USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 740 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 91 GLN :FLIP amide:sc= 0.953 F(o=0.91,f=1.8) USER MOD Set 1.2: A 93 SER OG : rot 122:sc= 0.808 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc=-0.000728 X(o=-0.00073,f=-0.031) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.198 K(o=-0.2,f=-7.2!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 142:sc= -1.06 (180deg=-3!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 165:sc= -2.1! (180deg=-2.53) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 133:sc= -2.53 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -169:sc= -1.93 USER MOD Single : A 53 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.97) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 69 MET CE :methyl 154:sc= -5.18! (180deg=-6.94!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.839 F(o=-3.3!,f=-0.84) USER MOD Single : A 75 ASN :FLIP amide:sc= -3.81! C(o=-5.9!,f=-3.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 79 LYS NZ :NH3+ -112:sc= 1.11 (180deg=-0.0694) USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= 0.429 (180deg=0.402) USER MOD Single : A 83 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.1) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0994 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.205 25.888 2.199 1.00 0.00 N ATOM 2 CA GLY A 1 -17.653 25.034 1.112 1.00 0.00 C ATOM 3 C GLY A 1 -18.242 23.637 1.116 1.00 0.00 C ATOM 4 O GLY A 1 -19.245 23.377 0.452 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.771 26.832 2.153 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.235 25.975 2.083 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.995 25.455 3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.850 25.505 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.570 24.969 1.220 1.00 0.00 H new ATOM 10 N SER A 2 -17.616 22.735 1.865 1.00 0.00 N ATOM 11 CA SER A 2 -18.084 21.357 1.953 1.00 0.00 C ATOM 12 C SER A 2 -17.347 20.600 3.054 1.00 0.00 C ATOM 13 O SER A 2 -16.575 21.187 3.814 1.00 0.00 O ATOM 14 CB SER A 2 -17.894 20.646 0.610 1.00 0.00 C ATOM 15 OG SER A 2 -19.111 20.075 0.159 1.00 0.00 O ATOM 0 H SER A 2 -16.783 22.934 2.420 1.00 0.00 H new ATOM 0 HA SER A 2 -19.146 21.374 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.524 21.355 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.138 19.867 0.711 1.00 0.00 H new ATOM 0 HG SER A 2 -18.964 19.628 -0.701 1.00 0.00 H new ATOM 21 N SER A 3 -17.588 19.296 3.134 1.00 0.00 N ATOM 22 CA SER A 3 -16.947 18.460 4.142 1.00 0.00 C ATOM 23 C SER A 3 -16.629 17.078 3.581 1.00 0.00 C ATOM 24 O SER A 3 -15.506 16.589 3.708 1.00 0.00 O ATOM 25 CB SER A 3 -17.846 18.329 5.372 1.00 0.00 C ATOM 26 OG SER A 3 -17.550 19.330 6.331 1.00 0.00 O ATOM 0 H SER A 3 -18.223 18.795 2.513 1.00 0.00 H new ATOM 0 HA SER A 3 -16.012 18.938 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.891 18.406 5.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.715 17.343 5.819 1.00 0.00 H new ATOM 0 HG SER A 3 -18.140 19.225 7.106 1.00 0.00 H new ATOM 32 N GLY A 4 -17.624 16.453 2.961 1.00 0.00 N ATOM 33 CA GLY A 4 -17.429 15.134 2.390 1.00 0.00 C ATOM 34 C GLY A 4 -17.398 14.044 3.444 1.00 0.00 C ATOM 35 O GLY A 4 -18.256 13.162 3.460 1.00 0.00 O ATOM 0 H GLY A 4 -18.562 16.836 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.230 14.927 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.495 15.119 1.829 1.00 0.00 H new ATOM 39 N SER A 5 -16.405 14.106 4.325 1.00 0.00 N ATOM 40 CA SER A 5 -16.263 13.117 5.389 1.00 0.00 C ATOM 41 C SER A 5 -16.481 13.754 6.757 1.00 0.00 C ATOM 42 O SER A 5 -15.568 14.348 7.328 1.00 0.00 O ATOM 43 CB SER A 5 -14.880 12.468 5.330 1.00 0.00 C ATOM 44 OG SER A 5 -14.944 11.096 5.677 1.00 0.00 O ATOM 0 H SER A 5 -15.687 14.830 4.324 1.00 0.00 H new ATOM 0 HA SER A 5 -17.023 12.350 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.468 12.573 4.326 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.203 12.986 6.009 1.00 0.00 H new ATOM 0 HG SER A 5 -14.047 10.704 5.630 1.00 0.00 H new ATOM 50 N SER A 6 -17.697 13.625 7.276 1.00 0.00 N ATOM 51 CA SER A 6 -18.036 14.188 8.579 1.00 0.00 C ATOM 52 C SER A 6 -17.808 13.167 9.688 1.00 0.00 C ATOM 53 O SER A 6 -18.544 12.187 9.805 1.00 0.00 O ATOM 54 CB SER A 6 -19.491 14.659 8.592 1.00 0.00 C ATOM 55 OG SER A 6 -19.585 16.038 8.282 1.00 0.00 O ATOM 0 H SER A 6 -18.464 13.136 6.815 1.00 0.00 H new ATOM 0 HA SER A 6 -17.384 15.043 8.759 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.070 14.081 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.927 14.473 9.573 1.00 0.00 H new ATOM 0 HG SER A 6 -20.526 16.313 8.295 1.00 0.00 H new ATOM 61 N GLY A 7 -16.785 13.404 10.503 1.00 0.00 N ATOM 62 CA GLY A 7 -16.480 12.496 11.594 1.00 0.00 C ATOM 63 C GLY A 7 -15.126 12.771 12.216 1.00 0.00 C ATOM 64 O GLY A 7 -15.024 13.521 13.188 1.00 0.00 O ATOM 0 H GLY A 7 -16.162 14.208 10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.252 12.580 12.359 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.506 11.470 11.227 1.00 0.00 H new ATOM 68 N LEU A 8 -14.084 12.162 11.660 1.00 0.00 N ATOM 69 CA LEU A 8 -12.730 12.345 12.168 1.00 0.00 C ATOM 70 C LEU A 8 -12.635 11.917 13.629 1.00 0.00 C ATOM 71 O LEU A 8 -13.627 11.505 14.231 1.00 0.00 O ATOM 72 CB LEU A 8 -12.300 13.807 12.024 1.00 0.00 C ATOM 73 CG LEU A 8 -12.402 14.376 10.607 1.00 0.00 C ATOM 74 CD1 LEU A 8 -13.671 15.203 10.452 1.00 0.00 C ATOM 75 CD2 LEU A 8 -11.175 15.212 10.277 1.00 0.00 C ATOM 0 H LEU A 8 -14.152 11.537 10.857 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.061 11.718 11.579 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.912 14.417 12.689 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.269 13.902 12.364 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.448 13.543 9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.726 15.599 9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.541 14.574 10.643 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.656 16.029 11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.266 15.608 9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.096 16.038 10.984 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.282 14.590 10.344 1.00 0.00 H new ATOM 87 N GLN A 9 -11.436 12.015 14.193 1.00 0.00 N ATOM 88 CA GLN A 9 -11.213 11.637 15.584 1.00 0.00 C ATOM 89 C GLN A 9 -9.911 12.236 16.107 1.00 0.00 C ATOM 90 O GLN A 9 -9.867 12.785 17.208 1.00 0.00 O ATOM 91 CB GLN A 9 -11.183 10.113 15.721 1.00 0.00 C ATOM 92 CG GLN A 9 -12.161 9.575 16.752 1.00 0.00 C ATOM 93 CD GLN A 9 -11.470 9.073 18.006 1.00 0.00 C ATOM 94 OE1 GLN A 9 -10.666 8.144 17.955 1.00 0.00 O ATOM 95 NE2 GLN A 9 -11.783 9.689 19.140 1.00 0.00 N ATOM 0 H GLN A 9 -10.604 12.353 13.709 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.036 12.030 16.180 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.406 9.665 14.753 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.174 9.801 15.992 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -12.868 10.360 17.021 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -12.739 8.763 16.310 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.456 10.456 19.135 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.351 9.396 20.016 1.00 0.00 H new ATOM 104 N GLN A 10 -8.852 12.126 15.311 1.00 0.00 N ATOM 105 CA GLN A 10 -7.550 12.657 15.692 1.00 0.00 C ATOM 106 C GLN A 10 -6.802 13.190 14.475 1.00 0.00 C ATOM 107 O GLN A 10 -6.671 12.502 13.463 1.00 0.00 O ATOM 108 CB GLN A 10 -6.717 11.574 16.382 1.00 0.00 C ATOM 109 CG GLN A 10 -6.708 10.248 15.640 1.00 0.00 C ATOM 110 CD GLN A 10 -5.529 9.374 16.022 1.00 0.00 C ATOM 111 OE1 GLN A 10 -5.670 8.426 16.794 1.00 0.00 O ATOM 112 NE2 GLN A 10 -4.359 9.692 15.483 1.00 0.00 N ATOM 0 H GLN A 10 -8.871 11.673 14.397 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.711 13.481 16.387 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.692 11.928 16.488 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.105 11.415 17.388 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.635 9.713 15.848 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.683 10.437 14.567 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.289 10.487 14.848 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.529 9.141 15.704 1.00 0.00 H new ATOM 121 N GLN A 11 -6.315 14.422 14.579 1.00 0.00 N ATOM 122 CA GLN A 11 -5.581 15.049 13.486 1.00 0.00 C ATOM 123 C GLN A 11 -4.085 14.768 13.604 1.00 0.00 C ATOM 124 O GLN A 11 -3.506 14.881 14.685 1.00 0.00 O ATOM 125 CB GLN A 11 -5.834 16.558 13.473 1.00 0.00 C ATOM 126 CG GLN A 11 -6.662 17.024 12.286 1.00 0.00 C ATOM 127 CD GLN A 11 -5.902 16.946 10.978 1.00 0.00 C ATOM 128 OE1 GLN A 11 -4.881 16.263 10.880 1.00 0.00 O ATOM 129 NE2 GLN A 11 -6.393 17.648 9.964 1.00 0.00 N ATOM 0 H GLN A 11 -6.415 15.006 15.409 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.938 14.623 12.548 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.343 16.841 14.394 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.877 17.079 13.465 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.563 16.415 12.215 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.984 18.052 12.454 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.241 18.200 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.922 17.635 9.059 1.00 0.00 H new ATOM 138 N GLU A 12 -3.466 14.404 12.487 1.00 0.00 N ATOM 139 CA GLU A 12 -2.038 14.107 12.464 1.00 0.00 C ATOM 140 C GLU A 12 -1.284 15.130 11.622 1.00 0.00 C ATOM 141 O GLU A 12 -1.888 16.009 11.007 1.00 0.00 O ATOM 142 CB GLU A 12 -1.797 12.700 11.914 1.00 0.00 C ATOM 143 CG GLU A 12 -0.647 11.971 12.591 1.00 0.00 C ATOM 144 CD GLU A 12 -0.848 10.469 12.624 1.00 0.00 C ATOM 145 OE1 GLU A 12 -1.955 10.026 12.996 1.00 0.00 O ATOM 146 OE2 GLU A 12 0.102 9.736 12.279 1.00 0.00 O ATOM 0 H GLU A 12 -3.931 14.307 11.584 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.665 14.158 13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.708 12.112 12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.595 12.766 10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.281 12.198 12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.536 12.342 13.610 1.00 0.00 H new ATOM 153 N GLU A 13 0.039 15.008 11.595 1.00 0.00 N ATOM 154 CA GLU A 13 0.876 15.922 10.826 1.00 0.00 C ATOM 155 C GLU A 13 1.532 15.200 9.654 1.00 0.00 C ATOM 156 O GLU A 13 1.701 15.770 8.577 1.00 0.00 O ATOM 157 CB GLU A 13 1.950 16.541 11.723 1.00 0.00 C ATOM 158 CG GLU A 13 1.403 17.112 13.021 1.00 0.00 C ATOM 159 CD GLU A 13 2.326 16.872 14.199 1.00 0.00 C ATOM 160 OE1 GLU A 13 3.405 17.499 14.245 1.00 0.00 O ATOM 161 OE2 GLU A 13 1.970 16.055 15.075 1.00 0.00 O ATOM 0 H GLU A 13 0.555 14.285 12.097 1.00 0.00 H new ATOM 0 HA GLU A 13 0.240 16.715 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.698 15.783 11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.459 17.333 11.173 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.242 18.184 12.903 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.431 16.665 13.229 1.00 0.00 H new ATOM 168 N GLU A 14 1.900 13.942 9.872 1.00 0.00 N ATOM 169 CA GLU A 14 2.538 13.140 8.834 1.00 0.00 C ATOM 170 C GLU A 14 1.610 12.964 7.636 1.00 0.00 C ATOM 171 O GLU A 14 0.639 12.211 7.695 1.00 0.00 O ATOM 172 CB GLU A 14 2.941 11.773 