USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 910 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 46 MET CE :methyl -159:sc= -1 (180deg=0) USER MOD Set 1.2: A 74 MET CE :methyl 172:sc= -3.31 (180deg=-2.01) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 36 LYS NZ :NH3+ 171:sc= -0.0126 (180deg=-0.075) 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 11 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 14 GLN : amide:sc= -2! C(o=-2!,f=-2!) USER MOD Single : A 15 HIS : no HD1:sc= -2.24! K(o=-2.2!,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 140:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -75:sc= 0.339 USER MOD Single : A 35 CYS SG : rot -65:sc= 0.363 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 42 ASN : amide:sc= -6.88! K(o=-6.9!,f=-2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -171:sc= 0.976 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.25 K(o=-2.3,f=-9.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.871 USER MOD Single : A 75 ASN : amide:sc=-0.00615 K(o=-0.0061,f=-0.65) USER MOD Single : A 76 SER OG : rot 46:sc= -0.129 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.44) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -139:sc= 0.0625 USER MOD Single : A 90 LYS NZ :NH3+ -122:sc= -0.073 (180deg=-0.661) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 107 TYR OH : rot -28:sc= 1.13 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -80:sc= 0.16 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.759 6.594 47.903 1.00 0.00 N ATOM 2 CA GLY A 1 -15.024 6.597 46.651 1.00 0.00 C ATOM 3 C GLY A 1 -13.555 6.917 46.843 1.00 0.00 C ATOM 4 O GLY A 1 -13.077 7.962 46.400 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.758 6.370 47.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.356 5.878 48.541 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.691 7.532 48.348 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.121 5.622 46.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.467 7.328 45.975 1.00 0.00 H new ATOM 8 N SER A 2 -12.836 6.017 47.505 1.00 0.00 N ATOM 9 CA SER A 2 -11.413 6.211 47.759 1.00 0.00 C ATOM 10 C SER A 2 -10.656 6.448 46.456 1.00 0.00 C ATOM 11 O SER A 2 -9.889 7.403 46.336 1.00 0.00 O ATOM 12 CB SER A 2 -10.833 4.996 48.486 1.00 0.00 C ATOM 13 OG SER A 2 -10.994 5.116 49.889 1.00 0.00 O ATOM 0 H SER A 2 -13.215 5.146 47.876 1.00 0.00 H new ATOM 0 HA SER A 2 -11.298 7.092 48.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.327 4.089 48.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.775 4.896 48.246 1.00 0.00 H new ATOM 0 HG SER A 2 -10.617 4.326 50.330 1.00 0.00 H new ATOM 19 N SER A 3 -10.878 5.571 45.482 1.00 0.00 N ATOM 20 CA SER A 3 -10.215 5.681 44.188 1.00 0.00 C ATOM 21 C SER A 3 -10.573 6.997 43.504 1.00 0.00 C ATOM 22 O SER A 3 -11.715 7.207 43.097 1.00 0.00 O ATOM 23 CB SER A 3 -10.603 4.504 43.291 1.00 0.00 C ATOM 24 OG SER A 3 -9.640 4.302 42.271 1.00 0.00 O ATOM 0 H SER A 3 -11.512 4.776 45.565 1.00 0.00 H new ATOM 0 HA SER A 3 -9.138 5.661 44.356 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.696 3.600 43.892 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.579 4.690 42.843 1.00 0.00 H new ATOM 0 HG SER A 3 -9.910 3.543 41.712 1.00 0.00 H new ATOM 30 N GLY A 4 -9.588 7.881 43.382 1.00 0.00 N ATOM 31 CA GLY A 4 -9.818 9.165 42.747 1.00 0.00 C ATOM 32 C GLY A 4 -8.694 9.558 41.809 1.00 0.00 C ATOM 33 O GLY A 4 -7.715 10.177 42.226 1.00 0.00 O ATOM 0 H GLY A 4 -8.635 7.731 43.712 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.755 9.129 42.191 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.931 9.931 43.514 1.00 0.00 H new ATOM 37 N SER A 5 -8.834 9.197 40.537 1.00 0.00 N ATOM 38 CA SER A 5 -7.819 9.510 39.538 1.00 0.00 C ATOM 39 C SER A 5 -8.436 10.240 38.348 1.00 0.00 C ATOM 40 O SER A 5 -9.227 9.669 37.598 1.00 0.00 O ATOM 41 CB SER A 5 -7.128 8.231 39.063 1.00 0.00 C ATOM 42 OG SER A 5 -6.155 8.514 38.072 1.00 0.00 O ATOM 0 H SER A 5 -9.640 8.688 40.174 1.00 0.00 H new ATOM 0 HA SER A 5 -7.079 10.163 40.000 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.655 7.734 39.910 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.870 7.541 38.662 1.00 0.00 H new ATOM 0 HG SER A 5 -5.727 7.680 37.786 1.00 0.00 H new ATOM 48 N SER A 6 -8.068 11.506 38.183 1.00 0.00 N ATOM 49 CA SER A 6 -8.587 12.317 37.087 1.00 0.00 C ATOM 50 C SER A 6 -7.457 13.052 36.373 1.00 0.00 C ATOM 51 O SER A 6 -6.810 13.927 36.947 1.00 0.00 O ATOM 52 CB SER A 6 -9.614 13.322 37.611 1.00 0.00 C ATOM 53 OG SER A 6 -10.256 13.998 36.544 1.00 0.00 O ATOM 0 H SER A 6 -7.412 11.993 38.794 1.00 0.00 H new ATOM 0 HA SER A 6 -9.072 11.652 36.373 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.357 12.804 38.217 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.121 14.046 38.260 1.00 0.00 H new ATOM 0 HG SER A 6 -10.909 14.633 36.905 1.00 0.00 H new ATOM 59 N GLY A 7 -7.226 12.690 35.115 1.00 0.00 N ATOM 60 CA GLY A 7 -6.175 13.324 34.341 1.00 0.00 C ATOM 61 C GLY A 7 -6.460 13.308 32.853 1.00 0.00 C ATOM 62 O GLY A 7 -6.959 12.317 32.321 1.00 0.00 O ATOM 0 H GLY A 7 -7.748 11.969 34.618 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.055 14.355 34.674 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.230 12.815 34.532 1.00 0.00 H new ATOM 66 N GLU A 8 -6.144 14.410 32.179 1.00 0.00 N ATOM 67 CA GLU A 8 -6.372 14.519 30.743 1.00 0.00 C ATOM 68 C GLU A 8 -5.109 14.987 30.025 1.00 0.00 C ATOM 69 O GLU A 8 -5.140 15.885 29.184 1.00 0.00 O ATOM 70 CB GLU A 8 -7.522 15.487 30.459 1.00 0.00 C ATOM 71 CG GLU A 8 -7.180 16.939 30.743 1.00 0.00 C ATOM 72 CD GLU A 8 -8.391 17.756 31.150 1.00 0.00 C ATOM 73 OE1 GLU A 8 -9.347 17.838 30.351 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.383 18.312 32.268 1.00 0.00 O ATOM 0 H GLU A 8 -5.730 15.239 32.605 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.637 13.531 30.367 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.818 15.390 29.414 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.384 15.201 31.062 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.433 16.984 31.536 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.729 17.382 29.855 1.00 0.00 H new ATOM 81 N PRO A 9 -3.971 14.365 30.366 1.00 0.00 N ATOM 82 CA PRO A 9 -2.676 14.701 29.766 1.00 0.00 C ATOM 83 C PRO A 9 -2.586 14.277 28.305 1.00 0.00 C ATOM 84 O PRO A 9 -3.403 13.492 27.825 1.00 0.00 O ATOM 85 CB PRO A 9 -1.676 13.911 30.615 1.00 0.00 C ATOM 86 CG PRO A 9 -2.462 12.769 31.160 1.00 0.00 C ATOM 87 CD PRO A 9 -3.860 13.286 31.361 1.00 0.00 C ATOM 0 HA PRO A 9 -2.496 15.776 29.761 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.835 13.563 30.015 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.263 14.526 31.415 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.454 11.925 30.470 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.037 12.417 32.100 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.604 12.507 31.194 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.009 13.657 32.375 1.00 0.00 H new ATOM 95 N ALA A 10 -1.586 14.800 27.602 1.00 0.00 N ATOM 96 CA ALA A 10 -1.389 14.473 26.195 1.00 0.00 C ATOM 97 C ALA A 10 0.017 13.935 25.949 1.00 0.00 C ATOM 98 O ALA A 10 0.997 14.470 26.469 1.00 0.00 O ATOM 99 CB ALA A 10 -1.647 15.695 25.327 1.00 0.00 C ATOM 0 H ALA A 10 -0.900 15.451 27.984 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.102 13.693 25.926 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.496 15.435 24.279 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.672 16.035 25.473 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.958 16.492 25.606 1.00 0.00 H new ATOM 105 N HIS A 11 0.109 12.873 25.154 1.00 0.00 N ATOM 106 CA HIS A 11 1.396 12.263 24.839 1.00 0.00 C ATOM 107 C HIS A 11 1.708 12.390 23.351 1.00 0.00 C ATOM 108 O HIS A 11 0.980 11.869 22.508 1.00 0.00 O ATOM 109 CB HIS A 11 1.399 10.790 25.249 1.00 0.00 C ATOM 110 CG HIS A 11 1.529 10.579 26.726 1.00 0.00 C ATOM 111 ND1 HIS A 11 0.515 10.063 27.505 1.00 0.00 N ATOM 112 CD2 HIS A 11 2.562 10.818 27.567 1.00 0.00 C ATOM 113 CE1 HIS A 11 0.918 9.994 28.761 1.00 0.00 C ATOM 114 NE2 HIS A 11 2.158 10.445 28.825 1.00 0.00 N ATOM 0 H HIS A 11 -0.692 12.418 24.717 1.00 0.00 H new ATOM 0 HA HIS A 11 2.168 12.790 25.400 1.00 0.00 H new ATOM 0 HB2 HIS A 11 0.476 10.324 24.904 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.221 10.283 24.744 1.00 0.00 H new ATOM 0 HD2 HIS A 11 3.525 11.226 27.298 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.334 9.631 29.593 1.00 0.00 H new ATOM 0 HE2 HIS A 11 2.724 10.506 29.672 1.00 0.00 H new ATOM 122 N GLY A 12 2.795 13.088 23.037 1.00 0.00 N ATOM 123 CA GLY A 12 3.184 13.272 21.651 1.00 0.00 C ATOM 124 C GLY A 12 3.408 11.956 20.932 1.00 0.00 C ATOM 125 O GLY A 12 4.440 11.310 21.113 1.00 0.00 O ATOM 0 H GLY A 12 3.413 13.529 23.718 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.411 13.839 21.132 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.097 13.866 21.609 1.00 0.00 H new ATOM 129 N ARG A 13 2.437 11.557 20.116 1.00 0.00 N ATOM 130 CA ARG A 13 2.532 10.308 19.370 1.00 0.00 C ATOM 131 C ARG A 13 2.096 10.505 17.922 1.00 0.00 C ATOM 132 O ARG A 13 1.387 11.459 17.602 1.00 0.00 O ATOM 133 CB ARG A 13 1.673 9.228 20.030 1.00 0.00 C ATOM 134 CG ARG A 13 2.193 7.817 19.812 1.00 0.00 C ATOM 135 CD ARG A 13 3.133 7.391 20.929 1.00 0.00 C ATOM 136 NE ARG A 13 2.444 7.283 22.212 1.00 0.00 N ATOM 137 CZ ARG A 13 2.894 6.556 23.229 1.00 0.00 C ATOM 138 NH1 ARG A 13 4.027 5.877 23.112 1.00 0.00 N ATOM 139 NH2 ARG A 13 2.211 6.508 24.365 1.00 0.00 N ATOM 0 H ARG A 13 1.576 12.080 19.955 1.00 0.00 H new ATOM 0 HA ARG A 13 3.574 9.988 19.377 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.618 9.424 21.101 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.657 9.296 19.641 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.354 7.123 19.757 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.714 7.764 18.856 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.583 6.431 20.677 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.946 8.112 21.014 1.00 0.00 H new ATOM 0 HE ARG A 13 1.569 7.794 22.334 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.555 5.912 22.240 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.371 5.320 23.894 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.339 7.029 24.458 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.557 5.950 25.145 1.00 0.00 H new ATOM 153 N GLN A 14 2.525 9.597 17.051 1.00 0.00 N ATOM 154 CA GLN A 14 2.179 9.673 15.636 1.00 0.00 C ATOM 155 C GLN A 14 1.302 8.495 15.226 1.00 0.00 C ATOM 156 O GLN A 14 1.525 7.363 15.656 1.00 0.00 O ATOM 157 CB GLN A 14 3.447 9.703 14.781 1.00 0.00 C ATOM 158 CG GLN A 14 4.236 8.404 14.818 1.00 0.00 C ATOM 159 CD GLN A 14 4.926 8.178 16.149 1.00 0.00 C ATOM 160 OE1 GLN A 14 5.723 9.003 16.596 1.00 0.00 O ATOM 161 NE2 GLN A 14 4.622 7.056 16.790 1.00 0.00 N ATOM 0 H GLN A 14 3.112 8.801 17.300 1.00 0.00 H new ATOM 0 HA GLN A 14 1.618 10.593 15.473 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.174 9.924 13.749 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.087 10.517 15.123 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.565 7.570 14.615 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.982 8.414 14.023 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.956 6.400 16.382 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.055 6.850 17.690 1.00 0.00 H new ATOM 170 N HIS A 15 0.303 8.769 14.393 1.00 0.00 N ATOM 171 CA HIS A 15 -0.608 7.731 13.924 1.00 0.00 C ATOM 172 C HIS A 15 -1.052 8.004 12.491 1.00 0.00 C ATOM 173 O HIS A 15 -1.341 9.144 12.125 1.00 0.00 O ATOM 174 CB HIS A 15 -1.829 7.643 14.841 1.00 0.00 C ATOM 175 CG HIS A 15 -1.512 7.132 16.213 1.00 0.00 C ATOM 176 ND1 HIS A 15 -1.141 7.956 17.255 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.515 5.874 16.712 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.927 7.226 18.335 1.00 0.00 C ATOM 179 NE2 HIS A 15 -1.147 5.959 18.032 1.00 0.00 N ATOM 0 H HIS A 15 0.104 9.701 14.029 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.077 6.779 13.945 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.281 8.631 14.926 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.572 6.991 14.382 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.761 4.971 16.172 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.624 7.601 19.301 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.058 5.172 18.674 1.00 0.00 H new ATOM 187 N THR A 16 -1.104 6.951 11.681 1.00 0.00 N ATOM 188 CA THR A 16 -1.511 7.078 10.287 1.00 0.00 C ATOM 189 C THR A 16 -2.788 6.291 10.014 1.00 0.00 C ATOM 190 O THR A 16 -2.868 5.087 10.257 1.00 0.00 O ATOM 191 CB THR A 16 -0.406 6.589 9.333 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.770 6.869 7.977 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.168 5.095 9.500 1.00 0.00 C ATOM 0 H THR A 16 -0.869 6.000 11.967 1.00 0.00 H new ATOM 0 HA THR A 16 -1.694 8.137 10.106 1.00 0.00 H new ATOM 0 HB THR A 16 0.515 7.118 9.579 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.019 7.174 7.483 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.617 4.773 8.816 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.137 4.888 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.087 4.553 9.278 1.00 0.00 H new ATOM 201 N PRO A 17 -3.811 6.985 9.494 1.00 0.00 N ATOM 202 CA PRO A 17 -5.103 6.371 9.174 1.00 0.00 C ATOM 203 C PRO A 17 -5.015 5.421 7.984 1.00 0.00 C ATOM 204 O PRO A 17 -4.023 5.414 7.254 1.00 0.00 O ATOM 205 CB PRO A 17 -5.993 7.570 8.837 1.00 0.00 C ATOM 206 CG PRO A 17 -5.047 8.628 8.384 1.00 0.00 C ATOM 207 CD PRO A 17 -3.786 8.423 9.178 1.00 0.00 C ATOM 0 HA PRO A 17 -5.479 5.762 9.996 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.713 7.322 8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.565 7.896 9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.853 8.546 7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.460 9.622 8.558 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.901 8.692 8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.777 9.033 10.081 1.00 0.00 H new ATOM 215 N CYS A 18 -6.058 4.620 7.794 1.00 0.00 N ATOM 216 CA CYS A 18 -6.099 3.666 6.692 1.00 0.00 C ATOM 217 C CYS A 18 -6.523 4.350 5.396 1.00 0.00 C ATOM 218 O CYS A 18 -7.105 5.435 5.415 1.00 0.00 O ATOM 219 CB CYS A 18 -7.061 2.522 7.017 1.00 0.00 C ATOM 220 SG CYS A 18 -7.010 1.146 5.824 1.00 0.00 S ATOM 0 H CYS A 18 -6.886 4.613 8.389 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.096 3.261 6.557 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.828 