USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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 54 GLN : amide:sc= -0.246 K(o=0.57,f=-1.5!) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0.821 USER MOD Set 2.1: A 8 ASN : amide:sc= -2.53! C(o=-7.7!,f=-9.6!) USER MOD Set 2.2: A 9 GLN : amide:sc= -5.17! C(o=-7.7!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0132 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 33:sc= 0.947 USER MOD Single : A 6 SER OG : rot 180:sc=-0.000874 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.597 F(o=-2.6!,f=-0.6) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.8) USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= 1.24 (180deg=-0.103) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.54 K(o=0.54,f=-0.55) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.778 K(o=-0.78,f=-9.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -3.37! C(o=-3.4!,f=-5.3!) USER MOD Single : A 53 SER OG : rot -1:sc= 0.942 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= -0.203 (180deg=-1.73!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00339 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.382 -5.278 5.839 1.00 0.00 N ATOM 2 CA GLY A 1 13.790 -6.316 6.767 1.00 0.00 C ATOM 3 C GLY A 1 13.465 -5.968 8.206 1.00 0.00 C ATOM 4 O GLY A 1 13.569 -4.809 8.610 1.00 0.00 O ATOM 0 H1 GLY A 1 14.146 -5.104 5.155 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.526 -5.582 5.332 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.181 -4.403 6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.296 -7.251 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.863 -6.484 6.671 1.00 0.00 H new ATOM 8 N SER A 2 13.070 -6.972 8.982 1.00 0.00 N ATOM 9 CA SER A 2 12.724 -6.765 10.383 1.00 0.00 C ATOM 10 C SER A 2 13.729 -7.457 11.299 1.00 0.00 C ATOM 11 O SER A 2 13.869 -8.679 11.274 1.00 0.00 O ATOM 12 CB SER A 2 11.315 -7.290 10.664 1.00 0.00 C ATOM 13 OG SER A 2 10.341 -6.286 10.437 1.00 0.00 O ATOM 0 H SER A 2 12.982 -7.937 8.664 1.00 0.00 H new ATOM 0 HA SER A 2 12.753 -5.694 10.585 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.110 -8.150 10.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.252 -7.636 11.696 1.00 0.00 H new ATOM 0 HG SER A 2 9.449 -6.648 10.622 1.00 0.00 H new ATOM 19 N SER A 3 14.426 -6.664 12.107 1.00 0.00 N ATOM 20 CA SER A 3 15.422 -7.198 13.029 1.00 0.00 C ATOM 21 C SER A 3 15.092 -6.812 14.468 1.00 0.00 C ATOM 22 O SER A 3 15.975 -6.444 15.241 1.00 0.00 O ATOM 23 CB SER A 3 16.816 -6.689 12.658 1.00 0.00 C ATOM 24 OG SER A 3 16.894 -5.280 12.783 1.00 0.00 O ATOM 0 H SER A 3 14.319 -5.650 12.142 1.00 0.00 H new ATOM 0 HA SER A 3 15.408 -8.285 12.951 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.561 -7.156 13.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.052 -6.980 11.635 1.00 0.00 H new ATOM 0 HG SER A 3 17.795 -4.980 12.542 1.00 0.00 H new ATOM 30 N GLY A 4 13.813 -6.898 14.819 1.00 0.00 N ATOM 31 CA GLY A 4 13.388 -6.554 16.163 1.00 0.00 C ATOM 32 C GLY A 4 12.459 -5.356 16.189 1.00 0.00 C ATOM 33 O GLY A 4 11.614 -5.198 15.308 1.00 0.00 O ATOM 0 H GLY A 4 13.063 -7.200 14.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.884 -7.410 16.612 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.265 -6.343 16.775 1.00 0.00 H new ATOM 37 N SER A 5 12.613 -4.511 17.203 1.00 0.00 N ATOM 38 CA SER A 5 11.778 -3.325 17.344 1.00 0.00 C ATOM 39 C SER A 5 12.503 -2.085 16.830 1.00 0.00 C ATOM 40 O SER A 5 13.379 -1.541 17.502 1.00 0.00 O ATOM 41 CB SER A 5 11.379 -3.126 18.807 1.00 0.00 C ATOM 42 OG SER A 5 12.519 -2.905 19.621 1.00 0.00 O ATOM 0 H SER A 5 13.309 -4.626 17.940 1.00 0.00 H new ATOM 0 HA SER A 5 10.878 -3.472 16.747 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.699 -2.278 18.890 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.839 -4.003 19.163 1.00 0.00 H new ATOM 0 HG SER A 5 13.197 -2.417 19.109 1.00 0.00 H new ATOM 48 N SER A 6 12.133 -1.644 15.632 1.00 0.00 N ATOM 49 CA SER A 6 12.750 -0.471 15.024 1.00 0.00 C ATOM 50 C SER A 6 11.850 0.117 13.942 1.00 0.00 C ATOM 51 O SER A 6 10.924 -0.538 13.465 1.00 0.00 O ATOM 52 CB SER A 6 14.111 -0.836 14.428 1.00 0.00 C ATOM 53 OG SER A 6 14.832 0.325 14.055 1.00 0.00 O ATOM 0 H SER A 6 11.408 -2.082 15.063 1.00 0.00 H new ATOM 0 HA SER A 6 12.891 0.279 15.802 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.688 -1.408 15.154 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.970 -1.476 13.557 1.00 0.00 H new ATOM 0 HG SER A 6 15.699 0.065 13.679 1.00 0.00 H new ATOM 59 N GLY A 7 12.130 1.359 13.558 1.00 0.00 N ATOM 60 CA GLY A 7 11.338 2.016 12.535 1.00 0.00 C ATOM 61 C GLY A 7 10.735 3.320 13.017 1.00 0.00 C ATOM 62 O GLY A 7 10.050 3.355 14.038 1.00 0.00 O ATOM 0 H GLY A 7 12.891 1.922 13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.964 2.209 11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.540 1.347 12.213 1.00 0.00 H new ATOM 66 N ASN A 8 10.993 4.397 12.282 1.00 0.00 N ATOM 67 CA ASN A 8 10.472 5.711 12.642 1.00 0.00 C ATOM 68 C ASN A 8 9.091 5.934 12.034 1.00 0.00 C ATOM 69 O ASN A 8 8.104 6.087 12.752 1.00 0.00 O ATOM 70 CB ASN A 8 11.431 6.808 12.175 1.00 0.00 C ATOM 71 CG ASN A 8 11.350 8.053 13.038 1.00 0.00 C ATOM 72 OD1 ASN A 8 10.276 8.424 13.512 1.00 0.00 O ATOM 73 ND2 ASN A 8 12.488 8.705 13.244 1.00 0.00 N ATOM 0 H ASN A 8 11.559 4.386 11.434 1.00 0.00 H new ATOM 0 HA ASN A 8 10.382 5.754 13.727 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.451 6.425 12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.203 7.070 11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.495 9.550 13.815 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.355 8.361 12.831 1.00 0.00 H new ATOM 80 N GLN A 9 9.031 5.951 10.706 1.00 0.00 N ATOM 81 CA GLN A 9 7.771 6.156 10.002 1.00 0.00 C ATOM 82 C GLN A 9 7.306 4.867 9.332 1.00 0.00 C ATOM 83 O GLN A 9 7.268 4.771 8.104 1.00 0.00 O ATOM 84 CB GLN A 9 7.920 7.262 8.957 1.00 0.00 C ATOM 85 CG GLN A 9 8.280 8.615 9.550 1.00 0.00 C ATOM 86 CD GLN A 9 9.761 8.745 9.850 1.00 0.00 C ATOM 87 OE1 GLN A 9 10.153 9.064 10.973 1.00 0.00 O ATOM 88 NE2 GLN A 9 10.592 8.500 8.844 1.00 0.00 N ATOM 0 H GLN A 9 9.839 5.825 10.097 1.00 0.00 H new ATOM 0 HA GLN A 9 7.020 6.456 10.733 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.689 6.972 8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.986 7.355 8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.983 9.402 8.857 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.712 8.768 10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.223 8.239 7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.600 8.573 8.985 1.00 0.00 H new ATOM 97 N LEU A 10 6.954 3.877 10.145 1.00 0.00 N ATOM 98 CA LEU A 10 6.492 2.592 9.631 1.00 0.00 C ATOM 99 C LEU A 10 4.987 2.437 9.827 1.00 0.00 C ATOM 100 O LEU A 10 4.381 3.138 10.637 1.00 0.00 O ATOM 101 CB LEU A 10 7.229 1.447 10.327 1.00 0.00 C ATOM 102 CG LEU A 10 8.525 0.981 9.662 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.302 0.062 10.592 1.00 0.00 C ATOM 104 CD2 LEU A 10 8.226 0.281 8.344 1.00 0.00 C ATOM 0 H LEU A 10 6.980 3.939 11.163 1.00 0.00 H new ATOM 0 HA LEU A 10 6.706 2.557 8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.458 1.756 11.347 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.553 0.595 10.396 1.00 0.00 H new ATOM 0 HG LEU A 10 9.140 1.857 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.221 -0.259 10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.548 0.596 11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.695 -0.811 10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.160 -0.044 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.591 -0.586 8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.713 0.971 7.674 1.00 0.00 H new ATOM 116 N TRP A 11 4.391 1.513 9.082 1.00 0.00 N ATOM 117 CA TRP A 11 2.957 1.264 9.176 1.00 0.00 C ATOM 118 C TRP A 11 2.635 0.387 10.381 1.00 0.00 C ATOM 119 O TRP A 11 3.398 -0.516 10.727 1.00 0.00 O ATOM 120 CB TRP A 11 2.449 0.599 7.895 1.00 0.00 C ATOM 121 CG TRP A 11 2.243 1.564 6.767 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.154 2.451 6.270 1.00 0.00 C ATOM 123 CD2 TRP A 11 1.048 1.739 5.997 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.598 3.168 5.238 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.308 2.749 5.050 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.214 1.140 6.014 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.350 3.172 4.132 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.163 1.561 5.103 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.877 2.568 4.171 1.00 0.00 C ATOM 0 H TRP A 11 4.878 0.924 8.406 1.00 0.00 H new ATOM 0 HA TRP A 11 2.454 2.223 9.303 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.161 -0.166 7.584 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.508 0.091 8.106 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.163 2.571 6.634 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.070 3.894 4.699 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.443 0.362 6.