9.392 1.00 0.00 C ATOM 173 CG GLU A 14 4.424 11.473 9.255 1.00 0.00 C ATOM 174 CD GLU A 14 5.253 12.122 10.347 1.00 0.00 C ATOM 175 OE1 GLU A 14 4.800 12.127 11.511 1.00 0.00 O ATOM 176 OE2 GLU A 14 6.354 12.623 10.038 1.00 0.00 O ATOM 0 H GLU A 14 1.767 13.455 10.759 1.00 0.00 H new ATOM 0 HA GLU A 14 3.433 13.665 8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.665 11.724 10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.373 10.998 8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.577 10.394 9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.773 11.821 8.283 1.00 0.00 H new ATOM 183 N THR A 15 1.916 13.665 6.549 1.00 0.00 N ATOM 184 CA THR A 15 1.110 13.587 5.336 1.00 0.00 C ATOM 185 C THR A 15 1.658 12.528 4.386 1.00 0.00 C ATOM 186 O THR A 15 0.899 11.840 3.703 1.00 0.00 O ATOM 187 CB THR A 15 1.069 14.946 4.637 1.00 0.00 C ATOM 188 OG1 THR A 15 0.470 14.834 3.358 1.00 0.00 O ATOM 189 CG2 THR A 15 2.437 15.565 4.452 1.00 0.00 C ATOM 0 H THR A 15 2.717 14.294 6.483 1.00 0.00 H new ATOM 0 HA THR A 15 0.097 13.303 5.621 1.00 0.00 H new ATOM 0 HB THR A 15 0.483 15.591 5.292 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.452 15.714 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.336 16.527 3.950 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.905 15.711 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.057 14.903 3.847 1.00 0.00 H new ATOM 197 N TYR A 16 2.981 12.403 4.346 1.00 0.00 N ATOM 198 CA TYR A 16 3.631 11.427 3.478 1.00 0.00 C ATOM 199 C TYR A 16 3.300 11.695 2.013 1.00 0.00 C ATOM 200 O TYR A 16 2.385 11.089 1.454 1.00 0.00 O ATOM 201 CB TYR A 16 3.205 10.008 3.860 1.00 0.00 C ATOM 202 CG TYR A 16 3.800 9.527 5.163 1.00 0.00 C ATOM 203 CD1 TYR A 16 5.166 9.305 5.286 1.00 0.00 C ATOM 204 CD2 TYR A 16 2.996 9.294 6.272 1.00 0.00 C ATOM 205 CE1 TYR A 16 5.714 8.865 6.476 1.00 0.00 C ATOM 206 CE2 TYR A 16 3.536 8.854 7.466 1.00 0.00 C ATOM 207 CZ TYR A 16 4.894 8.640 7.563 1.00 0.00 C ATOM 208 OH TYR A 16 5.435 8.202 8.749 1.00 0.00 O ATOM 0 H TYR A 16 3.624 12.965 4.904 1.00 0.00 H new ATOM 0 HA TYR A 16 4.709 11.522 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.118 9.971 3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.496 9.324 3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.811 9.479 4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.931 9.459 6.200 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.778 8.698 6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.897 8.679 8.319 1.00 0.00 H new ATOM 0 HH TYR A 16 4.723 8.094 9.413 1.00 0.00 H new ATOM 218 N ALA A 17 4.049 12.605 1.399 1.00 0.00 N ATOM 219 CA ALA A 17 3.834 12.952 -0.001 1.00 0.00 C ATOM 220 C ALA A 17 4.961 12.416 -0.877 1.00 0.00 C ATOM 221 O ALA A 17 4.748 12.084 -2.043 1.00 0.00 O ATOM 222 CB ALA A 17 3.713 14.459 -0.157 1.00 0.00 C ATOM 0 H ALA A 17 4.809 13.115 1.848 1.00 0.00 H new ATOM 0 HA ALA A 17 2.903 12.488 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.553 14.704 -1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.870 14.819 0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.629 14.936 0.191 1.00 0.00 H new ATOM 228 N ASP A 18 6.159 12.335 -0.309 1.00 0.00 N ATOM 229 CA ASP A 18 7.320 11.840 -1.040 1.00 0.00 C ATOM 230 C ASP A 18 7.095 10.407 -1.513 1.00 0.00 C ATOM 231 O ASP A 18 7.602 10.002 -2.559 1.00 0.00 O ATOM 232 CB ASP A 18 8.570 11.907 -0.160 1.00 0.00 C ATOM 233 CG ASP A 18 9.210 13.282 -0.169 1.00 0.00 C ATOM 234 OD1 ASP A 18 9.137 13.963 -1.214 1.00 0.00 O ATOM 235 OD2 ASP A 18 9.783 13.676 0.867 1.00 0.00 O ATOM 0 H ASP A 18 6.352 12.606 0.655 1.00 0.00 H new ATOM 0 HA ASP A 18 7.464 12.475 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.306 11.639 0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.294 11.170 -0.506 1.00 0.00 H new ATOM 240 N ALA A 19 6.330 9.647 -0.737 1.00 0.00 N ATOM 241 CA ALA A 19 6.037 8.260 -1.077 1.00 0.00 C ATOM 242 C ALA A 19 5.325 8.163 -2.423 1.00 0.00 C ATOM 243 O ALA A 19 4.885 9.170 -2.977 1.00 0.00 O ATOM 244 CB ALA A 19 5.196 7.616 0.014 1.00 0.00 C ATOM 0 H ALA A 19 5.902 9.968 0.131 1.00 0.00 H new ATOM 0 HA ALA A 19 6.983 7.724 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.985 6.581 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.741 7.643 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.259 8.162 0.121 1.00 0.00 H new ATOM 250 N CYS A 20 5.217 6.945 -2.943 1.00 0.00 N ATOM 251 CA CYS A 20 4.558 6.718 -4.225 1.00 0.00 C ATOM 252 C CYS A 20 3.214 6.024 -4.029 1.00 0.00 C ATOM 253 O CYS A 20 2.851 5.652 -2.913 1.00 0.00 O ATOM 254 CB CYS A 20 5.454 5.878 -5.140 1.00 0.00 C ATOM 255 SG CYS A 20 6.243 6.821 -6.466 1.00 0.00 S ATOM 0 H CYS A 20 5.577 6.101 -2.498 1.00 0.00 H new ATOM 0 HA CYS A 20 4.380 7.686 -4.693 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.227 5.402 -4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.858 5.079 -5.581 1.00 0.00 H new ATOM 0 HG CYS A 20 6.981 6.027 -7.184 1.00 0.00 H new ATOM 261 N ASP A 21 2.478 5.852 -5.123 1.00 0.00 N ATOM 262 CA ASP A 21 1.173 5.204 -5.075 1.00 0.00 C ATOM 263 C ASP A 21 1.289 3.780 -4.540 1.00 0.00 C ATOM 264 O ASP A 21 0.342 3.245 -3.964 1.00 0.00 O ATOM 265 CB ASP A 21 0.536 5.189 -6.465 1.00 0.00 C ATOM 266 CG ASP A 21 -0.962 5.416 -6.417 1.00 0.00 C ATOM 267 OD1 ASP A 21 -1.636 4.759 -5.597 1.00 0.00 O ATOM 268 OD2 ASP A 21 -1.462 6.251 -7.201 1.00 0.00 O ATOM 0 H ASP A 21 2.764 6.153 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 21 0.538 5.775 -4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.998 5.960 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.740 4.232 -6.945 1.00 0.00 H new ATOM 273 N GLU A 22 2.453 3.170 -4.736 1.00 0.00 N ATOM 274 CA GLU A 22 2.691 1.806 -4.275 1.00 0.00 C ATOM 275 C GLU A 22 2.475 1.691 -2.768 1.00 0.00 C ATOM 276 O GLU A 22 1.983 0.675 -2.278 1.00 0.00 O ATOM 277 CB GLU A 22 4.112 1.367 -4.632 1.00 0.00 C ATOM 278 CG GLU A 22 4.293 -0.143 -4.656 1.00 0.00 C ATOM 279 CD GLU A 22 5.753 -0.555 -4.662 1.00 0.00 C ATOM 280 OE1 GLU A 22 6.419 -0.392 -3.619 1.00 0.00 O ATOM 281 OE2 GLU A 22 6.228 -1.039 -5.710 1.00 0.00 O ATOM 0 H GLU A 22 3.247 3.599 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 22 1.977 1.152 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.374 1.772 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.808 1.797 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.800 -0.578 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.801 -0.550 -5.539 1.00 0.00 H new ATOM 288 N PHE A 23 2.846 2.739 -2.039 1.00 0.00 N ATOM 289 CA PHE A 23 2.693 2.752 -0.589 1.00 0.00 C ATOM 290 C PHE A 23 1.370 3.394 -0.185 1.00 0.00 C ATOM 291 O PHE A 23 0.750 2.995 0.801 1.00 0.00 O ATOM 292 CB PHE A 23 3.856 3.503 0.061 1.00 0.00 C ATOM 293 CG PHE A 23 5.184 2.822 -0.112 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.306 1.453 0.075 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.310 3.549 -0.461 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.525 0.824 -0.084 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.533 2.925 -0.621 1.00 0.00 C ATOM 298 CZ PHE A 23 7.641 1.561 -0.432 1.00 0.00 C ATOM 0 H PHE A 23 3.254 3.589 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 23 2.695 1.719 -0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.913 4.505 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.653 3.619 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.437 0.872 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.232 4.616 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.606 -0.243 0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.403 3.503 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.596 1.071 -0.556 1.00 0.00 H new ATOM 308 N LEU A 24 0.944 4.391 -0.952 1.00 0.00 N ATOM 309 CA LEU A 24 -0.305 5.090 -0.672 1.00 0.00 C ATOM 310 C LEU A 24 -1.502 4.163 -0.853 1.00 0.00 C ATOM 311 O LEU A 24 -1.515 3.315 -1.746 1.00 0.00 O ATOM 312 CB LEU A 24 -0.447 6.310 -1.586 1.00 0.00 C ATOM 313 CG LEU A 24 0.465 7.487 -1.239 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.489 8.495 -2.377 1.00 0.00 C ATOM 315 CD2 LEU A 24 0.009 8.150 0.053 1.00 0.00 C ATOM 0 H LEU A 24 1.445 4.733 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.281 5.422 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.244 6.002 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.482 6.650 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 24 1.477 7.109 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.143 9.326 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.861 8.014 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.520 8.869 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.669 8.986 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.011 8.515 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.042 7.424 0.866 1.00 0.00 H new ATOM 327 N ASP A 25 -2.506 4.329 0.000 1.00 0.00 N ATOM 328 CA ASP A 25 -3.710 3.509 -0.064 1.00 0.00 C ATOM 329 C ASP A 25 -4.614 3.960 -1.210 1.00 0.00 C ATOM 330 O ASP A 25 -4.753 5.156 -1.465 1.00 0.00 O ATOM 331 CB ASP A 25 -4.471 3.583 1.261 1.00 0.00 C ATOM 332 CG ASP A 25 -5.064 2.247 1.665 1.00 0.00 C ATOM 333 OD1 ASP A 25 -6.219 1.969 1.278 1.00 0.00 O ATOM 334 OD2 ASP A 25 -4.374 1.479 2.368 1.00 0.00 O ATOM 0 H ASP A 25 -2.510 5.025 0.745 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.410 2.477 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.797 3.930 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.269 4.321 1.177 1.00 0.00 H new ATOM 339 N PRO A 26 -5.245 3.007 -1.918 1.00 0.00 N ATOM 340 CA PRO A 26 -6.139 3.322 -3.039 1.00 0.00 C ATOM 341 C PRO A 26 -7.384 4.080 -2.592 1.00 0.00 C ATOM 342 O PRO A 26 -7.975 4.832 -3.365 1.00 0.00 O ATOM 343 CB PRO A 26 -6.522 1.947 -3.595 1.00 0.00 C ATOM 344 CG PRO A 26 -6.299 1.000 -2.466 1.00 0.00 C ATOM 345 CD PRO A 26 -5.142 1.555 -1.686 1.00 0.00 C ATOM 0 HA PRO A 26 -5.657 3.970 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.561 1.930 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.909 1.685 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.189 0.920 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.077 -0.002 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.216 1.310 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.191 1.157 -2.039 1.00 0.00 H new ATOM 353 N ILE A 27 -7.777 3.875 -1.339 1.00 0.00 N ATOM 354 CA ILE A 27 -8.952 4.539 -0.790 1.00 0.00 C ATOM 355 C ILE A 27 -8.557 5.637 0.192 1.00 0.00 C ATOM 356 O ILE A 27 -8.901 6.804 0.005 1.00 0.00 O ATOM 357 CB ILE A 27 -9.881 3.539 -0.075 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.132 2.319 -0.963 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.194 4.208 0.301 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.761 1.155 -0.226 1.00 0.00 C ATOM 0 H ILE A 27 -7.299 3.255 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.484 4.982 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.393 3.204 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.781 2.609 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.186 1.995 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.838 3.488 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.997 5.047 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.689 4.569 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.910 0.325 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.104 