USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN :FLIP amide:sc= -4.23 F(o=-6.2!,f=-4.8) USER MOD Set 1.2: A 104 HEC O2A : rot 143:sc= -0.612! USER MOD Set 2.1: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0112) USER MOD Set 3.1: A 63 ASN : amide:sc= 0.532 K(o=1.4,f=0.6) USER MOD Set 3.2: A 74 TYR OH : rot -157:sc= 0.832 USER MOD Set 4.1: A 39 HIS : no HD1:sc= -8.07! C(o=-11!,f=-12!) USER MOD Set 4.2: A 56 ASN : amide:sc= -2.97 K(o=-11,f=-14!) USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= 0.00454 USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= -6.9! C(o=-8!,f=-6.9!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0177 (180deg=-0.24) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 166:sc= -0.509 (180deg=-0.609) USER MOD Single : A -5 THR N :NH3+ -156:sc= 0.113 (180deg=-0.836) USER MOD Single : A -5 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.476 F(o=-1.3,f=-0.48) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -3.83! C(o=-3.8!,f=-4.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -5.32! C(o=-6.8!,f=-5.3!) USER MOD Single : A 40 SER OG : rot 31:sc= -1.13 USER MOD Single : A 42 GLN :FLIP amide:sc= -6.7! C(o=-8.2!,f=-6.7!) USER MOD Single : A 46 TYR OH : rot 150:sc= -0.0764 USER MOD Single : A 47 SER OG : rot 35:sc= 1.18 USER MOD Single : A 48 TYR OH : rot 180:sc= 0.00818 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 54 LYS NZ :NH3+ 150:sc= 0.806 (180deg=0.276) USER MOD Single : A 55 LYS NZ :NH3+ -154:sc= 0.799 (180deg=-0.603!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.065 F(o=-2.8!,f=-0.065) USER MOD Single : A 64 MET CE :methyl -136:sc= -5.18! (180deg=-12!) USER MOD Single : A 65 SER OG : rot -170:sc= -2.13! USER MOD Single : A 67 TYR OH : rot -79:sc= -1.98! USER MOD Single : A 69 THR OG1 : rot 52:sc= 0.375 USER MOD Single : A 70 ASN : amide:sc= -1.31 K(o=-1.3,f=-3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 155:sc= -6.18! (180deg=-7.75!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= -5.5! C(o=-6.8!,f=-5.5!) USER MOD Single : A 96 THR OG1 : rot 160:sc= -0.294 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 153:sc= -0.102 (180deg=-0.447) USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= -0.0149 (180deg=-0.167) USER MOD Single : A 102 SER OG : rot 84:sc= -0.894 USER MOD Single : A 104 HEC O2D : rot 170:sc= -1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 5.973 -20.234 -7.650 1.00 0.00 N ATOM 2 CA THR A -5 7.238 -20.862 -7.307 1.00 0.00 C ATOM 3 C THR A -5 7.724 -20.370 -5.942 1.00 0.00 C ATOM 4 O THR A -5 7.974 -21.171 -5.043 1.00 0.00 O ATOM 5 CB THR A -5 8.227 -20.584 -8.441 1.00 0.00 C ATOM 6 OG1 THR A -5 8.216 -19.165 -8.571 1.00 0.00 O ATOM 7 CG2 THR A -5 7.722 -21.086 -9.795 1.00 0.00 C ATOM 0 H1 THR A -5 5.461 -20.833 -8.328 1.00 0.00 H new ATOM 0 H2 THR A -5 5.400 -20.116 -6.790 1.00 0.00 H new ATOM 0 H3 THR A -5 6.152 -19.303 -8.077 1.00 0.00 H new ATOM 0 HA THR A -5 7.130 -21.942 -7.209 1.00 0.00 H new ATOM 0 HB THR A -5 9.183 -21.056 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A -5 8.832 -18.897 -9.284 1.00 0.00 H new ATOM 0 HG21 THR A -5 8.461 -20.864 -10.564 1.00 0.00 H new ATOM 0 HG22 THR A -5 7.561 -22.163 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A -5 6.783 -20.590 -10.040 1.00 0.00 H new ATOM 15 N GLU A -4 7.844 -19.055 -5.831 1.00 0.00 N ATOM 16 CA GLU A -4 8.296 -18.448 -4.591 1.00 0.00 C ATOM 17 C GLU A -4 7.103 -17.909 -3.798 1.00 0.00 C ATOM 18 O GLU A -4 6.873 -18.318 -2.661 1.00 0.00 O ATOM 19 CB GLU A -4 9.318 -17.342 -4.863 1.00 0.00 C ATOM 20 CG GLU A -4 9.902 -16.801 -3.556 1.00 0.00 C ATOM 21 CD GLU A -4 10.959 -17.753 -2.992 1.00 0.00 C ATOM 22 OE1 GLU A -4 10.804 -18.972 -3.221 1.00 0.00 O ATOM 23 OE2 GLU A -4 11.897 -17.240 -2.345 1.00 0.00 O ATOM 0 H GLU A -4 7.636 -18.394 -6.579 1.00 0.00 H new ATOM 0 HA GLU A -4 8.789 -19.214 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A -4 10.120 -17.730 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A -4 8.843 -16.532 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A -4 10.346 -15.821 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A -4 9.104 -16.664 -2.826 1.00 0.00 H new ATOM 30 N PHE A -3 6.377 -16.998 -4.430 1.00 0.00 N ATOM 31 CA PHE A -3 5.214 -16.399 -3.798 1.00 0.00 C ATOM 32 C PHE A -3 4.110 -17.437 -3.583 1.00 0.00 C ATOM 33 O PHE A -3 3.861 -18.273 -4.451 1.00 0.00 O ATOM 34 CB PHE A -3 4.699 -15.314 -4.745 1.00 0.00 C ATOM 35 CG PHE A -3 3.198 -15.041 -4.623 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.727 -14.284 -3.596 1.00 0.00 C ATOM 37 CD2 PHE A -3 2.336 -15.556 -5.540 1.00 0.00 C ATOM 38 CE1 PHE A -3 1.334 -14.030 -3.483 1.00 0.00 C ATOM 39 CE2 PHE A -3 0.944 -15.303 -5.426 1.00 0.00 C ATOM 40 CZ PHE A -3 0.472 -14.545 -4.400 1.00 0.00 C ATOM 0 H PHE A -3 6.572 -16.661 -5.373 1.00 0.00 H new ATOM 0 HA PHE A -3 5.488 -15.993 -2.824 1.00 0.00 H new ATOM 0 HB2 PHE A -3 5.243 -14.389 -4.551 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.922 -15.606 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.412 -13.876 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A -3 2.711 -16.158 -6.355 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.959 -13.428 -2.669 1.00 0.00 H new ATOM 0 HE2 PHE A -3 0.259 -15.712 -6.154 1.00 0.00 H new ATOM 0 HZ PHE A -3 -0.587 -14.352 -4.314 1.00 0.00 H new ATOM 50 N LYS A -2 3.479 -17.351 -2.422 1.00 0.00 N ATOM 51 CA LYS A -2 2.408 -18.273 -2.082 1.00 0.00 C ATOM 52 C LYS A -2 1.078 -17.711 -2.588 1.00 0.00 C ATOM 53 O LYS A -2 0.969 -16.518 -2.865 1.00 0.00 O ATOM 54 CB LYS A -2 2.417 -18.575 -0.582 1.00 0.00 C ATOM 55 CG LYS A -2 2.025 -20.030 -0.314 1.00 0.00 C ATOM 56 CD LYS A -2 3.141 -20.986 -0.741 1.00 0.00 C ATOM 57 CE LYS A -2 3.551 -21.901 0.415 1.00 0.00 C ATOM 58 NZ LYS A -2 4.164 -21.113 1.507 1.00 0.00 N ATOM 0 H LYS A -2 3.688 -16.657 -1.704 1.00 0.00 H new ATOM 0 HA LYS A -2 2.559 -19.232 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.409 -18.381 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A -2 1.725 -17.908 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A -2 1.813 -20.164 0.747 1.00 0.00 H new ATOM 0 HG3 LYS A -2 1.109 -20.269 -0.855 1.00 0.00 H new ATOM 0 HD2 LYS A -2 2.805 -21.589 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A -2 4.004 -20.414 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A -2 2.679 -22.436 0.790 1.00 0.00 H new ATOM 0 HE3 LYS A -2 4.257 -22.652 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 4.219 -21.695 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 5.121 -20.818 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 3.583 -20.271 1.696 1.00 0.00 H new ATOM 72 N ALA A -1 0.099 -18.598 -2.693 1.00 0.00 N ATOM 73 CA ALA A -1 -1.219 -18.206 -3.161 1.00 0.00 C ATOM 74 C ALA A -1 -2.052 -17.718 -1.974 1.00 0.00 C ATOM 75 O ALA A -1 -1.704 -17.969 -0.821 1.00 0.00 O ATOM 76 CB ALA A -1 -1.874 -19.382 -3.888 1.00 0.00 C ATOM 0 H ALA A -1 0.193 -19.587 -2.462 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.145 -17.384 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -2.863 -19.087 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -1.258 -19.672 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -1.968 -20.226 -3.204 1.00 0.00 H new ATOM 82 N GLY A 1 -3.137 -17.029 -2.297 1.00 0.00 N ATOM 83 CA GLY A 1 -4.023 -16.503 -1.271 1.00 0.00 C ATOM 84 C GLY A 1 -5.437 -17.065 -1.428 1.00 0.00 C ATOM 85 O GLY A 1 -6.223 -16.564 -2.231 1.00 0.00 O ATOM 0 H GLY A 1 -3.423 -16.823 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.634 -16.757 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.051 -15.415 -1.332 1.00 0.00 H new ATOM 89 N SER A 2 -5.719 -18.099 -0.648 1.00 0.00 N ATOM 90 CA SER A 2 -7.025 -18.734 -0.691 1.00 0.00 C ATOM 91 C SER A 2 -8.009 -17.966 0.194 1.00 0.00 C ATOM 92 O SER A 2 -8.683 -18.557 1.037 1.00 0.00 O ATOM 93 CB SER A 2 -6.941 -20.196 -0.246 1.00 0.00 C ATOM 94 OG SER A 2 -7.832 -21.030 -0.982 1.00 0.00 O ATOM 0 H SER A 2 -5.065 -18.512 0.017 1.00 0.00 H new ATOM 0 HA SER A 2 -7.381 -18.715 -1.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.920 -20.555 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.174 -20.266 0.817 1.00 0.00 H new ATOM 0 HG SER A 2 -7.747 -21.955 -0.670 1.00 0.00 H new ATOM 100 N ALA A 3 -8.061 -16.661 -0.029 1.00 0.00 N ATOM 101 CA ALA A 3 -8.952 -15.806 0.737 1.00 0.00 C ATOM 102 C ALA A 3 -8.886 -16.201 2.213 1.00 0.00 C ATOM 103 O ALA A 3 -7.972 -16.912 2.629 1.00 0.00 O ATOM 104 CB ALA A 3 -10.369 -15.907 0.169 1.00 0.00 C ATOM 0 H ALA A 3 -7.501 -16.175 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.644 -14.763 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.038 -15.266 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.367 -15.588 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.713 -16.939 0.232 1.00 0.00 H new ATOM 110 N LYS A 4 -9.866 -15.722 2.965 1.00 0.00 N ATOM 111 CA LYS A 4 -9.931 -16.016 4.387 1.00 0.00 C ATOM 112 C LYS A 4 -8.520 -15.970 4.977 1.00 0.00 C ATOM 113 O LYS A 4 -7.985 -16.995 5.397 1.00 0.00 O ATOM 114 CB LYS A 4 -10.655 -17.342 4.627 1.00 0.00 C ATOM 115 CG LYS A 4 -9.975 -18.484 3.870 1.00 0.00 C ATOM 116 CD LYS A 4 -10.428 -19.844 4.405 1.00 0.00 C ATOM 117 CE LYS A 4 -9.747 -20.986 3.647 1.00 0.00 C ATOM 118 NZ LYS A 4 -8.290 -20.985 3.908 1.00 0.00 N ATOM 0 H LYS A 4 -10.622 -15.132 2.617 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.519 -15.260 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.668 -17.565 5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.693 -17.256 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.209 -18.411 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.893 -18.394 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.194 -19.917 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.510 -19.934 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.176 -21.940 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.931 -20.881 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.882 -21.893 