2.137 8.010 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.076 2.916 7.058 1.00 0.00 H new ATOM 225 N LEU A 19 -6.229 3.707 4.271 1.00 0.00 N ATOM 226 CA LEU A 19 -6.580 4.252 2.964 1.00 0.00 C ATOM 227 C LEU A 19 -8.038 3.958 2.625 1.00 0.00 C ATOM 228 O LEU A 19 -8.772 4.839 2.178 1.00 0.00 O ATOM 229 CB LEU A 19 -5.666 3.670 1.885 1.00 0.00 C ATOM 230 CG LEU A 19 -4.164 3.752 2.161 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.843 4.974 3.008 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.678 2.484 2.846 1.00 0.00 C ATOM 0 H LEU A 19 -5.749 2.808 4.238 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.446 5.333 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.931 2.623 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.871 4.185 0.947 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.644 3.849 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.770 5.016 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.155 5.875 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.374 4.908 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.607 2.560 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.205 2.356 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.873 1.626 2.203 1.00 0.00 H new ATOM 244 N PHE A 20 -8.451 2.714 2.843 1.00 0.00 N ATOM 245 CA PHE A 20 -9.821 2.303 2.562 1.00 0.00 C ATOM 246 C PHE A 20 -10.760 2.737 3.683 1.00 0.00 C ATOM 247 O PHE A 20 -11.825 3.303 3.434 1.00 0.00 O ATOM 248 CB PHE A 20 -9.894 0.786 2.378 1.00 0.00 C ATOM 249 CG PHE A 20 -8.924 0.258 1.361 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.243 0.262 0.013 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.693 -0.242 1.753 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.352 -0.225 -0.925 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.797 -0.729 0.819 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.127 -0.720 -0.522 1.00 0.00 C ATOM 0 H PHE A 20 -7.856 1.973 3.214 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.137 2.789 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.703 0.302 3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.906 0.513 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.198 0.650 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.430 -0.252 2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.614 -0.218 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.840 -1.116 1.138 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.429 -1.099 -1.254 1.00 0.00 H new ATOM 264 N CYS A 21 -10.358 2.467 4.921 1.00 0.00 N ATOM 265 CA CYS A 21 -11.162 2.828 6.082 1.00 0.00 C ATOM 266 C CYS A 21 -10.521 3.979 6.851 1.00 0.00 C ATOM 267 O CYS A 21 -9.482 4.504 6.451 1.00 0.00 O ATOM 268 CB CYS A 21 -11.335 1.619 7.004 1.00 0.00 C ATOM 269 SG CYS A 21 -9.834 1.172 7.934 1.00 0.00 S ATOM 0 H CYS A 21 -9.480 1.999 5.145 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.141 3.151 5.728 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.139 1.826 7.710 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.648 0.762 6.407 1.00 0.00 H new ATOM 274 N ASP A 22 -11.148 4.367 7.957 1.00 0.00 N ATOM 275 CA ASP A 22 -10.639 5.455 8.783 1.00 0.00 C ATOM 276 C ASP A 22 -10.035 4.918 10.077 1.00 0.00 C ATOM 277 O ASP A 22 -10.298 5.441 11.160 1.00 0.00 O ATOM 278 CB ASP A 22 -11.758 6.448 9.102 1.00 0.00 C ATOM 279 CG ASP A 22 -11.950 7.475 8.003 1.00 0.00 C ATOM 280 OD1 ASP A 22 -10.984 8.204 7.697 1.00 0.00 O ATOM 281 OD2 ASP A 22 -13.068 7.551 7.450 1.00 0.00 O ATOM 0 H ASP A 22 -12.010 3.944 8.302 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.857 5.968 8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.690 5.904 9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.531 6.959 10.038 1.00 0.00 H new ATOM 286 N ARG A 23 -9.226 3.871 9.956 1.00 0.00 N ATOM 287 CA ARG A 23 -8.586 3.262 11.116 1.00 0.00 C ATOM 288 C ARG A 23 -7.172 3.803 11.304 1.00 0.00 C ATOM 289 O ARG A 23 -6.367 3.803 10.371 1.00 0.00 O ATOM 290 CB ARG A 23 -8.546 1.740 10.963 1.00 0.00 C ATOM 291 CG ARG A 23 -9.884 1.067 11.221 1.00 0.00 C ATOM 292 CD ARG A 23 -9.783 -0.444 11.077 1.00 0.00 C ATOM 293 NE ARG A 23 -10.895 -1.131 11.729 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.955 -2.448 11.886 1.00 0.00 C ATOM 295 NH1 ARG A 23 -9.971 -3.217 11.442 1.00 0.00 N ATOM 296 NH2 ARG A 23 -12.000 -2.999 12.490 1.00 0.00 N ATOM 0 H ARG A 23 -8.998 3.427 9.067 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.173 3.516 11.998 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.213 1.493 9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.805 1.333 11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.231 1.316 12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.627 1.452 10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.764 -0.707 10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.842 -0.787 11.507 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.668 -0.568 12.083 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.165 -2.797 10.978 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.020 -4.229 11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.759 -2.411 12.834 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.045 -4.011 12.610 1.00 0.00 H new ATOM 310 N LEU A 24 -6.876 4.263 12.514 1.00 0.00 N ATOM 311 CA LEU A 24 -5.558 4.808 12.824 1.00 0.00 C ATOM 312 C LEU A 24 -4.612 3.708 13.296 1.00 0.00 C ATOM 313 O LEU A 24 -5.026 2.766 13.972 1.00 0.00 O ATOM 314 CB LEU A 24 -5.673 5.893 13.896 1.00 0.00 C ATOM 315 CG LEU A 24 -6.126 7.270 13.412 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.428 8.179 14.593 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.067 7.894 12.514 1.00 0.00 C ATOM 0 H LEU A 24 -7.530 4.270 13.297 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.149 5.247 11.914 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.373 5.550 14.658 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.702 6.001 14.380 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.041 7.147 12.832 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.749 9.155 14.228 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.221 7.739 15.198 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.531 8.296 15.201 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.406 8.874 12.178 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.136 8.003 13.071 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.899 7.252 11.649 1.00 0.00 H new ATOM 329 N PHE A 25 -3.339 3.836 12.937 1.00 0.00 N ATOM 330 CA PHE A 25 -2.333 2.854 13.325 1.00 0.00 C ATOM 331 C PHE A 25 -1.035 3.540 13.741 1.00 0.00 C ATOM 332 O PHE A 25 -0.501 4.375 13.012 1.00 0.00 O ATOM 333 CB PHE A 25 -2.064 1.885 12.171 1.00 0.00 C ATOM 334 CG PHE A 25 -3.281 1.122 11.732 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.205 1.699 10.876 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.502 -0.171 12.176 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.326 1.000 10.471 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.621 -0.876 11.775 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.534 -0.290 10.920 1.00 0.00 C ATOM 0 H PHE A 25 -2.980 4.610 12.378 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.717 2.295 14.178 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.670 2.444 11.322 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.291 1.178 12.473 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.047 2.707 10.521 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.791 -0.634 12.844 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.039 1.462 9.804 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.781 -1.883 12.130 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.408 -0.839 10.603 1.00 0.00 H new ATOM 349 N ALA A 26 -0.535 3.181 14.919 1.00 0.00 N ATOM 350 CA ALA A 26 0.700 3.760 15.432 1.00 0.00 C ATOM 351 C ALA A 26 1.716 3.967 14.314 1.00 0.00 C ATOM 352 O ALA A 26 2.226 5.070 14.121 1.00 0.00 O ATOM 353 CB ALA A 26 1.285 2.875 16.522 1.00 0.00 C ATOM 0 H ALA A 26 -0.966 2.492 15.535 1.00 0.00 H new ATOM 0 HA ALA A 26 0.465 4.735 15.858 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.207 3.320 16.896 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.569 2.783 17.339 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.498 1.887 16.113 1.00 0.00 H new ATOM 359 N SER A 27 2.007 2.897 13.580 1.00 0.00 N ATOM 360 CA SER A 27 2.966 2.960 12.483 1.00 0.00 C ATOM 361 C SER A 27 2.313 2.551 11.166 1.00 0.00 C ATOM 362 O SER A 27 1.158 2.128 11.139 1.00 0.00 O ATOM 363 CB SER A 27 4.165 2.056 12.774 1.00 0.00 C ATOM 364 OG SER A 27 4.856 2.482 13.935 1.00 0.00 O ATOM 0 H SER A 27 1.592 1.976 13.725 1.00 0.00 H new ATOM 0 HA SER A 27 3.310 3.990 12.392 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.826 1.028 12.906 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.844 2.061 11.921 1.00 0.00 H new ATOM 0 HG SER A 27 5.617 1.887 14.100 1.00 0.00 H new ATOM 370 N ALA A 28 3.062 2.682 10.076 1.00 0.00 N ATOM 371 CA ALA A 28 2.558 2.325 8.756 1.00 0.00 C ATOM 372 C ALA A 28 2.397 0.814 8.620 1.00 0.00 C ATOM 373 O ALA A 28 1.310 0.322 8.323 1.00 0.00 O ATOM 374 CB ALA A 28 3.487 2.858 7.675 1.00 0.00 C ATOM 0 H ALA A 28 4.020 3.033 10.081 1.00 0.00 H new ATOM 0 HA ALA A 28 1.576 2.781 8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.099 2.584 6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.548 3.944 7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.480 2.428 7.805 1.00 0.00 H new ATOM 380 N GLU A 29 3.488 0.086 8.838 1.00 0.00 N ATOM 381 CA GLU A 29 3.466 -1.369 8.738 1.00 0.00 C ATOM 382 C GLU A 29 2.161 -1.933 9.292 1.00 0.00 C ATOM 383 O GLU A 29 1.551 -2.817 8.690 1.00 0.00 O ATOM 384 CB GLU A 29 4.655 -1.972 9.490 1.00 0.00 C ATOM 385 CG GLU A 29 6.004 -1.545 8.938 1.00 0.00 C ATOM 386 CD GLU A 29 6.487 -0.233 9.526 1.00 0.00 C ATOM 387 OE1 GLU A 29 6.090 0.088 10.665 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.262 0.471 8.846 1.00 0.00 O ATOM 0 H GLU A 29 4.396 0.479 9.085 1.00 0.00 H new ATOM 0 HA GLU A 29 3.538 -1.636 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.594 -1.684 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.584 -3.059 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.739 -2.323 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.935 -1.450 7.854 1.00 0.00 H new ATOM 395 N GLU A 30 1.740 -1.416 10.441 1.00 0.00 N ATOM 396 CA GLU A 30 0.508 -1.869 11.077 1.00 0.00 C ATOM 397 C GLU A 30 -0.666 -1.790 10.105 1.00 0.00 C ATOM 398 O GLU A 30 -1.401 -2.761 9.919 1.00 0.00 O ATOM 399 CB GLU A 30 0.211 -1.030 12.321 1.00 0.00 C ATOM 400 CG GLU A 30 0.831 -1.586 13.592 1.00 0.00 C ATOM 401 CD GLU A 30 2.241 -1.078 13.824 1.00 0.00 C ATOM 402 OE1 GLU A 30 3.136 -1.430 13.029 1.00 0.00 O ATOM 403 OE2 GLU A 30 2.448 -0.328 14.801 1.00 0.00 O ATOM 0 H GLU A 30 2.233 -0.683 10.951 1.00 0.00 H new ATOM 0 HA GLU A 30 0.644 -2.909 11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.578 -0.016 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.869 -0.961 12.453 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.207 -1.317 14.444 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.845 -2.675 13.539 1.00 0.00 H new ATOM 410 N THR A 31 -0.838 -0.626 9.487 1.00 0.00 N ATOM 411 CA THR A 31 -1.923 -0.418 8.536 1.00 0.00 C ATOM 412 C THR A 31 -1.838 -1.408 7.380 1.00 0.00 C ATOM 413 O THR A 31 -2.729 -2.237 7.192 1.00 0.00 O ATOM 414 CB THR A 31 -1.909 1.015 7.971 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.622 1.950 9.017 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.245 1.357 7.330 1.00 0.00 C ATOM 0 H THR A 31 -0.239 0.188 9.628 1.00 0.00 H new ATOM 0 HA THR A 31 -2.854 -0.577 9.080 1.00 0.00 H new ATOM 0 HB THR A 31 -1.133 1.074 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.417 2.067 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.211 2.374 6.938 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.447 0.661 6.516 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.036 1.282 8.076 1.00 0.00 H new ATOM 424 N PHE A 32 -0.760 -1.318 6.608 1.00 0.00 N ATOM 425 CA PHE A 32 -0.559 -2.207 5.469 1.00 0.00 C ATOM 426 C PHE A 32 -0.992 -3.630 5.807 1.00 0.00 C ATOM 427 O PHE A 32 -1.826 -4.217 5.117 1.00 0.00 O ATOM 428 CB PHE A 32 0.910 -2.197 5.041 1.00 0.00 C ATOM 429 CG PHE A 32 1.373 -0.868 4.517 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.577 -0.135 3.651 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.603 -0.351 4.890 1.00 0.00 C ATOM 432 CE1 PHE A 32 1.001 1.088 3.167 1.00 0.00 C ATOM 433 CE2 PHE A 32 3.032 0.871 4.409 1.00 0.00 C ATOM 434 CZ PHE A 32 2.230 1.593 3.547 1.00 0.00 C ATOM 0 H PHE A 32 -0.012 -0.639 6.750 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.173 -1.845 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.530 -2.479 5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.061 -2.954 4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.385 -0.524 3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.234 -0.910 5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.372 1.649 2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.994 1.261 4.707 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.562 2.549 3.171 1.00 0.00 H new ATOM 444 N SER A 33 -0.419 -4.180 6.873 1.00 0.00 N ATOM 445 CA SER A 33 -0.742 -5.536 7.301 1.00 0.00 C ATOM 446 C SER A 33 -2.238 -5.681 7.564 1.00 0.00 C ATOM 447 O SER A 33 -2.845 -6.696 7.221 1.00 0.00 O ATOM 448 CB SER A 33 0.046 -5.897 8.561 1.00 0.00 C ATOM 449 OG SER A 33 1.332 -6.394 8.233 1.00 0.00 O ATOM 0 H SER A 33 0.271 -3.707 7.456 1.00 0.00 H new ATOM 0 HA SER A 33 -0.464 -6.220 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.144 -5.017 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.501 -6.645 9.134 1.00 0.00 H new ATOM 0 HG SER A 33 1.816 -6.616 9.055 1.00 0.00 H new ATOM 455 N HIS A 34 -2.827 -4.658 8.175 1.00 0.00 N ATOM 456 CA HIS A 34 -4.252 -4.669 8.484 1.00 0.00 C ATOM 457 C HIS A 34 -5.084 -4.790 7.211 1.00 0.00 C ATOM 458 O HIS A 34 -6.060 -5.539 7.164 1.00 0.00 O ATOM 459 CB HIS A 34 -4.641 -3.400 9.243 1.00 0.00 C ATOM 460 CG HIS A 34 -6.033 -2.930 8.949 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.160 -3.613 9.354 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.476 -1.835 8.288 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.236 -2.961 8.952 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.848 -1.877 8.303 1.00 0.00 N ATOM 0 H HIS A 34 -2.339 -3.811 8.466 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.455 -5.536 9.113 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.546 -3.583 10.313 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.937 -2.606 8.992 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.162 -4.486 9.882 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.864 -1.070 7.833 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.259 -3.262 9.124 1.00 0.00 H new ATOM 472 N CYS A 35 -4.691 -4.048 6.182 1.00 0.00 N ATOM 473 CA CYS A 35 -5.401 -4.071 4.908 1.00 0.00 C ATOM 474 C CYS A 35 -5.265 -5.432 4.234 1.00 0.00 C ATOM 475 O CYS A 35 -6.186 -5.900 3.563 1.00 0.00 O ATOM 476 CB CYS A 35 -4.868 -2.975 3.983 1.00 0.00 C ATOM 477 SG CYS A 35 -4.846 -1.328 4.728 1.00 0.00 S ATOM 0 H CYS A 35 -3.885 -3.423 6.205 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.457 -3.888 5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.856 -3.236 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.480 -2.946 3.081 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.065 -0.940 4.959 1.00 0.00 H new ATOM 483 N LYS A 36 -4.110 -6.064 4.415 1.00 0.00 N ATOM 484 CA LYS A 36 -3.852 -7.372 3.825 1.00 0.00 C ATOM 485 C LYS A 36 -4.680 -8.452 4.513 1.00 0.00 C ATOM 486 O LYS A 36 -4.905 -9.526 3.954 1.00 0.00 O ATOM 487 CB LYS A 36 -2.364 -7.714 3.924 1.00 0.00 C ATOM 488 CG LYS A 36 -1.461 -6.711 3.226 1.00 0.00 C ATOM 489 CD LYS A 36 -0.024 -6.824 3.707 1.00 0.00 C ATOM 490 CE LYS A 36 0.697 -5.487 3.629 1.00 0.00 C ATOM 491 NZ LYS A 36 1.937 -5.477 4.452 1.00 0.00 N ATOM 0 H LYS A 36 -3.337 -5.691 4.966 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.140 -7.333 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.083 -7.773 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.197 -8.701 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.499 -6.874 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.828 -5.701 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.011 -7.186 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.506 -7.560 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.948 -5.270 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.030 -4.694 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.477 -4.611 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.685 -5.506 5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.517 -6.308 4.216 1.00 0.00 H new ATOM 505 N LEU A 37 -5.131 -8.161 5.728 1.00 0.00 N ATOM 506 CA LEU A 37 -5.935 -9.108 6.493 1.00 0.00 C ATOM 507 C LEU A 37 -7.424 -8.858 6.275 1.00 0.00 C ATOM 508 O LEU A 37 -8.184 -9.784 5.994 1.00 0.00 O ATOM 509 CB LEU A 37 -5.602 -9.005 7.982 1.00 0.00 C ATOM 510 CG LEU A 37 -4.135 -9.221 8.358 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.827 -8.572 9.699 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.807 -10.706 8.394 1.00 0.00 C ATOM 0 H LEU A 37 -4.954 -7.277 6.205 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.698 -10.113 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.905 -8.019 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.206 -9.736 8.520 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.511 -8.750 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.779 -8.736 9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.023 -7.501 9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.458 -9.013 10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.759 -10.841 8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.438 -11.200 9.133 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.988 -11.143 7.412 1.00 0.00 H new ATOM 524 N GLU A 38 -7.833 -7.599 6.405 1.00 0.00 N ATOM 525 CA GLU A 38 -9.231 -7.228 6.221 1.00 0.00 C ATOM 526 C GLU A 38 -9.531 -6.953 4.750 1.00 0.00 C ATOM 527 O GLU A 38 -10.265 -7.702 4.105 1.00 0.00 O ATOM 528 CB GLU A 38 -9.569 -5.995 7.061 1.00 0.00 C ATOM 529 CG GLU A 38 -9.425 -6.219 8.557 1.00 0.00 C ATOM 530 CD GLU A 38 -10.666 -6.833 9.176 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.773 -6.590 8.652 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.529 -7.556 10.185 1.00 0.00 O ATOM 0 H GLU A 38 -7.216 -6.820 6.637 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.849 -8.063 6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.920 -5.173 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.592 -5.688 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.571 -6.870 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.213 -5.267 9.045 1.00 0.00 H new ATOM 539 N HIS A 39 -8.960 -5.873 4.227 1.00 0.00 N ATOM 540 CA HIS A 39 -9.166 -5.498 2.833 1.00 0.00 C ATOM 541 C HIS A 39 -8.400 -6.432 1.900 1.00 0.00 C ATOM 542 O HIS A 39 -8.395 -6.242 0.685 1.00 0.00 O ATOM 543 CB HIS A 39 -8.726 -4.053 2.601 1.00 0.00 C ATOM 544 CG HIS A 39 -9.310 -3.084 3.582 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.635 -3.103 3.961 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.740 -2.064 4.265 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.856 -2.136 4.833 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.721 -1.490 5.035 1.00 0.00 N ATOM 0 H HIS A 39 -8.351 -5.242 4.748 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.230 -5.585 2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.639 -4.000 2.654 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.011 -3.753 1.593 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.336 -3.761 3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.705 -1.758 4.214 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.803 -1.911 5.301 1.00 0.00 H new ATOM 556 N GLN A 40 -7.754 -7.439 2.479 1.00 0.00 N ATOM 557 CA GLN A 40 -6.983 -8.400 1.699 1.00 0.00 C ATOM 558 C GLN A 40 -6.286 -7.717 0.528 1.00 0.00 C ATOM 559 O GLN A 40 -6.242 -8.252 -0.580 1.00 0.00 O ATOM 560 CB GLN A 40 -7.893 -9.518 1.185 1.00 0.00 C ATOM 561 CG GLN A 40 -9.034 -9.020 0.312 1.00 0.00 C ATOM 562 CD GLN A 40 -9.905 -10.146 -0.208 1.00 0.00 C ATOM 563 OE1 GLN A 40 -10.086 -11.165 0.459 1.00 0.00 O ATOM 564 NE2 GLN A 40 -10.449 -9.969 -1.406 1.00 0.00 N ATOM 0 H GLN A 40 -7.749 -7.611 3.484 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.222 -8.830 2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.295 -10.229 0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.307 -10.059 2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.648 -8.325 0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.625 -8.463 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.272 -9.108 -1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.044 -10.694 -1.808 1.00 0.00 H new ATOM 573 N PHE A 41 -5.741 -6.531 0.780 1.00 0.00 N ATOM 574 CA PHE A 41 -5.047 -5.773 -0.254 1.00 0.00 C ATOM 575 C PHE A 41 -3.600 -5.501 0.150 1.00 0.00 C ATOM 576 O PHE A 41 -3.333 -5.011 1.246 1.00 0.00 O ATOM 577 CB PHE A 41 -5.771 -4.452 -0.521 1.00 0.00 C ATOM 578 CG PHE A 41 -4.881 -3.386 -1.094 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.167 -2.539 -0.261 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.759 -3.231 -2.466 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.347 -1.558 -0.785 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.940 -2.251 -2.995 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.235 -1.413 -2.154 1.00 0.00 C ATOM 0 H PHE A 41 -5.767 -6.074 1.692 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.045 -6.369 -1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.597 -4.632 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.205 -4.090 0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.253 -2.647 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.309 -3.883 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.794 -0.906 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.852 -2.141 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.597 -0.645 -2.566 1.00 0.00 H new ATOM 593 N ASN A 42 -2.672 -5.824 -0.745 1.00 0.00 N ATOM 594 CA ASN A 42 -1.252 -5.616 -0.482 1.00 0.00 C ATOM 595 C ASN A 42 -0.734 -4.392 -1.231 1.00 0.00 C ATOM 596 O ASN A 42 -0.966 -4.242 -2.431 1.00 0.00 O ATOM 597 CB ASN A 42 -0.450 -6.854 -0.889 1.00 0.00 C ATOM 598 CG ASN A 42 0.756 -7.080 0.002 1.00 0.00 C ATOM 599 OD1 ASN A 42 1.073 -8.214 0.360 1.00 0.00 O ATOM 600 ND2 ASN A 42 1.434 -5.997 0.365 1.00 0.00 N ATOM 0 H ASN A 42 -2.877 -6.230 -1.658 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.127 -5.446 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.096 -7.731 -0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.120 -6.746 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.254 -6.086 0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.134 -5.076 0.044 1.00 0.00 H new ATOM 607 N ILE A 43 -0.033 -3.520 -0.515 1.00 0.00 N ATOM 608 CA ILE A 43 0.520 -2.310 -1.112 1.00 0.00 C ATOM 609 C ILE A 43 1.777 -2.619 -1.916 1.00 0.00 C ATOM 610 O ILE A 43 2.009 -2.034 -2.974 1.00 0.00 O ATOM 611 CB ILE A 43 0.855 -1.256 -0.040 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.517 -0.036 -0.683 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.760 -1.855 1.027 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.551 0.840 -1.451 1.00 0.00 C ATOM 0 H ILE A 43 0.166 -3.628 0.480 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.244 -1.909 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.072 -0.935 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.996 0.559 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.304 -0.373 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.988 -1.098 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.255 -2.696 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.686 -2.200 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.089 1.686 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.090 0.260 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.223 1.207 -0.777 1.00 0.00 H new ATOM 626 N ASP A 44 2.585 -3.544 -1.409 1.00 0.00 N ATOM 627 CA ASP A 44 3.819 -3.934 -2.082 1.00 0.00 C ATOM 628 C ASP A 44 3.536 -4.410 -3.503 1.00 0.00 C ATOM 629 O ASP A 44 4.274 -4.091 -4.434 1.00 0.00 O ATOM 630 CB ASP A 44 4.529 -5.035 -1.293 1.00 0.00 C ATOM 631 CG ASP A 44 4.059 -6.422 -1.684 1.00 0.00 C ATOM 632 OD1 ASP A 44 4.381 -6.863 -2.807 1.00 0.00 O ATOM 633 OD2 ASP A 44 3.368 -7.067 -0.868 1.00 0.00 O ATOM 0 H ASP A 44 2.408 -4.038 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 44 4.468 -3.060 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.604 -4.959 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.357 -4.883 -0.227 1.00 0.00 H new ATOM 638 N SER A 45 2.462 -5.178 -3.661 1.00 0.00 N ATOM 639 CA SER A 45 2.084 -5.703 -4.968 1.00 0.00 C ATOM 640 C SER A 45 1.922 -4.574 -5.981 1.00 0.00 C ATOM 641 O SER A 45 2.349 -4.689 -7.129 1.00 0.00 O ATOM 642 CB SER A 45 0.782 -6.500 -4.863 1.00 0.00 C ATOM 643 OG SER A 45 0.326 -6.901 -6.143 1.00 0.00 O ATOM 0 H SER A 45 1.839 -5.450 -2.901 1.00 0.00 H new ATOM 0 HA SER A 45 2.880 -6.364 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.939 -7.379 -4.238 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.019 -5.894 -4.375 1.00 0.00 H new ATOM 0 HG SER A 45 -0.506 -7.410 -6.049 1.00 0.00 H new ATOM 649 N MET A 46 1.300 -3.482 -5.546 1.00 0.00 N ATOM 650 CA MET A 46 1.082 -2.331 -6.414 1.00 0.00 C ATOM 651 C MET A 46 2.407 -1.777 -6.927 1.00 0.00 C ATOM 652 O MET A 46 2.628 -1.686 -8.135 1.00 0.00 O ATOM 653 CB MET A 46 0.315 -1.239 -5.666 1.00 0.00 C ATOM 654 CG MET A 46 -1.055 -1.683 -5.179 1.00 0.00 C ATOM 655 SD MET A 46 -2.241 -0.327 -5.110 1.00 0.00 S ATOM 656 CE MET A 46 -2.764 -0.247 -6.821 1.00 0.00 C ATOM 0 H MET A 46 0.939 -3.371 -4.599 1.00 0.00 H new ATOM 0 HA MET A 46 0.491 -2.660 -7.269 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.907 -0.911 -4.811 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.196 -0.376 -6.321 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.437 -2.461 -5.840 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.958 -2.126 -4.188 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.189 0.736 -7.026 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.906 -0.414 -7.472 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.516 -1.013 -7.008 1.00 0.00 H new ATOM 666 N VAL A 47 3.288 -1.409 -6.001 1.00 0.00 N ATOM 667 CA VAL A 47 4.592 -0.866 -6.360 1.00 0.00 C ATOM 668 C VAL A 47 5.246 -1.690 -7.463 1.00 0.00 C ATOM 669 O VAL A 47 5.791 -1.142 -8.423 1.00 0.00 O ATOM 670 CB VAL A 47 5.534 -0.818 -5.143 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.911 -0.319 -5.552 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.945 0.058 -4.048 1.00 0.00 C ATOM 0 H VAL A 47 3.122 -1.477 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 47 4.424 0.149 -6.720 1.00 0.00 H new ATOM 0 HB VAL A 47 5.642 -1.829 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.562 -0.292 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.334 -0.990 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.825 0.683 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.624 0.081 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.805 1.070 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.983 -0.348 -3.735 1.00 0.00 H new ATOM 682 N HIS A 48 5.189 -3.010 -7.321 1.00 0.00 N ATOM 683 CA HIS A 48 5.776 -3.911 -8.307 1.00 0.00 C ATOM 684 C HIS A 48 4.906 -3.988 -9.558 1.00 0.00 C ATOM 685 O HIS A 48 5.414 -4.104 -10.674 1.00 0.00 O ATOM 686 CB HIS A 48 5.955 -5.307 -7.710 1.00 0.00 C ATOM 687 CG HIS A 48 7.102 -5.407 -6.752 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.420 -5.433 -7.157 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.123 -5.484 -5.401 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.202 -5.525 -6.096 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.440 -5.557 -5.018 1.00 0.00 N ATOM 0 H HIS A 48 4.743 -3.480 -6.533 1.00 0.00 H new ATOM 0 HA HIS A 48 6.752 -3.516 -8.588 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.037 -5.594 -7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.104 -6.022 -8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.264 -5.487 -4.746 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.281 -5.567 -6.108 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.775 -5.625 -4.057 1.00 0.00 H new ATOM 699 N LYS A 49 3.593 -3.922 -9.365 1.00 0.00 N ATOM 700 CA LYS A 49 2.652 -3.983 -10.477 1.00 0.00 C ATOM 701 C LYS A 49 2.766 -2.741 -11.356 1.00 0.00 C ATOM 702 O LYS A 49 3.227 -2.815 -12.496 1.00 0.00 O ATOM 703 CB LYS A 49 1.221 -4.121 -9.954 1.00 0.00 C ATOM 704 CG LYS A 49 0.279 -4.805 -10.930 1.00 0.00 C ATOM 705 CD LYS A 49 -1.105 -4.992 -10.331 1.00 0.00 C ATOM 706 CE LYS A 49 -1.979 -3.768 -10.557 1.00 0.00 C ATOM 707 NZ LYS A 49 -3.426 -4.120 -10.600 1.00 0.00 N ATOM 0 H LYS A 49 3.156 -3.826 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 