0.839 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.722 1.462 0.186 1.00 0.00 H new ATOM 372 N MET A 28 -7.833 5.255 1.238 1.00 0.00 N ATOM 373 CA MET A 28 -7.391 6.207 2.251 1.00 0.00 C ATOM 374 C MET A 28 -6.466 7.260 1.649 1.00 0.00 C ATOM 375 O MET A 28 -6.388 8.385 2.141 1.00 0.00 O ATOM 376 CB MET A 28 -6.677 5.477 3.391 1.00 0.00 C ATOM 377 CG MET A 28 -7.623 4.770 4.346 1.00 0.00 C ATOM 378 SD MET A 28 -8.167 5.832 5.698 1.00 0.00 S ATOM 379 CE MET A 28 -9.468 6.764 4.893 1.00 0.00 C ATOM 0 H MET A 28 -7.540 4.293 1.407 1.00 0.00 H new ATOM 0 HA MET A 28 -8.274 6.711 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.988 4.746 2.968 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.077 6.194 3.951 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.494 4.417 3.794 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.128 3.890 4.757 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.290 6.920 5.592 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.078 7.729 4.570 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.829 6.211 4.026 1.00 0.00 H new ATOM 389 N SER A 29 -5.766 6.889 0.580 1.00 0.00 N ATOM 390 CA SER A 29 -4.848 7.805 -0.086 1.00 0.00 C ATOM 391 C SER A 29 -3.729 8.238 0.857 1.00 0.00 C ATOM 392 O SER A 29 -3.209 9.349 0.750 1.00 0.00 O ATOM 393 CB SER A 29 -5.601 9.034 -0.599 1.00 0.00 C ATOM 394 OG SER A 29 -6.799 8.661 -1.258 1.00 0.00 O ATOM 0 H SER A 29 -5.818 5.962 0.158 1.00 0.00 H new ATOM 0 HA SER A 29 -4.404 7.280 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.832 9.697 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.965 9.594 -1.284 1.00 0.00 H new ATOM 0 HG SER A 29 -7.262 9.465 -1.575 1.00 0.00 H new ATOM 400 N THR A 30 -3.364 7.354 1.780 1.00 0.00 N ATOM 401 CA THR A 30 -2.307 7.647 2.742 1.00 0.00 C ATOM 402 C THR A 30 -1.327 6.482 2.845 1.00 0.00 C ATOM 403 O THR A 30 -1.522 5.437 2.222 1.00 0.00 O ATOM 404 CB THR A 30 -2.907 7.947 4.116 1.00 0.00 C ATOM 405 OG1 THR A 30 -3.479 6.780 4.679 1.00 0.00 O ATOM 406 CG2 THR A 30 -3.980 9.015 4.080 1.00 0.00 C ATOM 0 H THR A 30 -3.784 6.430 1.882 1.00 0.00 H new ATOM 0 HA THR A 30 -1.764 8.525 2.391 1.00 0.00 H new ATOM 0 HB THR A 30 -2.077 8.310 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.856 6.992 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.364 9.179 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.557 9.943 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.793 8.692 3.430 1.00 0.00 H new ATOM 414 N LEU A 31 -0.274 6.669 3.635 1.00 0.00 N ATOM 415 CA LEU A 31 0.735 5.633 3.820 1.00 0.00 C ATOM 416 C LEU A 31 0.114 4.360 4.386 1.00 0.00 C ATOM 417 O LEU A 31 -0.814 4.417 5.193 1.00 0.00 O ATOM 418 CB LEU A 31 1.842 6.132 4.752 1.00 0.00 C ATOM 419 CG LEU A 31 3.186 5.416 4.604 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.822 5.747 3.263 1.00 0.00 C ATOM 421 CD2 LEU A 31 4.118 5.792 5.746 1.00 0.00 C ATOM 0 H LEU A 31 -0.098 7.528 4.157 1.00 0.00 H new ATOM 0 HA LEU A 31 1.165 5.402 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.993 7.197 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.503 6.026 5.783 1.00 0.00 H new ATOM 0 HG LEU A 31 3.010 4.341 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.777 5.229 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.161 5.427 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.985 6.822 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.069 5.274 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.288 6.869 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.666 5.503 6.695 1.00 0.00 H new ATOM 433 N MET A 32 0.631 3.214 3.957 1.00 0.00 N ATOM 434 CA MET A 32 0.127 1.925 4.420 1.00 0.00 C ATOM 435 C MET A 32 1.162 1.214 5.286 1.00 0.00 C ATOM 436 O MET A 32 2.312 1.044 4.883 1.00 0.00 O ATOM 437 CB MET A 32 -0.249 1.044 3.227 1.00 0.00 C ATOM 438 CG MET A 32 -1.426 1.575 2.424 1.00 0.00 C ATOM 439 SD MET A 32 -1.943 0.444 1.118 1.00 0.00 S ATOM 440 CE MET A 32 -0.432 0.312 0.166 1.00 0.00 C ATOM 0 H MET A 32 1.399 3.151 3.289 1.00 0.00 H new ATOM 0 HA MET A 32 -0.762 2.106 5.024 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.615 0.949 2.570 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.487 0.043 3.586 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.266 1.757 3.095 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.156 2.534 1.983 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.500 -0.541 -0.509 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.287 1.223 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.413 0.174 0.841 1.00 0.00 H new ATOM 450 N CYS A 33 0.743 0.798 6.476 1.00 0.00 N ATOM 451 CA CYS A 33 1.632 0.103 7.399 1.00 0.00 C ATOM 452 C CYS A 33 1.470 -1.408 7.272 1.00 0.00 C ATOM 453 O CYS A 33 2.454 -2.140 7.156 1.00 0.00 O ATOM 454 CB CYS A 33 1.351 0.540 8.838 1.00 0.00 C ATOM 455 SG CYS A 33 2.337 1.952 9.387 1.00 0.00 S ATOM 0 H CYS A 33 -0.207 0.930 6.824 1.00 0.00 H new ATOM 0 HA CYS A 33 2.659 0.364 7.143 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.294 0.791 8.930 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.538 -0.302 9.505 1.00 0.00 H new ATOM 0 HG CYS A 33 2.026 2.247 10.614 1.00 0.00 H new ATOM 461 N ASP A 34 0.224 -1.867 7.293 1.00 0.00 N ATOM 462 CA ASP A 34 -0.069 -3.292 7.178 1.00 0.00 C ATOM 463 C ASP A 34 -1.013 -3.559 6.008 1.00 0.00 C ATOM 464 O ASP A 34 -2.194 -3.849 6.205 1.00 0.00 O ATOM 465 CB ASP A 34 -0.684 -3.815 8.478 1.00 0.00 C ATOM 466 CG ASP A 34 0.346 -3.994 9.575 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.635 -3.007 10.284 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.864 -5.121 9.725 1.00 0.00 O ATOM 0 H ASP A 34 -0.600 -1.274 7.389 1.00 0.00 H new ATOM 0 HA ASP A 34 0.868 -3.818 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.454 -3.122 8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.175 -4.769 8.286 1.00 0.00 H new ATOM 473 N PRO A 35 -0.503 -3.463 4.769 1.00 0.00 N ATOM 474 CA PRO A 35 -1.306 -3.695 3.563 1.00 0.00 C ATOM 475 C PRO A 35 -1.697 -5.159 3.399 1.00 0.00 C ATOM 476 O PRO A 35 -0.839 -6.027 3.235 1.00 0.00 O ATOM 477 CB PRO A 35 -0.376 -3.259 2.428 1.00 0.00 C ATOM 478 CG PRO A 35 0.997 -3.429 2.978 1.00 0.00 C ATOM 479 CD PRO A 35 0.895 -3.121 4.446 1.00 0.00 C ATOM 0 HA PRO A 35 -2.250 -3.151 3.592 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.524 -3.870 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.562 -2.224 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.359 -4.444 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.701 -2.757 2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.599 -3.713 5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.111 -2.073 4.653 1.00 0.00 H new ATOM 487 N VAL A 36 -2.998 -5.426 3.442 1.00 0.00 N ATOM 488 CA VAL A 36 -3.504 -6.786 3.296 1.00 0.00 C ATOM 489 C VAL A 36 -3.912 -7.066 1.854 1.00 0.00 C ATOM 490 O VAL A 36 -4.610 -6.267 1.229 1.00 0.00 O ATOM 491 CB VAL A 36 -4.712 -7.039 4.219 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.269 -7.113 5.671 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.765 -5.958 4.028 1.00 0.00 C ATOM 0 H VAL A 36 -3.721 -4.719 3.577 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.694 -7.458 3.580 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.156 -7.998 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.136 -7.292 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.555 -7.928 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.798 -6.172 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.610 -6.153 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.335 -4.985 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.105 -5.960 2.992 1.00 0.00 H new ATOM 503 N VAL A 37 -3.474 -8.207 1.330 1.00 0.00 N ATOM 504 CA VAL A 37 -3.795 -8.592 -0.038 1.00 0.00 C ATOM 505 C VAL A 37 -5.177 -9.229 -0.121 1.00 0.00 C ATOM 506 O VAL A 37 -5.444 -10.243 0.522 1.00 0.00 O ATOM 507 CB VAL A 37 -2.755 -9.578 -0.603 1.00 0.00 C ATOM 508 CG1 VAL A 37 -2.983 -9.800 -2.091 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.344 -9.075 -0.341 1.00 0.00 C ATOM 0 H VAL A 37 -2.896 -8.880 1.833 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.782 -7.679 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.874 -10.535 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.239 -10.499 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.981 -10.210 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.893 -8.850 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.623 -9.785 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.208 -8.106 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.187 -8.974 0.733 1.00 0.00 H new ATOM 519 N LEU A 38 -6.053 -8.626 -0.919 1.00 0.00 N ATOM 520 CA LEU A 38 -7.409 -9.136 -1.089 1.00 0.00 C ATOM 521 C LEU A 38 -7.427 -10.321 -2.055 1.00 0.00 C ATOM 522 O LEU A 38 -6.992 -10.200 -3.199 1.00 0.00 O ATOM 523 CB LEU A 38 -8.331 -8.029 -1.603 1.00 0.00 C ATOM 524 CG LEU A 38 -8.406 -6.785 -0.714 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.938 -5.598 -1.501 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.277 -7.053 0.505 1.00 0.00 C ATOM 0 H LEU A 38 -5.848 -7.784 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.768 -9.476 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.995 -7.728 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.335 -8.437 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.399 -6.545 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.984 -4.723 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.275 -5.392 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.936 -5.827 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.319 -6.158 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.284 -7.318 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.853 -7.875 1.082 1.00 0.00 H new ATOM 538 N PRO A 39 -7.927 -11.487 -1.607 1.00 0.00 N ATOM 539 CA PRO A 39 -7.988 -12.690 -2.447 1.00 0.00 C ATOM 540 C PRO A 39 -9.007 -12.572 -3.578 1.00 0.00 C ATOM 541 O PRO A 39 -9.059 -13.423 -4.466 1.00 0.00 O ATOM 542 CB PRO A 39 -8.409 -13.788 -1.466 1.00 0.00 C ATOM 543 CG PRO A 39 -9.135 -13.068 -0.382 1.00 0.00 C ATOM 544 CD PRO A 39 -8.465 -11.730 -0.255 1.00 0.00 C ATOM 0 HA PRO A 39 -7.037 -12.879 -2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.049 -14.526 -1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.544 -14.323 -1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.191 -12.954 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.084 -13.621 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.170 -10.954 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.674 -11.746 0.495 1.00 0.00 H new ATOM 552 N SER A 40 -9.819 -11.519 -3.543 1.00 0.00 N ATOM 553 CA SER A 40 -10.833 -11.305 -4.570 1.00 0.00 C ATOM 554 C SER A 40 -10.458 -10.140 -5.483 1.00 0.00 C ATOM 555 O SER A 40 -9.973 -10.343 -6.595 1.00 0.00 O ATOM 556 CB SER A 40 -12.196 -11.047 -3.923 1.00 0.00 C ATOM 557 OG SER A 40 -12.934 -12.249 -3.789 1.00 0.00 O ATOM 0 H SER A 40 -9.795 -10.803 -2.817 1.00 0.00 H new ATOM 0 HA SER A 40 -10.891 -12.208 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.056 -10.592 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.760 -10.336 -4.527 1.00 0.00 H new ATOM 0 HG SER A 40 -13.800 -12.057 -3.372 1.00 0.00 H new ATOM 563 N SER A 41 -10.692 -8.921 -5.007 1.00 0.00 N ATOM 564 CA SER A 41 -10.385 -7.724 -5.782 1.00 0.00 C ATOM 565 C SER A 41 -8.902 -7.661 -6.143 1.00 0.00 C ATOM 566 O SER A 41 -8.517 -6.985 -7.097 1.00 0.00 O ATOM 567 CB SER A 41 -10.784 -6.470 -5.003 1.00 0.00 C ATOM 568 OG SER A 41 -9.789 -6.118 -4.058 1.00 0.00 O ATOM 0 H SER A 41 -11.093 -8.736 -4.088 1.00 0.00 H new ATOM 0 HA SER A 41 -10.959 -7.771 -6.707 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.941 -5.643 -5.695 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.731 -6.642 -4.491 1.00 0.00 H new ATOM 0 HG SER A 41 -9.601 -5.158 -4.123 1.00 0.00 H new ATOM 574 N ARG A 42 -8.074 -8.362 -5.375 1.00 0.00 N ATOM 575 CA ARG A 42 -6.636 -8.378 -5.619 1.00 0.00 C ATOM 576 C ARG A 42 -6.047 -6.978 -5.488 1.00 0.00 C ATOM 577 O ARG A 42 -5.069 -6.640 -6.154 1.00 0.00 O ATOM 578 CB ARG A 42 -6.336 -8.943 -7.009 1.00 0.00 C ATOM 579 CG ARG A 42 -6.443 -10.458 -7.086 1.00 0.00 C ATOM 580 CD ARG A 42 -7.463 -10.897 -8.125 1.00 0.00 C ATOM 581 NE ARG A 42 -8.255 -12.034 -7.666 1.00 0.00 N ATOM 582 CZ ARG A 42 -8.936 -12.840 -8.477 1.00 0.00 C ATOM 583 NH1 ARG A 42 -8.927 -12.636 -9.790 1.00 0.00 N ATOM 584 NH2 ARG A 42 -9.629 -13.853 -7.976 1.00 0.00 N ATOM 0 H ARG A 42 -8.374 -8.926 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.174 -9.019 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.026 -8.501 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.331 -8.642 -7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.468 -10.880 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.724 -10.853 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.126 -10.063 -8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.949 -11.162 -9.049 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.288 -12.222 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.396 -11.858 -10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.451 -13.257 -10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.640 -14.015 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.151 -14.471 -8.598 1.00 0.00 H new ATOM 598 N VAL A 43 -6.648 -6.168 -4.621 1.00 0.00 N ATOM 599 CA VAL A 43 -6.182 -4.804 -4.400 1.00 0.00 C ATOM 600 C VAL A 43 -5.631 -4.636 -2.989 1.00 0.00 C ATOM 601 O VAL A 43 -6.387 -4.557 -2.021 1.00 0.00 O ATOM 602 CB VAL A 43 -7.312 -3.782 -4.623 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.765 -2.363 -4.584 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.023 -4.050 -5.941 1.00 0.00 C ATOM 0 H VAL A 43 -7.458 -6.433 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.387 -4.619 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.037 -3.890 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.578 -1.655 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.307 -2.176 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.018 -2.240 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.818 -3.318 -6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.310 -3.972 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.451 -5.052 -5.926 1.00 0.00 H new ATOM 614 N THR A 44 -4.307 -4.582 -2.879 1.00 0.00 N ATOM 615 CA THR A 44 -3.653 -4.423 -1.585 1.00 0.00 C ATOM 616 C THR A 44 -4.108 -3.140 -0.896 1.00 0.00 C ATOM 617 O THR A 44 -3.981 -2.048 -1.451 1.00 0.00 O ATOM 618 CB THR A 44 -2.133 -4.414 -1.755 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.762 -5.012 -2.985 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.403 -5.147 -0.651 1.00 0.00 C ATOM 0 H THR A 44 -3.666 -4.646 -3.670 1.00 0.00 H new ATOM 0 HA THR A 44 -3.936 -5.269 -0.958 1.00 0.00 H new ATOM 0 HB THR A 44 -1.846 -3.363 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.786 -4.995 -3.076 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.329 -5.102 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.629 -4.679 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.725 -6.188 -0.631 1.00 0.00 H new ATOM 628 N VAL A 45 -4.636 -3.280 0.315 1.00 0.00 N ATOM 629 CA VAL A 45 -5.108 -2.132 1.080 1.00 0.00 C ATOM 630 C VAL A 45 -4.822 -2.308 2.566 1.00 0.00 C ATOM 631 O VAL A 45 -4.595 -3.423 3.037 1.00 0.00 O ATOM 632 CB VAL A 45 -6.621 -1.910 0.882 1.00 0.00 C ATOM 633 CG1 VAL A 45 -6.921 -1.530 -0.559 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.400 -3.151 1.289 1.00 0.00 C ATOM 0 H VAL A 45 -4.748 -4.177 0.788 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.568 -1.260 0.710 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.936 -1.086 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.994 -1.377 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.393 -0.610 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.592 -2.330 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.466 -2.976 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.084 -3.996 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.210 -3.372 2.339 1.00 0.00 H new ATOM 644 N ASP A 46 -4.832 -1.201 3.302 1.00 0.00 N ATOM 645 CA ASP A 46 -4.573 -1.234 4.737 1.00 0.00 C ATOM 646 C ASP A 46 -5.579 -2.130 5.453 1.00 0.00 C ATOM 647 O ASP A 46 -6.751 -2.186 5.080 1.00 0.00 O ATOM 648 CB ASP A 46 -4.624 0.182 5.317 1.00 0.00 C ATOM 649 CG ASP A 46 -3.251 0.701 5.694 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.284 0.408 4.961 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.143 1.403 6.722 1.00 0.00 O ATOM 0 H ASP A 46 -5.017 -0.270 2.928 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.576 -1.647 4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.076 0.854 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.266 0.188 6.198 1.00 0.00 H new ATOM 656 N ARG A 47 -5.112 -2.829 6.483 1.00 0.00 N ATOM 657 CA ARG A 47 -5.971 -3.723 7.253 1.00 0.00 C ATOM 658 C ARG A 47 -7.145 -2.962 7.861 1.00 0.00 C ATOM 659 O ARG A 47 -8.227 -3.518 8.049 1.00 0.00 O ATOM 660 CB ARG A 47 -5.166 -4.410 8.357 1.00 0.00 C ATOM 661 CG ARG A 47 -5.573 -5.855 8.599 1.00 0.00 C ATOM 662 CD ARG A 47 -6.508 -5.983 9.792 1.00 0.00 C ATOM 663 NE ARG A 47 -5.928 -6.798 10.856 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.774 -8.119 10.779 1.00 0.00 C ATOM 665 NH1 ARG A 47 -6.155 -8.776 9.691 1.00 0.00 N ATOM 666 NH2 ARG A 47 -5.239 -8.783 11.794 1.00 0.00 N ATOM 0 H ARG A 47 -4.144 -2.794 6.804 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.366 -4.480 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.108 -4.378 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.283 -3.848 9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.063 -6.249 7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.683 -6.461 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.739 -4.991 10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.450 -6.426 9.469 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.623 -6.328 11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.568 -8.270 8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.035 -9.787 9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.946 -8.282 12.633 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.121 -9.794 11.736 1.00 0.00 H new ATOM 680 N SER A 48 -6.923 -1.688 8.167 1.00 0.00 N ATOM 681 CA SER A 48 -7.963 -0.850 8.754 1.00 0.00 C ATOM 682 C SER A 48 -8.895 -0.308 7.676 1.00 0.00 C ATOM 683 O SER A 48 -10.085 -0.099 7.918 1.00 0.00 O ATOM 684 CB SER A 48 -7.333 0.305 9.537 1.00 0.00 C ATOM 685 OG SER A 48 -7.642 0.214 10.917 1.00 0.00 O ATOM 0 H SER A 48 -6.033 -1.213 8.018 1.00 0.00 H new ATOM 0 HA SER A 48 -8.550 -1.463 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.251 0.293 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.693 1.255 9.142 1.00 0.00 H new ATOM 0 HG SER A 48 -7.227 0.962 11.395 1.00 0.00 H new ATOM 691 N THR A 49 -8.349 -0.080 6.487 1.00 0.00 N ATOM 692 CA THR A 49 -9.132 0.438 5.371 1.00 0.00 C ATOM 693 C THR A 49 -10.162 -0.587 4.908 1.00 0.00 C ATOM 694 O THR A 49 -11.267 -0.231 4.498 1.00 0.00 O ATOM 695 CB THR A 49 -8.215 0.819 4.208 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.172 1.670 4.650 1.00 0.00 O ATOM 697 CG2 THR A 49 -8.938 1.525 3.082 1.00 0.00 C ATOM 0 H THR A 49 -7.366 -0.246 6.271 1.00 0.00 H new ATOM 0 HA THR A 49 -9.660 1.328 5.713 1.00 0.00 H new ATOM 0 HB THR A 49 -7.821 -0.124 3.830 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.702 2.041 3.874 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.229 1.767 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.717 0.874 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.389 2.443 3.458 1.00 0.00 H new ATOM 705 N ILE A 50 -9.791 -1.861 4.977 1.00 0.00 N ATOM 706 CA ILE A 50 -10.682 -2.939 4.565 1.00 0.00 C ATOM 707 C ILE A 50 -11.601 -3.357 5.709 1.00 0.00 C ATOM 708 O ILE A 50 -12.743 -3.759 5.485 1.00 0.00 O ATOM 709 CB ILE A 50 -9.888 -4.167 4.075 1.00 0.00 C ATOM 710 CG1 ILE A 50 -10.838 -5.241 3.541 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.023 -4.727 5.196 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.576 -4.825 2.287 1.00 0.00 C ATOM 0 H ILE A 50 -8.880 -2.172 5.314 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.286 -2.558 3.741 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.234 -3.852 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.269 -6.148 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.564 -5.490 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.470 -5.593 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.321 -3.963 5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.657 -5.027 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.231 -5.634 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.172 -3.936 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.857 -4.604 1.498 1.00 0.00 H new ATOM 724 N ALA A 51 -11.095 -3.258 6.934 1.00 0.00 N ATOM 725 CA ALA A 51 -11.871 -3.625 8.113 1.00 0.00 C ATOM 726 C ALA A 51 -13.141 -2.786 8.216 1.00 0.00 C ATOM 727 O ALA A 51 -14.207 -3.296 8.558 1.00 0.00 O ATOM 728 CB ALA A 51 -11.028 -3.466 9.369 1.00 0.00 C ATOM 0 H ALA A 51 -10.152 -2.927 7.136 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.164 -4.670 8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.619 -3.743 10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.153 -4.112 9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.707 -2.429 9.463 1.00 0.00 H new ATOM 734 N ARG A 52 -13.018 -1.497 7.915 1.00 0.00 N ATOM 735 CA ARG A 52 -14.157 -0.588 7.972 1.00 0.00 C ATOM 736 C ARG A 52 -15.223 -0.991 6.959 1.00 0.00 C ATOM 737 O ARG A 52 -16.419 -0.863 7.218 1.00 0.00 O ATOM 738 CB ARG A 52 -13.702 0.848 7.710 1.00 0.00 C ATOM 739 CG ARG A 52 -14.762 1.890 8.030 1.00 0.00 C ATOM 740 CD ARG A 52 -14.139 3.217 8.435 1.00 0.00 C ATOM 741 NE ARG A 52 -14.655 3.694 9.716 1.00 0.00 N ATOM 742 CZ ARG A 52 -14.258 3.225 10.897 1.00 0.00 C ATOM 743 NH1 ARG A 52 -13.343 2.266 10.964 1.00 0.00 N ATOM 744 NH2 ARG A 52 -14.779 3.714 12.014 1.00 0.00 N ATOM 0 H ARG A 52 -12.142 -1.059 7.630 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.590 -0.647 8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.812 1.053 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.414 0.944 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.402 2.038 7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.399 1.526 8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.057 3.105 8.499 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.338 3.961 7.664 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.361 