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.843 -20.210 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.120 -20.851 4.925 1.00 0.00 H new ATOM 132 N LYS A 5 -7.958 -14.771 4.991 1.00 0.00 N ATOM 133 CA LYS A 5 -6.619 -14.578 5.523 1.00 0.00 C ATOM 134 C LYS A 5 -6.090 -13.213 5.076 1.00 0.00 C ATOM 135 O LYS A 5 -5.297 -12.590 5.781 1.00 0.00 O ATOM 136 CB LYS A 5 -5.713 -15.747 5.132 1.00 0.00 C ATOM 137 CG LYS A 5 -5.440 -16.654 6.333 1.00 0.00 C ATOM 138 CD LYS A 5 -4.222 -16.169 7.122 1.00 0.00 C ATOM 139 CE LYS A 5 -4.348 -16.532 8.602 1.00 0.00 C ATOM 140 NZ LYS A 5 -4.928 -15.404 9.365 1.00 0.00 N ATOM 0 H LYS A 5 -8.405 -13.923 4.643 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.639 -14.572 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.182 -16.324 4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.771 -15.366 4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.314 -16.675 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.273 -17.675 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.316 -16.615 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.122 -15.089 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.977 -17.416 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.367 -16.785 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.007 -15.667 10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.313 -14.570 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.872 -15.181 8.991 1.00 0.00 H new ATOM 154 N GLY A 6 -6.548 -12.790 3.908 1.00 0.00 N ATOM 155 CA GLY A 6 -6.131 -11.511 3.359 1.00 0.00 C ATOM 156 C GLY A 6 -7.088 -10.394 3.781 1.00 0.00 C ATOM 157 O GLY A 6 -6.654 -9.293 4.116 1.00 0.00 O ATOM 0 H GLY A 6 -7.204 -13.310 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.122 -11.277 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.095 -11.572 2.271 1.00 0.00 H new ATOM 161 N ALA A 7 -8.373 -10.717 3.750 1.00 0.00 N ATOM 162 CA ALA A 7 -9.395 -9.755 4.124 1.00 0.00 C ATOM 163 C ALA A 7 -9.167 -9.312 5.571 1.00 0.00 C ATOM 164 O ALA A 7 -8.714 -8.196 5.819 1.00 0.00 O ATOM 165 CB ALA A 7 -10.779 -10.372 3.915 1.00 0.00 C ATOM 0 H ALA A 7 -8.729 -11.631 3.472 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.335 -8.868 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.546 -9.650 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.902 -10.643 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.877 -11.264 4.534 1.00 0.00 H new ATOM 171 N THR A 8 -9.492 -10.211 6.489 1.00 0.00 N ATOM 172 CA THR A 8 -9.329 -9.928 7.905 1.00 0.00 C ATOM 173 C THR A 8 -8.035 -9.147 8.147 1.00 0.00 C ATOM 174 O THR A 8 -7.946 -8.363 9.090 1.00 0.00 O ATOM 175 CB THR A 8 -9.387 -11.255 8.663 1.00 0.00 C ATOM 176 OG1 THR A 8 -8.499 -11.068 9.761 1.00 0.00 O ATOM 177 CG2 THR A 8 -8.764 -12.408 7.873 1.00 0.00 C ATOM 0 H THR A 8 -9.867 -11.136 6.280 1.00 0.00 H new ATOM 0 HA THR A 8 -10.132 -9.290 8.275 1.00 0.00 H new ATOM 0 HB THR A 8 -10.425 -11.493 8.897 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.478 -11.882 10.307 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.831 -13.327 8.456 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.299 -12.535 6.932 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.717 -12.184 7.668 1.00 0.00 H new ATOM 185 N LEU A 9 -7.065 -9.388 7.277 1.00 0.00 N ATOM 186 CA LEU A 9 -5.780 -8.717 7.384 1.00 0.00 C ATOM 187 C LEU A 9 -5.972 -7.217 7.149 1.00 0.00 C ATOM 188 O LEU A 9 -5.981 -6.433 8.097 1.00 0.00 O ATOM 189 CB LEU A 9 -4.760 -9.361 6.444 1.00 0.00 C ATOM 190 CG LEU A 9 -3.342 -9.515 6.998 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.819 -10.936 6.781 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.404 -8.463 6.402 1.00 0.00 C ATOM 0 H LEU A 9 -7.143 -10.038 6.495 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.372 -8.833 8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.128 -10.348 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.710 -8.766 5.532 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.376 -9.345 8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.810 -11.018 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.471 -11.646 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.803 -11.159 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.403 -8.594 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.370 -8.578 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.770 -7.467 6.650 1.00 0.00 H new ATOM 204 N PHE A 10 -6.121 -6.864 5.881 1.00 0.00 N ATOM 205 CA PHE A 10 -6.312 -5.472 5.510 1.00 0.00 C ATOM 206 C PHE A 10 -7.253 -4.767 6.490 1.00 0.00 C ATOM 207 O PHE A 10 -7.159 -3.556 6.684 1.00 0.00 O ATOM 208 CB PHE A 10 -6.946 -5.463 4.117 1.00 0.00 C ATOM 209 CG PHE A 10 -6.996 -4.081 3.465 1.00 0.00 C ATOM 210 CD1 PHE A 10 -5.877 -3.556 2.896 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.159 -3.376 3.453 1.00 0.00 C ATOM 212 CE1 PHE A 10 -5.924 -2.272 2.291 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.205 -2.092 2.848 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.087 -1.568 2.279 1.00 0.00 C ATOM 0 H PHE A 10 -6.113 -7.517 5.098 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.356 -4.949 5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.386 -6.139 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.960 -5.857 4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.953 -4.116 2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.048 -3.793 3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.036 -1.855 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.128 -1.532 2.840 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.123 -0.592 1.817 1.00 0.00 H new ATOM 224 N LYS A 11 -8.139 -5.556 7.080 1.00 0.00 N ATOM 225 CA LYS A 11 -9.096 -5.022 8.035 1.00 0.00 C ATOM 226 C LYS A 11 -8.342 -4.349 9.184 1.00 0.00 C ATOM 227 O LYS A 11 -8.704 -3.254 9.611 1.00 0.00 O ATOM 228 CB LYS A 11 -10.064 -6.116 8.491 1.00 0.00 C ATOM 229 CG LYS A 11 -11.223 -5.522 9.293 1.00 0.00 C ATOM 230 CD LYS A 11 -12.560 -6.120 8.849 1.00 0.00 C ATOM 231 CE LYS A 11 -12.945 -5.625 7.454 1.00 0.00 C ATOM 232 NZ LYS A 11 -14.112 -6.378 6.941 1.00 0.00 N ATOM 0 H LYS A 11 -8.215 -6.560 6.916 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.714 -4.256 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.453 -6.648 7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.532 -6.847 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.070 -5.712 10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.243 -4.440 9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.493 -7.208 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.338 -5.850 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.179 -4.561 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.101 -5.743 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.360 -6.030 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.876 -7.389 6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.920 -6.244 7.582 1.00 0.00 H new ATOM 246 N THR A 12 -7.309 -5.033 9.652 1.00 0.00 N ATOM 247 CA THR A 12 -6.501 -4.515 10.743 1.00 0.00 C ATOM 248 C THR A 12 -5.036 -4.402 10.316 1.00 0.00 C ATOM 249 O THR A 12 -4.551 -5.213 9.530 1.00 0.00 O ATOM 250 CB THR A 12 -6.711 -5.420 11.959 1.00 0.00 C ATOM 251 OG1 THR A 12 -6.337 -6.715 11.496 1.00 0.00 O ATOM 252 CG2 THR A 12 -8.189 -5.570 12.329 1.00 0.00 C ATOM 0 H THR A 12 -7.013 -5.942 9.296 1.00 0.00 H new ATOM 0 HA THR A 12 -6.806 -3.505 11.015 1.00 0.00 H new ATOM 0 HB THR A 12 -6.162 -5.017 12.810 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.441 -7.365 12.222 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.282 -6.222 13.198 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.607 -4.591 12.563 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.732 -6.005 11.490 1.00 0.00 H new ATOM 260 N ARG A 13 -4.373 -3.388 10.853 1.00 0.00 N ATOM 261 CA ARG A 13 -2.974 -3.159 10.538 1.00 0.00 C ATOM 262 C ARG A 13 -2.839 -2.523 9.153 1.00 0.00 C ATOM 263 O ARG A 13 -1.732 -2.375 8.638 1.00 0.00 O ATOM 264 CB ARG A 13 -2.180 -4.466 10.570 1.00 0.00 C ATOM 265 CG ARG A 13 -2.542 -5.297 11.803 1.00 0.00 C ATOM 266 CD ARG A 13 -1.643 -4.939 12.988 1.00 0.00 C ATOM 267 NE ARG A 13 -1.334 -6.154 13.774 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.941 -6.141 15.055 1.00 0.00 C ATOM 269 NH1 ARG A 13 -0.807 -4.975 15.702 1.00 0.00 N ATOM 270 NH2 ARG A 13 -0.682 -7.293 15.689 1.00 0.00 N ATOM 0 H ARG A 13 -4.779 -2.716 11.504 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.571 -2.484 11.293 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.383 -5.041 9.667 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.112 -4.247 10.575 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.585 -5.125 12.068 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.442 -6.358 11.573 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.720 -4.483 12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.138 -4.202 13.621 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.426 -7.058 13.312 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.004 -4.098 15.219 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.508 -4.964 16.677 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.784 -8.180 15.196 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.383 -7.282 16.664 1.00 0.00 H new ATOM 284 N CYS A 14 -3.983 -2.163 8.588 1.00 0.00 N ATOM 285 CA CYS A 14 -4.007 -1.546 7.273 1.00 0.00 C ATOM 286 C CYS A 14 -5.171 -0.554 7.229 1.00 0.00 C ATOM 287 O CYS A 14 -4.959 0.653 7.125 1.00 0.00 O ATOM 288 CB CYS A 14 -4.105 -2.591 6.160 1.00 0.00 C ATOM 289 SG CYS A 14 -2.703 -3.765 6.083 1.00 0.00 S ATOM 0 H CYS A 14 -4.900 -2.287 9.018 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.071 -1.014 7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.027 -3.157 6.292 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.182 -2.075 5.203 1.00 0.00 H new ATOM 294 N LEU A 15 -6.376 -1.100 7.310 1.00 0.00 N ATOM 295 CA LEU A 15 -7.573 -0.278 7.281 