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.568 3.949 3.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.143 1.106 5.109 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.640 2.873 3.470 1.00 0.00 H new ATOM 140 N THR A 12 1.499 0.657 11.017 1.00 0.00 N ATOM 141 CA THR A 12 1.077 -0.107 12.184 1.00 0.00 C ATOM 142 C THR A 12 0.111 -1.219 11.793 1.00 0.00 C ATOM 143 O THR A 12 -0.667 -1.076 10.849 1.00 0.00 O ATOM 144 CB THR A 12 0.403 0.797 13.234 1.00 0.00 C ATOM 145 OG1 THR A 12 0.084 0.036 14.404 1.00 0.00 O ATOM 146 CG2 THR A 12 -0.862 1.428 12.672 1.00 0.00 C ATOM 0 H THR A 12 0.855 1.399 10.743 1.00 0.00 H new ATOM 0 HA THR A 12 1.976 -0.546 12.616 1.00 0.00 H new ATOM 0 HB THR A 12 1.100 1.592 13.498 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.342 0.618 15.067 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.321 2.062 13.431 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.611 2.031 11.799 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.562 0.644 12.383 1.00 0.00 H new ATOM 154 N VAL A 13 0.164 -2.328 12.524 1.00 0.00 N ATOM 155 CA VAL A 13 -0.708 -3.465 12.254 1.00 0.00 C ATOM 156 C VAL A 13 -2.105 -3.003 11.856 1.00 0.00 C ATOM 157 O VAL A 13 -2.659 -3.461 10.857 1.00 0.00 O ATOM 158 CB VAL A 13 -0.816 -4.392 13.479 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.288 -3.615 14.698 1.00 0.00 C ATOM 160 CG2 VAL A 13 -1.750 -5.556 13.185 1.00 0.00 C ATOM 0 H VAL A 13 0.802 -2.463 13.308 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.262 -4.018 11.427 1.00 0.00 H new ATOM 0 HB VAL A 13 0.173 -4.795 13.696 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.358 -4.287 15.553 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.577 -2.819 14.920 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.267 -3.181 14.496 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.815 -6.201 14.061 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.742 -5.174 12.941 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.364 -6.128 12.341 1.00 0.00 H new ATOM 170 N GLU A 14 -2.669 -2.092 12.643 1.00 0.00 N ATOM 171 CA GLU A 14 -4.002 -1.569 12.372 1.00 0.00 C ATOM 172 C GLU A 14 -4.154 -1.204 10.898 1.00 0.00 C ATOM 173 O GLU A 14 -4.900 -1.851 10.162 1.00 0.00 O ATOM 174 CB GLU A 14 -4.280 -0.341 13.243 1.00 0.00 C ATOM 175 CG GLU A 14 -4.623 -0.682 14.683 1.00 0.00 C ATOM 176 CD GLU A 14 -6.109 -0.904 14.892 1.00 0.00 C ATOM 177 OE1 GLU A 14 -6.910 -0.216 14.225 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.470 -1.765 15.720 1.00 0.00 O ATOM 0 H GLU A 14 -2.223 -1.701 13.473 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.725 -2.348 12.613 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.405 0.308 13.231 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.103 0.225 12.806 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.080 -1.580 14.979 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.285 0.124 15.334 1.00 0.00 H new ATOM 185 N GLU A 15 -3.442 -0.165 10.475 1.00 0.00 N ATOM 186 CA GLU A 15 -3.499 0.286 9.089 1.00 0.00 C ATOM 187 C GLU A 15 -3.321 -0.885 8.128 1.00 0.00 C ATOM 188 O GLU A 15 -4.153 -1.112 7.250 1.00 0.00 O ATOM 189 CB GLU A 15 -2.422 1.342 8.829 1.00 0.00 C ATOM 190 CG GLU A 15 -2.866 2.758 9.157 1.00 0.00 C ATOM 191 CD GLU A 15 -4.001 3.234 8.272 1.00 0.00 C ATOM 192 OE1 GLU A 15 -5.174 3.016 8.642 1.00 0.00 O ATOM 193 OE2 GLU A 15 -3.717 3.824 7.209 1.00 0.00 O ATOM 0 H GLU A 15 -2.819 0.380 11.071 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.480 0.728 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.539 1.101 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.126 1.297 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.180 2.804 10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.018 3.435 9.049 1.00 0.00 H new ATOM 200 N GLN A 16 -2.230 -1.625 8.301 1.00 0.00 N ATOM 201 CA GLN A 16 -1.942 -2.772 7.448 1.00 0.00 C ATOM 202 C GLN A 16 -3.224 -3.508 7.074 1.00 0.00 C ATOM 203 O GLN A 16 -3.393 -3.944 5.935 1.00 0.00 O ATOM 204 CB GLN A 16 -0.978 -3.728 8.153 1.00 0.00 C ATOM 205 CG GLN A 16 0.477 -3.296 8.070 1.00 0.00 C ATOM 206 CD GLN A 16 1.390 -4.155 8.921 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.642 -3.717 10.149 1.00 0.00 O flip ATOM 208 NE2 GLN A 16 1.865 -5.203 8.480 1.00 0.00 N flip ATOM 0 H GLN A 16 -1.532 -1.451 9.024 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.476 -2.405 6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.264 -3.811 9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.079 -4.721 7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.806 -3.340 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.562 -2.257 8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.645 -5.503 7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.478 -5.771 9.065 1.00 0.00 H new ATOM 217 N LYS A 17 -4.127 -3.642 8.040 1.00 0.00 N ATOM 218 CA LYS A 17 -5.395 -4.325 7.813 1.00 0.00 C ATOM 219 C LYS A 17 -6.316 -3.483 6.935 1.00 0.00 C ATOM 220 O LYS A 17 -6.640 -3.867 5.811 1.00 0.00 O ATOM 221 CB LYS A 17 -6.081 -4.626 9.148 1.00 0.00 C ATOM 222 CG LYS A 17 -5.121 -5.060 10.241 1.00 0.00 C ATOM 223 CD LYS A 17 -5.806 -5.949 11.265 1.00 0.00 C ATOM 224 CE LYS A 17 -6.567 -5.129 12.296 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.060 -5.972 13.420 1.00 0.00 N ATOM 0 H LYS A 17 -4.004 -3.286 8.988 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.188 -5.263 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.618 -3.737 9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.824 -5.409 8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.281 -5.595 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.712 -4.180 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.493 -6.626 10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.062 -6.567 11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.919 -4.345 12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.411 -4.634 11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.573 -5.377 14.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.699 -6.705 13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.253 -6.424 13.895 1.00 0.00 H new ATOM 239 N LYS A 18 -6.733 -2.333 7.454 1.00 0.00 N ATOM 240 CA LYS A 18 -7.614 -1.436 6.716 1.00 0.00 C ATOM 241 C LYS A 18 -7.182 -1.326 5.257 1.00 0.00 C ATOM 242 O LYS A 18 -8.012 -1.362 4.349 1.00 0.00 O ATOM 243 CB LYS A 18 -7.620 -0.048 7.363 1.00 0.00 C ATOM 244 CG LYS A 18 -8.835 0.787 7.000 1.00 0.00 C ATOM 245 CD LYS A 18 -9.043 1.926 7.983 1.00 0.00 C ATOM 246 CE LYS A 18 -9.934 3.012 7.399 1.00 0.00 C ATOM 247 NZ LYS A 18 -11.356 2.578 7.319 1.00 0.00 N ATOM 0 H LYS A 18 -6.475 -2.000 8.383 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.622 -1.850 6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.578 -0.161 8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.719 0.487 7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.713 1.191 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.722 0.153 6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.491 1.540 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.078 2.353 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.862 3.910 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.578 3.277 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.931 3.345 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.428 1.736 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.703 2.349 8.272 1.00 0.00 H new ATOM 261 N LEU A 19 -5.878 -1.194 5.040 1.00 0.00 N ATOM 262 CA LEU A 19 -5.335 -1.081 3.690 1.00 0.00 C ATOM 263 C LEU A 19 -5.627 -2.339 2.879 1.00 0.00 C ATOM 264 O LEU A 19 -6.074 -2.260 1.735 1.00 0.00 O ATOM 265 CB LEU A 19 -3.826 -0.835 3.746 1.00 0.00 C ATOM 266 CG LEU A 19 -3.080 -0.942 2.415 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.546 0.140 1.453 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.577 -0.848 2.638 1.00 0.00 C ATOM 0 H LEU A 19 -5.177 -1.163 5.781 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.817 -0.235 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.655 0.160 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.387 -1.548 4.444 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.302 -1.913 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.004 0.048 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.615 0.028 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.354 1.121 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.062 -0.926 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.337 0.109 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.255 -1.659 3.291 1.00 0.00 H new ATOM 280 N GLU A 20 -5.374 -3.497 3.480 1.00 0.00 N ATOM 281 CA GLU A 20 -5.611 -4.771 2.813 1.00 0.00 C ATOM 282 C GLU A 20 -7.039 -4.849 2.280 1.00 0.00 C ATOM 283 O GLU A 20 -7.265 -5.247 