4.430 9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.940 1.885 10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.042 1.910 11.872 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.484 4.450 11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.475 3.354 12.919 1.00 0.00 H new ATOM 758 N HIS A 53 -14.780 -1.480 5.805 1.00 0.00 N ATOM 759 CA HIS A 53 -15.695 -1.903 4.752 1.00 0.00 C ATOM 760 C HIS A 53 -16.293 -3.272 5.064 1.00 0.00 C ATOM 761 O HIS A 53 -17.365 -3.618 4.566 1.00 0.00 O ATOM 762 CB HIS A 53 -14.970 -1.947 3.406 1.00 0.00 C ATOM 763 CG HIS A 53 -15.895 -1.991 2.230 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.812 -1.005 1.937 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.034 -2.931 1.261 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.465 -1.370 0.825 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.031 -2.530 0.375 1.00 0.00 N ATOM 0 H HIS A 53 -13.793 -1.593 5.576 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.506 -1.177 4.699 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.327 -1.071 3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.321 -2.822 3.380 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.966 -0.150 2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.463 -3.845 1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.246 -0.788 0.358 1.00 0.00 H new ATOM 775 N LEU A 54 -15.597 -4.047 5.891 1.00 0.00 N ATOM 776 CA LEU A 54 -16.065 -5.377 6.266 1.00 0.00 C ATOM 777 C LEU A 54 -16.796 -5.342 7.605 1.00 0.00 C ATOM 778 O LEU A 54 -16.748 -6.302 8.373 1.00 0.00 O ATOM 779 CB LEU A 54 -14.887 -6.351 6.340 1.00 0.00 C ATOM 780 CG LEU A 54 -14.139 -6.564 5.024 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.011 -7.568 5.208 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.096 -7.027 3.936 1.00 0.00 C ATOM 0 H LEU A 54 -14.709 -3.777 6.313 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.764 -5.718 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.181 -5.987 7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.254 -7.315 6.692 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.704 -5.613 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.490 -7.707 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.311 -7.196 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.423 -8.521 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.546 -7.174 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.560 -7.967 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.868 -6.273 3.786 1.00 0.00 H new ATOM 794 N LEU A 55 -17.472 -4.230 7.877 1.00 0.00 N ATOM 795 CA LEU A 55 -18.213 -4.073 9.123 1.00 0.00 C ATOM 796 C LEU A 55 -19.655 -4.545 8.959 1.00 0.00 C ATOM 797 O LEU A 55 -20.079 -5.511 9.593 1.00 0.00 O ATOM 798 CB LEU A 55 -18.192 -2.612 9.573 1.00 0.00 C ATOM 799 CG LEU A 55 -16.827 -2.095 10.031 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.866 -0.589 10.238 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.392 -2.799 11.307 1.00 0.00 C ATOM 0 H LEU A 55 -17.522 -3.425 7.252 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.731 -4.687 9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.542 -1.989 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.903 -2.489 10.390 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.098 -2.314 9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.886 -0.241 10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.132 -0.100 9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.608 -0.345 10.998 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.419 -2.419 11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.123 -2.612 12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.321 -3.871 11.125 1.00 0.00 H new ATOM 813 N SER A 56 -20.403 -3.856 8.103 1.00 0.00 N ATOM 814 CA SER A 56 -21.797 -4.205 7.855 1.00 0.00 C ATOM 815 C SER A 56 -21.923 -5.088 6.618 1.00 0.00 C ATOM 816 O SER A 56 -22.774 -5.977 6.561 1.00 0.00 O ATOM 817 CB SER A 56 -22.639 -2.939 7.679 1.00 0.00 C ATOM 818 OG SER A 56 -22.787 -2.250 8.909 1.00 0.00 O ATOM 0 H SER A 56 -20.067 -3.054 7.570 1.00 0.00 H new ATOM 0 HA SER A 56 -22.166 -4.761 8.717 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.168 -2.284 6.946 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.621 -3.203 7.286 1.00 0.00 H new ATOM 0 HG SER A 56 -23.327 -1.444 8.770 1.00 0.00 H new ATOM 824 N ASP A 57 -21.071 -4.840 5.629 1.00 0.00 N ATOM 825 CA ASP A 57 -21.086 -5.612 4.392 1.00 0.00 C ATOM 826 C ASP A 57 -19.753 -6.323 4.180 1.00 0.00 C ATOM 827 O ASP A 57 -18.814 -5.751 3.626 1.00 0.00 O ATOM 828 CB ASP A 57 -21.386 -4.702 3.200 1.00 0.00 C ATOM 829 CG ASP A 57 -22.582 -3.802 3.447 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.701 -4.332 3.606 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.398 -2.567 3.481 1.00 0.00 O ATOM 0 H ASP A 57 -20.360 -4.109 5.660 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.871 -6.364 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.511 -4.088 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.571 -5.313 2.317 1.00 0.00 H new ATOM 836 N GLN A 58 -19.678 -7.573 4.624 1.00 0.00 N ATOM 837 CA GLN A 58 -18.460 -8.363 4.482 1.00 0.00 C ATOM 838 C GLN A 58 -18.170 -8.655 3.014 1.00 0.00 C ATOM 839 O GLN A 58 -18.415 -9.761 2.530 1.00 0.00 O ATOM 840 CB GLN A 58 -18.583 -9.673 5.263 1.00 0.00 C ATOM 841 CG GLN A 58 -17.976 -9.609 6.656 1.00 0.00 C ATOM 842 CD GLN A 58 -18.976 -9.945 7.746 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.640 -10.982 7.697 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.089 -9.069 8.736 1.00 0.00 N ATOM 0 H GLN A 58 -20.446 -8.061 5.085 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.631 -7.784 4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.637 -9.939 5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.097 -10.469 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.136 -10.301 6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.578 -8.609 6.829 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -18.519 -8.223 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -19.746 -9.241 9.497 1.00 0.00 H new ATOM 853 N THR A 59 -17.646 -7.658 2.309 1.00 0.00 N ATOM 854 CA THR A 59 -17.322 -7.808 0.894 1.00 0.00 C ATOM 855 C THR A 59 -16.197 -6.860 0.491 1.00 0.00 C ATOM 856 O THR A 59 -15.719 -6.068 1.302 1.00 0.00 O ATOM 857 CB THR A 59 -18.559 -7.543 0.036 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.296 -6.446 0.543 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.496 -8.729 -0.045 1.00 0.00 C ATOM 0 H THR A 59 -17.436 -6.737 2.694 1.00 0.00 H new ATOM 0 HA THR A 59 -16.987 -8.832 0.730 1.00 0.00 H new ATOM 0 HB THR A 59 -18.178 -7.333 -0.963 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.083 -6.292 -0.021 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.353 -8.474 -0.669 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.970 -9.579 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.840 -8.990 0.956 1.00 0.00 H new ATOM 867 N ASP A 60 -15.777 -6.949 -0.767 1.00 0.00 N ATOM 868 CA ASP A 60 -14.708 -6.099 -1.277 1.00 0.00 C ATOM 869 C ASP A 60 -15.265 -4.766 -1.775 1.00 0.00 C ATOM 870 O ASP A 60 -16.334 -4.721 -2.382 1.00 0.00 O ATOM 871 CB ASP A 60 -13.959 -6.810 -2.406 1.00 0.00 C ATOM 872 CG ASP A 60 -12.627 -7.373 -1.952 1.00 0.00 C ATOM 873 OD1 ASP A 60 -11.992 -6.757 -1.070 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.218 -8.429 -2.478 1.00 0.00 O ATOM 0 H ASP A 60 -16.161 -7.601 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.013 -5.899 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.578 -7.618 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.794 -6.111 -3.226 1.00 0.00 H new ATOM 879 N PRO A 61 -14.544 -3.658 -1.525 1.00 0.00 N ATOM 880 CA PRO A 61 -14.975 -2.324 -1.953 1.00 0.00 C ATOM 881 C PRO A 61 -14.777 -2.092 -3.449 1.00 0.00 C ATOM 882 O PRO A 61 -15.168 -1.052 -3.980 1.00 0.00 O ATOM 883 CB PRO A 61 -14.076 -1.393 -1.144 1.00 0.00 C ATOM 884 CG PRO A 61 -12.829 -2.177 -0.921 1.00 0.00 C ATOM 885 CD PRO A 61 -13.255 -3.618 -0.806 1.00 0.00 C ATOM 0 HA PRO A 61 -16.041 -2.168 -1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.872 -0.469 -1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.543 -1.113 -0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.131 -2.042 -1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.319 -1.848 -0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.524 -4.289 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.367 -3.921 0.235 1.00 0.00 H new ATOM 893 N PHE A 62 -14.166 -3.062 -4.127 1.00 0.00 N ATOM 894 CA PHE A 62 -13.920 -2.951 -5.560 1.00 0.00 C ATOM 895 C PHE A 62 -14.635 -4.059 -6.326 1.00 0.00 C ATOM 896 O PHE A 62 -15.342 -3.798 -7.299 1.00 0.00 O ATOM 897 CB PHE A 62 -12.418 -3.009 -5.846 1.00 0.00 C ATOM 898 CG PHE A 62 -11.595 -2.156 -4.923 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.609 -0.776 -5.040 1.00 0.00 C ATOM 900 CD2 PHE A 62 -10.810 -2.735 -3.940 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.853 0.012 -4.191 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.052 -1.954 -3.089 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.073 -0.577 -3.215 1.00 0.00 C ATOM 0 H PHE A 62 -13.834 -3.930 -3.707 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.313 -1.991 -5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.082 -4.043 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.240 -2.693 -6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.216 -0.310 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.790 -3.810 -3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.873 1.087 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.444 -2.418 -2.327 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.481 0.036 -2.552 1.00 0.00 H new ATOM 913 N ASN A 63 -14.445 -5.298 -5.882 1.00 0.00 N ATOM 914 CA ASN A 63 -15.069 -6.446 -6.529 1.00 0.00 C ATOM 915 C ASN A 63 -16.485 -6.672 -6.002 1.00 0.00 C ATOM 916 O ASN A 63 -17.339 -7.211 -6.706 1.00 0.00 O ATOM 917 CB ASN A 63 -14.224 -7.703 -6.310 1.00 0.00 C ATOM 918 CG ASN A 63 -13.984 -8.469 -7.595 1.00 0.00 C ATOM 919 OD1 ASN A 63 -13.832 -7.878 -8.665 1.00 0.00 O ATOM 920 ND2 ASN A 63 -13.951 -9.793 -7.499 1.00 0.00 N ATOM 0 H ASN A 63 -13.864 -5.532 -5.077 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.130 -6.237 -7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.266 -7.422 -5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.723 -8.352 -5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.795 -10.361 -8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.082 -10.242 -6.593 1.00 0.00 H new ATOM 927 N ARG A 64 -16.727 -6.259 -4.762 1.00 0.00 N ATOM 928 CA ARG A 64 -18.039 -6.419 -4.146 1.00 0.00 C ATOM 929 C ARG A 64 -18.387 -7.896 -3.985 1.00 0.00 C ATOM 930 O ARG A 64 -19.555 -8.280 -4.045 1.00 0.00 O ATOM 931 CB ARG A 64 -19.111 -5.716 -4.984 1.00 0.00 C ATOM 932 CG ARG A 64 -20.126 -4.947 -4.154 1.00 0.00 C ATOM 933 CD ARG A 64 -20.635 -3.721 -4.894 1.00 0.00 C ATOM 934 NE ARG A 64 -21.745 -3.080 -4.193 1.00 0.00 N ATOM 935 CZ ARG A 64 -21.595 -2.301 -3.125 1.00 0.00 C ATOM 936 NH1 ARG A 64 -20.386 -2.063 -2.631 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.658 -1.756 -2.547 1.00 0.00 N ATOM 0 H ARG A 64 -16.032 -5.811 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.007 -5.962 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.626 -5.029 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.635 -6.459 -5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -20.964 -5.598 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -19.671 -4.642 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -19.821 -3.006 -5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.956 -4.009 -5.895 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.690 -3.239 -4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.565 -2.478 -3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.278 -1.465 -1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -23.590 -1.934 -2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.543 -1.159 -1.728 1.00 0.00 H new ATOM 951 N SER A 65 -17.364 -8.718 -3.779 1.00 0.00 N ATOM 952 CA SER A 65 -17.557 -10.154 -3.608 1.00 0.00 C ATOM 953 C SER A 65 -17.461 -10.541 -2.134 1.00 0.00 C ATOM 954 O SER A 65 -17.007 -9.752 -1.305 1.00 0.00 O ATOM 955 CB SER A 65 -16.518 -10.927 -4.423 1.00 0.00 C ATOM 956 OG SER A 65 -17.098 -11.491 -5.586 1.00 0.00 O ATOM 0 H SER A 65 -16.392 -8.415 -3.726 1.00 0.00 H new ATOM 0 HA SER A 65 -18.553 -10.411 -3.