1.00 0.00 C ATOM 296 C LEU A 15 -7.379 0.931 8.197 1.00 0.00 C ATOM 297 O LEU A 15 -7.870 2.021 7.905 1.00 0.00 O ATOM 298 CB LEU A 15 -8.807 -1.117 7.622 1.00 0.00 C ATOM 299 CG LEU A 15 -9.961 -1.051 6.620 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.448 -1.167 5.184 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.023 -2.106 6.936 1.00 0.00 C ATOM 0 H LEU A 15 -6.548 -2.102 7.396 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.746 0.108 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.498 -2.157 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.179 -0.800 8.596 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.438 -0.076 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.289 -1.117 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.759 -0.349 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.931 -2.118 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.832 -2.037 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.575 -3.099 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.419 -1.935 7.937 1.00 0.00 H new ATOM 313 N GLN A 16 -6.662 0.699 9.286 1.00 0.00 N ATOM 314 CA GLN A 16 -6.397 1.757 10.247 1.00 0.00 C ATOM 315 C GLN A 16 -5.891 3.010 9.531 1.00 0.00 C ATOM 316 O GLN A 16 -6.018 4.119 10.048 1.00 0.00 O ATOM 317 CB GLN A 16 -5.400 1.293 11.311 1.00 0.00 C ATOM 318 CG GLN A 16 -4.052 0.936 10.682 1.00 0.00 C ATOM 319 CD GLN A 16 -2.990 0.701 11.757 1.00 0.00 C ATOM 320 OE1 GLN A 16 -3.090 -0.475 12.369 1.00 0.00 O flip ATOM 321 NE2 GLN A 16 -2.135 1.533 12.014 1.00 0.00 N flip ATOM 0 H GLN A 16 -6.256 -0.206 9.525 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.330 2.004 10.753 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.262 2.080 12.053 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.801 0.426 11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.158 0.041 10.069 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.732 1.740 10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.115 2.417 11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.441 1.344 12.737 1.00 0.00 H new ATOM 330 N CYS A 17 -5.327 2.792 8.351 1.00 0.00 N ATOM 331 CA CYS A 17 -4.802 3.891 7.559 1.00 0.00 C ATOM 332 C CYS A 17 -5.707 4.080 6.340 1.00 0.00 C ATOM 333 O CYS A 17 -6.290 5.116 6.005 1.00 0.00 O ATOM 334 CB CYS A 17 -3.345 3.651 7.156 1.00 0.00 C ATOM 335 SG CYS A 17 -2.220 3.255 8.544 1.00 0.00 S ATOM 0 H CYS A 17 -5.223 1.871 7.925 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.801 4.804 8.154 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.312 2.834 6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.972 4.540 6.647 1.00 0.00 H new ATOM 340 N HIS A 18 -5.869 2.957 5.553 1.00 0.00 N ATOM 341 CA HIS A 18 -6.386 3.000 4.171 1.00 0.00 C ATOM 342 C HIS A 18 -7.778 2.413 3.983 1.00 0.00 C ATOM 343 O HIS A 18 -8.433 1.879 4.876 1.00 0.00 O ATOM 344 CB HIS A 18 -5.510 2.143 3.246 1.00 0.00 C ATOM 345 CG HIS A 18 -4.057 2.461 3.020 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.634 3.341 2.089 1.00 0.00 N ATOM 347 CD2 HIS A 18 -2.925 1.926 3.602 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.386 3.398 2.118 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.856 2.512 3.014 1.00 0.00 N ATOM 0 H HIS A 18 -5.642 2.016 5.874 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.393 4.065 3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.555 1.122 3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.990 2.142 2.267 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.236 3.874 1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.898 1.179 4.381 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.797 4.067 1.508 1.00 0.00 H new ATOM 357 N THR A 19 -8.195 2.566 2.735 1.00 0.00 N ATOM 358 CA THR A 19 -9.505 2.094 2.321 1.00 0.00 C ATOM 359 C THR A 19 -9.410 1.368 0.977 1.00 0.00 C ATOM 360 O THR A 19 -8.885 1.914 0.008 1.00 0.00 O ATOM 361 CB THR A 19 -10.454 3.294 2.298 1.00 0.00 C ATOM 362 OG1 THR A 19 -11.373 2.990 1.251 1.00 0.00 O ATOM 363 CG2 THR A 19 -9.765 4.576 1.828 1.00 0.00 C ATOM 0 H THR A 19 -7.649 3.010 1.997 1.00 0.00 H new ATOM 0 HA THR A 19 -9.902 1.361 3.023 1.00 0.00 H new ATOM 0 HB THR A 19 -10.868 3.449 3.295 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.026 3.716 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.483 5.397 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.940 4.813 2.500 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.380 4.433 0.818 1.00 0.00 H new ATOM 371 N VAL A 20 -9.927 0.148 0.962 1.00 0.00 N ATOM 372 CA VAL A 20 -9.907 -0.658 -0.246 1.00 0.00 C ATOM 373 C VAL A 20 -11.138 -0.329 -1.094 1.00 0.00 C ATOM 374 O VAL A 20 -11.078 -0.366 -2.322 1.00 0.00 O ATOM 375 CB VAL A 20 -9.810 -2.142 0.116 1.00 0.00 C ATOM 376 CG1 VAL A 20 -10.909 -2.538 1.104 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.859 -3.016 -1.138 1.00 0.00 C ATOM 0 H VAL A 20 -10.362 -0.302 1.768 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.027 -0.425 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.848 -2.307 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.818 -3.597 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.808 -1.949 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.885 -2.351 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.788 -4.066 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.798 -2.845 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.025 -2.761 -1.792 1.00 0.00 H new ATOM 387 N GLU A 21 -12.225 -0.015 -0.404 1.00 0.00 N ATOM 388 CA GLU A 21 -13.468 0.321 -1.078 1.00 0.00 C ATOM 389 C GLU A 21 -13.387 1.729 -1.670 1.00 0.00 C ATOM 390 O GLU A 21 -12.583 2.548 -1.226 1.00 0.00 O ATOM 391 CB GLU A 21 -14.659 0.193 -0.127 1.00 0.00 C ATOM 392 CG GLU A 21 -14.420 -0.910 0.907 1.00 0.00 C ATOM 393 CD GLU A 21 -15.727 -1.618 1.266 1.00 0.00 C ATOM 394 OE1 GLU A 21 -16.560 -0.968 1.934 1.00 0.00 O ATOM 395 OE2 GLU A 21 -15.865 -2.794 0.863 1.00 0.00 O ATOM 0 H GLU A 21 -12.271 0.014 0.615 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.619 -0.386 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.827 1.143 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.562 -0.027 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.707 -1.634 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.976 -0.481 1.805 1.00 0.00 H new ATOM 402 N LYS A 22 -14.231 1.969 -2.663 1.00 0.00 N ATOM 403 CA LYS A 22 -14.266 3.264 -3.320 1.00 0.00 C ATOM 404 C LYS A 22 -14.937 4.282 -2.395 1.00 0.00 C ATOM 405 O LYS A 22 -15.190 3.993 -1.227 1.00 0.00 O ATOM 406 CB LYS A 22 -14.929 3.151 -4.694 1.00 0.00 C ATOM 407 CG LYS A 22 -14.233 4.053 -5.715 1.00 0.00 C ATOM 408 CD LYS A 22 -14.301 3.447 -7.118 1.00 0.00 C ATOM 409 CE LYS A 22 -15.032 4.381 -8.084 1.00 0.00 C ATOM 410 NZ LYS A 22 -15.968 3.615 -8.937 1.00 0.00 N ATOM 0 H LYS A 22 -14.896 1.288 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.254 3.622 -3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.894 2.116 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.981 3.426 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.703 5.037 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.192 4.198 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.292 3.256 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.813 2.486 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.579 5.139 -7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.309 4.907 -8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.456 4.264 -9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.438 2.909 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.669 3.133 -8.338 1.00 0.00 H new ATOM 424 N GLY A 23 -15.206 5.453 -2.954 1.00 0.00 N ATOM 425 CA GLY A 23 -15.842 6.516 -2.194 1.00 0.00 C ATOM 426 C GLY A 23 -15.329 6.543 -0.753 1.00 0.00 C ATOM 427 O GLY A 23 -16.106 6.396 0.189 1.00 0.00 O ATOM 0 H GLY A 23 -14.995 5.689 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.646 7.476 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.923 6.373 -2.196 1.00 0.00 H new ATOM 431 N GLY A 24 -14.024 6.733 -0.627 1.00 0.00 N ATOM 432 CA GLY A 24 -13.397 6.781 0.683 1.00 0.00 C ATOM 433 C GLY A 24 -12.538 8.038 0.834 1.00 0.00 C ATOM 434 O GLY A 24 -11.671 8.305 0.003 1.00 0.00 O ATOM 0 H GLY A 24 -13.383 6.856 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.164 6.765 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.779 5.895 0.827 1.00 0.00 H new ATOM 438 N PRO A 25 -12.816 8.796 1.928 1.00 0.00 N ATOM 439 CA PRO A 25 -12.078 10.018 2.199 1.00 0.00 C ATOM 440 C PRO A 25 -10.676 9.707 2.727 1.00 0.00 C ATOM 441 O PRO A 25 -10.527 8.995 3.719 1.00 0.00 O ATOM 442 CB PRO A 25 -12.934 10.781 3.197 1.00 0.00 C ATOM 443 CG PRO A 25 -13.882 9.758 3.801 1.00 0.00 C ATOM 444 CD PRO A 25 -13.835 8.510 2.934 1.00 0.00 C ATOM 0 HA PRO A 25 -11.908 10.614 1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.317 11.244 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.486 11.583 2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.589 9.523 4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.896 10.155 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.575 7.629 3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.802 8.312 2.473 1.00 0.00 H new ATOM 452 N HIS A 26 -9.685 10.257 2.041 1.00 0.00 N ATOM 453 CA HIS A 26 -8.300 10.047 2.429 1.00 0.00 C ATOM 454 C HIS A 26 -8.156 10.241 3.939 1.00 0.00 C ATOM 455 O HIS A 26 -8.824 11.089 4.527 1.00 0.00 O ATOM 456 CB HIS A 26 -7.367 10.953 1.623 1.00 0.00 C ATOM 457 CG HIS A 26 -7.566 10.865 0.128 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.846 9.676 -0.522 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.523 11.830 -0.835 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.964 9.926 -1.818 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.763 11.261 -2.010 1.00 0.00 N ATOM 0 H HIS A 26 -9.813 10.848 1.219 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.005 9.023 2.199 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.517 