49 2.898 -4.857 -11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.237 -4.685 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.832 -3.130 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.205 -4.212 -11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.688 -5.775 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.580 -5.867 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.017 -5.185 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.805 -3.045 -9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.694 -3.286 -11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.988 -3.259 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.597 -4.790 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.704 -4.557 -9.698 1.00 0.00 H new ATOM 721 N HIS A 50 2.346 -1.601 -10.818 1.00 0.00 N ATOM 722 CA HIS A 50 2.403 -0.342 -11.553 1.00 0.00 C ATOM 723 C HIS A 50 3.786 0.291 -11.438 1.00 0.00 C ATOM 724 O HIS A 50 3.940 1.503 -11.589 1.00 0.00 O ATOM 725 CB HIS A 50 1.341 0.626 -11.032 1.00 0.00 C ATOM 726 CG HIS A 50 -0.063 0.172 -11.290 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.741 0.450 -12.457 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.915 -0.548 -10.523 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.951 -0.077 -12.397 1.00 0.00 C ATOM 730 NE2 HIS A 50 -2.082 -0.689 -11.234 1.00 0.00 N ATOM 0 H HIS A 50 1.963 -1.523 -9.876 1.00 0.00 H new ATOM 0 HA HIS A 50 2.206 -0.554 -12.604 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.479 0.760 -9.959 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.490 1.600 -11.497 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.715 -0.939 -9.536 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.705 -0.017 -13.168 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.914 -1.186 -10.916 1.00 0.00 H new ATOM 738 N GLY A 51 4.791 -0.537 -11.170 1.00 0.00 N ATOM 739 CA GLY A 51 6.148 -0.039 -11.039 1.00 0.00 C ATOM 740 C GLY A 51 6.199 1.355 -10.447 1.00 0.00 C ATOM 741 O GLY A 51 6.948 2.211 -10.920 1.00 0.00 O ATOM 0 H GLY A 51 4.690 -1.544 -11.041 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.722 -0.719 -10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.625 -0.032 -12.019 1.00 0.00 H new ATOM 745 N LEU A 52 5.401 1.587 -9.412 1.00 0.00 N ATOM 746 CA LEU A 52 5.356 2.889 -8.755 1.00 0.00 C ATOM 747 C LEU A 52 6.744 3.307 -8.280 1.00 0.00 C ATOM 748 O LEU A 52 7.349 2.641 -7.440 1.00 0.00 O ATOM 749 CB LEU A 52 4.389 2.852 -7.571 1.00 0.00 C ATOM 750 CG LEU A 52 2.995 2.293 -7.859 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.296 1.908 -6.565 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.165 3.305 -8.635 1.00 0.00 C ATOM 0 H LEU A 52 4.775 0.890 -9.008 1.00 0.00 H new ATOM 0 HA LEU A 52 5.004 3.623 -9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.840 2.256 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.279 3.866 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 52 3.103 1.397 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.306 1.512 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.881 1.148 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.199 2.787 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.176 2.891 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.066 4.219 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.658 3.531 -9.581 1.00 0.00 H new ATOM 764 N GLU A 53 7.242 4.414 -8.823 1.00 0.00 N ATOM 765 CA GLU A 53 8.558 4.920 -8.453 1.00 0.00 C ATOM 766 C GLU A 53 8.486 5.728 -7.161 1.00 0.00 C ATOM 767 O GLU A 53 7.411 5.916 -6.591 1.00 0.00 O ATOM 768 CB GLU A 53 9.130 5.786 -9.578 1.00 0.00 C ATOM 769 CG GLU A 53 9.529 4.994 -10.812 1.00 0.00 C ATOM 770 CD GLU A 53 10.085 5.874 -11.915 1.00 0.00 C ATOM 771 OE1 GLU A 53 9.613 7.022 -12.052 1.00 0.00 O ATOM 772 OE2 GLU A 53 10.992 5.415 -12.640 1.00 0.00 O ATOM 0 H GLU A 53 6.754 4.977 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 53 9.216 4.066 -8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.390 6.535 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.001 6.324 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.275 4.249 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.661 4.452 -11.187 1.00 0.00 H new ATOM 779 N PHE A 54 9.639 6.204 -6.702 1.00 0.00 N ATOM 780 CA PHE A 54 9.709 6.991 -5.477 1.00 0.00 C ATOM 781 C PHE A 54 8.462 7.855 -5.314 1.00 0.00 C ATOM 782 O PHE A 54 7.756 7.762 -4.309 1.00 0.00 O ATOM 783 CB PHE A 54 10.958 7.874 -5.483 1.00 0.00 C ATOM 784 CG PHE A 54 10.930 8.960 -4.445 1.00 0.00 C ATOM 785 CD1 PHE A 54 11.279 8.690 -3.131 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.554 10.250 -4.783 1.00 0.00 C ATOM 787 CE1 PHE A 54 11.254 9.687 -2.174 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.527 11.251 -3.831 1.00 0.00 C ATOM 789 CZ PHE A 54 10.877 10.969 -2.524 1.00 0.00 C ATOM 0 H PHE A 54 10.538 6.058 -7.161 1.00 0.00 H new ATOM 0 HA PHE A 54 9.765 6.301 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.836 7.249 -5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.068 8.327 -6.468 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.574 7.689 -2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.279 10.476 -5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.529 9.464 -1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.233 12.253 -4.108 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.856 11.749 -1.778 1.00 0.00 H new ATOM 799 N TYR A 55 8.198 8.696 -6.308 1.00 0.00 N ATOM 800 CA TYR A 55 7.039 9.579 -6.275 1.00 0.00 C ATOM 801 C TYR A 55 5.752 8.799 -6.525 1.00 0.00 C ATOM 802 O TYR A 55 4.748 9.000 -5.843 1.00 0.00 O ATOM 803 CB TYR A 55 7.187 10.689 -7.317 1.00 0.00 C ATOM 804 CG TYR A 55 8.054 11.839 -6.858 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.663 12.651 -5.801 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.266 12.113 -7.481 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.452 13.704 -5.379 1.00 0.00 C ATOM 808 CE2 TYR A 55 10.062 13.163 -7.064 1.00 0.00 C ATOM 809 CZ TYR A 55 9.650 13.955 -6.013 1.00 0.00 C ATOM 810 OH TYR A 55 10.440 15.002 -5.595 1.00 0.00 O ATOM 0 H TYR A 55 8.772 8.784 -7.147 1.00 0.00 H new ATOM 0 HA TYR A 55 6.984 10.027 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.611 10.266 -8.228 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.198 11.070 -7.573 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.726 12.456 -5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.591 11.495 -8.305 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.132 14.327 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 55 11.001 13.362 -7.558 1.00 0.00 H new ATOM 0 HH TYR A 55 11.250 15.041 -6.146 1.00 0.00 H new ATOM 820 N GLY A 56 5.791 7.906 -7.510 1.00 0.00 N ATOM 821 CA GLY A 56 4.623 7.108 -7.834 1.00 0.00 C ATOM 822 C GLY A 56 3.925 6.574 -6.599 1.00 0.00 C ATOM 823 O GLY A 56 2.732 6.809 -6.401 1.00 0.00 O ATOM 0 H GLY A 56 6.610 7.721 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.923 7.712 -8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.922 6.273 -8.468 1.00 0.00 H new ATOM 827 N TYR A 57 4.667 5.853 -5.767 1.00 0.00 N ATOM 828 CA TYR A 57 4.111 5.280 -4.547 1.00 0.00 C ATOM 829 C TYR A 57 3.318 6.325 -3.767 1.00 0.00 C ATOM 830 O TYR A 57 2.228 6.046 -3.268 1.00 0.00 O ATOM 831 CB TYR A 57 5.228 4.712 -3.670 1.00 0.00 C ATOM 832 CG TYR A 57 4.814 4.484 -2.234 1.00 0.00 C ATOM 833 CD1 TYR A 57 4.008 3.407 -1.885 1.00 0.00 C ATOM 834 CD2 TYR A 57 5.226 5.347 -1.226 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.627 3.195 -0.575 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.851 5.142 0.088 1.00 0.00 C ATOM 837 CZ TYR A 57 4.051 4.065 0.408 1.00 0.00 C ATOM 838 OH TYR A 57 3.673 3.858 1.715 1.00 0.00 O ATOM 0 H TYR A 57 5.656 5.651 -5.915 1.00 0.00 H new ATOM 0 HA TYR A 57 3.435 4.473 -4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.568 3.768 -4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.077 5.395 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.674 2.724 -2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.850 6.193 -1.474 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.000 2.353 -0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.182 5.821 0.860 1.00 0.00 H new ATOM 0 HH TYR A 57 3.933 4.632 2.257 1.00 0.00 H new ATOM 848 N ILE A 58 3.874 7.527 -3.668 1.00 0.00 N ATOM 849 CA ILE A 58 3.219 8.614 -2.952 1.00 0.00 C ATOM 850 C ILE A 58 1.843 8.909 -3.538 1.00 0.00 C ATOM 851 O ILE A 58 0.865 9.067 -2.808 1.00 0.00 O ATOM 852 CB ILE A 58 4.065 9.901 -2.985 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.479 9.621 -2.470 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.401 10.993 -2.159 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.427 10.787 -2.644 1.00 0.00 C ATOM 0 H ILE A 58 4.777 7.773 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 58 3.108 8.288 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 58 4.136 10.246 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.427 9.360 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.882 8.754 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.011 11.896 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.413 11.207 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.303 10.659 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.410 10.518 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.509 11.035 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.046 11.650 -2.098 1.00 0.00 H new ATOM 867 N LYS A 59 1.774 8.980 -4.863 1.00 0.00 N ATOM 868 CA LYS A 59 0.517 9.253 -5.551 1.00 0.00 C ATOM 869 C LYS A 59 -0.511 8.165 -5.256 1.00 0.00 C ATOM 870 O LYS A 59 -1.684 8.455 -5.018 1.00 0.00 O ATOM 871 CB LYS A 59 0.749 9.354 -7.060 1.00 0.00 C ATOM 872 CG LYS A 59 1.580 10.559 -7.468 1.00 0.00 C ATOM 873 CD LYS A 59 1.740 10.641 -8.977 1.00 0.00 C ATOM 874 CE LYS A 59 3.007 11.388 -9.363 1.00 0.00 C ATOM 875 NZ LYS A 59 3.343 11.203 -10.802 1.00 0.00 N ATOM 0 H LYS A 59 2.574 8.852 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 59 0.130 10.204 -5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.246 8.447 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.216 9.400 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.106 11.470 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.563 10.500 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.767 9.635 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.874 11.143 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.881 12.450 -9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.836 11.038 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.213 11.728 -11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.489 10.192 -10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.563 11.560 -11.389 1.00 0.00 H new ATOM 889 N LEU A 60 -0.064 6.915 -5.273 1.00 0.00 N ATOM 890 CA LEU A 60 -0.946 5.783 -5.006 1.00 0.00 C ATOM 891 C LEU A 60 -1.627 5.932 -3.649 1.00 0.00 C ATOM 892 O LEU A 60 -2.818 5.657 -3.508 1.00 0.00 O ATOM 893 CB LEU A 60 -0.156 4.474 -5.052 1.00 0.00 C ATOM 894 CG LEU A 60 -0.958 3.197 -4.800 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.306 3.067 -3.325 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.220 3.183 -5.650 1.00 0.00 C ATOM 0 H LEU A 60 0.904 6.659 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.715 5.763 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.319 4.394 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.643 4.529 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.343 2.343 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.877 2.152 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.389 3.030 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.902 3.925 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.778 2.267 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.838 4.044 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.949 3.228 -6.705 1.00 0.00 H new ATOM 908 N ILE A 61 -0.863 6.372 -2.654 1.00 0.00 N ATOM 909 CA ILE A 61 -1.393 6.561 -1.310 1.00 0.00 C ATOM 910 C ILE A 61 -2.426 7.682 -1.279 1.00 0.00 C ATOM 911 O ILE A 61 -3.598 7.453 -0.986 1.00 0.00 O ATOM 912 CB ILE A 61 -0.274 6.881 -0.303 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.698 5.704 -0.196 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.865 7.212 1.060 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.052 4.430 0.303 1.00 0.00 C ATOM 0 H ILE A 61 0.125 6.604 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.870 5.623 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 61 0.276 7.752 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.140 5.518 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.513 5.976 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.061 7.436 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.521 8.078 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.437 6.359 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.800 3.639 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.366 4.599 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.744 4.134 -0.380 1.00 0.00 H new ATOM 927 N ASN A 62 -1.981 8.897 -1.585 1.00 0.00 N ATOM 928 CA ASN A 62 -2.867 10.055 -1.594 1.00 0.00 C ATOM 929 C ASN A 62 -4.096 9.794 -2.461 1.00 0.00 C ATOM 930 O ASN A 62 -5.205 10.212 -2.126 1.00 0.00 O ATOM 931 CB ASN A 62 -2.122 11.290 -2.106 1.00 0.00 C ATOM 932 CG ASN A 62 -1.157 11.850 -1.078 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.516 12.049 0.083 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.075 12.106 -1.502 1.00 0.00 N ATOM 0 H ASN A 62 -1.013 9.105 -1.830 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.197 10.236 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.574 11.031 -3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.844 12.059 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.769 12.483 -0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.328 11.925 -2.473 1.00 0.00 H new ATOM 941 N PHE A 63 -3.890 9.100 -3.575 1.00 0.00 N ATOM 942 CA PHE A 63 -4.981 8.783 -4.490 1.00 0.00 C ATOM 943 C PHE A 63 -6.168 8.189 -3.737 1.00 0.00 C ATOM 944 O PHE A 63 -7.308 8.615 -3.921 1.00 0.00 O ATOM 945 CB PHE A 63 -4.504 7.804 -5.565 1.00 0.00 C ATOM 946 CG PHE A 63 -5.588 6.899 -6.076 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.559 7.378 -6.940 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.637 5.569 -5.691 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.559 6.548 -7.412 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.633 4.734 -6.159 