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.704 -10.260 -4.706 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.084 -11.717 -3.810 1.00 0.00 H new ATOM 0 HG SER A 65 -16.413 -11.978 -6.090 1.00 0.00 H new ATOM 962 N PRO A 66 -17.888 -11.767 -1.785 1.00 0.00 N ATOM 963 CA PRO A 66 -17.844 -12.253 -0.401 1.00 0.00 C ATOM 964 C PRO A 66 -16.423 -12.292 0.150 1.00 0.00 C ATOM 965 O PRO A 66 -15.619 -13.138 -0.238 1.00 0.00 O ATOM 966 CB PRO A 66 -18.425 -13.670 -0.490 1.00 0.00 C ATOM 967 CG PRO A 66 -18.306 -14.051 -1.925 1.00 0.00 C ATOM 968 CD PRO A 66 -18.441 -12.776 -2.704 1.00 0.00 C ATOM 0 HA PRO A 66 -18.397 -11.600 0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.875 -14.362 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.464 -13.691 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.347 -14.530 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.082 -14.763 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.886 -12.815 -3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.480 -12.565 -2.957 1.00 0.00 H new ATOM 976 N LEU A 67 -16.123 -11.370 1.059 1.00 0.00 N ATOM 977 CA LEU A 67 -14.799 -11.297 1.665 1.00 0.00 C ATOM 978 C LEU A 67 -14.902 -11.110 3.174 1.00 0.00 C ATOM 979 O LEU A 67 -15.859 -10.517 3.672 1.00 0.00 O ATOM 980 CB LEU A 67 -13.997 -10.148 1.049 1.00 0.00 C ATOM 981 CG LEU A 67 -12.562 -10.013 1.560 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.656 -11.032 0.886 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.044 -8.601 1.327 1.00 0.00 C ATOM 0 H LEU A 67 -16.779 -10.663 1.392 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.283 -12.237 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.970 -10.283 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.524 -9.213 1.241 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.559 -10.208 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.639 -10.920 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.015 -12.038 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.664 -10.869 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.022 -8.523 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.062 -8.378 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.677 -7.889 1.857 1.00 0.00 H new ATOM 995 N THR A 68 -13.911 -11.619 3.898 1.00 0.00 N ATOM 996 CA THR A 68 -13.891 -11.508 5.351 1.00 0.00 C ATOM 997 C THR A 68 -12.527 -11.032 5.843 1.00 0.00 C ATOM 998 O THR A 68 -11.624 -10.777 5.047 1.00 0.00 O ATOM 999 CB THR A 68 -14.234 -12.854 5.989 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.198 -13.794 5.767 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.519 -13.455 5.461 1.00 0.00 C ATOM 0 H THR A 68 -13.111 -12.113 3.502 1.00 0.00 H new ATOM 0 HA THR A 68 -14.639 -10.772 5.645 1.00 0.00 H new ATOM 0 HB THR A 68 -14.357 -12.647 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.436 -14.648 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.704 -14.409 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.348 -12.776 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.432 -13.614 4.386 1.00 0.00 H new ATOM 1009 N MET A 69 -12.386 -10.918 7.159 1.00 0.00 N ATOM 1010 CA MET A 69 -11.133 -10.473 7.757 1.00 0.00 C ATOM 1011 C MET A 69 -10.115 -11.609 7.799 1.00 0.00 C ATOM 1012 O MET A 69 -8.908 -11.375 7.757 1.00 0.00 O ATOM 1013 CB MET A 69 -11.379 -9.941 9.171 1.00 0.00 C ATOM 1014 CG MET A 69 -10.532 -8.728 9.520 1.00 0.00 C ATOM 1015 SD MET A 69 -11.305 -7.175 9.028 1.00 0.00 S ATOM 1016 CE MET A 69 -10.018 -6.465 8.004 1.00 0.00 C ATOM 0 H MET A 69 -13.124 -11.128 7.832 1.00 0.00 H new ATOM 0 HA MET A 69 -10.730 -9.671 7.139 1.00 0.00 H new ATOM 0 HB2 MET A 69 -12.432 -9.680 9.274 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.175 -10.735 9.890 1.00 0.00 H new ATOM 0 HG2 MET A 69 -10.350 -8.714 10.595 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.561 -8.816 9.033 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.464 -5.784 7.279 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.314 -5.918 8.631 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.492 -7.261 7.477 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.612 -12.839 7.882 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.745 -14.012 7.930 1.00 0.00 C ATOM 1028 C ASP A 70 -9.151 -14.306 6.556 1.00 0.00 C ATOM 1029 O ASP A 70 -8.003 -14.736 6.444 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.525 -15.228 8.433 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.364 -15.441 9.925 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -11.035 -14.729 10.702 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -9.566 -16.319 10.316 1.00 0.00 O ATOM 0 H ASP A 70 -11.609 -13.050 7.917 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.929 -13.802 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.582 -15.101 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.186 -16.118 7.903 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.940 -14.073 5.512 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.493 -14.315 4.146 1.00 0.00 C ATOM 1040 C GLN A 71 -8.312 -13.417 3.791 1.00 0.00 C ATOM 1041 O GLN A 71 -7.252 -13.897 3.391 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.641 -14.081 3.162 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.526 -15.301 2.961 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.160 -15.341 1.584 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -12.676 -14.203 1.137 1.00 0.00 O flip ATOM 1046 NE2 GLN A 71 -12.184 -16.383 0.930 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.893 -13.717 5.587 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.169 -15.353 4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.253 -13.253 3.520 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.228 -13.779 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.934 -16.204 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.310 -15.305 3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.775 -17.235 1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.613 -16.395 0.005 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.503 -12.109 3.940 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.452 -11.144 3.635 1.00 0.00 C ATOM 1057 C ILE A 72 -6.201 -11.412 4.463 1.00 0.00 C ATOM 1058 O ILE A 72 -6.273 -11.580 5.681 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.923 -9.699 3.892 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.496 -9.568 5.305 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.956 -9.287 2.853 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.550 -8.906 6.282 1.00 0.00 C ATOM 0 H ILE A 72 -9.374 -11.694 4.270 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.216 -11.259 2.577 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.065 -9.032 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.421 -8.993 5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.754 -10.560 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.279 -8.264 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.515 -9.345 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.815 -9.956 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.022 -8.847 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.634 -9.492 6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.311 -7.901 5.933 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.053 -11.454 3.794 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.783 -11.702 4.468 1.00 0.00 C ATOM 1076 C ARG A 73 -2.838 -10.513 4.310 1.00 0.00 C ATOM 1077 O ARG A 73 -2.942 -9.752 3.348 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.126 -12.967 3.911 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.696 -14.253 4.490 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.663 -14.997 5.323 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.970 -16.421 5.431 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.268 -17.278 6.170 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -1.220 -16.858 6.868 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -2.616 -18.557 6.212 1.00 0.00 N ATOM 0 H ARG A 73 -4.976 -11.320 2.786 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.986 -11.841 5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.245 -12.982 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.056 -12.930 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.564 -14.022 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.043 -14.895 3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.677 -14.872 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.618 -14.559 6.320 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.770 -16.780 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.949 -15.875 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.685 -17.518 7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.421 -18.884 5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.078 -19.213 6.778 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.901 -10.337 5.258 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.936 -9.234 5.218 1.00 0.00 C ATOM 1100 C PRO A 74 0.111 -9.418 4.126 1.00 0.00 C ATOM 1101 O PRO A 74 0.796 -10.439 4.076 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.282 -9.288 6.599 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.413 -10.709 7.023 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.710 -11.200 6.439 1.00 0.00 C ATOM 0 HA PRO A 74 -1.415 -8.281 4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.763 -8.983 6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.780 -8.618 7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.427 -11.303 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.418 -10.793 8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.653 -12.253 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.533 -11.100 7.147 1.00 0.00 H new ATOM 1112 N ASN A 75 0.229 -8.424 3.253 1.00 0.00 N ATOM 1113 CA ASN A 75 1.195 -8.476 2.161 1.00 0.00 C ATOM 1114 C ASN A 75 2.614 -8.274 2.678 1.00 0.00 C ATOM 1115 O ASN A 75 3.078 -7.143 2.823 1.00 0.00 O ATOM 1116 CB ASN A 75 0.866 -7.412 1.112 1.00 0.00 