11.985 1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.334 10.695 1.858 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.327 12.879 -0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.181 9.200 -2.587 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.792 11.743 -2.908 1.00 0.00 H new ATOM 469 N LYS A 27 -7.278 9.439 4.525 1.00 0.00 N ATOM 470 CA LYS A 27 -7.036 9.512 5.956 1.00 0.00 C ATOM 471 C LYS A 27 -5.528 9.529 6.214 1.00 0.00 C ATOM 472 O LYS A 27 -4.903 10.588 6.191 1.00 0.00 O ATOM 473 CB LYS A 27 -7.771 8.383 6.681 1.00 0.00 C ATOM 474 CG LYS A 27 -9.060 8.894 7.329 1.00 0.00 C ATOM 475 CD LYS A 27 -10.006 7.738 7.656 1.00 0.00 C ATOM 476 CE LYS A 27 -11.451 8.093 7.299 1.00 0.00 C ATOM 477 NZ LYS A 27 -12.358 6.973 7.636 1.00 0.00 N ATOM 0 H LYS A 27 -6.726 8.736 4.034 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.440 10.439 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.006 7.586 5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.122 7.953 7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.820 9.441 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.556 9.595 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.701 6.847 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.939 7.497 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.755 8.990 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.524 8.320 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.335 7.230 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.077 6.126 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.301 6.775 8.655 1.00 0.00 H new ATOM 491 N VAL A 28 -4.988 8.344 6.455 1.00 0.00 N ATOM 492 CA VAL A 28 -3.565 8.209 6.717 1.00 0.00 C ATOM 493 C VAL A 28 -2.843 7.844 5.419 1.00 0.00 C ATOM 494 O VAL A 28 -1.668 8.162 5.247 1.00 0.00 O ATOM 495 CB VAL A 28 -3.333 7.192 7.837 1.00 0.00 C ATOM 496 CG1 VAL A 28 -1.848 7.099 8.194 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.173 7.533 9.069 1.00 0.00 C ATOM 0 H VAL A 28 -5.510 7.468 6.474 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.150 9.155 7.064 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.652 6.215 7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.711 6.370 8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.282 6.787 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.492 8.074 8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.990 6.795 9.850 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.899 8.523 9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.230 7.524 8.803 1.00 0.00 H new ATOM 507 N GLY A 29 -3.578 7.181 4.537 1.00 0.00 N ATOM 508 CA GLY A 29 -3.023 6.769 3.259 1.00 0.00 C ATOM 509 C GLY A 29 -4.046 6.944 2.135 1.00 0.00 C ATOM 510 O GLY A 29 -5.246 7.030 2.391 1.00 0.00 O ATOM 0 H GLY A 29 -4.553 6.919 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.132 7.357 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.712 5.726 3.313 1.00 0.00 H new ATOM 514 N PRO A 30 -3.521 6.991 0.882 1.00 0.00 N ATOM 515 CA PRO A 30 -4.375 7.153 -0.282 1.00 0.00 C ATOM 516 C PRO A 30 -5.115 5.854 -0.605 1.00 0.00 C ATOM 517 O PRO A 30 -4.564 4.766 -0.447 1.00 0.00 O ATOM 518 CB PRO A 30 -3.441 7.597 -1.397 1.00 0.00 C ATOM 519 CG PRO A 30 -2.041 7.220 -0.942 1.00 0.00 C ATOM 520 CD PRO A 30 -2.105 6.892 0.541 1.00 0.00 C ATOM 0 HA PRO A 30 -5.164 7.888 -0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.692 7.105 -2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.520 8.670 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.674 6.363 -1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.347 8.041 -1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.718 5.893 0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.507 7.590 1.127 1.00 0.00 H new ATOM 528 N ASN A 31 -6.353 6.011 -1.051 1.00 0.00 N ATOM 529 CA ASN A 31 -7.175 4.863 -1.397 1.00 0.00 C ATOM 530 C ASN A 31 -6.413 3.974 -2.382 1.00 0.00 C ATOM 531 O ASN A 31 -5.843 4.466 -3.355 1.00 0.00 O ATOM 532 CB ASN A 31 -8.479 5.301 -2.066 1.00 0.00 C ATOM 533 CG ASN A 31 -9.688 4.655 -1.387 1.00 0.00 C ATOM 534 OD1 ASN A 31 -10.434 5.505 -0.688 1.00 0.00 O flip ATOM 535 ND2 ASN A 31 -9.927 3.463 -1.492 1.00 0.00 N flip ATOM 0 H ASN A 31 -6.807 6.915 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.405 4.324 -0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.569 6.386 -2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.461 5.027 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.312 2.866 -2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.742 3.063 -1.027 1.00 0.00 H new ATOM 542 N LEU A 32 -6.427 2.681 -2.095 1.00 0.00 N ATOM 543 CA LEU A 32 -5.745 1.719 -2.944 1.00 0.00 C ATOM 544 C LEU A 32 -6.773 0.988 -3.809 1.00 0.00 C ATOM 545 O LEU A 32 -6.532 -0.133 -4.254 1.00 0.00 O ATOM 546 CB LEU A 32 -4.874 0.784 -2.101 1.00 0.00 C ATOM 547 CG LEU A 32 -3.905 1.462 -1.131 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.541 0.527 0.023 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.665 1.977 -1.865 1.00 0.00 C ATOM 0 H LEU A 32 -6.900 2.277 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.062 2.228 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.529 0.127 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.298 0.151 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.405 2.328 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.851 1.034 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.444 0.252 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.068 -0.372 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.993 2.455 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.153 1.142 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.965 2.701 -2.622 1.00 0.00 H new ATOM 561 N HIS A 33 -7.900 1.653 -4.021 1.00 0.00 N ATOM 562 CA HIS A 33 -8.966 1.081 -4.825 1.00 0.00 C ATOM 563 C HIS A 33 -8.648 1.271 -6.310 1.00 0.00 C ATOM 564 O HIS A 33 -8.948 2.317 -6.883 1.00 0.00 O ATOM 565 CB HIS A 33 -10.321 1.670 -4.429 1.00 0.00 C ATOM 566 CG HIS A 33 -11.482 1.139 -5.235 1.00 0.00 C ATOM 567 ND1 HIS A 33 -12.321 0.089 -5.005 1.00 0.00 N flip ATOM 568 CD2 HIS A 33 -11.884 1.704 -6.433 1.00 0.00 C flip ATOM 569 CE1 HIS A 33 -13.189 0.017 -6.006 1.00 0.00 C flip ATOM 570 NE2 HIS A 33 -12.919 1.018 -6.893 1.00 0.00 N flip ATOM 0 H HIS A 33 -8.097 2.582 -3.650 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.032 0.009 -4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.500 1.464 -3.374 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -10.281 2.754 -4.540 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -12.287 -0.536 -4.199 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.430 2.559 -6.911 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.979 -0.713 -6.103 1.00 0.00 H new ATOM 578 N GLY A 34 -8.046 0.243 -6.889 1.00 0.00 N ATOM 579 CA GLY A 34 -7.684 0.284 -8.296 1.00 0.00 C ATOM 580 C GLY A 34 -6.189 0.559 -8.470 1.00 0.00 C ATOM 581 O GLY A 34 -5.804 1.530 -9.120 1.00 0.00 O ATOM 0 H GLY A 34 -7.800 -0.623 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.940 -0.664 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.261 1.059 -8.801 1.00 0.00 H new ATOM 585 N ILE A 35 -5.387 -0.314 -7.878 1.00 0.00 N ATOM 586 CA ILE A 35 -3.943 -0.178 -7.960 1.00 0.00 C ATOM 587 C ILE A 35 -3.363 -1.376 -8.714 1.00 0.00 C ATOM 588 O ILE A 35 -4.083 -2.069 -9.432 1.00 0.00 O ATOM 589 CB ILE A 35 -3.344 0.019 -6.566 1.00 0.00 C ATOM 590 CG1 ILE A 35 -3.620 -1.193 -5.674 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.842 1.321 -5.934 1.00 0.00 C ATOM 592 CD1 ILE A 35 -2.680 -2.351 -6.017 1.00 0.00 C ATOM 0 H ILE A 35 -5.710 -1.118 -7.340 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.677 0.714 -8.526 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.262 0.104 -6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.494 -0.915 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.655 -1.511 -5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.401 1.437 -4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.552 2.164 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.928 1.291 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.897 -3.200 -5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.826 -2.642 -7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.647 -2.037 -5.870 1.00 0.00 H new ATOM 604 N PHE A 36 -2.068 -1.583 -8.526 1.00 0.00 N ATOM 605 CA PHE A 36 -1.384 -2.686 -9.180 1.00 0.00 C ATOM 606 C PHE A 36 -1.489 -2.571 -10.702 1.00 0.00 C ATOM 607 O PHE A 36 -2.584 -2.629 -11.259 1.00 0.00 O ATOM 608 CB PHE A 36 -2.077 -3.973 -8.729 1.00 0.00 C ATOM 609 CG PHE A 36 -1.525 -4.553 -7.426 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.183 -4.566 -7.202 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.374 -5.057 -6.491 1.00 0.00 C ATOM 612 CE1 PHE A 36 0.330 -5.105 -5.993 1.00 0.00 C ATOM 613 CE2 PHE A 36 -1.861 -5.596 -5.282 1.00 0.00 C ATOM 614 CZ PHE A 36 -0.520 -5.609 -5.058 1.00 0.00 C ATOM 0 H PHE A 36 -1.474 -1.006 -7.930 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.327 -2.678 -8.914 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.142 -3.776 -8.605 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.981 -4.720 -9.517 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.492 -4.166 -7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.439 -5.047 -6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.395 -5.115 -5.815 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.536 -5.996 -4.540 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.130 -6.019 -4.138 1.00 0.00 H new ATOM 624 N GLY A 37 -0.335 -2.409 -11.332 1.00 0.00 N ATOM 625 CA GLY A 37 -0.283 -2.285 -12.779 1.00 0.00 C ATOM 626 C GLY A 37 -0.080 -0.827 -13.198 1.00 0.00 C ATOM 627 O GLY A 37 -0.492 -0.427 -14.285 1.00 0.00 O ATOM 0 H GLY A 37 0.572 -2.361 -10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.530 -2.896 -13.171 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.207 -2.667 -13.214 1.00 0.00 H new ATOM 631 N ARG