1.138 1.00 0.00 O ATOM 284 CB GLU A 20 -5.350 -5.933 3.774 1.00 0.00 C ATOM 285 CG GLU A 20 -3.879 -6.281 3.923 1.00 0.00 C ATOM 286 CD GLU A 20 -3.645 -7.423 4.892 1.00 0.00 C ATOM 287 OE1 GLU A 20 -4.383 -8.427 4.814 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.724 -7.314 5.728 1.00 0.00 O ATOM 0 H GLU A 20 -5.005 -3.579 4.427 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.922 -4.844 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.756 -5.681 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.889 -6.813 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.472 -6.548 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.334 -5.401 4.266 1.00 0.00 H new ATOM 295 N GLN A 21 -7.998 -4.465 3.117 1.00 0.00 N ATOM 296 CA GLN A 21 -9.404 -4.492 2.731 1.00 0.00 C ATOM 297 C GLN A 21 -9.699 -3.432 1.675 1.00 0.00 C ATOM 298 O GLN A 21 -10.275 -3.728 0.627 1.00 0.00 O ATOM 299 CB GLN A 21 -10.295 -4.272 3.955 1.00 0.00 C ATOM 300 CG GLN A 21 -10.622 -5.551 4.708 1.00 0.00 C ATOM 301 CD GLN A 21 -11.475 -6.505 3.895 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.937 -6.168 2.804 1.00 0.00 O ATOM 303 NE2 GLN A 21 -11.689 -7.705 4.422 1.00 0.00 N ATOM 0 H GLN A 21 -7.827 -4.132 4.066 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.619 -5.472 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.800 -3.577 4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.225 -3.800 3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.695 -6.049 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.143 -5.301 5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.287 -7.943 5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.255 -8.389 3.920 1.00 0.00 H new ATOM 312 N LEU A 22 -9.302 -2.196 1.957 1.00 0.00 N ATOM 313 CA LEU A 22 -9.524 -1.091 1.031 1.00 0.00 C ATOM 314 C LEU A 22 -9.005 -1.435 -0.362 1.00 0.00 C ATOM 315 O LEU A 22 -9.704 -1.250 -1.359 1.00 0.00 O ATOM 316 CB LEU A 22 -8.838 0.176 1.545 1.00 0.00 C ATOM 317 CG LEU A 22 -9.501 0.861 2.740 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.463 1.579 3.588 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.574 1.833 2.271 1.00 0.00 C ATOM 0 H LEU A 22 -8.825 -1.934 2.819 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.598 -0.914 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.813 -0.075 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.783 0.893 0.726 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.976 0.096 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.954 2.060 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.732 0.859 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.958 2.333 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.035 2.311 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.123 2.593 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.334 1.292 1.708 1.00 0.00 H new ATOM 331 N LEU A 23 -7.777 -1.937 -0.423 1.00 0.00 N ATOM 332 CA LEU A 23 -7.165 -2.310 -1.693 1.00 0.00 C ATOM 333 C LEU A 23 -8.177 -2.998 -2.604 1.00 0.00 C ATOM 334 O LEU A 23 -8.245 -2.711 -3.800 1.00 0.00 O ATOM 335 CB LEU A 23 -5.968 -3.231 -1.454 1.00 0.00 C ATOM 336 CG LEU A 23 -4.654 -2.543 -1.082 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.686 -3.539 -0.463 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.033 -1.882 -2.304 1.00 0.00 C ATOM 0 H LEU A 23 -7.185 -2.095 0.393 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.822 -1.399 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.226 -3.930 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.803 -3.821 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.868 -1.769 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.757 -3.031 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.129 -3.965 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.478 -4.336 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.099 -1.397 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.834 -2.637 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.721 -1.137 -2.704 1.00 0.00 H new ATOM 350 N ILE A 24 -8.961 -3.903 -2.031 1.00 0.00 N ATOM 351 CA ILE A 24 -9.972 -4.629 -2.791 1.00 0.00 C ATOM 352 C ILE A 24 -11.189 -3.752 -3.065 1.00 0.00 C ATOM 353 O ILE A 24 -11.707 -3.722 -4.181 1.00 0.00 O ATOM 354 CB ILE A 24 -10.427 -5.901 -2.051 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.234 -6.826 -1.801 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.504 -6.621 -2.849 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.376 -7.673 -0.556 1.00 0.00 C ATOM 0 H ILE A 24 -8.916 -4.152 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.511 -4.913 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.847 -5.613 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.105 -7.481 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.329 -6.224 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.815 -7.518 -2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.361 -5.961 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.108 -6.901 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.494 -8.303 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.474 -7.026 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.262 -8.301 -0.643 1.00 0.00 H new ATOM 369 N LYS A 25 -11.639 -3.036 -2.040 1.00 0.00 N ATOM 370 CA LYS A 25 -12.793 -2.155 -2.169 1.00 0.00 C ATOM 371 C LYS A 25 -12.600 -1.172 -3.320 1.00 0.00 C ATOM 372 O LYS A 25 -13.539 -0.876 -4.060 1.00 0.00 O ATOM 373 CB LYS A 25 -13.025 -1.390 -0.864 1.00 0.00 C ATOM 374 CG LYS A 25 -14.173 -0.397 -0.937 1.00 0.00 C ATOM 375 CD LYS A 25 -13.699 0.971 -1.399 1.00 0.00 C ATOM 376 CE LYS A 25 -14.828 1.766 -2.036 1.00 0.00 C ATOM 377 NZ LYS A 25 -15.018 1.407 -3.469 1.00 0.00 N ATOM 0 H LYS A 25 -11.221 -3.049 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.667 -2.770 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.223 -2.104 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.112 -0.858 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.934 -0.770 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.642 -0.309 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.297 1.524 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.886 0.853 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.754 1.584 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.614 2.832 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.910 2.258 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.307 0.701 -3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.970 1.011 -3.604 1.00 0.00 H new ATOM 391 N TYR A 26 -11.378 -0.671 -3.465 1.00 0.00 N ATOM 392 CA TYR A 26 -11.063 0.280 -4.525 1.00 0.00 C ATOM 393 C TYR A 26 -10.288 -0.398 -5.651 1.00 0.00 C ATOM 394 O TYR A 26 -9.064 -0.525 -5.607 1.00 0.00 O ATOM 395 CB TYR A 26 -10.254 1.450 -3.965 1.00 0.00 C ATOM 396 CG TYR A 26 -11.084 2.440 -3.179 1.00 0.00 C ATOM 397 CD1 TYR A 26 -11.869 3.386 -3.826 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.083 2.428 -1.790 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.629 4.292 -3.112 1.00 0.00 C ATOM 400 CE2 TYR A 26 -11.841 3.330 -1.068 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.612 4.260 -1.733 1.00 0.00 C ATOM 402 OH TYR A 26 -13.367 5.160 -1.017 1.00 0.00 O ATOM 0 H TYR A 26 -10.590 -0.907 -2.862 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.001 0.658 -4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.464 1.060 -3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.767 1.971 -4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.885 3.414 -4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.480 1.702 -1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.233 5.022 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.830 3.307 0.012 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.243 5.001 -0.058 1.00 0.00 H new ATOM 412 N PRO A 27 -11.016 -0.842 -6.686 1.00 0.00 N ATOM 413 CA PRO A 27 -10.418 -1.512 -7.845 1.00 0.00 C ATOM 414 C PRO A 27 -9.596 -0.559 -8.706 1.00 0.00 C ATOM 415 O PRO A 27 -9.699 0.662 -8.593 1.00 0.00 O ATOM 416 CB PRO A 27 -11.632 -2.024 -8.624 1.00 0.00 C ATOM 417 CG PRO A 27 -12.744 -1.113 -8.233 1.00 0.00 C ATOM 418 CD PRO A 27 -12.479 -0.723 -6.805 1.00 0.00 C ATOM 0 HA PRO A 27 -9.723 -2.297 -7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.454 -1.993 -9.699 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.859 -3.059 -8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.774 -0.235 -8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.709 -1.612 -8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.818 0.292 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.994 -1.382 -6.106 1.00 0.00 H new ATOM 426 N PRO A 28 -8.760 -1.129 -9.587 1.00 0.00 N ATOM 427 CA PRO A 28 -7.905 -0.347 -10.485 1.00 0.00 C ATOM 428 C PRO A 28 -8.705 0.377 -11.563 1.00 0.00 C ATOM 429 O PRO A 28 -9.658 -0.171 -12.115 1.00 0.00 O ATOM 430 CB PRO A 28 -6.994 -1.404 -11.115 1.00 0.00 