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.596 5.224 -7.020 1.00 0.00 C ATOM 0 H PHE A 63 -2.979 8.746 -3.866 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.302 9.709 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.089 8.368 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.696 7.196 -5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.535 8.413 -7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.888 5.181 -5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.310 6.934 -8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.659 3.699 -5.852 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.376 4.573 -7.386 1.00 0.00 H new ATOM 961 N ILE A 64 -5.890 7.204 -2.889 1.00 0.00 N ATOM 962 CA ILE A 64 -6.934 6.553 -2.108 1.00 0.00 C ATOM 963 C ILE A 64 -7.494 7.493 -1.046 1.00 0.00 C ATOM 964 O ILE A 64 -8.665 7.403 -0.678 1.00 0.00 O ATOM 965 CB ILE A 64 -6.411 5.276 -1.423 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.761 4.349 -2.453 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.542 4.562 -0.698 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.235 3.061 -1.858 1.00 0.00 C ATOM 0 H ILE A 64 -4.951 6.840 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.727 6.283 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.657 5.558 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.490 4.111 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.941 4.877 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.156 3.662 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.964 5.223 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.317 4.289 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.788 2.453 -2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.482 3.289 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.056 2.512 -1.397 1.00 0.00 H new ATOM 980 N ARG A 65 -6.649 8.395 -0.558 1.00 0.00 N ATOM 981 CA ARG A 65 -7.059 9.353 0.462 1.00 0.00 C ATOM 982 C ARG A 65 -8.049 10.364 -0.109 1.00 0.00 C ATOM 983 O ARG A 65 -8.967 10.809 0.582 1.00 0.00 O ATOM 984 CB ARG A 65 -5.839 10.082 1.028 1.00 0.00 C ATOM 985 CG ARG A 65 -4.765 9.148 1.562 1.00 0.00 C ATOM 986 CD ARG A 65 -5.201 8.481 2.857 1.00 0.00 C ATOM 987 NE ARG A 65 -4.067 8.185 3.729 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.185 7.595 4.913 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.379 7.238 5.364 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.105 7.359 5.648 1.00 0.00 N ATOM 0 H ARG A 65 -5.676 8.483 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.550 8.803 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.408 10.710 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.163 10.746 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.541 8.385 0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.845 9.708 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.902 9.131 3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.733 7.558 2.628 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.134 8.446 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.211 7.416 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.466 6.785 6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.184 7.631 5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.196 6.906 6.557 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.857 10.724 -1.373 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.732 11.683 -2.038 1.00 0.00 C ATOM 1006 C LEU A 66 -9.921 10.979 -2.684 1.00 0.00 C ATOM 1007 O LEU A 66 -11.075 11.290 -2.391 1.00 0.00 O ATOM 1008 CB LEU A 66 -7.953 12.467 -3.095 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.589 13.776 -3.564 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.517 14.797 -3.909 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.498 13.529 -4.759 1.00 0.00 C ATOM 0 H LEU A 66 -7.102 10.366 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.109 12.376 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.963 12.690 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.810 11.824 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.193 14.176 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.989 15.722 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.907 14.996 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.885 14.406 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.942 14.472 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.916 13.105 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.288 12.833 -4.477 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.631 10.026 -3.563 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.674 9.274 -4.250 1.00 0.00 C ATOM 1025 C LYS A 67 -11.452 8.402 -3.268 1.00 0.00 C ATOM 1026 O LYS A 67 -12.677 8.475 -3.195 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.064 8.402 -5.349 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.727 9.168 -6.617 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.974 9.483 -7.426 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.623 10.076 -8.782 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.817 10.651 -9.462 1.00 0.00 N ATOM 0 H LYS A 67 -8.681 9.756 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.363 9.987 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.158 7.932 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.761 7.600 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.216 10.095 -6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.036 8.583 -7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.558 8.573 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.601 10.182 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.869 10.852 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.182 9.304 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.536 11.045 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.527 9.905 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.223 11.405 -8.872 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.730 7.579 -2.515 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.352 6.694 -1.536 1.00 0.00 C ATOM 1047 C ASN A 68 -12.135 5.583 -2.229 1.00 0.00 C ATOM 1048 O ASN A 68 -13.284 5.296 -1.893 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.281 7.490 -0.616 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.615 8.733 -0.058 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.752 9.825 -0.609 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -10.888 8.571 1.042 1.00 0.00 N ATOM 0 H ASN A 68 -9.714 7.506 -2.564 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.561 6.240 -0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.176 7.777 -1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.605 6.854 0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.416 9.371 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.802 7.647 1.465 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.498 4.940 -3.220 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.115 3.849 -3.980 1.00 0.00 C ATOM 1061 C PRO A 69 -12.292 2.587 -3.142 1.00 0.00 C ATOM 1062 O PRO A 69 -12.197 2.624 -1.915 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.120 3.601 -5.116 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.812 4.074 -4.584 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.128 5.229 -3.674 1.00 0.00 C ATOM 0 HA PRO A 69 -13.118 4.106 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.080 2.545 -5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.402 4.147 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.301 3.279 -4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.151 4.384 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.431 5.284 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.071 6.182 -4.200 1.00 0.00 H new ATOM 1073 N THR A 70 -12.550 1.468 -3.813 1.00 0.00 N ATOM 1074 CA THR A 70 -12.740 0.195 -3.130 1.00 0.00 C ATOM 1075 C THR A 70 -11.735 -0.845 -3.615 1.00 0.00 C ATOM 1076 O THR A 70 -11.287 -0.803 -4.760 1.00 0.00 O ATOM 1077 CB THR A 70 -14.166 -0.349 -3.343 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.340 -1.568 -2.612 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.437 -0.594 -4.820 1.00 0.00 C ATOM 0 H THR A 70 -12.632 1.418 -4.828 1.00 0.00 H new ATOM 0 HA THR A 70 -12.584 0.380 -2.067 1.00 0.00 H new ATOM 0 HB THR A 70 -14.873 0.396 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.249 -1.906 -2.751 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.449 -0.978 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.333 0.342 -5.369 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.723 -1.322 -5.205 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.385 -1.777 -2.735 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.434 -2.829 -3.074 1.00 0.00 C ATOM 1089 C VAL A 71 -10.666 -3.345 -4.490 1.00 0.00 C ATOM 1090 O VAL A 71 -9.752 -3.355 -5.314 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.528 -4.009 -2.088 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.543 -5.104 -2.470 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.283 -3.534 -0.664 1.00 0.00 C ATOM 0 H VAL A 71 -11.746 -1.825 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.439 -2.389 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.535 -4.424 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.624 -5.929 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.770 -5.463 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.529 -4.705 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.353 -4.381 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.289 -3.092 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.031 -2.788 -0.395 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.895 -3.771 -4.765 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.246 -4.288 -6.082 1.00 0.00 C ATOM 1105 C GLU A 72 -11.638 -3.426 -7.185 1.00 0.00 C ATOM 1106 O GLU A 72 -11.022 -3.938 -8.119 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.767 -4.344 -6.243 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.399 -5.580 -5.625 1.00 0.00 C ATOM 1109 CD GLU A 72 -14.001 -6.858 -6.338 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -14.342 -7.002 -7.531 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.350 -7.713 -5.703 1.00 0.00 O ATOM 0 H GLU A 72 -12.663 -3.768 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.841 -5.296 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.205 -3.456 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.013 -4.312 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.107 -5.647 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.484 -5.479 -5.648 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.818 -2.115 -7.069 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.290 -1.181 -8.057 1.00 0.00 C ATOM 1120 C TYR A 73 -9.766 -1.225 -8.089 1.00 0.00 C ATOM 1121 O TYR A 73 -9.158 -1.305 -9.156 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.764 0.240 -7.750 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.166 1.288 -8.661 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -9.943 1.878 -8.366 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -11.824 1.689 -9.817 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -9.393 2.836 -9.195 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -11.281 2.645 -10.653 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.066 3.216 -10.338 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.522 4.170 -11.168 1.00 0.00 O ATOM 0 H TYR A 73 -12.325 -1.675 -6.301 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.664 -1.478 -9.037 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.850 0.277 -7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.513 0.483 -6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.413 1.582 -7.473 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.777 1.245 -10.066 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.442 3.285 -8.950 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.805 2.944 -11.549 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.121 4.322 -11.929 1.00 0.00 H new ATOM 1139 N MET A 74 -9.154 -1.173 -6.910 1.00 0.00 N ATOM 1140 CA MET A 74 -7.700 -1.209 -6.801 1.00 0.00 C ATOM 1141 C MET A 74 -7.113 -2.280 -7.715 1.00 0.00 C ATOM 1142 O MET A 74 -6.041 -2.098 -8.291 1.00 0.00 O ATOM 1143 CB MET A 74 -7.282 -1.473 -5.354 1.00 0.00 C ATOM 1144 CG MET A 74 -7.603 -0.325 -4.410 1.00 0.00 C ATOM 1145 SD MET A 74 -7.001 1.262 -5.016 1.00 0.00 S ATOM 1146 CE MET A 74 -5.239 0.951 -5.087 1.00 0.00 C ATOM 0 H MET A 74 -9.642 -1.106 -6.017 1.00 0.00 H new ATOM 0 HA MET A 74 -7.313 -0.239 -7.112 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.781 -2.375 -4.999 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.210 -1.669 -5.324 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.682 -0.269 -4.266 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.162 -0.528 -3.434 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.741 1.788 -5.577 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.848 0.838 -4.076 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.053 0.038 -5.652 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.823 -3.396 -7.844 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.371 -4.497 -8.688 1.00 0.00 C ATOM 1158 C ASN A 75 -7.686 -4.222 -10.155 1.00 0.00 C ATOM 1159 O ASN A 75 -6.908 -4.568 -11.043 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.030 -5.806 -8.250 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.525 -6.285 -6.902 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.340 -6.159 -6.590 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.423 -6.838 -6.096 1.00 0.00 N ATOM 0 H ASN A 75 -8.713 -3.562 -7.375 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.290 -4.587 -8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.110 -5.668 -8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.840 -6.574 -9.000 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.142 -7.179 -5.177 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.394 -6.922 -6.396 1.00 0.00 H new ATOM 1170 N SER A 76 -8.833 -3.597 -10.401 1.00 0.00 N ATOM 1171 CA SER A 76 -9.253 -3.278 -11.761 1.00 0.00 C ATOM 1172 C SER A 76 -8.811 -1.870 -12.150 1.00 0.00 C ATOM 1173 O SER A 76 -9.613 -0.936 -12.156 1.00 0.00 O ATOM 1174 CB SER A 76 -10.773 -3.401 -11.890 1.00 0.00 C ATOM 1175 OG SER A 76 -11.433 -2.491 -11.028 1.00 0.00 O ATOM 0 H SER A 76 -9.488 -3.302 -9.677 1.00 0.00 H new ATOM 0 HA SER A 76 -8.779 -3.989 -12.438 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.070 -3.211 -12.921 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.080 -4.420 -11.653 1.00 0.00 H new ATOM 0 HG SER A 76 -11.014 -1.608 -11.102 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.531 -1.728 -12.475 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.982 -0.436 -12.867 1.00 0.00 C ATOM 1183 C ILE A 77 -6.094 -0.567 -14.100 1.00 0.00 C ATOM 1184 O ILE A 77 -5.476 -1.608 -14.325 1.00 0.00 O ATOM 1185 CB ILE A 77 -6.165 0.198 -11.725 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -7.099 0.735 -10.638 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.276 1.309 -12.263 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -6.391 1.561 -9.587 1.00 0.00 C ATOM 0 H ILE A 77 -6.855 -2.491 -12.475 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.829 0.210 -13.099 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.528 -0.569 -11.284 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.875 1.343 -11.104 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.599 -0.103 -10.153 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.705 1.747 -11.444 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.590 0.899 -13.005 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.894 2.078 -12.726 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.114 1.908 -8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.634 0.951 -9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.914 2.420 -10.060 1.00 0.00 H new ATOM 1200 N TYR A 78 -6.034 0.496 -14.894 1.00 0.00 N ATOM 1201 CA TYR A 78 -5.222 0.501 -16.105 1.00 0.00 C ATOM 1202 C TYR A 78 -4.628 1.883 -16.358 1.00 0.00 C ATOM 1203 O TYR A 78 -4.981 2.854 -15.690 1.00 0.00 O ATOM 1204 CB TYR A 78 -6.060 0.065 -17.308 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.146 -1.435 -17.475 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.101 -2.177 -16.790 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -5.272 -2.111 -18.317 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -7.182 -3.548 -16.939 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -5.347 -3.482 -18.473 1.00 0.00 C ATOM 1210 CZ TYR A 78 -6.304 -4.195 -17.782 1.00 0.00 C ATOM 1211 OH TYR A 78 -6.381 -5.561 -17.934 1.00 0.00 O ATOM 0 H TYR A 78 -6.538 1.366 -14.721 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.404 -0.205 -15.966 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.067 0.469 -17.204 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.635 0.499 -18.213 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.792 -1.673 -16.130 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.521 -1.555 -18.859 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.929 -4.110 -16.398 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.660 -3.992 -19.132 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.692 -5.859 -18.564 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.724 1.963 -17.329 1.00 0.00 N ATOM 1222 CA ASN A 79 -3.081 3.226 -17.672 1.00 0.00 C ATOM 1223 C ASN A 79 -3.897 3.988 -18.711 1.00 0.00 C ATOM 1224 O ASN A 79 -4.459 3.410 -19.641 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.667 2.975 -18.202 1.00 0.00 C ATOM 1226 CG ASN A 79 -1.591 1.743 -19.083 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -0.993 0.734 -18.708 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -2.197 1.821 -20.262 1.00 0.00 N ATOM 0 H ASN A 79 -3.420 1.168 -17.892 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.021 3.832 -16.768 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.334 3.845 -18.769 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.982 2.861 -17.362 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.179 1.024 -20.899 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.681 2.678 -20.531 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.965 5.318 -18.551 1.00 0.00 N ATOM 1236 CA PRO A 80 -3.301 6.018 -17.447 1.00 0.00 C ATOM 1237 C PRO A 80 -3.952 5.724 -16.099 1.00 0.00 C ATOM 1238 O PRO A 80 -5.176 5.662 -15.990 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.469 7.495 -17.811 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.684 7.537 -18.672 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.696 6.242 -19.435 1.00 0.00 C ATOM 0 HA PRO A 80 -2.262 5.708 -17.334 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.594 8.111 -16.920 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.595 7.874 -18.341 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.586 7.643 -18.069 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.652 8.389 -19.351 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.712 5.897 -19.625 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.207 6.342 -20.404 1.00 0.00 H new ATOM 1249 N VAL A 81 -3.124 5.544 -15.075 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.620 5.258 -13.733 1.00 0.00 C ATOM 1251 C VAL A 81 -4.401 6.441 -13.173 1.00 0.00 C ATOM 1252 O VAL A 81 -4.165 7.596 -13.526 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.467 4.916 -12.771 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.732 3.669 -13.240 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.512 6.093 -12.644 1.00 0.00 C ATOM 0 H VAL A 81 -2.108 5.591 -15.148 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.282 4.396 -13.816 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.887 4.712 -11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.921 3.443 -12.548 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.426 2.829 -13.273 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.322 3.841 -14.235 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.704 5.834 -11.960 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.097 6.332 -13.623 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.050 6.958 -12.257 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.355 6.148 -12.276 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.190 7.175 -11.645 1.00 0.00 C ATOM 1267 C PRO A 82 -5.404 8.045 -10.671 1.00 0.00 C ATOM 1268 O PRO A 82 -5.957 8.951 -10.048 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.250 6.360 -10.899 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.602 5.044 -10.639 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.690 4.793 -11.808 1.00 0.00 C ATOM 0 HA PRO A 82 -6.603 7.870 -12.376 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.543 6.848 -9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.154 6.245 -11.497 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.042 5.063 -9.704 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.347 4.253 -10.548 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.800 4.239 -11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.184 4.210 -12.585 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.112 7.763 -10.545 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.249 8.522 -9.646 1.00 0.00 C ATOM 1281 C TRP A 83 -2.073 9.128 -10.403 1.00 0.00 C ATOM 1282 O TRP A 83 -1.076 9.527 -9.801 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.737 7.623 -8.518 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.828 6.531 -8.995 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.542 6.669 -9.434 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.137 5.136 -9.083 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.034 5.443 -9.790 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -0.992 4.486 -9.582 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.269 4.372 -8.786 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -0.949 3.110 -9.792 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.225 3.007 -8.994 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.071 2.387 -9.492 1.00 0.00 C ATOM 0 H TRP A 83 -3.639 7.016 -11.053 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.837 9.333 -9.217 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.207 8.235 -7.788 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.588 7.178 -8.003 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.004 7.604 -9.493 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.905 5.273 -10.151 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.163 4.841 -8.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.061 2.631 -10.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.095 2.407 -8.769 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.067 1.317 -9.642 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.197 9.195 -11.725 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.142 9.753 -12.563 1.00 0.00 C ATOM 1305 C GLU A 84 -1.234 11.276 -12.612 1.00 0.00 C ATOM 1306 O GLU A 84 -1.042 11.887 -13.663 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.228 9.180 -13.979 1.00 0.00 C ATOM 1308 CG GLU A 84 0.125 9.014 -14.651 1.00 0.00 C ATOM 1309 CD GLU A 84 0.731 10.337 -15.077 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.450 10.950 -14.260 1.00 0.00 O ATOM 1311 OE2 GLU A 84 0.487 10.759 -16.226 1.00 0.00 O ATOM 0 H GLU A 84 -3.017 8.870 -12.238 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.182 9.478 -12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.727 8.211 -13.940 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.850 9.834 -14.590 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.807 8.510 -13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.016 8.371 -15.524 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.531 11.882 -11.467 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.649 13.332 -11.377 1.00 0.00 C ATOM 1320 C LYS A 85 -0.712 13.889 -10.310 1.00 0.00 C ATOM 1321 O LYS A 85 -0.499 13.265 -9.271 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.093 13.728 -11.061 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.115 13.089 -11.984 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.396 13.962 -13.196 1.00 0.00 C ATOM 1325 CE LYS A 85 -3.474 13.619 -14.356 1.00 0.00 C ATOM 1326 NZ LYS A 85 -3.552 14.632 -15.445 1.00 0.00 N ATOM 0 H LYS A 85 -1.694 11.391 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.366 13.755 -12.341 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.320 13.449 -10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.186 14.812 -11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.751 12.115 -12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.042 12.915 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.434 13.835 -13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.270 15.011 -12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.447 13.551 -13.996 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.738 12.639 -14.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.909 14.362 -16.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.526 14.679 -15.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.275 15.563 -15.073 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.158 15.068 -10.573 1.00 0.00 N ATOM 1341 CA ASP A 86 0.754 15.710 -9.633 1.00 0.00 C ATOM 1342 C ASP A 86 0.034 16.070 -8.337 1.00 0.00 C ATOM 1343 O ASP A 86 0.535 15.807 -7.245 1.00 0.00 O ATOM 1344 CB ASP A 86 1.363 16.966 -10.258 1.00 0.00 C ATOM 1345 CG ASP A 86 1.865 16.725 -11.669 1.00 0.00 C ATOM 1346 OD1 ASP A 86 2.273 15.584 -11.966 1.00 0.00 O ATOM 1347 OD2 ASP A 86 1.850 17.679 -12.475 1.00 0.00 O ATOM 0 H ASP A 86 -0.324 15.598 -11.428 1.00 0.00 H new ATOM 0 HA ASP A 86 1.552 15.005 -9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.617 17.760 -10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.188 17.314 -9.636 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.143 16.674 -8.468 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.930 17.071 -7.307 1.00 0.00 C ATOM 1354 C GLU A 87 -1.876 16.000 -6.221 1.00 0.00 C ATOM 1355 O GLU A 87 -1.786 16.310 -5.032 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.383 17.330 -7.712 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.083 16.107 -8.280 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.488 16.412 -8.763 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -5.699 17.511 -9.317 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -6.376 15.552 -8.586 1.00 0.00 O ATOM 0 H GLU A 87 -1.572 16.899 -9.366 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.503 17.991 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.936 17.684 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.408 18.129 -8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.496 15.709 -9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.126 15.330 -7.517 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.934 14.740 -6.637 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.895 13.623 -5.701 1.00 0.00 C ATOM 1369 C TYR A 88 -0.606 13.641 -4.885 1.00 0.00 C ATOM 1370 O TYR A 88 -0.621 13.415 -3.674 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.017 12.296 -6.453 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.415 12.011 -6.954 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.505 12.053 -6.093 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.646 11.700 -8.288 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.784 11.792 -6.546 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.922 11.439 -8.750 1.00 0.00 C ATOM 1377 CZ TYR A 88 -5.987 11.487 -7.875 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.259 11.226 -8.331 1.00 0.00 O ATOM 0 H TYR A 88 -2.008 14.466 -7.617 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.738 13.725 -5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.331 12.303 -7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.703 11.485 -5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.350 12.294 -5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.814 11.662 -8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.620 11.827 -5.863 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.084 11.199 -9.790 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.234 10.471 -8.955 1.00 0.00 H new ATOM 1388 N LEU A 89 0.508 13.912 -5.556 1.00 0.00 N ATOM 1389 CA LEU A 89 1.807 13.961 -4.895 1.00 0.00 C ATOM 1390 C LEU A 89 1.696 14.620 -3.524 1.00 0.00 C ATOM 1391 O LEU A 89 2.346 14.201 -2.566 1.00 0.00 O ATOM 1392 CB LEU A 89 2.813 14.722 -5.759 1.00 0.00 C ATOM 1393 CG LEU A 89 3.264 14.020 -7.041 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.906 15.014 -7.997 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.228 12.888 -6.718 1.00 0.00 C ATOM 0 H LEU A 89 0.538 14.101 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 89 2.156 12.937 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.375 15.683 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.695 14.932 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 89 2.386 