A 38 0.554 -0.073 -12.312 1.00 0.00 N ATOM 632 CA ARG A 38 0.817 1.331 -12.576 1.00 0.00 C ATOM 633 C ARG A 38 2.081 1.782 -11.841 1.00 0.00 C ATOM 634 O ARG A 38 2.781 0.966 -11.244 1.00 0.00 O ATOM 635 CB ARG A 38 -0.360 2.204 -12.134 1.00 0.00 C ATOM 636 CG ARG A 38 -1.437 2.263 -13.219 1.00 0.00 C ATOM 637 CD ARG A 38 -0.972 3.108 -14.407 1.00 0.00 C ATOM 638 NE ARG A 38 -1.926 2.969 -15.531 1.00 0.00 N ATOM 639 CZ ARG A 38 -1.633 3.265 -16.805 1.00 0.00 C ATOM 640 NH1 ARG A 38 -0.414 3.718 -17.125 1.00 0.00 N ATOM 641 NH2 ARG A 38 -2.561 3.108 -17.759 1.00 0.00 N ATOM 0 H ARG A 38 0.893 -0.408 -11.410 1.00 0.00 H new ATOM 0 HA ARG A 38 0.957 1.446 -13.651 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.787 1.806 -11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.007 3.211 -11.912 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.674 1.254 -13.556 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.353 2.684 -12.805 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.895 4.154 -14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.022 2.792 -14.722 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.864 2.627 -15.323 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.292 3.838 -16.399 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.192 3.943 -18.095 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.490 2.763 -17.515 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.339 3.333 -18.729 1.00 0.00 H new ATOM 655 N HIS A 39 2.335 3.081 -11.910 1.00 0.00 N ATOM 656 CA HIS A 39 3.503 3.650 -11.259 1.00 0.00 C ATOM 657 C HIS A 39 3.069 4.428 -10.015 1.00 0.00 C ATOM 658 O HIS A 39 1.927 4.877 -9.927 1.00 0.00 O ATOM 659 CB HIS A 39 4.310 4.503 -12.240 1.00 0.00 C ATOM 660 CG HIS A 39 5.364 3.733 -13.000 1.00 0.00 C ATOM 661 ND1 HIS A 39 5.445 3.737 -14.382 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.379 2.937 -12.557 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.465 2.974 -14.743 1.00 0.00 C ATOM 664 NE2 HIS A 39 7.043 2.478 -13.611 1.00 0.00 N ATOM 0 H HIS A 39 1.752 3.755 -12.406 1.00 0.00 H new ATOM 0 HA HIS A 39 4.167 2.850 -10.932 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.626 4.963 -12.953 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.791 5.313 -11.691 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.604 2.717 -11.524 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.784 2.778 -15.756 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.852 1.857 -13.580 1.00 0.00 H new ATOM 672 N SER A 40 4.003 4.563 -9.085 1.00 0.00 N ATOM 673 CA SER A 40 3.731 5.279 -7.850 1.00 0.00 C ATOM 674 C SER A 40 2.874 6.513 -8.139 1.00 0.00 C ATOM 675 O SER A 40 3.199 7.307 -9.020 1.00 0.00 O ATOM 676 CB SER A 40 5.031 5.687 -7.153 1.00 0.00 C ATOM 677 OG SER A 40 5.845 6.513 -7.981 1.00 0.00 O ATOM 0 H SER A 40 4.949 4.189 -9.162 1.00 0.00 H new ATOM 0 HA SER A 40 3.185 4.614 -7.181 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.796 6.218 -6.230 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.588 4.793 -6.873 1.00 0.00 H new ATOM 0 HG SER A 40 5.274 7.047 -8.573 1.00 0.00 H new ATOM 683 N GLY A 41 1.795 6.635 -7.379 1.00 0.00 N ATOM 684 CA GLY A 41 0.889 7.759 -7.542 1.00 0.00 C ATOM 685 C GLY A 41 -0.369 7.342 -8.306 1.00 0.00 C ATOM 686 O GLY A 41 -0.510 7.645 -9.490 1.00 0.00 O ATOM 0 H GLY A 41 1.528 5.974 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.611 8.152 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.394 8.563 -8.077 1.00 0.00 H new ATOM 690 N GLN A 42 -1.252 6.654 -7.598 1.00 0.00 N ATOM 691 CA GLN A 42 -2.494 6.192 -8.195 1.00 0.00 C ATOM 692 C GLN A 42 -3.683 6.945 -7.594 1.00 0.00 C ATOM 693 O GLN A 42 -4.759 6.374 -7.420 1.00 0.00 O ATOM 694 CB GLN A 42 -2.657 4.681 -8.022 1.00 0.00 C ATOM 695 CG GLN A 42 -1.845 3.918 -9.070 1.00 0.00 C ATOM 696 CD GLN A 42 -2.509 2.583 -9.412 1.00 0.00 C ATOM 697 OE1 GLN A 42 -1.717 1.527 -9.246 1.00 0.00 O flip ATOM 698 NE2 GLN A 42 -3.663 2.515 -9.802 1.00 0.00 N flip ATOM 0 H GLN A 42 -1.132 6.405 -6.616 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.460 6.400 -9.265 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.334 4.389 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.710 4.413 -8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.749 4.522 -9.972 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.836 3.741 -8.696 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.217 3.365 -9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.074 1.608 -10.022 1.00 0.00 H new ATOM 707 N ALA A 43 -3.449 8.214 -7.293 1.00 0.00 N ATOM 708 CA ALA A 43 -4.488 9.050 -6.716 1.00 0.00 C ATOM 709 C ALA A 43 -4.383 10.461 -7.297 1.00 0.00 C ATOM 710 O ALA A 43 -3.290 11.018 -7.391 1.00 0.00 O ATOM 711 CB ALA A 43 -4.365 9.037 -5.191 1.00 0.00 C ATOM 0 H ALA A 43 -2.555 8.683 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.476 8.663 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.144 9.664 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.476 8.016 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.387 9.422 -4.902 1.00 0.00 H new ATOM 717 N GLU A 44 -5.534 11.000 -7.672 1.00 0.00 N ATOM 718 CA GLU A 44 -5.584 12.335 -8.242 1.00 0.00 C ATOM 719 C GLU A 44 -6.261 13.302 -7.268 1.00 0.00 C ATOM 720 O GLU A 44 -7.481 13.458 -7.289 1.00 0.00 O ATOM 721 CB GLU A 44 -6.301 12.328 -9.593 1.00 0.00 C ATOM 722 CG GLU A 44 -5.318 12.052 -10.733 1.00 0.00 C ATOM 723 CD GLU A 44 -4.351 13.223 -10.920 1.00 0.00 C ATOM 724 OE1 GLU A 44 -4.804 14.370 -10.718 1.00 0.00 O ATOM 725 OE2 GLU A 44 -3.182 12.944 -11.261 1.00 0.00 O ATOM 0 H GLU A 44 -6.439 10.536 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.562 12.675 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.083 11.568 -9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.790 13.289 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.756 11.142 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.868 11.879 -11.658 1.00 0.00 H new ATOM 732 N GLY A 45 -5.439 13.926 -6.437 1.00 0.00 N ATOM 733 CA GLY A 45 -5.942 14.874 -5.457 1.00 0.00 C ATOM 734 C GLY A 45 -5.202 14.732 -4.126 1.00 0.00 C ATOM 735 O GLY A 45 -4.778 15.726 -3.538 1.00 0.00 O ATOM 0 H GLY A 45 -4.428 13.794 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.825 15.890 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.009 14.712 -5.303 1.00 0.00 H new ATOM 739 N TYR A 46 -5.068 13.488 -3.689 1.00 0.00 N ATOM 740 CA TYR A 46 -4.385 13.203 -2.439 1.00 0.00 C ATOM 741 C TYR A 46 -2.974 13.793 -2.437 1.00 0.00 C ATOM 742 O TYR A 46 -2.221 13.614 -3.393 1.00 0.00 O ATOM 743 CB TYR A 46 -4.288 11.679 -2.349 1.00 0.00 C ATOM 744 CG TYR A 46 -3.877 11.161 -0.969 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.702 11.595 -0.391 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.682 10.260 -0.302 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.315 11.108 0.908 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.296 9.773 0.996 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.131 10.221 1.537 1.00 0.00 C ATOM 750 OH TYR A 46 -2.766 9.761 2.764 1.00 0.00 O ATOM 0 H TYR A 46 -5.421 12.666 -4.179 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.926 13.638 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.253 11.248 -2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.567 11.327 -3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.072 12.300 -0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.602 9.920 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.398 11.440 1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.917 9.068 1.528 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.568 9.554 3.288 1.00 0.00 H new ATOM 760 N SER A 47 -2.658 14.486 -1.353 1.00 0.00 N ATOM 761 CA SER A 47 -1.350 15.103 -1.214 1.00 0.00 C ATOM 762 C SER A 47 -0.290 14.032 -0.949 1.00 0.00 C ATOM 763 O SER A 47 -0.078 13.634 0.196 1.00 0.00 O ATOM 764 CB SER A 47 -1.348 16.142 -0.091 1.00 0.00 C ATOM 765 OG SER A 47 -1.511 15.542 1.191 1.00 0.00 O ATOM 0 H SER A 47 -3.285 14.634 -0.563 1.00 0.00 H new ATOM 0 HA SER A 47 -1.113 15.615 -2.147 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.411 16.699 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.150 16.860 -0.260 1.00 0.00 H new ATOM 0 HG SER A 47 -1.059 14.672 1.205 1.00 0.00 H new ATOM 771 N TYR A 48 0.347 13.596 -2.025 1.00 0.00 N ATOM 772 CA TYR A 48 1.379 12.578 -1.923 1.00 0.00 C ATOM 773 C TYR A 48 2.694 13.179 -1.422 1.00 0.00 C ATOM 774 O TYR A 48 2.798 14.392 -1.244 1.00 0.00 O ATOM 775 CB TYR A 48 1.584 12.042 -3.341 1.00 0.00 C ATOM 776 CG TYR A 48 0.822 10.749 -3.634 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.556 10.726 -3.551 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.511 9.604 -3.981 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.274 9.509 -3.827 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.793 8.387 -4.257 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.564 8.399 -4.166 1.00 0.00 C ATOM 782 OH TYR A 48 -1.242 7.249 -4.426 1.00 0.00 O ATOM 0 H TYR A 48 0.169 13.929 -2.972 1.00 0.00 H new ATOM 0 HA TYR A 48 1.082 11.799 -1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.273 12.805 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.648 11.869 -3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.095 11.621 -3.279 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.589 9.621 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.352 9.478 -3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.320 7.485 -4.530 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.606 6.539 -4.656 1.00 0.00 H new ATOM 792 N THR A 49 3.665 12.303 -1.209 1.00 0.00 N ATOM 793 CA THR A 49 4.969 12.733 -0.733 1.00 0.00 C ATOM 794 C THR A 49 5.972 12.772 -1.887 1.00 0.00 C ATOM 795 O THR A 49 5.657 12.360 -3.002 1.00 0.00 O ATOM 796 CB THR A 49 5.387 11.799 0.405 1.00 0.00 C ATOM 797 OG1 THR A 49 5.765 10.594 -0.256 1.00 0.00 O ATOM 798 CG2 THR A 49 4.207 11.385 1.287 1.00 0.00 C ATOM 0 H THR A 49 3.575 11.298 -1.357 