 -9.096 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.661 -9.380 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA B 68 2.275 -8.776 -8.277 1.00 0.00 H new ATOM 1359 N LEU B 69 4.743 -10.351 -7.300 1.00 0.00 N ATOM 1360 CA LEU B 69 6.109 -10.653 -7.740 1.00 0.00 C ATOM 1361 C LEU B 69 6.698 -11.917 -7.100 1.00 0.00 C ATOM 1362 O LEU B 69 7.635 -12.500 -7.649 1.00 0.00 O ATOM 1363 CB LEU B 69 6.995 -9.418 -7.474 1.00 0.00 C ATOM 1364 CG LEU B 69 7.553 -8.765 -8.748 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.456 -8.178 -9.634 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.491 -7.619 -8.374 1.00 0.00 C ATOM 0 H LEU B 69 4.688 -9.492 -6.753 1.00 0.00 H new ATOM 0 HA LEU B 69 6.077 -10.872 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.414 -8.678 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.827 -9.711 -6.834 1.00 0.00 H new ATOM 0 HG LEU B 69 8.071 -9.552 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.905 -7.729 -10.520 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.770 -8.969 -9.936 1.00 0.00 H new ATOM 0 HD13 LEU B 69 5.909 -7.416 -9.079 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.884 -7.160 -9.281 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.943 -6.874 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU B 69 9.317 -8.005 -7.776 1.00 0.00 H new ATOM 1378 N ARG B 70 6.113 -12.376 -5.986 1.00 0.00 N ATOM 1379 CA ARG B 70 6.407 -13.666 -5.351 1.00 0.00 C ATOM 1380 C ARG B 70 6.228 -14.842 -6.321 1.00 0.00 C ATOM 1381 O ARG B 70 7.121 -15.682 -6.436 1.00 0.00 O ATOM 1382 CB ARG B 70 5.562 -13.856 -4.078 1.00 0.00 C ATOM 1383 CG ARG B 70 5.949 -12.859 -2.974 1.00 0.00 C ATOM 1384 CD ARG B 70 5.124 -13.102 -1.704 1.00 0.00 C ATOM 1385 NE ARG B 70 5.602 -12.268 -0.580 1.00 0.00 N ATOM 1386 CZ ARG B 70 6.575 -12.541 0.272 1.00 0.00 C ATOM 1387 NH1 ARG B 70 7.272 -13.641 0.207 1.00 0.00 N ATOM 1388 NH2 ARG B 70 6.877 -11.701 1.220 1.00 0.00 N ATOM 0 H ARG B 70 5.401 -11.843 -5.487 1.00 0.00 H new ATOM 0 HA ARG B 70 7.458 -13.653 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG B 70 4.507 -13.734 -4.322 1.00 0.00 H new ATOM 0 HB3 ARG B 70 5.688 -14.873 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.011 -12.956 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG B 70 5.790 -11.840 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG B 70 4.075 -12.881 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG B 70 5.181 -14.155 -1.427 1.00 0.00 H new ATOM 0 HE ARG B 70 5.124 -11.377 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG B 70 7.074 -14.328 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG B 70 8.015 -13.815 0.884 1.00 0.00 H new ATOM 0 HH21 ARG B 70 6.361 -10.825 1.309 1.00 0.00 H new ATOM 0 HH22 ARG B 70 7.629 -11.919 1.874 1.00 0.00 H new ATOM 1402 N LYS B 71 5.088 -14.879 -7.025 1.00 0.00 N ATOM 1403 CA LYS B 71 4.746 -15.802 -8.125 1.00 0.00 C ATOM 1404 C LYS B 71 3.905 -15.095 -9.204 1.00 0.00 C ATOM 1405 O LYS B 71 2.678 -15.214 -9.223 1.00 0.00 O ATOM 1406 CB LYS B 71 4.040 -17.071 -7.618 1.00 0.00 C ATOM 