13.595 -7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.220 14.496 -8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.185 15.790 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.774 15.469 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.538 12.400 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.103 13.290 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.734 12.162 -6.072 1.00 0.00 H new ATOM 1407 N LYS A 90 0.865 15.654 -3.436 1.00 0.00 N ATOM 1408 CA LYS A 90 0.665 16.370 -2.182 1.00 0.00 C ATOM 1409 C LYS A 90 0.018 15.467 -1.137 1.00 0.00 C ATOM 1410 O LYS A 90 -0.893 14.692 -1.429 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.206 17.607 -2.411 1.00 0.00 C ATOM 1412 CG LYS A 90 0.529 18.752 -3.088 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.431 19.678 -3.815 1.00 0.00 C ATOM 1414 CE LYS A 90 0.289 20.521 -4.856 1.00 0.00 C ATOM 1415 NZ LYS A 90 0.797 19.694 -5.985 1.00 0.00 N ATOM 0 H LYS A 90 0.319 16.014 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 90 1.641 16.683 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.066 17.328 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.593 17.951 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.088 19.318 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.256 18.352 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.211 19.089 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.924 20.331 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.390 21.282 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.121 21.045 -4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.827 19.815 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.579 18.693 -5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.340 19.996 -6.869 1.00 0.00 H new ATOM 1429 N PRO A 91 0.498 15.567 0.112 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.021 14.768 1.226 1.00 0.00 C ATOM 1431 C PRO A 91 -1.432 15.183 1.630 1.00 0.00 C ATOM 1432 O PRO A 91 -1.623 16.198 2.299 1.00 0.00 O ATOM 1433 CB PRO A 91 0.966 15.056 2.359 1.00 0.00 C ATOM 1434 CG PRO A 91 1.537 16.393 2.033 1.00 0.00 C ATOM 1435 CD PRO A 91 1.583 16.469 0.532 1.00 0.00 C ATOM 0 HA PRO A 91 -0.099 13.712 0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.466 15.065 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.744 14.295 2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.920 17.192 2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.533 16.506 2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.420 17.486 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.548 16.145 0.143 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.417 14.391 1.219 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.810 14.675 1.539 1.00 0.00 C ATOM 1445 C VAL A 92 -3.993 14.916 3.034 1.00 0.00 C ATOM 1446 O VAL A 92 -4.808 15.742 3.446 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.734 13.524 1.100 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.183 13.843 1.435 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.570 13.248 -0.387 1.00 0.00 C ATOM 0 H VAL A 92 -2.276 13.547 0.663 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.082 15.578 0.992 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.450 12.625 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.820 13.018 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.285 13.986 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.484 14.754 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.230 12.432 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.826 14.143 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.536 12.971 -0.594 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.228 14.190 3.842 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.304 14.325 5.292 1.00 0.00 C ATOM 1461 C LEU A 93 -2.044 14.984 5.845 1.00 0.00 C ATOM 1462 O LEU A 93 -1.175 15.415 5.087 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.503 12.954 5.941 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.408 11.979 5.187 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.588 11.104 4.252 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.200 11.122 6.164 1.00 0.00 C ATOM 0 H LEU A 93 -2.548 13.502 3.517 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.157 14.960 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.525 12.488 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.915 13.103 6.939 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.112 12.556 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.249 10.417 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.066 11.732 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.860 10.535 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.839 10.434 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.512 10.554 6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.817 11.763 6.793 1.00 0.00 H new ATOM 1478 N GLU A 94 -1.952 15.056 7.169 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.797 15.661 7.822 1.00 0.00 C ATOM 1480 C GLU A 94 0.113 14.591 8.419 1.00 0.00 C ATOM 1481 O GLU A 94 -0.357 13.567 8.914 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.251 16.629 8.916 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.106 17.210 9.728 1.00 0.00 C ATOM 1484 CD GLU A 94 0.594 18.352 9.016 1.00 0.00 C ATOM 1485 OE1 GLU A 94 1.541 18.080 8.249 1.00 0.00 O ATOM 1486 OE2 GLU A 94 0.194 19.516 9.226 1.00 0.00 O ATOM 0 H GLU A 94 -2.663 14.703 7.810 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.234 16.213 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.811 17.444 8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.935 16.110 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.488 17.564 10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.617 16.424 9.944 1.00 0.00 H new ATOM 1493 N ASP A 95 1.418 14.837 8.368 1.00 0.00 N ATOM 1494 CA ASP A 95 2.394 13.896 8.904 1.00 0.00 C ATOM 1495 C ASP A 95 2.043 12.465 8.510 1.00 0.00 C ATOM 1496 O ASP A 95 1.982 11.574 9.358 1.00 0.00 O ATOM 1497 CB ASP A 95 2.467 14.016 10.427 1.00 0.00 C ATOM 1498 CG ASP A 95 3.763 13.464 10.989 1.00 0.00 C ATOM 1499 OD1 ASP A 95 3.837 12.238 11.215 1.00 0.00 O ATOM 1500 OD2 ASP A 95 4.702 14.259 11.205 1.00 0.00 O ATOM 0 H ASP A 95 1.824 15.680 7.961 1.00 0.00 H new ATOM 0 HA ASP A 95 3.368 14.141 8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.368 15.064 10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.626 13.484 10.871 1.00 0.00 H new ATOM 1505 N ASP A 96 1.813 12.252 7.219 1.00 0.00 N ATOM 1506 CA ASP A 96 1.467 10.929 6.712 1.00 0.00 C ATOM 1507 C ASP A 96 2.655 9.977 6.824 1.00 0.00 C ATOM 1508 O ASP A 96 3.681 10.168 6.170 1.00 0.00 O ATOM 1509 CB ASP A 96 1.007 11.021 5.256 1.00 0.00 C ATOM 1510 CG ASP A 96 0.154 9.837 4.843 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.550 8.689 5.135 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.910 10.059 4.228 1.00 0.00 O ATOM 0 H ASP A 96 1.860 12.978 6.504 1.00 0.00 H new ATOM 0 HA ASP A 96 0.651 10.537 7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.440 11.941 5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.879 11.081 4.605 1.00 0.00 H new ATOM 1517 N LEU A 97 2.509 8.953 7.657 1.00 0.00 N ATOM 1518 CA LEU A 97 3.569 7.971 7.856 1.00 0.00 C ATOM 1519 C LEU A 97 3.795 7.150 6.590 1.00 0.00 C ATOM 1520 O LEU A 97 4.931 6.970 6.148 1.00 0.00 O ATOM 1521 CB LEU A 97 3.222 7.045 9.023 1.00 0.00 C ATOM 1522 CG LEU A 97 2.952 7.729 10.364 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.415 6.728 11.375 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.218 8.392 10.889 1.00 0.00 C ATOM 0 H LEU A 97 1.667 8.781 8.206 1.00 0.00 H new ATOM 0 HA LEU A 97 4.489 8.508 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.341 6.464 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.041 6.339 9.156 1.00 0.00 H new ATOM 0 HG LEU A 97 2.198 8.501 10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.229 7.233 12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.484 6.299 11.003 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.146 5.934 11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.007 8.874 11.844 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.993 7.638 11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.561 9.139 10.173 1.00 0.00 H new ATOM 1536 N LEU A 98 2.707 6.655 6.011 1.00 0.00 N ATOM 1537 CA LEU A 98 2.786 5.854 4.794 1.00 0.00 C ATOM 1538 C LEU A 98 3.677 6.528 3.755 1.00 0.00 C ATOM 1539 O LEU A 98 4.535 5.886 3.148 1.00 0.00 O ATOM 1540 CB LEU A 98 1.387 5.631 4.215 1.00 0.00 C ATOM 1541 CG LEU A 98 0.371 4.975 5.151 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.016 4.992 4.527 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.792 3.551 5.482 1.00 0.00 C ATOM 0 H LEU A 98 1.760 6.794 6.364 1.00 0.00 H new ATOM 0 HA LEU A 98 3.224 4.890 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.989 6.595 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.479 5.014 3.321 1.00 0.00 H new ATOM 0 HG LEU A 98 0.337 5.547 6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.726 4.521 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.319 6.023 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.998 4.444 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.057 3.100 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.855 2.967 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.766 3.564 5.971 1.00 0.00 H new ATOM 1555 N LEU A 99 3.469 7.825 3.557 1.00 0.00 N ATOM 1556 CA LEU A 99 4.255 8.587 2.593 1.00 0.00 C ATOM 1557 C LEU A 99 5.738 8.544 2.945 1.00 0.00 C ATOM 1558 O LEU A 99 6.595 8.536 2.061 1.00 0.00 O ATOM 1559 CB LEU A 99 3.772 10.038 2.546 1.00 0.00 C ATOM 1560 CG LEU A 99 2.672 10.346 1.530 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.445 9.488 1.795 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.310 11.824 1.568 1.00 0.00 C ATOM 0 H LEU A 99 2.763 8.371 4.051 1.00 0.00 H new ATOM 0 HA LEU A 99 4.120 8.133 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.411 10.312 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.628 10.678 2.331 1.00 0.00 H new ATOM 0 HG LEU A 99 3.047 10.109 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.673 9.721 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.714 8.435 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.068 9.692 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.526 12.025 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.955 12.086 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.190 12.420 1.328 1.00 0.00 H new ATOM 1574 N GLN A 100 6.034 8.513 4.240 1.00 0.00 N ATOM 1575 CA GLN A 100 7.414 8.469 4.708 1.00 0.00 C ATOM 1576 C GLN A 100 8.031 7.097 4.455 1.00 0.00 C ATOM 1577 O GLN A 100 9.227 6.983 4.186 1.00 0.00 O ATOM 1578 CB GLN A 100 7.481 8.804 6.199 1.00 0.00 C ATOM 1579 CG GLN A 100 6.954 10.190 6.535 1.00 0.00 C ATOM 1580 CD GLN A 100 7.383 10.660 7.911 1.00 0.00 C ATOM 1581 OE1 GLN A 100 8.576 10.765 8.200 1.00 0.00 O ATOM 1582 NE2 GLN A 100 6.411 10.945 8.769 1.00 0.00 N ATOM 0 H GLN A 100 5.336 8.518 4.984 1.00 0.00 H new ATOM 0 HA GLN A 100 7.984 9.212 4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.909 8.062 6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.515 8.726 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.306 10.900 5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.865 10.184 6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.436 10.844 8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.639 11.265 9.710 1.00 0.00 H new ATOM 1591 N PHE A 101 7.207 6.058 4.543 1.00 0.00 N ATOM 1592 CA PHE A 101 7.672 4.694 4.325 1.00 0.00 C ATOM 1593 C PHE A 101 8.638 4.630 3.145 1.00 0.00 C ATOM 1594 O PHE A 101 8.331 5.105 2.052 1.00 0.00 O ATOM 1595 CB PHE A 101 6.484 3.761 4.077 1.00 0.00 C ATOM 1596 CG PHE A 101 6.887 2.363 3.703 1.00 0.00 C ATOM 1597 CD1 PHE A 101 7.469 2.102 2.473 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.685 1.311 4.581 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.840 0.817 2.126 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.054 0.024 4.240 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.633 -0.224 3.011 1.00 0.00 C ATOM 0 H PHE A 101 6.214 6.135 4.764 1.00 0.00 H new ATOM 0 HA PHE A 101 8.200 4.369 5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.867 3.725 4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.865 4.177 3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.634 2.912 1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.234 1.499 5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.292 0.626 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 101 6.890 -0.787 4.934 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.923 -1.229 2.742 1.00 0.00 H new ATOM 1611 N ASP A 102 9.805 4.039 3.376 1.00 0.00 N ATOM 1612 CA ASP A 102 10.817 3.912 2.333 1.00 0.00 C ATOM 1613 C ASP A 102 10.412 2.857 1.309 1.00 0.00 C ATOM 1614 O ASP A 102 10.559 1.658 1.545 1.00 0.00 O ATOM 1615 CB ASP A 102 12.170 3.552 2.947 1.00 0.00 C ATOM 1616 CG ASP A 102 12.885 4.759 3.522 1.00 0.00 C ATOM 1617 OD1 ASP A 102 12.249 5.519 4.282 1.00 0.00 O ATOM 1618 OD2 ASP A 102 14.081 4.945 3.211 1.00 0.00 O ATOM 0 H ASP A 102 10.074 3.640 4.276 1.00 0.00 H new ATOM 0 HA ASP A 102 10.902 4.872 1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.023 2.812 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.799 3.089 2.187 1.00 0.00 H new ATOM 1623 N VAL A 103 9.899 3.311 0.169 1.00 0.00 N ATOM 1624 CA VAL A 103 9.472 2.407 -0.892 1.00 0.00 C ATOM 1625 C VAL A 103 10.665 1.687 -1.513 1.00 0.00 C ATOM 1626 O VAL A 103 10.536 0.569 -2.009 1.00 0.00 O ATOM 1627 CB VAL A 103 8.708 3.159 -1.997 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.571 4.265 -2.585 1.00 0.00 C ATOM 1629 CG2 VAL A 103 8.253 2.194 -3.081 1.00 0.00 C ATOM 0 H VAL A 103 9.769 4.300 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 103 8.806 1.675 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 103 7.823 3.617 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.014 4.785 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.843 4.971 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.475 3.832 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.715 2.743 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.122 1.705 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.596 1.441 -2.646 1.00 0.00 H new ATOM 1639 N GLU A 104 11.824 2.337 -1.480 1.00 0.00 N ATOM 1640 CA GLU A 104 13.039 1.758 -2.041 1.00 0.00 C ATOM 1641 C GLU A 104 13.256 0.340 -1.521 1.00 0.00 C ATOM 1642 O GLU