C ATOM 1117 CG ASN A 75 1.426 -7.754 -0.254 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.352 -6.803 -1.179 1.00 0.00 O flip ATOM 1119 ND2 ASN A 75 1.921 -8.858 -0.477 1.00 0.00 N flip ATOM 0 H ASN A 75 -0.332 -7.572 3.280 1.00 0.00 H new ATOM 0 HA ASN A 75 1.133 -9.463 1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.216 -7.299 1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.266 -6.451 1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.957 -9.559 0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.295 -9.072 -1.402 1.00 0.00 H new ATOM 1126 N THR A 76 3.300 -9.377 2.959 1.00 0.00 N ATOM 1127 CA THR A 76 4.668 -9.322 3.461 1.00 0.00 C ATOM 1128 C THR A 76 5.606 -8.716 2.423 1.00 0.00 C ATOM 1129 O THR A 76 6.580 -8.049 2.766 1.00 0.00 O ATOM 1130 CB THR A 76 5.149 -10.721 3.846 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.050 -11.573 4.118 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.049 -10.731 5.062 1.00 0.00 C ATOM 0 H THR A 76 2.930 -10.321 2.847 1.00 0.00 H new ATOM 0 HA THR A 76 4.677 -8.686 4.346 1.00 0.00 H new ATOM 0 HB THR A 76 5.720 -11.075 2.988 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.379 -12.464 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.354 -11.754 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.932 -10.123 4.866 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.510 -10.323 5.917 1.00 0.00 H new ATOM 1140 N GLU A 77 5.304 -8.953 1.149 1.00 0.00 N ATOM 1141 CA GLU A 77 6.121 -8.431 0.061 1.00 0.00 C ATOM 1142 C GLU A 77 6.066 -6.908 0.021 1.00 0.00 C ATOM 1143 O GLU A 77 7.044 -6.250 -0.331 1.00 0.00 O ATOM 1144 CB GLU A 77 5.654 -9.006 -1.278 1.00 0.00 C ATOM 1145 CG GLU A 77 6.358 -10.297 -1.665 1.00 0.00 C ATOM 1146 CD GLU A 77 6.768 -10.321 -3.125 1.00 0.00 C ATOM 1147 OE1 GLU A 77 6.078 -9.681 -3.946 1.00 0.00 O ATOM 1148 OE2 GLU A 77 7.778 -10.981 -3.447 1.00 0.00 O ATOM 0 H GLU A 77 4.500 -9.503 0.847 1.00 0.00 H new ATOM 0 HA GLU A 77 7.153 -8.734 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.580 -9.187 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.818 -8.264 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.242 -10.426 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.699 -11.141 -1.462 1.00 0.00 H new ATOM 1155 N LEU A 78 4.914 -6.354 0.383 1.00 0.00 N ATOM 1156 CA LEU A 78 4.729 -4.907 0.389 1.00 0.00 C ATOM 1157 C LEU A 78 5.121 -4.314 1.738 1.00 0.00 C ATOM 1158 O LEU A 78 5.715 -3.238 1.805 1.00 0.00 O ATOM 1159 CB LEU A 78 3.274 -4.557 0.069 1.00 0.00 C ATOM 1160 CG LEU A 78 3.018 -3.081 -0.241 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.846 -2.634 -1.435 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.538 -2.841 -0.496 1.00 0.00 C ATOM 0 H LEU A 78 4.094 -6.885 0.676 1.00 0.00 H new ATOM 0 HA LEU A 78 5.376 -4.480 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.952 -5.153 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.651 -4.849 0.915 1.00 0.00 H new ATOM 0 HG LEU A 78 3.319 -2.490 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.650 -1.582 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.905 -2.770 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.577 -3.230 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.373 -1.786 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.213 -3.443 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.966 -3.122 0.388 1.00 0.00 H new ATOM 1174 N LYS A 79 4.785 -5.023 2.811 1.00 0.00 N ATOM 1175 CA LYS A 79 5.103 -4.567 4.160 1.00 0.00 C ATOM 1176 C LYS A 79 6.604 -4.352 4.325 1.00 0.00 C ATOM 1177 O LYS A 79 7.037 -3.440 5.028 1.00 0.00 O ATOM 1178 CB LYS A 79 4.604 -5.579 5.194 1.00 0.00 C ATOM 1179 CG LYS A 79 4.433 -4.991 6.586 1.00 0.00 C ATOM 1180 CD LYS A 79 5.051 -5.886 7.650 1.00 0.00 C ATOM 1181 CE LYS A 79 4.548 -5.528 9.038 1.00 0.00 C ATOM 1182 NZ LYS A 79 3.397 -6.379 9.449 1.00 0.00 N ATOM 0 H LYS A 79 4.293 -5.915 2.773 1.00 0.00 H new ATOM 0 HA LYS A 79 4.599 -3.614 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.649 -5.986 4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.306 -6.412 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.896 -4.005 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.372 -4.854 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.814 -6.928 7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.137 -5.793 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.358 -5.641 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.249 -4.480 9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.537 -5.797 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.260 -7.138 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.590 -6.797 10.382 1.00 0.00 H new ATOM 1196 N GLU A 80 7.393 -5.199 3.670 1.00 0.00 N ATOM 1197 CA GLU A 80 8.845 -5.101 3.744 1.00 0.00 C ATOM 1198 C GLU A 80 9.350 -3.910 2.933 1.00 0.00 C ATOM 1199 O GLU A 80 10.359 -3.295 3.277 1.00 0.00 O ATOM 1200 CB GLU A 80 9.491 -6.390 3.233 1.00 0.00 C ATOM 1201 CG GLU A 80 9.382 -7.552 4.209 1.00 0.00 C ATOM 1202 CD GLU A 80 10.475 -8.583 4.010 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.643 -8.183 3.828 1.00 0.00 O ATOM 1204 OE2 GLU A 80 10.162 -9.793 4.038 1.00 0.00 O ATOM 0 H GLU A 80 7.051 -5.960 3.083 1.00 0.00 H new ATOM 0 HA GLU A 80 9.122 -4.953 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.023 -6.673 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.543 -6.201 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.428 -7.171 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.410 -8.031 4.091 1.00 0.00 H new ATOM 1211 N LYS A 81 8.640 -3.591 1.857 1.00 0.00 N ATOM 1212 CA LYS A 81 9.014 -2.474 0.997 1.00 0.00 C ATOM 1213 C LYS A 81 8.795 -1.143 1.708 1.00 0.00 C ATOM 1214 O LYS A 81 9.592 -0.216 1.570 1.00 0.00 O ATOM 1215 CB LYS A 81 8.207 -2.510 -0.303 1.00 0.00 C ATOM 1216 CG LYS A 81 8.871 -3.312 -1.409 1.00 0.00 C ATOM 1217 CD LYS A 81 7.924 -3.543 -2.576 1.00 0.00 C ATOM 1218 CE LYS A 81 8.680 -3.702 -3.886 1.00 0.00 C ATOM 1219 NZ LYS A 81 8.657 -2.452 -4.695 1.00 0.00 N ATOM 0 H LYS A 81 7.802 -4.090 1.559 1.00 0.00 H new ATOM 0 HA LYS A 81 10.074 -2.569 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.224 -2.934 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.048 -1.489 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.759 -2.786 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.204 -4.272 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.326 -4.435 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.231 -2.705 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.713 -3.981 -3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.240 -4.516 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.330 -2.536 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.700 -2.300 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.925 -1.646 -4.096 1.00 0.00 H new ATOM 1233 N ILE A 82 7.708 -1.056 2.469 1.00 0.00 N ATOM 1234 CA ILE A 82 7.385 0.161 3.202 1.00 0.00 C ATOM 1235 C ILE A 82 8.401 0.420 4.310 1.00 0.00 C ATOM 1236 O ILE A 82 8.839 1.553 4.513 1.00 0.00 O ATOM 1237 CB ILE A 82 5.974 0.090 3.819 1.00 0.00 C ATOM 1238 CG1 ILE A 82 4.947 -0.313 2.758 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.599 1.427 4.443 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.808 -1.145 3.306 1.00 0.00 C ATOM 0 H ILE A 82 7.037 -1.814 2.593 1.00 0.00 H new ATOM 0 HA ILE A 82 7.417 0.980 2.484 1.00 0.00 H new ATOM 0 HB ILE A 82 5.976 -0.668 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.540 0.587 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.451 -0.874 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.600 1.360 4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.316 1.677 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.612 2.202 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.119 -1.394 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.204 -2.062 3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.280 -0.578 4.073 1.00 0.00 H new ATOM 1252 N GLN A 83 8.772 -0.638 5.024 1.00 0.00 N ATOM 1253 CA GLN A 83 9.738 -0.524 6.111 1.00 0.00 C ATOM 1254 C GLN A 83 11.078 -0.010 5.595 1.00 0.00 C ATOM 1255 O GLN A 83 11.804 0.685 6.306 1.00 0.00 O ATOM 1256 CB GLN A 83 9.927 -1.877 6.798 1.00 0.00 C ATOM 1257 CG GLN A 83 8.629 -2.500 7.284 1.00 0.00 C ATOM 1258 CD GLN A 83 8.337 -2.179 8.737 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.251 -2.004 9.542 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.057 -2.100 9.080 1.00 0.00 N ATOM 0 H GLN A 83 8.419 -1.583 4.870 1.00 0.00 H new ATOM 0 HA GLN A 83 9.349 0.191 6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.412 -2.563 6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.601 -1.753 7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.805 -2.145 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.680 -3.581 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.331 -2.252 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.799 -1.887 10.044 1.00 0.00 H new ATOM 1269 N ARG A 84 11.399 -0.357 4.353 1.00 0.00 N ATOM 1270 CA ARG A 84 12.653 0.069 3.741 1.00 0.00 C ATOM 1271 C ARG A 84 12.617 1.557 3.411 1.00 0.00 C ATOM 1272 O ARG A 84 13.619 2.259 3.552 1.00 0.00 O ATOM 1273 CB ARG A 84 12.925 -0.741 2.471 1.00 0.00 C ATOM 1274 CG ARG A 84 13.720 -2.012 2.719 1.00 0.00 C ATOM 1275 CD ARG A 84 14.518 -2.419 1.490 1.00 0.00 C ATOM 1276 NE ARG A 84 14.565 -3.870 1.324 1.00 0.00 N ATOM 1277 CZ ARG A 84 13.563 -4.593 0.831 1.00 0.00 C ATOM 1278 NH1 ARG A 84 12.434 -4.004 0.454 1.00 0.00 N ATOM 1279 NH2 ARG A 84 13.689 -5.907 0.714 1.00 0.00 N ATOM 0 H ARG A 84 10.809 -0.931 3.751 1.00 0.00 H new ATOM 0 HA ARG A 84 13.457 -0.108 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.974 -1.002 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.467 -0.116 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.397 -1.861 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.041 -2.818 2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.074 -1.967 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.533 -2.030 1.572 1.00 0.00 H new ATOM 0 HE ARG A 84 15.417 -4.357 1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.332 -2.993 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.669 -4.563 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.554 -6.364 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.921 -6.461 0.336 1.00 0.00 H new ATOM 1293 N TRP A 85 11.457 2.033 2.971 1.00 0.00 N ATOM 1294 CA TRP A 85 11.290 3.439 2.621 1.00 0.00 C ATOM 1295 C TRP A 85 11.167 4.301 3.874 1.00 0.00 C ATOM 1296 O TRP A 85 11.729 5.393 3.945 1.00 0.00 O ATOM 1297 CB TRP A 85 10.056 3.624 1.737 1.00 0.00 C ATOM 1298 CG TRP A 85 9.853 5.039 1.288 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.480 5.668 0.252 1.00 0.00 C ATOM 1300 CD2 TRP A 85 8.963 6.003 1.864 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.035 6.964 0.146 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.103 7.193 1.125 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.061 5.975 2.931 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.375 8.343 1.420 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.339 7.117 3.223 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.499 8.286 2.469 1.00 0.00 C ATOM 0 H TRP A 85 10.618 1.466 2.848 1.00 0.00 H new ATOM 0 HA TRP A 85 12.174 3.757 2.069 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.146 2.982 0.861 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.173 3.294 2.284 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.219 5.213 -0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.347 7.644 -0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.930 5.077 3.