1.00 0.00 H new ATOM 0 HA THR A 49 4.933 13.750 -0.342 1.00 0.00 H new ATOM 0 HB THR A 49 6.143 12.290 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.052 9.933 0.408 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.559 10.723 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.755 12.272 1.730 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.465 10.864 0.681 1.00 0.00 H new ATOM 806 N ASP A 50 7.160 13.272 -1.580 1.00 0.00 N ATOM 807 CA ASP A 50 8.211 13.370 -2.577 1.00 0.00 C ATOM 808 C ASP A 50 9.166 12.185 -2.425 1.00 0.00 C ATOM 809 O ASP A 50 10.323 12.257 -2.838 1.00 0.00 O ATOM 810 CB ASP A 50 9.022 14.656 -2.399 1.00 0.00 C ATOM 811 CG ASP A 50 8.912 15.655 -3.552 1.00 0.00 C ATOM 812 OD1 ASP A 50 7.763 15.921 -3.965 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.980 16.130 -3.995 1.00 0.00 O ATOM 0 H ASP A 50 7.418 13.614 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 50 7.742 13.372 -3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.699 15.147 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.071 14.391 -2.267 1.00 0.00 H new ATOM 818 N ALA A 51 8.647 11.121 -1.830 1.00 0.00 N ATOM 819 CA ALA A 51 9.439 9.921 -1.618 1.00 0.00 C ATOM 820 C ALA A 51 8.889 8.791 -2.491 1.00 0.00 C ATOM 821 O ALA A 51 9.626 8.190 -3.272 1.00 0.00 O ATOM 822 CB ALA A 51 9.435 9.563 -0.131 1.00 0.00 C ATOM 0 H ALA A 51 7.688 11.065 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 51 10.476 10.089 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.029 8.663 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.862 10.386 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.411 9.385 0.198 1.00 0.00 H new ATOM 828 N ASN A 52 7.599 8.536 -2.330 1.00 0.00 N ATOM 829 CA ASN A 52 6.942 7.489 -3.094 1.00 0.00 C ATOM 830 C ASN A 52 6.992 7.841 -4.582 1.00 0.00 C ATOM 831 O ASN A 52 7.798 7.289 -5.328 1.00 0.00 O ATOM 832 CB ASN A 52 5.473 7.351 -2.689 1.00 0.00 C ATOM 833 CG ASN A 52 4.732 6.400 -3.631 1.00 0.00 C ATOM 834 OD1 ASN A 52 3.761 6.980 -4.331 1.00 0.00 O flip ATOM 835 ND2 ASN A 52 5.022 5.218 -3.716 1.00 0.00 N flip ATOM 0 H ASN A 52 6.991 9.036 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 52 7.460 6.551 -2.895 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.407 6.980 -1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.994 8.330 -2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.779 4.837 -3.149 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.507 4.611 -4.354 1.00 0.00 H new ATOM 842 N ILE A 53 6.119 8.760 -4.969 1.00 0.00 N ATOM 843 CA ILE A 53 6.053 9.193 -6.354 1.00 0.00 C ATOM 844 C ILE A 53 7.472 9.349 -6.904 1.00 0.00 C ATOM 845 O ILE A 53 7.720 9.079 -8.078 1.00 0.00 O ATOM 846 CB ILE A 53 5.202 10.459 -6.480 1.00 0.00 C ATOM 847 CG1 ILE A 53 3.712 10.116 -6.524 1.00 0.00 C ATOM 848 CG2 ILE A 53 5.634 11.292 -7.688 1.00 0.00 C ATOM 849 CD1 ILE A 53 2.857 11.347 -6.218 1.00 0.00 C ATOM 0 H ILE A 53 5.452 9.216 -4.347 1.00 0.00 H new ATOM 0 HA ILE A 53 5.555 8.440 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 53 5.366 11.070 -5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.454 9.725 -7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.495 9.329 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.013 12.186 -7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.678 11.583 -7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.519 10.702 -8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.802 11.076 -6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.100 11.721 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.059 12.123 -6.957 1.00 0.00 H new ATOM 861 N LYS A 54 8.367 9.783 -6.028 1.00 0.00 N ATOM 862 CA LYS A 54 9.755 9.978 -6.411 1.00 0.00 C ATOM 863 C LYS A 54 10.520 8.667 -6.223 1.00 0.00 C ATOM 864 O LYS A 54 11.637 8.664 -5.708 1.00 0.00 O ATOM 865 CB LYS A 54 10.360 11.158 -5.649 1.00 0.00 C ATOM 866 CG LYS A 54 9.535 12.430 -5.861 1.00 0.00 C ATOM 867 CD LYS A 54 9.989 13.174 -7.119 1.00 0.00 C ATOM 868 CE LYS A 54 9.344 14.559 -7.199 1.00 0.00 C ATOM 869 NZ LYS A 54 10.325 15.608 -6.841 1.00 0.00 N ATOM 0 H LYS A 54 8.158 10.005 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 54 9.826 10.240 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.406 10.923 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.384 11.325 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.479 12.173 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.635 13.081 -4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.074 13.274 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.726 12.594 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.967 14.734 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.488 14.608 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.097 16.485 -7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.287 15.784 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.281 15.293 -7.103 1.00 0.00 H new ATOM 883 N LYS A 55 9.889 7.584 -6.651 1.00 0.00 N ATOM 884 CA LYS A 55 10.496 6.269 -6.536 1.00 0.00 C ATOM 885 C LYS A 55 10.161 5.446 -7.781 1.00 0.00 C ATOM 886 O LYS A 55 11.040 4.819 -8.371 1.00 0.00 O ATOM 887 CB LYS A 55 10.078 5.598 -5.225 1.00 0.00 C ATOM 888 CG LYS A 55 11.217 4.748 -4.658 1.00 0.00 C ATOM 889 CD LYS A 55 11.492 3.535 -5.548 1.00 0.00 C ATOM 890 CE LYS A 55 12.964 3.480 -5.961 1.00 0.00 C ATOM 891 NZ LYS A 55 13.249 4.497 -6.998 1.00 0.00 N ATOM 0 H LYS A 55 8.963 7.590 -7.078 1.00 0.00 H new ATOM 0 HA LYS A 55 11.582 6.354 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.790 6.358 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.202 4.972 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.120 5.353 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.961 4.415 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.225 2.622 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.863 3.582 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.599 3.651 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.205 2.487 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.061 4.190 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.416 4.611 -7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.471 5.405 -6.542 1.00 0.00 H new ATOM 905 N ASN A 56 8.887 5.475 -8.146 1.00 0.00 N ATOM 906 CA ASN A 56 8.425 4.740 -9.311 1.00 0.00 C ATOM 907 C ASN A 56 8.160 3.285 -8.918 1.00 0.00 C ATOM 908 O ASN A 56 8.469 2.367 -9.676 1.00 0.00 O ATOM 909 CB ASN A 56 9.480 4.745 -10.419 1.00 0.00 C ATOM 910 CG ASN A 56 8.824 4.830 -11.799 1.00 0.00 C ATOM 911 OD1 ASN A 56 8.920 3.930 -12.617 1.00 0.00 O ATOM 912 ND2 ASN A 56 8.155 5.960 -12.012 1.00 0.00 N ATOM 0 H ASN A 56 8.161 5.996 -7.655 1.00 0.00 H new ATOM 0 HA ASN A 56 7.517 5.221 -9.675 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.155 5.590 -10.280 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.085 3.840 -10.355 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.683 6.113 -12.903 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.114 6.673 -11.284 1.00 0.00 H new ATOM 919 N VAL A 57 7.589 3.120 -7.734 1.00 0.00 N ATOM 920 CA VAL A 57 7.278 1.793 -7.231 1.00 0.00 C ATOM 921 C VAL A 57 6.097 1.219 -8.016 1.00 0.00 C ATOM 922 O VAL A 57 4.944 1.391 -7.624 1.00 0.00 O ATOM 923 CB VAL A 57 7.023 1.850 -5.724 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.018 2.952 -5.379 1.00 0.00 C ATOM 925 CG2 VAL A 57 6.552 0.494 -5.195 1.00 0.00 C ATOM 0 H VAL A 57 7.334 3.884 -7.108 1.00 0.00 H new ATOM 0 HA VAL A 57 8.124 1.121 -7.378 1.00 0.00 H new ATOM 0 HB VAL A 57 7.966 2.091 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.855 2.971 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.409 3.916 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.073 2.755 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.378 0.563 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.626 0.210 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.316 -0.258 -5.391 1.00 0.00 H new ATOM 935 N LEU A 58 6.425 0.548 -9.111 1.00 0.00 N ATOM 936 CA LEU A 58 5.405 -0.053 -9.954 1.00 0.00 C ATOM 937 C LEU A 58 4.658 -1.125 -9.158 1.00 0.00 C ATOM 938 O LEU A 58 5.143 -2.245 -9.012 1.00 0.00 O ATOM 939 CB LEU A 58 6.023 -0.571 -11.254 1.00 0.00 C ATOM 940 CG LEU A 58 5.049 -0.813 -12.409 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.771 0.483 -13.173 1.00 0.00 C ATOM 942 CD2 LEU A 58 5.556 -1.924 -13.331 1.00 0.00 C ATOM 0 H LEU A 58 7.382 0.407 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 58 4.669 0.693 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.777 0.143 -11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.541 -1.506 -11.040 1.00 0.00 H new ATOM 0 HG LEU A 58 4.101 -1.150 -11.990 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.076 0.283 -13.988 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.335 1.218 -12.496 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.704 0.873 -13.579 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.845 -2.076 -14.143 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.524 -1.640 -13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.661 -2.849 -12.763 1.00 0.00 H new ATOM 954 N TRP A 59 3.489 -0.742 -8.665 1.00 0.00 N ATOM 955 CA TRP A 59 2.670 -1.657 -7.888 1.00 0.00 C ATOM 956 C TRP A 59 2.291 -2.834 -8.789 1.00 0.00 C ATOM 957 O TRP A 59 1.630 -2.651 -9.810 1.00 0.00 O ATOM 958 CB TRP A 59 1.454 -0.939 -7.300 1.00 0.00 C ATOM 959 CG TRP A 59 1.781 0.403 -6.641 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.424 1.629 -7.045 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.552 0.604 -5.437 1.00 0.00 C ATOM 962 NE1 TRP A 59 1.906 2.603 -6.193 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.613 1.959 -5.185 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.176 -0.328 -4.590 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.289 2.505 -4.086 1.00 0.00 C ATOM 966 CZ3 TRP A 59 3.847 0.233 -3.497 1.00 0.00 C ATOM 967 CH2 TRP A 59 3.918 1.595 -3.228 1.00 0.00 C ATOM 0 H TRP A 59 3.090 0.189 -8.788 1.00 0.00 H new ATOM 0 HA TRP A 59 3.225 -2.039 -7.031 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.724 -0.774 -8.093 1.00 0.00 H new ATOM 0 HB3 TRP A 59 0.983 -1.589 -6.563 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.833 1.831 -7.926 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.768 3.609 -6.286 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.141 -1.393 -4.