C ATOM 431 CG PRO A 28 -7.772 -2.671 -11.036 1.00 0.00 C ATOM 432 CD PRO A 28 -8.587 -2.579 -9.775 1.00 0.00 C ATOM 0 HA PRO A 28 -7.367 0.439 -9.955 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.751 -1.153 -12.147 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.050 -1.485 -10.576 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.415 -2.789 -11.908 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.108 -3.535 -11.010 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.545 -3.088 -9.878 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.072 -3.035 -8.929 1.00 0.00 H new ATOM 440 N GLU A 29 -8.309 1.612 -11.857 1.00 0.00 N ATOM 441 CA GLU A 29 -8.991 2.411 -12.868 1.00 0.00 C ATOM 442 C GLU A 29 -7.986 3.075 -13.805 1.00 0.00 C ATOM 443 O GLU A 29 -6.778 3.005 -13.585 1.00 0.00 O ATOM 444 CB GLU A 29 -9.867 3.476 -12.205 1.00 0.00 C ATOM 445 CG GLU A 29 -9.109 4.372 -11.239 1.00 0.00 C ATOM 446 CD GLU A 29 -9.976 5.476 -10.666 1.00 0.00 C ATOM 447 OE1 GLU A 29 -10.905 5.926 -11.369 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.726 5.890 -9.515 1.00 0.00 O ATOM 0 H GLU A 29 -7.521 2.080 -11.410 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.624 1.745 -13.454 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.322 4.094 -12.979 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.680 2.985 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.711 3.767 -10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.256 4.815 -11.753 1.00 0.00 H new ATOM 455 N GLU A 30 -8.496 3.718 -14.851 1.00 0.00 N ATOM 456 CA GLU A 30 -7.643 4.394 -15.822 1.00 0.00 C ATOM 457 C GLU A 30 -6.526 5.163 -15.123 1.00 0.00 C ATOM 458 O GLU A 30 -5.355 5.042 -15.482 1.00 0.00 O ATOM 459 CB GLU A 30 -8.471 5.348 -16.685 1.00 0.00 C ATOM 460 CG GLU A 30 -9.226 6.395 -15.883 1.00 0.00 C ATOM 461 CD GLU A 30 -10.442 6.927 -16.615 1.00 0.00 C ATOM 462 OE1 GLU A 30 -11.394 6.147 -16.829 1.00 0.00 O ATOM 463 OE2 GLU A 30 -10.441 8.123 -16.975 1.00 0.00 O ATOM 0 H GLU A 30 -9.495 3.785 -15.048 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.193 3.635 -16.462 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.811 5.851 -17.392 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.184 4.768 -17.271 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.539 5.963 -14.933 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.556 7.223 -15.651 1.00 0.00 H new ATOM 470 N VAL A 31 -6.897 5.955 -14.121 1.00 0.00 N ATOM 471 CA VAL A 31 -5.928 6.743 -13.371 1.00 0.00 C ATOM 472 C VAL A 31 -5.605 6.089 -12.032 1.00 0.00 C ATOM 473 O VAL A 31 -6.426 6.090 -11.116 1.00 0.00 O ATOM 474 CB VAL A 31 -6.442 8.173 -13.119 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.434 8.968 -12.302 1.00 0.00 C ATOM 476 CG2 VAL A 31 -6.740 8.871 -14.438 1.00 0.00 C ATOM 0 H VAL A 31 -7.862 6.067 -13.811 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.023 6.791 -13.977 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.368 8.112 -12.548 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.815 9.975 -12.134 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.274 8.476 -11.342 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.489 9.023 -12.843 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.102 9.880 -14.242 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.830 8.922 -15.036 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.501 8.312 -14.982 1.00 0.00 H new ATOM 486 N GLU A 32 -4.403 5.531 -11.927 1.00 0.00 N ATOM 487 CA GLU A 32 -3.972 4.872 -10.700 1.00 0.00 C ATOM 488 C GLU A 32 -3.895 5.868 -9.546 1.00 0.00 C ATOM 489 O GLU A 32 -4.175 5.526 -8.397 1.00 0.00 O ATOM 490 CB GLU A 32 -2.610 4.205 -10.904 1.00 0.00 C ATOM 491 CG GLU A 32 -2.373 3.013 -9.991 1.00 0.00 C ATOM 492 CD GLU A 32 -1.094 2.269 -10.323 1.00 0.00 C ATOM 493 OE1 GLU A 32 -0.086 2.936 -10.640 1.00 0.00 O ATOM 494 OE2 GLU A 32 -1.101 1.022 -10.268 1.00 0.00 O ATOM 0 H GLU A 32 -3.711 5.522 -12.676 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.709 4.108 -10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.526 3.880 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.825 4.942 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.332 3.355 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.218 2.328 -10.067 1.00 0.00 H new ATOM 501 N SER A 33 -3.513 7.101 -9.861 1.00 0.00 N ATOM 502 CA SER A 33 -3.395 8.146 -8.851 1.00 0.00 C ATOM 503 C SER A 33 -4.668 8.242 -8.016 1.00 0.00 C ATOM 504 O SER A 33 -4.641 8.062 -6.799 1.00 0.00 O ATOM 505 CB SER A 33 -3.103 9.494 -9.513 1.00 0.00 C ATOM 506 OG SER A 33 -2.936 10.514 -8.543 1.00 0.00 O ATOM 0 H SER A 33 -3.280 7.401 -10.808 1.00 0.00 H new ATOM 0 HA SER A 33 -2.567 7.886 -8.191 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.202 9.416 -10.122 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.920 9.757 -10.185 1.00 0.00 H new ATOM 0 HG SER A 33 -2.749 11.365 -8.992 1.00 0.00 H new ATOM 512 N ARG A 34 -5.784 8.526 -8.680 1.00 0.00 N ATOM 513 CA ARG A 34 -7.068 8.647 -8.001 1.00 0.00 C ATOM 514 C ARG A 34 -7.314 7.451 -7.087 1.00 0.00 C ATOM 515 O ARG A 34 -7.613 7.612 -5.903 1.00 0.00 O ATOM 516 CB ARG A 34 -8.201 8.764 -9.023 1.00 0.00 C ATOM 517 CG ARG A 34 -8.033 9.926 -9.988 1.00 0.00 C ATOM 518 CD ARG A 34 -8.854 9.723 -11.252 1.00 0.00 C ATOM 519 NE ARG A 34 -10.197 10.284 -11.128 1.00 0.00 N ATOM 520 CZ ARG A 34 -11.214 9.935 -11.908 1.00 0.00 C ATOM 521 NH1 ARG A 34 -11.041 9.032 -12.863 1.00 0.00 N ATOM 522 NH2 ARG A 34 -12.406 10.490 -11.734 1.00 0.00 N ATOM 0 H ARG A 34 -5.824 8.677 -9.688 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.044 9.550 -7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.263 7.836 -9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.147 8.877 -8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.337 10.852 -9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.980 10.034 -10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.343 10.188 -12.095 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.925 8.658 -11.471 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.363 10.982 -10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.126 8.604 -13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.823 8.766 -13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.543 11.186 -11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.186 10.221 -12.334 1.00 0.00 H new ATOM 536 N ARG A 35 -7.187 6.251 -7.644 1.00 0.00 N ATOM 537 CA ARG A 35 -7.397 5.027 -6.880 1.00 0.00 C ATOM 538 C ARG A 35 -6.779 5.142 -5.489 1.00 0.00 C ATOM 539 O ARG A 35 -7.400 4.776 -4.491 1.00 0.00 O ATOM 540 CB ARG A 35 -6.798 3.830 -7.619 1.00 0.00 C ATOM 541 CG ARG A 35 -6.772 2.554 -6.792 1.00 0.00 C ATOM 542 CD ARG A 35 -5.876 1.500 -7.423 1.00 0.00 C ATOM 543 NE ARG A 35 -5.646 0.370 -6.526 1.00 0.00 N ATOM 544 CZ ARG A 35 -4.894 -0.678 -6.843 1.00 0.00 C ATOM 545 NH1 ARG A 35 -4.302 -0.740 -8.028 1.00 0.00 N ATOM 546 NH2 ARG A 35 -4.732 -1.667 -5.973 1.00 0.00 N ATOM 0 H ARG A 35 -6.940 6.100 -8.622 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.471 4.876 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.371 3.652 -8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.781 4.075 -7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.419 2.778 -5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.784 2.162 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.331 1.143 -8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.920 1.950 -7.692 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.087 0.387 -5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.423 0.018 -8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.725 -1.546 -8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.185 -1.623 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.154 -2.471 -6.217 1.00 0.00 H new ATOM 560 N TRP A 36 -5.554 5.651 -5.433 1.00 0.00 N ATOM 561 CA TRP A 36 -4.851 5.812 -4.165 1.00 0.00 C ATOM 562 C TRP A 36 -5.493 6.910 -3.323 1.00 0.00 C ATOM 563 O TRP A 36 -5.736 6.727 -2.131 1.00 0.00 O ATOM 564 CB TRP A 36 -3.377 6.139 -4.412 1.00 0.00 C ATOM 565 CG TRP A 36 -2.730 5.235 -5.418 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.974 5.612 -6.491 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.784 3.805 -5.446 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.555 4.502 -7.184 1.00 0.00 N ATOM 569 CE2 TRP A 36 -2.038 3.381 -6.562 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.389 2.841 -4.634 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.882 2.036 -6.886 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.233 1.506 -4.957 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.485 1.114 -6.075 1.00 0.00 C ATOM 0 H TRP A 36 -5.027 5.959 -6.250 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.920 4.872 -3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.293 7.171 -4.754 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.834 6.070 -3.470 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.740 6.633 -6.756 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.978 4.511 -8.025 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.968 3.134 -3.