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.498 9.247 0.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.640 7.107 4.046 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.918 9.161 2.721 1.00 0.00 H new ATOM 1317 N LEU A 86 10.427 3.802 4.859 1.00 0.00 N ATOM 1318 CA LEU A 86 10.229 4.527 6.109 1.00 0.00 C ATOM 1319 C LEU A 86 11.562 4.795 6.800 1.00 0.00 C ATOM 1320 O LEU A 86 11.731 5.814 7.470 1.00 0.00 O ATOM 1321 CB LEU A 86 9.308 3.737 7.042 1.00 0.00 C ATOM 1322 CG LEU A 86 7.854 3.631 6.579 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.092 2.634 7.438 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.182 4.995 6.618 1.00 0.00 C ATOM 0 H LEU A 86 9.955 2.899 4.816 1.00 0.00 H new ATOM 0 HA LEU A 86 9.763 5.484 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.711 2.731 7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.327 4.204 8.027 1.00 0.00 H new ATOM 0 HG LEU A 86 7.845 3.273 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.060 2.572 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.561 1.653 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.109 2.962 8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.148 4.901 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.202 5.381 7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.714 5.682 5.959 1.00 0.00 H new ATOM 1336 N ALA A 87 12.504 3.874 6.632 1.00 0.00 N ATOM 1337 CA ALA A 87 13.823 4.011 7.240 1.00 0.00 C ATOM 1338 C ALA A 87 14.788 4.731 6.304 1.00 0.00 C ATOM 1339 O ALA A 87 15.711 5.412 6.752 1.00 0.00 O ATOM 1340 CB ALA A 87 14.373 2.643 7.618 1.00 0.00 C ATOM 0 H ALA A 87 12.380 3.025 6.080 1.00 0.00 H new ATOM 0 HA ALA A 87 13.719 4.612 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.358 2.759 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.700 2.165 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.455 2.024 6.724 1.00 0.00 H new ATOM 1346 N GLU A 88 14.569 4.576 5.002 1.00 0.00 N ATOM 1347 CA GLU A 88 15.421 5.213 4.004 1.00 0.00 C ATOM 1348 C GLU A 88 15.109 6.701 3.889 1.00 0.00 C ATOM 1349 O GLU A 88 16.004 7.518 3.674 1.00 0.00 O ATOM 1350 CB GLU A 88 15.241 4.537 2.644 1.00 0.00 C ATOM 1351 CG GLU A 88 16.178 3.361 2.419 1.00 0.00 C ATOM 1352 CD GLU A 88 16.776 3.348 1.026 1.00 0.00 C ATOM 1353 OE1 GLU A 88 17.358 4.377 0.620 1.00 0.00 O ATOM 1354 OE2 GLU A 88 16.662 2.310 0.341 1.00 0.00 O ATOM 0 H GLU A 88 13.810 4.016 4.614 1.00 0.00 H new ATOM 0 HA GLU A 88 16.457 5.102 4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.211 4.192 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.402 5.274 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.982 3.396 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.634 2.431 2.585 1.00 0.00 H new ATOM 1361 N ARG A 89 13.833 7.046 4.034 1.00 0.00 N ATOM 1362 CA ARG A 89 13.405 8.438 3.947 1.00 0.00 C ATOM 1363 C ARG A 89 13.918 9.241 5.138 1.00 0.00 C ATOM 1364 O ARG A 89 14.192 10.435 5.024 1.00 0.00 O ATOM 1365 CB ARG A 89 11.878 8.521 3.874 1.00 0.00 C ATOM 1366 CG ARG A 89 11.180 8.127 5.168 1.00 0.00 C ATOM 1367 CD ARG A 89 9.677 8.344 5.084 1.00 0.00 C ATOM 1368 NE ARG A 89 9.199 9.272 6.109 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.217 10.597 5.980 1.00 0.00 C ATOM 1370 NH1 ARG A 89 9.680 11.160 4.871 1.00 0.00 N ATOM 1371 NH2 ARG A 89 8.765 11.363 6.964 1.00 0.00 N ATOM 0 H ARG A 89 13.079 6.382 4.212 1.00 0.00 H new ATOM 0 HA ARG A 89 13.827 8.866 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.591 9.539 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.526 7.874 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.385 7.079 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.587 8.711 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.421 8.730 4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.166 7.388 5.194 1.00 0.00 H new ATOM 0 HE ARG A 89 8.829 8.880 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.026 10.577 4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.690 12.176 4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.404 10.937 7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.778 12.378 6.867 1.00 0.00 H new ATOM 1385 N LYS A 90 14.044 8.577 6.283 1.00 0.00 N ATOM 1386 CA LYS A 90 14.524 9.228 7.496 1.00 0.00 C ATOM 1387 C LYS A 90 16.047 9.167 7.580 1.00 0.00 C ATOM 1388 O LYS A 90 16.607 8.701 8.573 1.00 0.00 O ATOM 1389 CB LYS A 90 13.904 8.571 8.731 1.00 0.00 C ATOM 1390 CG LYS A 90 12.459 8.978 8.976 1.00 0.00 C ATOM 1391 CD LYS A 90 12.301 9.721 10.294 1.00 0.00 C ATOM 1392 CE LYS A 90 11.720 8.822 11.374 1.00 0.00 C ATOM 1393 NZ LYS A 90 12.641 7.705 11.722 1.00 0.00 N ATOM 0 H LYS A 90 13.820 7.588 6.396 1.00 0.00 H new ATOM 0 HA LYS A 90 14.223 10.275 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 90 13.954 7.488 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.499 8.829 9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.115 9.611 8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.826 8.090 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.270 10.100 10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.652 10.585 10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.513 9.413 12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.768 8.415 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.208 7.116 12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.818 7.125 10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.541 8.093 12.071 1.00 0.00 H new ATOM 1407 N GLN A 91 16.711 9.641 6.532 1.00 0.00 N ATOM 1408 CA GLN A 91 18.169 9.642 6.487 1.00 0.00 C ATOM 1409 C GLN A 91 18.743 10.687 7.439 1.00 0.00 C ATOM 1410 O GLN A 91 19.842 10.520 7.968 1.00 0.00 O ATOM 1411 CB GLN A 91 18.656 9.910 5.061 1.00 0.00 C ATOM 1412 CG GLN A 91 19.853 9.063 4.658 1.00 0.00 C ATOM 1413 CD GLN A 91 20.400 9.440 3.296 1.00 0.00 C ATOM 1414 OE1 GLN A 91 20.165 8.586 2.306 1.00 0.00 O flip ATOM 1415 NE2 GLN A 91 21.028 10.486 3.133 1.00 0.00 N flip ATOM 0 H GLN A 91 16.263 10.030 5.702 1.00 0.00 H new ATOM 0 HA GLN A 91 18.518 8.659 6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.838 9.723 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.919 10.964 4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.639 9.173 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.564 8.012 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 91 21.186 11.114 3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.390 10.725 2.210 1.00 0.00 H new ATOM 1424 N GLN A 92 17.993 11.763 7.652 1.00 0.00 N ATOM 1425 CA GLN A 92 18.428 12.835 8.542 1.00 0.00 C ATOM 1426 C GLN A 92 19.713 13.478 8.030 1.00 0.00 C ATOM 1427 O GLN A 92 20.722 13.523 8.735 1.00 0.00 O ATOM 1428 CB GLN A 92 18.636 12.297 9.958 1.00 0.00 C ATOM 1429 CG GLN A 92 18.205 13.267 11.047 1.00 0.00 C ATOM 1430 CD GLN A 92 17.133 12.691 11.952 1.00 0.00 C ATOM 1431 OE1 GLN A 92 16.336 11.852 11.533 1.00 0.00 O ATOM 1432 NE2 GLN A 92 17.109 13.141 13.201 1.00 0.00 N ATOM 0 H GLN A 92 17.081 11.917 7.221 1.00 0.00 H new ATOM 0 HA GLN A 92 17.648 13.597 8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 92 18.079 11.367 10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 92 19.690 12.055 10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 92 19.072 13.542 11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.833 14.182 10.586 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.789 13.837 13.505 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.410 12.790 13.856 1.00 0.00 H new ATOM 1441 N SER A 93 19.670 13.976 6.799 1.00 0.00 N ATOM 1442 CA SER A 93 20.830 14.617 6.192 1.00 0.00 C ATOM 1443 C SER A 93 20.681 16.136 6.204 1.00 0.00 C ATOM 1444 O SER A 93 21.154 16.823 5.299 1.00 0.00 O ATOM 1445 CB SER A 93 21.020 14.123 4.757 1.00 0.00 C ATOM 1446 OG SER A 93 20.688 12.750 4.642 1.00 0.00 O ATOM 0 H SER A 93 18.844 13.948 6.202 1.00 0.00 H new ATOM 0 HA SER A 93 21.709 14.351 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 93 20.396 14.709 4.082 1.00 0.00 H new ATOM 0 HB3 SER A 93 22.054 14.277 4.450 1.00 0.00 H new ATOM 0 HG SER A 93 19.979 12.640 3.975 1.00 0.00 H new ATOM 1452 N GLY A 94 20.018 16.651 7.234 1.00 0.00 N ATOM 1453 CA GLY A 94 19.818 18.084 7.344 1.00 0.00 C ATOM 1454 C GLY A 94 18.398 18.442 7.743 1.00 0.00 C ATOM 1455 O GLY A 94 17.731 17.669 8.431 1.00 0.00 O ATOM 0 H GLY A 94 19.616 16.102 7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 94 20.512 18.489 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 94 20.054 18.555 6.390 1.00 0.00 H new ATOM 1459 N PRO A 95 17.902 19.619 7.322 1.00 0.00 N ATOM 1460 CA PRO A 95 16.544 20.066 7.647 1.00 0.00 C ATOM 1461 C PRO A 95 15.478 19.244 6.931 1.00 0.00 C ATOM 1462 O PRO A 95 14.363 19.086 7.430 1.00 0.00 O ATOM 1463 CB PRO A 95 16.519 21.516 7.159 1.00 0.00 C ATOM 1464 CG PRO A 95 17.552 21.572 6.087 1.00 0.00 C ATOM 1465 CD PRO A 95 18.627 20.604 6.497 1.00 0.00 C ATOM 0 HA PRO A 95 16.323 19.957 8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 95 15.535 21.788 6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.749 22.210 7.967 1.00 0.00 H new ATOM 0 HG2 PRO A 95 17.127 21.298 5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.953 22.580 5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.097 20.136 5.632 1.00 0.00 H new ATOM 0 HD3 PRO A 95 19.418 21.097 7.062 1.00 0.00 H new ATOM 1473 N SER A 96 15.825 18.724 5.759 1.00 0.00 N ATOM 1474 CA SER A 96 14.898 17.917 4.974 1.00 0.00 C ATOM 1475 C SER A 96 13.655 18.722 4.607 1.00 0.00 C ATOM 1476 O SER A 96 13.602 19.933 4.821 1.00 0.00 O ATOM 1477 CB SER A 96 14.496 16.663 5.752 1.00 0.00 C ATOM 1478 OG SER A 96 14.087 15.628 4.874 1.00 0.00 O ATOM 0 H SER A 96 16.743 18.847 5.331 1.00 0.00 H new ATOM 0 HA SER A 96 15.402 17.619 4.054 1.00 0.00 H new ATOM 0 HB2 SER A 96 15.336 16.321 6.356 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.685 16.902 6.440 1.00 0.00 H new ATOM 0 HG SER A 96 13.837 14.837 5.395 1.00 0.00 H new ATOM 1484 N SER A 97 12.657 18.041 4.054 1.00 0.00 N ATOM 1485 CA SER A 97 11.415 18.693 3.657 1.00 0.00 C ATOM 1486 C SER A 97 10.599 19.099 4.879 1.00 0.00 C ATOM 1487 O SER A 97 10.381 20.284 5.127 1.00 0.00 O ATOM 1488 CB SER A 97 10.590 17.764 2.764 1.00 0.00 C ATOM 1489 OG SER A 97 11.407 17.124 1.800 1.00 0.00 O ATOM 0 H SER A 97 12.684 17.038 3.871 1.00 0.00 H new ATOM 0 HA SER A 97 11.669 19.593 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.091 17.014 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.810 18.336 2.262 1.00 0.00 H new ATOM 0 HG SER A 97 10.856 16.535 1.243 1.00 0.00 H new ATOM 1495 N GLY A 98 10.152 18.106 5.642 1.00 0.00 N ATOM 1496 CA GLY A 98 9.366 18.380 6.831 1.00 0.00 C ATOM 1497 C GLY A 98 8.048 19.058 6.511 1.00 0.00 C ATOM 1498 O GLY A 98 8.003 20.306 6.527 1.00 0.00 O ATOM 1499 OXT GLY A 98 7.061 18.342 6.243 1.00 0.00 O ATOM 0 H GLY A 98 10.320 17.117 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.172 17.446 7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.942 19.013 7.506 1.00 0.00 H new TER 1503 GLY A 98