A 104 13.538 -0.578 -2.290 1.00 0.00 O ATOM 1643 CB GLU A 104 14.250 2.630 -1.700 1.00 0.00 C ATOM 1644 CG GLU A 104 14.139 4.054 -2.216 1.00 0.00 C ATOM 1645 CD GLU A 104 15.493 4.699 -2.445 1.00 0.00 C ATOM 1646 OE1 GLU A 104 16.249 4.853 -1.463 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.796 5.048 -3.605 1.00 0.00 O ATOM 0 H GLU A 104 11.947 3.263 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 104 12.925 1.715 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.377 2.654 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.147 2.171 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.577 4.055 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.572 4.652 -1.503 1.00 0.00 H new ATOM 1654 N ASP A 105 13.124 0.171 -0.210 1.00 0.00 N ATOM 1655 CA ASP A 105 13.305 -1.135 0.414 1.00 0.00 C ATOM 1656 C ASP A 105 12.628 -2.228 -0.406 1.00 0.00 C ATOM 1657 O ASP A 105 13.132 -3.347 -0.505 1.00 0.00 O ATOM 1658 CB ASP A 105 12.744 -1.126 1.837 1.00 0.00 C ATOM 1659 CG ASP A 105 13.197 -2.325 2.646 1.00 0.00 C ATOM 1660 OD1 ASP A 105 14.322 -2.813 2.405 1.00 0.00 O ATOM 1661 OD2 ASP A 105 12.428 -2.776 3.520 1.00 0.00 O ATOM 0 H ASP A 105 12.892 0.921 0.441 1.00 0.00 H new ATOM 0 HA ASP A 105 14.374 -1.346 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.057 -0.212 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.655 -1.110 1.795 1.00 0.00 H new ATOM 1666 N LEU A 106 11.482 -1.897 -0.991 1.00 0.00 N ATOM 1667 CA LEU A 106 10.733 -2.851 -1.802 1.00 0.00 C ATOM 1668 C LEU A 106 11.550 -3.296 -3.011 1.00 0.00 C ATOM 1669 O LEU A 106 11.536 -4.468 -3.385 1.00 0.00 O ATOM 1670 CB LEU A 106 9.413 -2.233 -2.263 1.00 0.00 C ATOM 1671 CG LEU A 106 8.516 -1.665 -1.162 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.184 -1.213 -1.738 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.302 -2.697 -0.064 1.00 0.00 C ATOM 0 H LEU A 106 11.051 -0.975 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 106 10.521 -3.726 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.636 -1.434 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.850 -2.992 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 106 9.012 -0.798 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.560 -0.812 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.355 -0.440 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.681 -2.062 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.662 -2.276 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.827 -3.583 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.264 -2.972 0.370 1.00 0.00 H new ATOM 1685 N TYR A 107 12.262 -2.352 -3.617 1.00 0.00 N ATOM 1686 CA TYR A 107 13.084 -2.646 -4.785 1.00 0.00 C ATOM 1687 C TYR A 107 14.234 -3.580 -4.419 1.00 0.00 C ATOM 1688 O TYR A 107 15.118 -3.219 -3.643 1.00 0.00 O ATOM 1689 CB TYR A 107 13.635 -1.352 -5.386 1.00 0.00 C ATOM 1690 CG TYR A 107 12.584 -0.283 -5.589 1.00 0.00 C ATOM 1691 CD1 TYR A 107 11.249 -0.621 -5.776 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.926 1.063 -5.595 1.00 0.00 C ATOM 1693 CE1 TYR A 107 10.286 0.351 -5.963 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.969 2.042 -5.779 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.651 1.681 -5.963 1.00 0.00 C ATOM 1696 OH TYR A 107 9.695 2.654 -6.149 1.00 0.00 O ATOM 0 H TYR A 107 12.286 -1.377 -3.319 1.00 0.00 H new ATOM 0 HA TYR A 107 12.456 -3.143 -5.524 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.416 -0.962 -4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 107 14.103 -1.577 -6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.960 -1.662 -5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.958 1.349 -5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.253 0.071 -6.108 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.252 3.084 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 107 8.957 2.290 -6.681 1.00 0.00 H new ATOM 1706 N GLU A 108 14.214 -4.782 -4.986 1.00 0.00 N ATOM 1707 CA GLU A 108 15.255 -5.768 -4.721 1.00 0.00 C ATOM 1708 C GLU A 108 16.018 -6.112 -5.997 1.00 0.00 C ATOM 1709 O GLU A 108 15.440 -6.517 -7.006 1.00 0.00 O ATOM 1710 CB GLU A 108 14.645 -7.037 -4.121 1.00 0.00 C ATOM 1711 CG GLU A 108 14.423 -6.955 -2.620 1.00 0.00 C ATOM 1712 CD GLU A 108 13.733 -8.185 -2.064 1.00 0.00 C ATOM 1713 OE1 GLU A 108 12.513 -8.332 -2.288 1.00 0.00 O ATOM 1714 OE2 GLU A 108 14.412 -9.000 -1.406 1.00 0.00 O ATOM 0 H GLU A 108 13.489 -5.096 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 108 15.955 -5.336 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.692 -7.238 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.299 -7.882 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 108 15.383 -6.825 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.824 -6.073 -2.393 1.00 0.00 H new ATOM 1721 N PRO A 109 17.348 -5.945 -5.954 1.00 0.00 N ATOM 1722 CA PRO A 109 18.219 -6.231 -7.097 1.00 0.00 C ATOM 1723 C PRO A 109 18.317 -7.724 -7.392 1.00 0.00 C ATOM 1724 O PRO A 109 18.942 -8.476 -6.643 1.00 0.00 O ATOM 1725 CB PRO A 109 19.578 -5.684 -6.654 1.00 0.00 C ATOM 1726 CG PRO A 109 19.535 -5.724 -5.166 1.00 0.00 C ATOM 1727 CD PRO A 109 18.104 -5.465 -4.785 1.00 0.00 C ATOM 0 HA PRO A 109 17.843 -5.783 -8.017 1.00 0.00 H new ATOM 0 HB2 PRO A 109 20.395 -6.291 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.734 -4.669 -7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 109 19.869 -6.692 -4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 109 20.195 -4.971 -4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 109 17.826 -6.002 -3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.923 -4.407 -4.596 1.00 0.00 H new ATOM 1735 N VAL A 110 17.696 -8.149 -8.488 1.00 0.00 N ATOM 1736 CA VAL A 110 17.715 -9.552 -8.883 1.00 0.00 C ATOM 1737 C VAL A 110 19.063 -9.936 -9.483 1.00 0.00 C ATOM 1738 O VAL A 110 19.138 -10.395 -10.623 1.00 0.00 O ATOM 1739 CB VAL A 110 16.604 -9.863 -9.903 1.00 0.00 C ATOM 1740 CG1 VAL A 110 16.605 -11.342 -10.260 1.00 0.00 C ATOM 1741 CG2 VAL A 110 15.248 -9.439 -9.360 1.00 0.00 C ATOM 0 H VAL A 110 17.173 -7.541 -9.118 1.00 0.00 H new ATOM 0 HA VAL A 110 17.543 -10.137 -7.980 1.00 0.00 H new ATOM 0 HB VAL A 110 16.800 -9.294 -10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 110 15.813 -11.543 -10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 110 17.568 -11.611 -10.694 1.00 0.00 H new ATOM 0 HG13 VAL A 110 16.434 -11.934 -9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.475 -9.666 -10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 110 15.041 -9.979 -8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 110 15.255 -8.367 -9.160 1.00 0.00 H new ATOM 1751 N SER A 111 20.125 -9.746 -8.707 1.00 0.00 N ATOM 1752 CA SER A 111 21.472 -10.070 -9.163 1.00 0.00 C ATOM 1753 C SER A 111 21.924 -11.418 -8.610 1.00 0.00 C ATOM 1754 O SER A 111 22.374 -12.290 -9.354 1.00 0.00 O ATOM 1755 CB SER A 111 22.454 -8.976 -8.738 1.00 0.00 C ATOM 1756 OG SER A 111 23.762 -9.254 -9.207 1.00 0.00 O ATOM 0 H SER A 111 20.079 -9.370 -7.760 1.00 0.00 H new ATOM 0 HA SER A 111 21.455 -10.131 -10.251 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.122 -8.014 -9.127 1.00 0.00 H new ATOM 0 HB3 SER A 111 22.464 -8.894 -7.651 1.00 0.00 H new ATOM 0 HG SER A 111 24.370 -8.540 -8.924 1.00 0.00 H new ATOM 1762 N THR A 112 21.801 -11.583 -7.296 1.00 0.00 N ATOM 1763 CA THR A 112 22.197 -12.823 -6.641 1.00 0.00 C ATOM 1764 C THR A 112 21.488 -14.022 -7.260 1.00 0.00 C ATOM 1765 O THR A 112 20.290 -13.989 -7.541 1.00 0.00 O ATOM 1766 CB THR A 112 21.891 -12.783 -5.132 1.00 0.00 C ATOM 1767 OG1 THR A 112 22.355 -11.550 -4.570 1.00 0.00 O ATOM 1768 CG2 THR A 112 22.550 -13.952 -4.415 1.00 0.00 C ATOM 0 H THR A 112 21.430 -10.873 -6.665 1.00 0.00 H new ATOM 0 HA THR A 112 23.273 -12.927 -6.784 1.00 0.00 H new ATOM 0 HB THR A 112 20.812 -12.858 -5.001 1.00 0.00 H new ATOM 0 HG1 THR A 112 22.155 -11.532 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 112 22.320 -13.903 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 112 22.173 -14.889 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 112 23.630 -13.903 -4.555 1.00 0.00 H new ATOM 1776 N PRO A 113 22.243 -15.109 -7.477 1.00 0.00 N ATOM 1777 CA PRO A 113 21.707 -16.341 -8.064 1.00 0.00 C ATOM 1778 C PRO A 113 20.758 -17.069 -7.118 1.00 0.00 C ATOM 1779 O PRO A 113 20.337 -18.193 -7.390 1.00 0.00 O ATOM 1780 CB PRO A 113 22.958 -17.185 -8.321 1.00 0.00 C ATOM 1781 CG PRO A 113 23.960 -16.687 -7.337 1.00 0.00 C ATOM 1782 CD PRO A 113 23.678 -15.220 -7.166 1.00 0.00 C ATOM 0 HA PRO A 113 21.118 -16.143 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.756 -18.246 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.314 -17.064 -9.344 1.00 0.00 H new ATOM 0 HG2 PRO A 113 23.870 -17.215 -6.388 1.00 0.00 H new ATOM 0 HG3 PRO A 113 24.976 -16.850 -7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 113 23.896 -14.885 -6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 113 24.283 -14.613 -7.840 1.00 0.00 H new ATOM 1790 N PHE A 114 20.425 -16.420 -6.007 1.00 0.00 N ATOM 1791 CA PHE A 114 19.526 -17.007 -5.021 1.00 0.00 C ATOM 1792 C PHE A 114 18.474 -17.882 -5.696 1.00 0.00 C ATOM 1793 O PHE A 114 17.676 -17.403 -6.501 1.00 0.00 O ATOM 1794 CB PHE A 114 18.843 -15.907 -4.205 1.00 0.00 C ATOM 1795 CG PHE A 114 18.136 -16.419 -2.982 1.00 0.00 C ATOM 1796 CD1 PHE A 114 18.853 -16.936 -1.916 1.00 0.00 C ATOM 1797 CD2 PHE A 114 16.753 -16.383 -2.900 1.00 0.00 C ATOM 1798 CE1 PHE A 114 18.206 -17.408 -0.790 1.00 0.00 C ATOM 1799 CE2 PHE A 114 16.100 -16.853 -1.776 1.00 0.00 C ATOM 1800 CZ PHE A 114 16.827 -17.367 -0.720 1.00 0.00 C ATOM 0 H PHE A 114 20.764 -15.488 -5.767 1.00 0.00 H new ATOM 0 HA PHE A 114 20.118 -17.632 -4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 114 19.590 -15.173 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 114 18.125 -15.388 -4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 114 19.931 -16.971 -1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 114 16.179 -15.983 -3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 114 18.778 -17.808 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 114 15.022 -16.818 -1.724 1.00 0.00 H new ATOM 0 HZ PHE A 114 16.318 -17.736 0.158 1.00 0.00 H new ATOM 1810 N SER A 115 18.480 -19.168 -5.361 1.00 0.00 N ATOM 1811 CA SER A 115 17.530 -20.113 -5.938 1.00 0.00 C ATOM 1812 C SER A 115 17.253 -19.780 -7.401 1.00 0.00 C ATOM 1813 O SER A 115 16.101 -19.734 -7.831 1.00 0.00 O ATOM 1814 CB SER A 115 16.222 -20.102 -5.144 1.00 0.00 C ATOM 1815 OG SER A 115 15.666 -18.799 -5.095 1.00 0.00 O ATOM 0 H SER A 115 19.132 -19.580 -4.693 1.00 0.00 H new ATOM 0 HA SER A 115 17.969 -21.109 -5.887 1.00 0.00 H new ATOM 0 HB2 SER A 115 15.509 -20.788 -5.602 1.00 0.00 H new ATOM 0 HB3 SER A 115 16.405 -20.461 -4.131 1.00 0.00 H new ATOM 0 HG SER A 115 16.119 -18.276 -4.401 1.00 0.00 H new ATOM 1821 N SER A 116 18.319 -19.547 -8.160 1.00 0.00 N ATOM 1822 CA SER A 116 18.192 -19.215 -9.574 1.00 0.00 C ATOM 1823 C SER A 116 17.867 -20.457 -10.398 1.00 0.00 C ATOM 1824 O SER A 116 18.704 -21.345 -10.560 1.00 0.00 O ATOM 1825 CB SER A 116 19.483 -18.572 -10.087 1.00 0.00 C ATOM 1826 OG SER A 116 19.333 -18.122 -11.422 1.00 0.00 O ATOM 0 H SER A 116 19.280 -19.582 -7.819 1.00 0.00 H new ATOM 0 HA SER A 116 17.372 -18.505 -9.682 1.00 0.00 H new ATOM 0 HB2 SER A 116 19.755 -17.734 -9.446 1.00 0.00 H new ATOM 0 HB3 SER A 116 20.299 -19.293 -10.032 1.00 0.00 H new ATOM 0 HG SER A 116 20.171 -17.714 -11.726 1.00 0.00 H new ATOM 1832 N GLY A 117 16.644 -20.513 -10.917 1.00 0.00 N ATOM 1833 CA GLY A 117 16.229 -21.650 -11.717 1.00 0.00 C ATOM 1834 C GLY A 117 14.756 -21.969 -11.551 1.00 0.00 C ATOM 1835 O GLY A 117 14.377 -22.890 -10.828 1.00 0.00 O ATOM 0 H GLY A 117 15.933 -19.791 -10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 117 16.437 -21.447 -12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 117 16.820 -22.522 -11.438 1.00 0.00 H new ATOM 1839 N PRO A 118 13.899 -21.195 -12.232 1.00 0.00 N ATOM 1840 CA PRO A 118 12.446 -21.380 -12.171 1.00 0.00 C ATOM 1841 C PRO A 118 11.995 -22.660 -12.867 1.00 0.00 C ATOM 1842 O PRO A 118 12.681 -23.171 -13.753 1.00 0.00 O ATOM 1843 CB PRO A 118 11.901 -20.152 -12.905 1.00 0.00 C ATOM 1844 CG PRO A 118 13.000 -19.741 -13.824 1.00 0.00 C ATOM 1845 CD PRO A 118 14.281 -20.079 -13.113 1.00 0.00 C ATOM 0 HA PRO A 118 12.090 -21.473 -11.145 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.992 -20.392 -13.457 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.649 -19.353 -12.207 1.00 0.00 H new ATOM 0 HG2 PRO A 118 12.931 -20.268 -14.776 1.00 0.00 H new ATOM 0 HG3 PRO A 118 12.946 -18.675 -14.045 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.064 -20.370 -13.813 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.661 -19.230 -12.544 1.00 0.00 H new ATOM 1853 N SER A 119 10.838 -23.172 -12.462 1.00 0.00 N ATOM 1854 CA SER A 119 10.297 -24.395 -13.045 1.00 0.00 C ATOM 1855 C SER A 119 11.335 -25.513 -13.021 1.00 0.00 C ATOM 1856 O SER A 119 11.506 -26.237 -14.002 1.00 0.00 O ATOM 1857 CB SER A 119 9.838 -24.140 -14.481 1.00 0.00 C ATOM 1858 OG SER A 119 8.812 -25.043 -14.856 1.00 0.00 O ATOM 0 H SER A 119 10.257 -22.759 -11.733 1.00 0.00 H new ATOM 0 HA SER A 119 9.440 -24.706 -12.447 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.477 -23.116 -14.574 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.684 -24.243 -15.160 1.00 0.00 H new ATOM 0 HG SER A 119 8.535 -24.859 -15.778 1.00 0.00 H new ATOM 1864 N SER A 120 12.026 -25.647 -11.893 1.00 0.00 N ATOM 1865 CA SER A 120 13.050 -26.674 -11.742 1.00 0.00 C ATOM 1866 C SER A 120 12.423 -28.020 -11.392 1.00 0.00 C ATOM 1867 O SER A 120 13.041 -29.069 -11.564 1.00 0.00 O ATOM 1868 CB SER A 120 14.052 -26.269 -10.659 1.00 0.00 C ATOM 1869 OG SER A 120 13.445 -26.264 -9.378 1.00 0.00 O ATOM 0 H SER A 120 11.895 -25.057 -11.071 1.00 0.00 H new ATOM 0 HA SER A 120 13.573 -26.773 -12.693 1.00 0.00 H new ATOM 0 HB2 SER A 120 14.895 -26.960 -10.663 1.00 0.00 H new ATOM 0 HB3 SER A 120 14.450 -25.279 -10.880 1.00 0.00 H new ATOM 0 HG SER A 120 14.107 -26.004 -8.704 1.00 0.00 H new ATOM 1875 N GLY A 121 11.188 -27.980 -10.900 1.00 0.00 N ATOM 1876 CA GLY A 121 10.496 -29.202 -10.533 1.00 0.00 C ATOM 1877 C GLY A 121 9.590 -29.708 -11.638 1.00 0.00 C ATOM 1878 O GLY A 121 9.002 -28.896 -12.350 1.00 0.00 O ATOM 0 H GLY A 121 10.655 -27.124 -10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 121 11.228 -29.971 -10.287 1.00 0.00 H new ATOM 0 HA3 GLY A 121 9.905 -29.026 -9.634 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.567 -0.347 6.703 1.00 0.00 ZN