1407 CG LYS B 71 4.938 -18.120 -6.936 1.00 0.00 C ATOM 1408 CD LYS B 71 4.881 -18.082 -5.402 1.00 0.00 C ATOM 1409 CE LYS B 71 5.793 -19.179 -4.837 1.00 0.00 C ATOM 1410 NZ LYS B 71 5.721 -19.248 -3.354 1.00 0.00 N ATOM 0 H LYS B 71 4.330 -14.225 -6.832 1.00 0.00 H new ATOM 0 HA LYS B 71 5.685 -16.117 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.264 -16.773 -6.913 1.00 0.00 H new ATOM 0 HB3 LYS B 71 3.539 -17.545 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS B 71 4.644 -19.113 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS B 71 5.968 -17.965 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS B 71 5.199 -17.105 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS B 71 3.857 -18.232 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS B 71 5.508 -20.142 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS B 71 6.822 -18.989 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 6.351 -20.001 -3.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 6.018 -18.337 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 4.744 -19.454 -3.063 1.00 0.00 H new ATOM 1424 N ILE B 72 4.571 -14.362 -10.106 1.00 0.00 N ATOM 1425 CA ILE B 72 3.946 -13.748 -11.296 1.00 0.00 C ATOM 1426 C ILE B 72 3.208 -14.803 -12.147 1.00 0.00 C ATOM 1427 O ILE B 72 2.023 -14.645 -12.452 1.00 0.00 O ATOM 1428 CB ILE B 72 4.996 -12.980 -12.137 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.677 -11.888 -11.281 1.00 0.00 C ATOM 1430 CG2 ILE B 72 4.354 -12.365 -13.394 1.00 0.00 C ATOM 1431 CD1 ILE B 72 6.636 -10.961 -12.039 1.00 0.00 C ATOM 0 H ILE B 72 5.571 -14.174 -10.033 1.00 0.00 H new ATOM 0 HA ILE B 72 3.203 -13.028 -10.951 1.00 0.00 H new ATOM 0 HB ILE B 72 5.757 -13.689 -12.463 1.00 0.00 H new ATOM 0 HG12 ILE B 72 4.902 -11.279 -10.816 1.00 0.00 H new ATOM 0 HG13 ILE B 72 6.228 -12.373 -10.475 1.00 0.00 H new ATOM 0 HG21 ILE B 72 5.113 -11.832 -13.966 1.00 0.00 H new ATOM 0 HG22 ILE B 72 3.926 -13.157 -14.009 1.00 0.00 H new ATOM 0 HG23 ILE B 72 3.568 -11.670 -13.098 1.00 0.00 H new ATOM 0 HD11 ILE B 72 7.060 -10.232 -11.348 1.00 0.00 H new ATOM 0 HD12 ILE B 72 7.439 -11.551 -12.481 1.00 0.00 H new ATOM 0 HD13 ILE B 72 6.092 -10.440 -12.827 1.00 0.00 H new ATOM 1443 N GLU B 73 3.909 -15.873 -12.543 1.00 0.00 N ATOM 1444 CA GLU B 73 3.382 -17.021 -13.304 1.00 0.00 C ATOM 1445 C GLU B 73 2.600 -18.021 -12.427 1.00 0.00 C ATOM 1446 O GLU B 73 1.452 -18.360 -12.795 1.00 0.00 O ATOM 1447 CB GLU B 73 4.537 -17.729 -14.030 1.00 0.00 C ATOM 1448 CG GLU B 73 5.144 -16.880 -15.160 1.00 0.00 C ATOM 1449 CD GLU B 73 6.221 -17.670 -15.937 1.00 0.00 C ATOM 1450 OE1 GLU B 73 7.416 -17.631 -15.549 1.00 0.00 O ATOM 1451 OE2 GLU B 73 5.887 -18.335 -16.950 1.00 0.00 O ATOM 0 H GLU B 73 4.903 -15.970 -12.334 1.00 0.00 H new ATOM 0 HA GLU B 73 2.669 -16.630 -14.029 1.00 0.00 H new ATOM 0 HB2 GLU B 73 5.316 -17.975 -13.309 1.00 0.00 H new ATOM 0 HB3 GLU B 73 4.176 -18.671 -14.444 1.00 0.00 H new ATOM 0 HG2 GLU B 73 4.356 -16.564 -15.844 1.00 0.00 H new ATOM 0 HG3 GLU B 73 5.584 -15.975 -14.742 1.00 0.00 H new TER 1458 GLU B 73