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.305 1.731 -7.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.696 0.752 -4.337 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.382 0.063 -6.301 1.00 0.00 H new ATOM 584 N GLN A 37 -5.765 8.049 -3.952 1.00 0.00 N ATOM 585 CA GLN A 37 -6.378 9.176 -3.259 1.00 0.00 C ATOM 586 C GLN A 37 -7.654 8.745 -2.543 1.00 0.00 C ATOM 587 O GLN A 37 -7.894 9.124 -1.396 1.00 0.00 O ATOM 588 CB GLN A 37 -6.689 10.302 -4.247 1.00 0.00 C ATOM 589 CG GLN A 37 -7.288 11.537 -3.593 1.00 0.00 C ATOM 590 CD GLN A 37 -6.506 11.990 -2.376 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.535 12.738 -2.490 1.00 0.00 O ATOM 592 NE2 GLN A 37 -6.927 11.538 -1.200 1.00 0.00 N ATOM 0 H GLN A 37 -5.571 8.216 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.670 9.541 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.772 10.584 -4.764 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.380 9.930 -5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.323 12.348 -4.320 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.317 11.326 -3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.737 10.920 -1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.441 11.809 -0.346 1.00 0.00 H new ATOM 601 N LYS A 38 -8.471 7.951 -3.227 1.00 0.00 N ATOM 602 CA LYS A 38 -9.723 7.467 -2.657 1.00 0.00 C ATOM 603 C LYS A 38 -9.463 6.600 -1.429 1.00 0.00 C ATOM 604 O LYS A 38 -10.115 6.759 -0.397 1.00 0.00 O ATOM 605 CB LYS A 38 -10.508 6.670 -3.701 1.00 0.00 C ATOM 606 CG LYS A 38 -10.878 7.478 -4.932 1.00 0.00 C ATOM 607 CD LYS A 38 -11.427 6.591 -6.038 1.00 0.00 C ATOM 608 CE LYS A 38 -11.469 7.323 -7.370 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.689 8.166 -7.502 1.00 0.00 N ATOM 0 H LYS A 38 -8.288 7.629 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.312 8.332 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.916 5.807 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.419 6.285 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.621 8.230 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.000 8.012 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.808 5.699 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.430 6.257 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.582 7.950 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.439 6.598 -8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.680 8.648 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.535 7.565 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.705 8.874 -6.741 1.00 0.00 H new ATOM 623 N ILE A 39 -8.507 5.686 -1.548 1.00 0.00 N ATOM 624 CA ILE A 39 -8.160 4.797 -0.447 1.00 0.00 C ATOM 625 C ILE A 39 -7.646 5.583 0.754 1.00 0.00 C ATOM 626 O ILE A 39 -7.997 5.292 1.897 1.00 0.00 O ATOM 627 CB ILE A 39 -7.093 3.769 -0.868 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.693 2.744 -1.833 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.513 3.076 0.356 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.656 1.989 -2.634 1.00 0.00 C ATOM 0 H ILE A 39 -7.959 5.542 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.072 4.269 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.287 4.294 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.292 2.031 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.369 3.255 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.761 2.353 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.053 3.817 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.309 2.561 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.153 1.280 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.072 2.692 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.994 1.450 -1.956 1.00 0.00 H new ATOM 642 N ALA A 40 -6.812 6.583 0.486 1.00 0.00 N ATOM 643 CA ALA A 40 -6.253 7.415 1.544 1.00 0.00 C ATOM 644 C ALA A 40 -7.354 8.018 2.410 1.00 0.00 C ATOM 645 O ALA A 40 -7.396 7.797 3.620 1.00 0.00 O ATOM 646 CB ALA A 40 -5.386 8.515 0.949 1.00 0.00 C ATOM 0 H ALA A 40 -6.509 6.836 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.633 6.782 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.975 9.128 1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.571 8.068 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.990 9.138 0.289 1.00 0.00 H new ATOM 652 N ASP A 41 -8.243 8.779 1.782 1.00 0.00 N ATOM 653 CA ASP A 41 -9.346 9.414 2.495 1.00 0.00 C ATOM 654 C ASP A 41 -9.844 8.523 3.628 1.00 0.00 C ATOM 655 O ASP A 41 -9.864 8.932 4.789 1.00 0.00 O ATOM 656 CB ASP A 41 -10.493 9.724 1.532 1.00 0.00 C ATOM 657 CG ASP A 41 -11.343 10.889 2.000 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.784 11.825 2.609 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.567 10.864 1.756 1.00 0.00 O ATOM 0 H ASP A 41 -8.222 8.972 0.781 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.980 10.347 2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.085 9.948 0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.121 8.840 1.423 1.00 0.00 H new ATOM 664 N GLU A 42 -10.246 7.304 3.283 1.00 0.00 N ATOM 665 CA GLU A 42 -10.746 6.356 4.273 1.00 0.00 C ATOM 666 C GLU A 42 -9.791 6.252 5.458 1.00 0.00 C ATOM 667 O GLU A 42 -10.181 6.466 6.606 1.00 0.00 O ATOM 668 CB GLU A 42 -10.942 4.978 3.638 1.00 0.00 C ATOM 669 CG GLU A 42 -12.322 4.775 3.036 1.00 0.00 C ATOM 670 CD GLU A 42 -13.383 4.511 4.087 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.756 5.463 4.805 1.00 0.00 O ATOM 672 OE2 GLU A 42 -13.841 3.354 4.192 1.00 0.00 O ATOM 0 H GLU A 42 -10.235 6.949 2.327 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.707 6.721 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.191 4.836 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.768 4.211 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.597 5.659 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.291 3.938 2.338 1.00 0.00 H new ATOM 679 N LEU A 43 -8.536 5.921 5.171 1.00 0.00 N ATOM 680 CA LEU A 43 -7.523 5.788 6.212 1.00 0.00 C ATOM 681 C LEU A 43 -7.498 7.021 7.109 1.00 0.00 C ATOM 682 O LEU A 43 -7.710 6.927 8.317 1.00 0.00 O ATOM 683 CB LEU A 43 -6.145 5.571 5.586 1.00 0.00 C ATOM 684 CG LEU A 43 -6.020 4.381 4.633 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.824 4.559 3.711 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.905 3.081 5.415 1.00 0.00 C ATOM 0 H LEU A 43 -8.196 5.740 4.226 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.778 4.922 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.868 6.475 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.419 5.445 6.389 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.921 4.334 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.751 3.703 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.949 5.470 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.914 4.632 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.817 2.245 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.022 3.117 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.794 2.948 6.032 1.00 0.00 H new ATOM 698 N GLY A 44 -7.239 8.179 6.508 1.00 0.00 N ATOM 699 CA GLY A 44 -7.194 9.414 7.267 1.00 0.00 C ATOM 700 C GLY A 44 -5.778 9.910 7.484 1.00 0.00 C ATOM 701 O GLY A 44 -5.447 11.040 7.126 1.00 0.00 O ATOM 0 H GLY A 44 -7.060 8.283 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.768 10.179 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.674 9.261 8.233 1.00 0.00 H new ATOM 705 N ASN A 45 -4.940 9.063 8.073 1.00 0.00 N ATOM 706 CA ASN A 45 -3.551 9.422 8.338 1.00 0.00 C ATOM 707 C ASN A 45 -2.713 9.334 7.067 1.00 0.00 C ATOM 708 O ASN A 45 -2.040 10.292 6.687 1.00 0.00 O ATOM 709 CB ASN A 45 -2.963 8.507 9.415 1.00 0.00 C ATOM 710 CG ASN A 45 -3.016 7.044 9.021 1.00 0.00 C ATOM 711 OD1 ASN A 45 -3.944 6.605 8.342 1.00 0.00 O ATOM 712 ND2 ASN A 45 -2.017 6.280 9.448 1.00 0.00 N ATOM 0 H ASN A 45 -5.198 8.124 8.376 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.530 10.452 8.694 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.928 8.792 9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.509 8.650 10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.999 5.287 9.215 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.268 6.686 10.009 1.00 0.00 H new ATOM 719 N ARG A 46 -2.760 8.178 6.413 1.00 0.00 N ATOM 720 CA ARG A 46 -2.005 7.964 5.184 1.00 0.00 C ATOM 721 C ARG A 46 -2.550 8.832 4.053 1.00 0.00 C ATOM 722 O ARG A 46 -3.633 9.407 4.163 1.00 0.00 O ATOM 723 CB ARG A 46 -2.056 6.489 4.779 1.00 0.00 C ATOM 724 CG ARG A 46 -1.296 5.572 5.723 1.00 0.00 C ATOM 725 CD ARG A 46 0.184 5.920 5.766 1.00 0.00 C ATOM 726 NE ARG A 46 0.479 6.936 6.773 1.00 0.00 N ATOM 727 CZ ARG A 46 1.675 7.094 7.329 1.00 0.00 C ATOM 728 NH1 ARG A 46 2.682 6.307 6.978 1.00 0.00 