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.323 3.570 -3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.345 -0.440 -2.814 1.00 0.00 H new ATOM 0 HH2 TRP A 59 4.456 1.949 -2.361 1.00 0.00 H new ATOM 978 N ASP A 60 2.725 -4.016 -8.378 1.00 0.00 N ATOM 979 CA ASP A 60 2.440 -5.223 -9.135 1.00 0.00 C ATOM 980 C ASP A 60 2.025 -6.338 -8.172 1.00 0.00 C ATOM 981 O ASP A 60 0.861 -6.732 -8.139 1.00 0.00 O ATOM 982 CB ASP A 60 3.676 -5.697 -9.902 1.00 0.00 C ATOM 983 CG ASP A 60 3.446 -5.977 -11.389 1.00 0.00 C ATOM 984 OD1 ASP A 60 3.484 -4.996 -12.163 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.237 -7.164 -11.717 1.00 0.00 O ATOM 0 H ASP A 60 3.272 -4.164 -7.530 1.00 0.00 H new ATOM 0 HA ASP A 60 1.642 -4.997 -9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.456 -4.942 -9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.052 -6.605 -9.430 1.00 0.00 H new ATOM 990 N GLU A 61 3.001 -6.814 -7.413 1.00 0.00 N ATOM 991 CA GLU A 61 2.752 -7.875 -6.452 1.00 0.00 C ATOM 992 C GLU A 61 3.960 -8.051 -5.530 1.00 0.00 C ATOM 993 O GLU A 61 3.949 -7.586 -4.391 1.00 0.00 O ATOM 994 CB GLU A 61 2.409 -9.187 -7.161 1.00 0.00 C ATOM 995 CG GLU A 61 2.085 -10.288 -6.150 1.00 0.00 C ATOM 996 CD GLU A 61 2.280 -11.674 -6.767 1.00 0.00 C ATOM 997 OE1 GLU A 61 3.280 -11.834 -7.499 1.00 0.00 O ATOM 998 OE2 GLU A 61 1.424 -12.543 -6.493 1.00 0.00 O ATOM 0 H GLU A 61 3.966 -6.484 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 61 1.893 -7.593 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.557 -9.035 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.247 -9.497 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.726 -10.182 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.056 -10.180 -5.807 1.00 0.00 H new ATOM 1005 N ASN A 62 4.974 -8.722 -6.056 1.00 0.00 N ATOM 1006 CA ASN A 62 6.187 -8.964 -5.294 1.00 0.00 C ATOM 1007 C ASN A 62 6.829 -7.625 -4.926 1.00 0.00 C ATOM 1008 O ASN A 62 7.400 -7.483 -3.846 1.00 0.00 O ATOM 1009 CB ASN A 62 7.201 -9.766 -6.113 1.00 0.00 C ATOM 1010 CG ASN A 62 6.871 -11.259 -6.084 1.00 0.00 C ATOM 1011 OD1 ASN A 62 5.570 -11.525 -6.022 1.00 0.00 O flip ATOM 1012 ND2 ASN A 62 7.741 -12.114 -6.116 1.00 0.00 N flip ATOM 0 H ASN A 62 4.980 -9.106 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 62 5.918 -9.528 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.204 -9.411 -7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.203 -9.604 -5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.723 -11.841 -6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.487 -13.102 -6.095 1.00 0.00 H new ATOM 1019 N ASN A 63 6.714 -6.678 -5.845 1.00 0.00 N ATOM 1020 CA ASN A 63 7.276 -5.355 -5.631 1.00 0.00 C ATOM 1021 C ASN A 63 6.583 -4.698 -4.436 1.00 0.00 C ATOM 1022 O ASN A 63 7.228 -4.374 -3.440 1.00 0.00 O ATOM 1023 CB ASN A 63 7.060 -4.460 -6.853 1.00 0.00 C ATOM 1024 CG ASN A 63 7.660 -3.071 -6.628 1.00 0.00 C ATOM 1025 OD1 ASN A 63 8.747 -2.914 -6.096 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.893 -2.074 -7.061 1.00 0.00 N ATOM 0 H ASN A 63 6.240 -6.800 -6.740 1.00 0.00 H new ATOM 0 HA ASN A 63 8.345 -5.468 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.516 -4.919 -7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.993 -4.370 -7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.205 -1.108 -6.956 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.993 -2.275 -7.498 1.00 0.00 H new ATOM 1033 N MET A 64 5.277 -4.522 -4.574 1.00 0.00 N ATOM 1034 CA MET A 64 4.488 -3.910 -3.518 1.00 0.00 C ATOM 1035 C MET A 64 4.700 -4.633 -2.186 1.00 0.00 C ATOM 1036 O MET A 64 4.839 -3.995 -1.144 1.00 0.00 O ATOM 1037 CB MET A 64 3.006 -3.957 -3.894 1.00 0.00 C ATOM 1038 CG MET A 64 2.152 -3.235 -2.850 1.00 0.00 C ATOM 1039 SD MET A 64 0.430 -3.642 -3.083 1.00 0.00 S ATOM 1040 CE MET A 64 -0.063 -2.301 -4.153 1.00 0.00 C ATOM 0 H MET A 64 4.745 -4.793 -5.401 1.00 0.00 H new ATOM 0 HA MET A 64 4.810 -2.875 -3.404 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.860 -3.495 -4.871 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.682 -4.994 -3.980 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.469 -3.521 -1.847 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.294 -2.158 -2.934 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.022 -1.903 -3.820 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.689 -1.512 -4.118 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.157 -2.667 -5.175 1.00 0.00 H new ATOM 1050 N SER A 65 4.717 -5.956 -2.264 1.00 0.00 N ATOM 1051 CA SER A 65 4.910 -6.773 -1.078 1.00 0.00 C ATOM 1052 C SER A 65 6.150 -6.304 -0.314 1.00 0.00 C ATOM 1053 O SER A 65 6.118 -6.172 0.908 1.00 0.00 O ATOM 1054 CB SER A 65 5.040 -8.253 -1.443 1.00 0.00 C ATOM 1055 OG SER A 65 5.403 -9.051 -0.320 1.00 0.00 O ATOM 0 H SER A 65 4.600 -6.482 -3.130 1.00 0.00 H new ATOM 0 HA SER A 65 4.034 -6.660 -0.440 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.094 -8.610 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.789 -8.368 -2.227 1.00 0.00 H new ATOM 0 HG SER A 65 5.629 -9.956 -0.621 1.00 0.00 H new ATOM 1061 N GLU A 66 7.213 -6.064 -1.067 1.00 0.00 N ATOM 1062 CA GLU A 66 8.461 -5.611 -0.477 1.00 0.00 C ATOM 1063 C GLU A 66 8.260 -4.267 0.226 1.00 0.00 C ATOM 1064 O GLU A 66 8.838 -4.024 1.284 1.00 0.00 O ATOM 1065 CB GLU A 66 9.565 -5.519 -1.532 1.00 0.00 C ATOM 1066 CG GLU A 66 10.950 -5.598 -0.886 1.00 0.00 C ATOM 1067 CD GLU A 66 12.042 -5.193 -1.878 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.855 -5.488 -3.079 1.00 0.00 O ATOM 1069 OE2 GLU A 66 13.039 -4.599 -1.414 1.00 0.00 O ATOM 0 H GLU A 66 7.236 -6.175 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 66 8.775 -6.343 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.450 -6.327 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.470 -4.583 -2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.986 -4.945 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.133 -6.613 -0.533 1.00 0.00 H new ATOM 1076 N TYR A 67 7.439 -3.430 -0.391 1.00 0.00 N ATOM 1077 CA TYR A 67 7.155 -2.117 0.162 1.00 0.00 C ATOM 1078 C TYR A 67 6.241 -2.224 1.385 1.00 0.00 C ATOM 1079 O TYR A 67 6.375 -1.452 2.333 1.00 0.00 O ATOM 1080 CB TYR A 67 6.425 -1.345 -0.939 1.00 0.00 C ATOM 1081 CG TYR A 67 5.600 -0.162 -0.427 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.235 0.953 0.081 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.222 -0.210 -0.475 1.00 0.00 C ATOM 1084 CE1 TYR A 67 5.459 2.066 0.563 1.00 0.00 C ATOM 1085 CE2 TYR A 67 3.446 0.903 0.007 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.102 1.986 0.501 1.00 0.00 C ATOM 1087 OH TYR A 67 3.369 3.038 0.956 1.00 0.00 O ATOM 0 H TYR A 67 6.961 -3.636 -1.269 1.00 0.00 H new ATOM 0 HA TYR A 67 8.075 -1.626 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.157 -0.980 -1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.767 -2.030 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.314 0.991 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.725 -1.082 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.943 2.944 0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.367 0.878 -0.023 1.00 0.00 H new ATOM 0 HH TYR A 67 3.325 3.007 1.935 1.00 0.00 H new ATOM 1097 N LEU A 68 5.333 -3.187 1.323 1.00 0.00 N ATOM 1098 CA LEU A 68 4.398 -3.404 2.414 1.00 0.00 C ATOM 1099 C LEU A 68 5.159 -3.913 3.639 1.00 0.00 C ATOM 1100 O LEU A 68 4.966 -3.413 4.746 1.00 0.00 O ATOM 1101 CB LEU A 68 3.261 -4.326 1.969 1.00 0.00 C ATOM 1102 CG LEU A 68 2.400 -3.819 0.810 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.643 -4.970 0.145 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.459 -2.706 1.273 1.00 0.00 C ATOM 0 H LEU A 68 5.225 -3.825 0.535 1.00 0.00 H new ATOM 0 HA LEU A 68 3.923 -2.466 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.690 -5.287 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.612 -4.508 2.825 1.00 0.00 H new ATOM 0 HG LEU A 68 3.060 -3.390 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.039 -4.582 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.355 -5.699 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.995 -5.450 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.858 -2.363 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.803 -3.087 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.044 -1.874 1.664 1.00 0.00 H new ATOM 1116 N THR A 69 6.008 -4.901 3.400 1.00 0.00 N ATOM 1117 CA THR A 69 6.799 -5.484 4.471 1.00 0.00 C ATOM 1118 C THR A 69 7.837 -4.479 4.974 1.00 0.00 C ATOM 1119 O THR A 69 8.027 -4.328 6.180 1.00 0.00 O ATOM 1120 CB THR A 69 7.415 -6.784 3.950 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.134 -7.300 5.067 1.00 0.00 O ATOM 1122 CG2 THR A 69 8.494 -6.539 2.893 1.00 0.00 C ATOM 0 H THR A 69 6.166 -5.313 2.480 1.00 0.00 H new ATOM 0 HA THR A 69 6.179 -5.724 5.335 1.00 0.00 H new ATOM 0 HB THR A 69 6.631 -7.413 3.529 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.543 -7.335 5.848 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.898 -7.494 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.059 -6.011 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.295 -5.937 3.323 1.00 0.00 H new ATOM 1130 N ASN A 70 8.483 -3.818 4.024 1.00 0.00 N ATOM 1131 CA ASN A 70 9.497 -2.831 4.356 1.00 0.00 C ATOM 1132 C ASN A 70 9.216 -1.539 3.587 1.00 0.00 C ATOM 1133 O ASN A 70 9.914 -1.219 2.627 1.00 0.00 O ATOM 1134 CB ASN A 70 10.892 -3.322 3.963 1.00 0.00 C ATOM 1135 CG ASN A 70 11.962 -2.722 4.877 1.00 0.00 C ATOM 1136 OD1 ASN A 70 11.770 -1.699 5.513 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.097 -3.415 4.908 1.00 0.00 N ATOM 0 H ASN A 