N ATOM 729 NH2 ARG A 46 1.865 8.041 8.239 1.00 0.00 N ATOM 0 H ARG A 46 -3.313 7.375 6.714 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.969 8.247 5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.097 6.169 4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.647 6.382 3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.718 5.649 6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.418 4.537 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.762 5.021 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.501 6.278 4.786 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.275 7.558 7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.540 5.578 6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.599 6.431 7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.092 8.648 8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.784 8.162 8.665 1.00 0.00 H new ATOM 743 N THR A 47 -1.791 8.922 2.965 1.00 0.00 N ATOM 744 CA THR A 47 -2.196 9.721 1.815 1.00 0.00 C ATOM 745 C THR A 47 -1.846 9.019 0.508 1.00 0.00 C ATOM 746 O THR A 47 -0.977 8.149 0.473 1.00 0.00 O ATOM 747 CB THR A 47 -1.530 11.110 1.833 1.00 0.00 C ATOM 748 OG1 THR A 47 -1.968 11.878 0.707 1.00 0.00 O ATOM 749 CG2 THR A 47 -0.014 10.983 1.809 1.00 0.00 C ATOM 0 H THR A 47 -0.893 8.451 2.856 1.00 0.00 H new ATOM 0 HA THR A 47 -3.277 9.844 1.880 1.00 0.00 H new ATOM 0 HB THR A 47 -1.822 11.617 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.541 12.760 0.727 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.435 11.976 1.822 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.318 10.423 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.293 10.458 0.904 1.00 0.00 H new ATOM 757 N ALA A 48 -2.529 9.403 -0.565 1.00 0.00 N ATOM 758 CA ALA A 48 -2.288 8.812 -1.876 1.00 0.00 C ATOM 759 C ALA A 48 -0.805 8.523 -2.083 1.00 0.00 C ATOM 760 O ALA A 48 -0.438 7.610 -2.823 1.00 0.00 O ATOM 761 CB ALA A 48 -2.807 9.730 -2.972 1.00 0.00 C ATOM 0 H ALA A 48 -3.254 10.121 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.826 7.865 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.620 9.276 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.878 9.882 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.295 10.690 -2.915 1.00 0.00 H new ATOM 767 N LYS A 49 0.043 9.307 -1.427 1.00 0.00 N ATOM 768 CA LYS A 49 1.487 9.135 -1.538 1.00 0.00 C ATOM 769 C LYS A 49 1.952 7.916 -0.749 1.00 0.00 C ATOM 770 O LYS A 49 2.338 6.901 -1.329 1.00 0.00 O ATOM 771 CB LYS A 49 2.210 10.387 -1.036 1.00 0.00 C ATOM 772 CG LYS A 49 3.514 10.669 -1.763 1.00 0.00 C ATOM 773 CD LYS A 49 3.268 11.299 -3.124 1.00 0.00 C ATOM 774 CE LYS A 49 4.396 10.985 -4.095 1.00 0.00 C ATOM 775 NZ LYS A 49 4.273 11.764 -5.359 1.00 0.00 N ATOM 0 H LYS A 49 -0.245 10.068 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 49 1.730 8.979 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.549 11.247 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.414 10.276 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.132 11.334 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.071 9.740 -1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.325 10.934 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.171 12.379 -3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.353 11.207 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.392 9.919 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.060 11.522 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.371 11.534 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.302 12.781 -5.144 1.00 0.00 H new ATOM 789 N GLN A 50 1.912 8.023 0.575 1.00 0.00 N ATOM 790 CA GLN A 50 2.330 6.927 1.442 1.00 0.00 C ATOM 791 C GLN A 50 1.639 5.626 1.046 1.00 0.00 C ATOM 792 O GLN A 50 2.235 4.551 1.109 1.00 0.00 O ATOM 793 CB GLN A 50 2.020 7.259 2.903 1.00 0.00 C ATOM 794 CG GLN A 50 2.925 8.330 3.489 1.00 0.00 C ATOM 795 CD GLN A 50 3.419 9.312 2.445 1.00 0.00 C ATOM 796 OE1 GLN A 50 4.215 8.962 1.573 1.00 0.00 O ATOM 797 NE2 GLN A 50 2.947 10.551 2.527 1.00 0.00 N ATOM 0 H GLN A 50 1.595 8.856 1.071 1.00 0.00 H new ATOM 0 HA GLN A 50 3.406 6.795 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.984 7.589 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.111 6.352 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.385 8.872 4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.781 7.855 3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.289 10.798 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.243 11.255 1.851 1.00 0.00 H new ATOM 806 N VAL A 51 0.379 5.731 0.638 1.00 0.00 N ATOM 807 CA VAL A 51 -0.393 4.563 0.231 1.00 0.00 C ATOM 808 C VAL A 51 0.222 3.898 -0.995 1.00 0.00 C ATOM 809 O VAL A 51 0.446 2.688 -1.011 1.00 0.00 O ATOM 810 CB VAL A 51 -1.855 4.936 -0.079 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.617 3.726 -0.598 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.531 5.513 1.156 1.00 0.00 C ATOM 0 H VAL A 51 -0.129 6.613 0.580 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.374 3.864 1.067 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.860 5.699 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.648 4.009 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.144 3.362 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.606 2.938 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.563 5.771 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.517 4.774 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.998 6.408 1.478 1.00 0.00 H new ATOM 822 N ALA A 52 0.493 4.698 -2.021 1.00 0.00 N ATOM 823 CA ALA A 52 1.084 4.188 -3.252 1.00 0.00 C ATOM 824 C ALA A 52 2.353 3.393 -2.963 1.00 0.00 C ATOM 825 O ALA A 52 2.516 2.270 -3.441 1.00 0.00 O ATOM 826 CB ALA A 52 1.384 5.333 -4.208 1.00 0.00 C ATOM 0 H ALA A 52 0.313 5.702 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 52 0.364 3.517 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.825 4.937 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.459 5.858 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.083 6.025 -3.739 1.00 0.00 H new ATOM 832 N SER A 53 3.249 3.982 -2.178 1.00 0.00 N ATOM 833 CA SER A 53 4.506 3.330 -1.828 1.00 0.00 C ATOM 834 C SER A 53 4.252 2.049 -1.040 1.00 0.00 C ATOM 835 O SER A 53 5.048 1.111 -1.087 1.00 0.00 O ATOM 836 CB SER A 53 5.388 4.278 -1.013 1.00 0.00 C ATOM 837 OG SER A 53 4.688 4.786 0.110 1.00 0.00 O ATOM 0 H SER A 53 3.128 4.910 -1.772 1.00 0.00 H new ATOM 0 HA SER A 53 5.022 3.071 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.283 3.752 -0.680 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.719 5.103 -1.643 1.00 0.00 H new ATOM 0 HG SER A 53 3.775 4.429 0.116 1.00 0.00 H new ATOM 843 N GLN A 54 3.138 2.017 -0.316 1.00 0.00 N ATOM 844 CA GLN A 54 2.779 0.852 0.483 1.00 0.00 C ATOM 845 C GLN A 54 2.230 -0.265 -0.398 1.00 0.00 C ATOM 846 O GLN A 54 2.518 -1.442 -0.179 1.00 0.00 O ATOM 847 CB GLN A 54 1.747 1.234 1.545 1.00 0.00 C ATOM 848 CG GLN A 54 1.628 0.219 2.670 1.00 0.00 C ATOM 849 CD GLN A 54 2.928 0.029 3.426 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.917 0.715 3.165 1.00 0.00 O ATOM 851 NE2 GLN A 54 2.934 -0.906 4.369 1.00 0.00 N ATOM 0 H GLN A 54 2.468 2.785 -0.266 1.00 0.00 H new ATOM 0 HA GLN A 54 3.681 0.490 0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.014 2.203 1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.774 1.352 1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.852 0.542 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.309 -0.738 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.092 -1.451 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.781 -1.079 4.910 1.00 0.00 H new ATOM 860 N VAL A 55 1.437 0.112 -1.397 1.00 0.00 N ATOM 861 CA VAL A 55 0.848 -0.858 -2.313 1.00 0.00 C ATOM 862 C VAL A 55 1.909 -1.478 -3.214 1.00 0.00 C ATOM 863 O VAL A 55 1.947 -2.694 -3.398 1.00 0.00 O ATOM 864 CB VAL A 55 -0.241 -0.212 -3.190 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.798 -1.222 -4.181 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.351 0.364 -2.323 1.00 0.00 C ATOM 0 H VAL A 55 1.188 1.082 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 55 0.396 -1.638 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 55 0.209 0.605 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.566 -0.747 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.005 -1.582 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.233 -2.062 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.112 0.816 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.800 -0.433 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.937 1.122 -1.658 1.00 0.00 H new ATOM 876 N GLN A 56 2.771 -0.634 -3.773 1.00 0.00 N ATOM 877 CA GLN A 56 3.833 -1.100 -4.655 1.00 0.00 C ATOM 878 C GLN A 56 4.687 -2.159 -3.967 1.00 0.00 C ATOM 879 O GLN A 56 5.132 -3.120 -4.597 1.00 0.00 O ATOM 880 CB GLN A 56 4.711 0.073 -5.095 1.00 0.00 C ATOM 881 CG GLN A 56 5.629 0.590 -3.999 1.00 0.00 C ATOM 882 CD GLN A 56 6.723 1.494 -4.533 1.00 0.00 C ATOM 883 OE1 GLN A 56 7.910 1.244 -4.318 1.00 0.00 O ATOM 884 NE2 GLN A 56 6.329 2.552 -5.232 1.00 0.00 N ATOM 0 H GLN A 56 2.754 0.376 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 56 3.370 -1.548 -5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.315 -0.236 -5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.071 0.887 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.039 1.136 -3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.082 -0.255 -3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.335 2.720 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.021 3.196 -5.615 1.00 0.00 H new ATOM 893 N LYS A 57 4.914 -1.979 -2.670 1.00 0.00 N ATOM 894 CA LYS A 57 5.714 -2.919 -1.895 1.00 0.00 C ATOM 895 C LYS A 57 4.839 -4.019 -1.302 1.00 0.00 C ATOM 896 O LYS A 57 5.231 -4.692 -0.349 1.00 0.00 O ATOM 897 CB LYS A 57 6.457 -2.186 -0.776 1.00 0.00 C ATOM 898 CG LYS A 57 7.647 -1.377 -1.264 1.00 0.00 C ATOM 899 CD LYS A 57 7.901 -0.169 -0.378 1.00 0.00 C ATOM 900 CE LYS A 57 9.056 0.672 -0.900 1.00 0.00 C ATOM 901 NZ LYS A 57 9.330 1.843 -0.022 1.00 0.00 N ATOM 0 H LYS A 57 4.554 -1.190 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 57 6.440 -3.378 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.761 -1.521 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.800 -2.914 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.535 -2.009 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.469 -1.048 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.999 0.441 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.120 -0.501 0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.951 0.055 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.826 1.019 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.124 2.391 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.484 2.446 0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.574 1.511 0.933 1.00 0.00 H new ATOM 915 N TYR A 58 3.653 -4.197 -1.874 1.00 0.00 N ATOM 916 CA TYR A 58 2.722 -5.215 -1.402 1.00 0.00 C ATOM 917 C TYR A 58 2.467 -6.263 -2.481 1.00 0.00 C ATOM 918 O TYR A 58 2.514 -7.465 -2.219 1.00 0.00 O ATOM 919 CB TYR A 58 1.401 -4.571 -0.978 1.00 0.00 C ATOM 920 CG TYR A 58 1.359 -4.178 0.481 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.519 -3.821 1.158 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.160 -4.165 1.183 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.485 -3.462 2.492 1.00 0.00 C ATOM 924 CE2 TYR A 58 0.117 -3.807 2.517 1.00 0.00 C ATOM 925 CZ TYR A 58 1.282 -3.456 3.167 1.00 0.00 C ATOM 926 OH TYR A 58 1.244 -3.099 4.495 1.00 0.00 O ATOM 0 H TYR A 58 3.314 -3.650 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 58 3.170 -5.709 -0.540 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.226 -3.686 -1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.586 -5.266 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.463 -3.824 0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.754 -4.439 0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.396 -3.188 3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.824 -3.802 3.048 1.00 0.00 H new ATOM 0 HH TYR A 58 0.321 -3.146 4.820 1.00 0.00 H new ATOM 936 N PHE A 59 2.198 -5.798 -3.696 1.00 0.00 N ATOM 937 CA PHE A 59 1.935 -6.694 -4.816 1.00 0.00 C ATOM 938 C PHE A 59 3.221 -7.007 -5.576 1.00 0.00 C ATOM 939 O PHE A 59 3.378 -8.096 -6.128 1.00 0.00 O ATOM 940 CB PHE A 59 0.908 -6.071 -5.765 1.00 0.00 C ATOM 941 CG PHE A 59 -0.449 -5.894 -5.146 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.606 -5.147 -3.990 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.568 -6.474 -5.722 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.854 -4.984 -3.418 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.818 -6.314 -5.155 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.962 -5.567 -4.003 1.00 0.00 C ATOM 0 H PHE A 59 2.156 -4.806 -3.930 1.00 0.00 H new ATOM 0 HA PHE A 59 1.533 -7.625 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.276 -5.101 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.815 -6.699 -6.651 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.256 -4.687 -3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.462 -7.058 -6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.963 -4.402 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.682 -6.773 -5.613 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.938 -5.439 -3.560 1.00 0.00 H new ATOM 956 N ILE A 60 4.137 -6.044 -5.598 1.00 0.00 N ATOM 957 CA ILE A 60 5.409 -6.217 -6.288 1.00 0.00 C ATOM 958 C ILE A 60 6.446 -6.864 -5.376 1.00 0.00 C ATOM 959 O ILE A 60 7.344 -7.567 -5.839 1.00 0.00 O ATOM 960 CB ILE A 60 5.959 -4.873 -6.800 1.00 0.00 C ATOM 961 CG1 ILE A 60 4.839 -4.048 -7.438 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.085 -5.106 -7.796 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.193 -2.590 -7.625 1.00 0.00 C ATOM 0 H ILE A 60 4.022 -5.137 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 60 5.220 -6.871 -7.139 1.00 0.00 H new ATOM 0 HB ILE A 60 6.359 -4.315 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.588 -4.480 -8.407 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.947 -4.120 -6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.463 -4.146 -8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.891 -5.658 -7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.709 -5.681 -8.642 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.353 -2.067 -8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.415 -2.142 -6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.066 -2.508 -8.272 1.00 0.00 H new ATOM 975 N LYS A 61 6.315 -6.622 -4.076 1.00 0.00 N ATOM 976 CA LYS A 61 7.239 -7.182 -3.097 1.00 0.00 C ATOM 977 C LYS A 61 7.195 -8.707 -3.118 1.00 0.00 C ATOM 978 O LYS A 61 8.184 -9.371 -2.806 1.00 0.00 O ATOM 979 CB LYS A 61 6.899 -6.671 -1.695 1.00 0.00 C ATOM 980 CG LYS A 61 5.651 -7.302 -1.103 1.00 0.00 C ATOM 981 CD LYS A 61 5.734 -7.388 0.411 1.00 0.00 C ATOM 982 CE LYS A 61 4.421 -7.865 1.015 1.00 0.00 C ATOM 983 NZ LYS A 61 4.406 -7.717 2.497 1.00 0.00 N ATOM 0 H LYS A 61 5.578 -6.042 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 61 8.247 -6.861 -3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.743 -6.864 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.766 -5.590 -1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.776 -6.717 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.515 -8.301 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.535 -8.070 0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.989 -6.410 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.596 -7.297 0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.259 -8.911 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.495 -8.053 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.178 -8.279 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.535 -6.716 2.747 1.00 0.00 H new ATOM 997 N LEU A 62 6.044 -9.256 -3.490 1.00 0.00 N ATOM 998 CA LEU A 62 5.872 -10.703 -3.554 1.00 0.00 C ATOM 999 C LEU A 62 6.327 -11.247 -4.904 1.00 0.00 C ATOM 1000 O LEU A 62 6.905 -12.331 -4.988 1.00 0.00 O ATOM 1001 CB LEU A 62 4.409 -11.074 -3.308 1.00 0.00 C ATOM 1002 CG LEU A 62 3.448 -10.821 -4.471 1.00 0.00 C ATOM 1003 CD1 LEU A 62 3.435 -12.008 -5.421 1.00 0.00 C ATOM 1004 CD2 LEU A 62 2.046 -10.535 -3.952 1.00 0.00 C ATOM 0 H LEU A 62 5.216 -8.721 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 62 6.490 -11.152 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.362 -12.131 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.054 -10.516 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 62 3.796 -9.946 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.746 -11.810 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.437 -12.166 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.113 -12.900 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.376 -10.357 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.689 -11.390 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.068 -9.652 -3.313 1.00 0.00 H new ATOM 1016 N THR A 63 6.064 -10.485 -5.962 1.00 0.00 N ATOM 1017 CA THR A 63 6.447 -10.889 -7.309 1.00 0.00 C ATOM 1018 C THR A 63 7.877 -11.414 -7.340 1.00 0.00 C ATOM 1019 O THR A 63 8.800 -10.763 -6.850 1.00 0.00 O ATOM 1020 CB THR A 63 6.320 -9.719 -8.303 1.00 0.00 C ATOM 1021 OG1 THR A 63 5.019 -9.129 -8.202 1.00 0.00 O ATOM 1022 CG2 THR A 63 6.557 -10.193 -9.729 1.00 0.00 C ATOM 0 H THR A 63 5.587 -9.585 -5.911 1.00 0.00 H new ATOM 0 HA THR A 63 5.765 -11.685 -7.606 1.00 0.00 H new ATOM 0 HB THR A 63 7.076 -8.975 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.947 -8.385 -8.836 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.462 -9.350 -10.413 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.559 -10.615 -9.810 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.820 -10.954 -9.987 1.00 0.00 H new ATOM 1030 N LYS A 64 8.056 -12.597 -7.919 1.00 0.00 N ATOM 1031 CA LYS A 64 9.375 -13.210 -8.017 1.00 0.00 C ATOM 1032 C LYS A 64 10.244 -12.473 -9.030 1.00 0.00 C ATOM 1033 O LYS A 64 11.354 -12.045 -8.715 1.00 0.00 O ATOM 1034 CB LYS A 64 9.247 -14.683 -8.413 1.00 0.00 C ATOM 1035 CG LYS A 64 8.984 -15.609 -7.238 1.00 0.00 C ATOM 1036 CD LYS A 64 9.370 -17.042 -7.560 1.00 0.00 C ATOM 1037 CE LYS A 64 8.288 -17.744 -8.366 1.00 0.00 C ATOM 1038 NZ LYS A 64 8.310 -17.335 -9.798 1.00 0.00 N ATOM 0 H LYS A 64 7.303 -13.150 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 64 9.853 -13.143 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.437 -14.787 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.163 -14.997 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.547 -15.266 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.928 -15.567 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.305 -17.051 -8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.548 -17.589 -6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.424 -18.823 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.311 -17.517 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.102 -18.159 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.593 -16.599 -9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.250 -16.961 -10.038 1.00 0.00 H new ATOM 1052 N ALA A 65 9.731 -12.328 -10.248 1.00 0.00 N ATOM 1053 CA ALA A 65 10.460 -11.640 -11.306 1.00 0.00 C ATOM 1054 C ALA A 65 10.446 -10.131 -11.091 1.00 0.00 C ATOM 1055 O ALA A 65 9.743 -9.625 -10.216 1.00 0.00 O ATOM 1056 CB ALA A 65 9.869 -11.986 -12.665 1.00 0.00 C ATOM 0 H ALA A 65 8.814 -12.678 -10.526 1.00 0.00 H new ATOM 0 HA ALA A 65 11.497 -11.975 -11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.423 -11.465 -13.446 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.936 -13.062 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.824 -11.679 -12.696 1.00 0.00 H new ATOM 1062 N GLY A 66 11.228 -9.415 -11.893 1.00 0.00 N ATOM 1063 CA GLY A 66 11.291 -7.970 -11.773 1.00 0.00 C ATOM 1064 C GLY A 66 11.609 -7.519 -10.361 1.00 0.00 C ATOM 1065 O GLY A 66 10.942 -6.638 -9.819 1.00 0.00 O ATOM 0 H GLY A 66 11.819 -9.810 -12.624 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.050 -7.585 -12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.338 -7.541 -12.082 1.00 0.00 H new ATOM 1069 N ILE A 67 12.630 -8.126 -9.764 1.00 0.00 N ATOM 1070 CA ILE A 67 13.034 -7.782 -8.406 1.00 0.00 C ATOM 1071 C ILE A 67 14.472 -7.277 -8.372 1.00 0.00 C ATOM 1072 O ILE A 67 15.394 -7.921 -8.874 1.00 0.00 O ATOM 1073 CB ILE A 67 12.902 -8.987 -7.457 1.00 0.00 C ATOM 1074 CG1 ILE A 67 11.428 -9.271 -7.160 1.00 0.00 C ATOM 1075 CG2 ILE A 67 13.668 -8.732 -6.168 1.00 0.00 C ATOM 1076 CD1 ILE A 67 10.755 -8.185 -6.351 1.00 0.00 C ATOM 0 H ILE A 67 13.192 -8.858 -10.199 1.00 0.00 H new ATOM 0 HA ILE A 67 12.365 -6.990 -8.069 1.00 0.00 H new ATOM 0 HB ILE A 67 13.330 -9.863 -7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.893 -9.396 -8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 67 11.350 -10.215 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.565 -9.593 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 67 14.722 -8.574 -6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.267 -7.846 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.713 -8.453 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.265 -8.075 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.802 -7.243 -6.897 1.00 0.00 H new ATOM 1088 N PRO A 68 14.672 -6.098 -7.765 1.00 0.00 N ATOM 1089 CA PRO A 68 15.997 -5.482 -7.648 1.00 0.00 C ATOM 1090 C PRO A 68 16.907 -6.241 -6.689 1.00 0.00 C ATOM 1091 O PRO A 68 16.717 -6.199 -5.473 1.00 0.00 O ATOM 1092 CB PRO A 68 15.691 -4.085 -7.103 1.00 0.00 C ATOM 1093 CG PRO A 68 14.393 -4.233 -6.387 1.00 0.00 C ATOM 1094 CD PRO A 68 13.619 -5.276 -7.145 1.00 0.00 C ATOM 0 HA PRO A 68 16.529 -5.476 -8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 68 16.477 -3.742 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.618 -3.353 -7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.550 -4.539 -5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.852 -3.287 -6.361 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.986 -5.867 -6.483 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.966 -4.827 -7.894 1.00 0.00 H new ATOM 1102 N VAL A 69 17.896 -6.934 -7.243 1.00 0.00 N ATOM 1103 CA VAL A 69 18.837 -7.702 -6.436 1.00 0.00 C ATOM 1104 C VAL A 69 19.126 -7.001 -5.113 1.00 0.00 C ATOM 1105 O VAL A 69 19.262 -5.778 -5.063 1.00 0.00 O ATOM 1106 CB VAL A 69 20.164 -7.929 -7.184 1.00 0.00 C ATOM 1107 CG1 VAL A 69 20.861 -6.603 -7.450 1.00 0.00 C ATOM 1108 CG2 VAL A 69 21.066 -8.866 -6.397 1.00 0.00 C ATOM 0 H VAL A 69 18.067 -6.980 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 69 18.370 -8.667 -6.239 1.00 0.00 H new ATOM 0 HB VAL A 69 19.944 -8.396 -8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 69 21.797 -6.784 -7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.216 -5.969 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 69 21.070 -6.105 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 69 21.999 -9.015 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 69 21.280 -8.430 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 69 20.566 -9.826 -6.264 1.00 0.00 H new ATOM 1118 N SER A 70 19.219 -7.783 -4.043 1.00 0.00 N ATOM 1119 CA SER A 70 19.489 -7.237 -2.718 1.00 0.00 C ATOM 1120 C SER A 70 20.592 -6.185 -2.778 1.00 0.00 C ATOM 1121 O SER A 70 21.506 -6.274 -3.596 1.00 0.00 O ATOM 1122 CB SER A 70 19.888 -8.356 -1.754 1.00 0.00 C ATOM 1123 OG SER A 70 18.757 -9.103 -1.343 1.00 0.00 O ATOM 0 H SER A 70 19.111 -8.797 -4.067 1.00 0.00 H new ATOM 0 HA SER A 70 18.577 -6.762 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.608 -9.017 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 70 20.382 -7.929 -0.881 1.00 0.00 H new ATOM 0 HG SER A 70 19.039 -9.813 -0.729 1.00 0.00 H new ATOM 1129 N GLY A 71 20.498 -5.187 -1.904 1.00 0.00 N ATOM 1130 CA GLY A 71 21.493 -4.131 -1.874 1.00 0.00 C ATOM 1131 C GLY A 71 22.074 -3.922 -0.490 1.00 0.00 C ATOM 1132 O GLY A 71 21.433 -4.197 0.524 1.00 0.00 O ATOM 0 H GLY A 71 19.751 -5.091 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 71 22.297 -4.373 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 71 21.042 -3.201 -2.220 1.00 0.00 H new ATOM 1136 N PRO A 72 23.319 -3.424 -0.436 1.00 0.00 N ATOM 1137 CA PRO A 72 24.015 -3.169 0.829 1.00 0.00 C ATOM 1138 C PRO A 72 23.409 -2.000 1.598 1.00 0.00 C ATOM 1139 O PRO A 72 23.639 -1.848 2.797 1.00 0.00 O ATOM 1140 CB PRO A 72 25.442 -2.836 0.387 1.00 0.00 C ATOM 1141 CG PRO A 72 25.299 -2.323 -1.004 1.00 0.00 C ATOM 1142 CD PRO A 72 24.142 -3.073 -1.605 1.00 0.00 C ATOM 0 HA PRO A 72 23.952 -4.019 1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 72 25.894 -2.089 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 72 26.082 -3.718 0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.112 -1.249 -1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 72 26.211 -2.489 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 72 23.590 -2.458 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 72 24.475 -3.960 -2.143 1.00 0.00 H new ATOM 1150 N SER A 73 22.635 -1.176 0.899 1.00 0.00 N ATOM 1151 CA SER A 73 21.999 -0.018 1.516 1.00 0.00 C ATOM 1152 C SER A 73 21.297 -0.410 2.813 1.00 0.00 C ATOM 1153 O SER A 73 20.298 -1.129 2.799 1.00 0.00 O ATOM 1154 CB SER A 73 20.994 0.614 0.550 1.00 0.00 C ATOM 1155 OG SER A 73 20.335 1.716 1.149 1.00 0.00 O ATOM 0 H SER A 73 22.433 -1.289 -0.094 1.00 0.00 H new ATOM 0 HA SER A 73 22.776 0.710 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.509 0.941 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 73 20.259 -0.131 0.245 1.00 0.00 H new ATOM 0 HG SER A 73 19.700 2.103 0.511 1.00 0.00 H new ATOM 1161 N SER A 74 21.829 0.069 3.934 1.00 0.00 N ATOM 1162 CA SER A 74 21.257 -0.234 5.241 1.00 0.00 C ATOM 1163 C SER A 74 21.522 0.901 6.225 1.00 0.00 C ATOM 1164 O SER A 74 22.189 1.881 5.896 1.00 0.00 O ATOM 1165 CB SER A 74 21.838 -1.542 5.784 1.00 0.00 C ATOM 1166 OG SER A 74 20.973 -2.123 6.744 1.00 0.00 O ATOM 0 H SER A 74 22.654 0.668 3.963 1.00 0.00 H new ATOM 0 HA SER A 74 20.179 -0.345 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.998 -2.241 4.963 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.812 -1.352 6.235 1.00 0.00 H new ATOM 0 HG SER A 74 21.365 -2.958 7.075 1.00 0.00 H new ATOM 1172 N GLY A 75 20.993 0.760 7.437 1.00 0.00 N ATOM 1173 CA GLY A 75 21.182 1.779 8.452 1.00 0.00 C ATOM 1174 C GLY A 75 22.588 1.780 9.018 1.00 0.00 C ATOM 1175 O GLY A 75 23.151 0.723 9.302 1.00 0.00 O ATOM 0 H GLY A 75 20.437 -0.042 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.965 2.758 8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 75 20.468 1.619 9.260 1.00 0.00 H new TER 1179 GLY A 75