70 8.324 -3.947 3.025 1.00 0.00 H new ATOM 0 HA ASN A 70 9.464 -2.662 5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.928 -4.410 4.020 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.099 -3.050 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.873 -3.097 5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.192 -4.264 4.351 1.00 0.00 H new ATOM 1144 N PRO A 71 8.164 -0.811 4.051 1.00 0.00 N ATOM 1145 CA PRO A 71 7.783 0.440 3.418 1.00 0.00 C ATOM 1146 C PRO A 71 8.761 1.559 3.779 1.00 0.00 C ATOM 1147 O PRO A 71 8.934 2.439 2.955 1.00 0.00 O ATOM 1148 CB PRO A 71 6.367 0.709 3.901 1.00 0.00 C ATOM 1149 CG PRO A 71 6.180 -0.148 5.142 1.00 0.00 C ATOM 1150 CD PRO A 71 7.315 -1.159 5.186 1.00 0.00 C ATOM 0 HA PRO A 71 7.816 0.388 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.227 1.765 4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.637 0.450 3.134 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.186 0.472 6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.216 -0.657 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.864 -1.097 6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.940 -2.179 5.102 1.00 0.00 H new HETATM 1158 N M3L A 72 9.324 1.446 4.972 1.00 0.00 N HETATM 1159 CA M3L A 72 10.262 2.461 5.496 1.00 0.00 C HETATM 1160 CB M3L A 72 10.359 2.301 7.026 1.00 0.00 C HETATM 1161 CG M3L A 72 10.174 3.725 7.552 1.00 0.00 C HETATM 1162 CD M3L A 72 10.664 3.880 9.004 1.00 0.00 C HETATM 1163 CE M3L A 72 9.792 4.987 9.628 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.664 4.437 10.395 1.00 0.00 N HETATM 1165 C M3L A 72 11.665 2.428 4.950 1.00 0.00 C HETATM 1166 O M3L A 72 12.396 3.415 5.008 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.878 5.658 10.697 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.910 3.502 9.535 1.00 0.00 C HETATM 1169 CM3 M3L A 72 9.122 3.756 11.617 1.00 0.00 C HETATM 0 HM33 M3L A 72 9.788 2.936 11.349 1.00 0.00 H new HETATM 0 HM32 M3L A 72 9.656 4.465 12.250 1.00 0.00 H new HETATM 0 HM31 M3L A 72 8.262 3.362 12.158 1.00 0.00 H new HETATM 0 HM23 M3L A 72 7.536 4.034 8.660 1.00 0.00 H new HETATM 0 HM22 M3L A 72 8.566 2.693 9.214 1.00 0.00 H new HETATM 0 HM21 M3L A 72 7.071 3.089 10.095 1.00 0.00 H new HETATM 0 HM13 M3L A 72 8.490 6.352 11.273 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.571 6.133 9.765 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.994 5.388 11.275 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.717 4.420 6.911 1.00 0.00 H new HETATM 0 HG2 M3L A 72 9.120 3.997 7.496 1.00 0.00 H new HETATM 0 HE3 M3L A 72 10.406 5.606 10.281 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.411 5.636 8.839 1.00 0.00 H new HETATM 0 HD3 M3L A 72 10.560 2.944 9.553 1.00 0.00 H new HETATM 0 HD2 M3L A 72 11.719 4.151 9.033 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.590 1.630 7.408 1.00 0.00 H new HETATM 0 HB2 M3L A 72 11.321 1.886 7.325 1.00 0.00 H new HETATM 0 HA M3L A 72 9.840 3.413 5.173 1.00 0.00 H new HETATM 0 H M3L A 72 8.869 0.794 5.611 1.00 0.00 H new ATOM 1189 N LYS A 73 11.977 1.299 4.331 1.00 0.00 N ATOM 1190 CA LYS A 73 13.253 1.144 3.654 1.00 0.00 C ATOM 1191 C LYS A 73 13.071 1.427 2.162 1.00 0.00 C ATOM 1192 O LYS A 73 13.531 2.451 1.660 1.00 0.00 O ATOM 1193 CB LYS A 73 13.853 -0.232 3.951 1.00 0.00 C ATOM 1194 CG LYS A 73 15.280 -0.336 3.409 1.00 0.00 C ATOM 1195 CD LYS A 73 16.306 -0.169 4.532 1.00 0.00 C ATOM 1196 CE LYS A 73 17.622 -0.866 4.181 1.00 0.00 C ATOM 1197 NZ LYS A 73 18.775 -0.062 4.644 1.00 0.00 N ATOM 0 H LYS A 73 11.368 0.482 4.284 1.00 0.00 H new ATOM 0 HA LYS A 73 13.975 1.869 4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.855 -0.407 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.232 -1.008 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.419 -1.303 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.441 0.428 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.488 0.891 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.907 -0.583 5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.651 -1.853 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.685 -1.015 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.660 -0.550 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.754 0.871 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.722 0.059 5.676 1.00 0.00 H new ATOM 1211 N TYR A 74 12.399 0.500 1.494 1.00 0.00 N ATOM 1212 CA TYR A 74 12.151 0.637 0.069 1.00 0.00 C ATOM 1213 C TYR A 74 11.845 2.091 -0.297 1.00 0.00 C ATOM 1214 O TYR A 74 12.428 2.635 -1.234 1.00 0.00 O ATOM 1215 CB TYR A 74 10.920 -0.221 -0.229 1.00 0.00 C ATOM 1216 CG TYR A 74 10.613 -0.372 -1.720 1.00 0.00 C ATOM 1217 CD1 TYR A 74 10.262 0.734 -2.468 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.687 -1.614 -2.318 1.00 0.00 C ATOM 1219 CE1 TYR A 74 9.973 0.592 -3.872 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.397 -1.756 -3.721 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.055 -0.646 -4.429 1.00 0.00 C ATOM 1222 OH TYR A 74 9.782 -0.780 -5.755 1.00 0.00 O ATOM 0 H TYR A 74 12.019 -0.348 1.914 1.00 0.00 H new ATOM 0 HA TYR A 74 13.025 0.328 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.066 -1.211 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.055 0.219 0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.204 1.706 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.962 -2.479 -1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.698 1.449 -4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.450 -2.722 -4.201 1.00 0.00 H new ATOM 0 HH TYR A 74 9.523 -1.706 -5.944 1.00 0.00 H new ATOM 1232 N ILE A 75 10.932 2.679 0.461 1.00 0.00 N ATOM 1233 CA ILE A 75 10.542 4.059 0.228 1.00 0.00 C ATOM 1234 C ILE A 75 11.220 4.958 1.264 1.00 0.00 C ATOM 1235 O ILE A 75 10.845 4.956 2.435 1.00 0.00 O ATOM 1236 CB ILE A 75 9.017 4.189 0.206 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.391 3.142 -0.718 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.593 5.610 -0.167 1.00 0.00 C ATOM 1239 CD1 ILE A 75 8.521 3.558 -2.184 1.00 0.00 C ATOM 0 H ILE A 75 10.451 2.225 1.237 1.00 0.00 H new ATOM 0 HA ILE A 75 10.882 4.390 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 75 8.643 3.996 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.878 2.179 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.339 3.011 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.505 5.675 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.993 6.313 0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.979 5.857 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.068 2.797 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.012 4.510 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.575 3.664 -2.440 1.00 0.00 H new ATOM 1251 N PRO A 76 12.235 5.726 0.782 1.00 0.00 N ATOM 1252 CA PRO A 76 12.969 6.628 1.652 1.00 0.00 C ATOM 1253 C PRO A 76 12.139 7.870 1.981 1.00 0.00 C ATOM 1254 O PRO A 76 12.057 8.797 1.176 1.00 0.00 O ATOM 1255 CB PRO A 76 14.247 6.950 0.896 1.00 0.00 C ATOM 1256 CG PRO A 76 13.974 6.593 -0.556 1.00 0.00 C ATOM 1257 CD PRO A 76 12.707 5.755 -0.599 1.00 0.00 C ATOM 0 HA PRO A 76 13.197 6.185 2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.505 8.004 0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.087 6.377 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.855 7.496 -1.155 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.813 6.039 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.963 6.196 -1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.909 4.750 -0.970 1.00 0.00 H new ATOM 1265 N GLY A 77 11.544 7.849 3.164 1.00 0.00 N ATOM 1266 CA GLY A 77 10.723 8.962 3.609 1.00 0.00 C ATOM 1267 C GLY A 77 9.246 8.715 3.293 1.00 0.00 C ATOM 1268 O GLY A 77 8.598 9.543 2.655 1.00 0.00 O ATOM 0 H GLY A 77 11.614 7.078 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.850 9.106 4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.054 9.880 3.123 1.00 0.00 H new ATOM 1272 N THR A 78 8.758 7.573 3.754 1.00 0.00 N ATOM 1273 CA THR A 78 7.371 7.207 3.528 1.00 0.00 C ATOM 1274 C THR A 78 6.562 7.362 4.818 1.00 0.00 C ATOM 1275 O THR A 78 6.801 6.653 5.794 1.00 0.00 O ATOM 1276 CB THR A 78 7.343 5.787 2.960 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.077 5.697 2.311 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.277 4.719 4.055 1.00 0.00 C ATOM 0 H THR A 78 9.299 6.889 4.283 1.00 0.00 H new ATOM 0 HA THR A 78 6.899 7.871 2.804 1.00 0.00 H new ATOM 0 HB THR A 78 8.229 5.624 2.347 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.976 4.807 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.259 3.730 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.151 4.805 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.373 4.861 4.648 1.00 0.00 H new ATOM 1286 N LYS A 79 5.620 8.293 4.780 1.00 0.00 N ATOM 1287 CA LYS A 79 4.775 8.550 5.933 1.00 0.00 C ATOM 1288 C LYS A 79 4.156 7.234 6.409 1.00 0.00 C ATOM 1289 O LYS A 79 3.755 7.116 7.566 1.00 0.00 O ATOM 1290 CB LYS A 79 3.744 9.634 5.611 1.00 0.00 C ATOM 1291 CG LYS A 79 2.815 9.878 6.802 1.00 0.00 C ATOM 1292 CD LYS A 79 2.249 11.299 6.773 1.00 0.00 C ATOM 1293 CE LYS A 79 3.033 12.220 7.709 1.00 0.00 C ATOM 1294 NZ LYS A 79 2.293 13.483 7.934 1.00 0.00 N ATOM 0 H LYS A 79 5.424 8.879 3.968 1.00 0.00 H new ATOM 0 HA LYS A 79 5.367 8.942 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.255 10.560 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.157 9.336 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.998 9.157 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.361 9.719 7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.288 11.689 5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.200 11.283 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.206 11.719 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.011 12.436 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.839 14.097 8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.150 13.968 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.369 13.272 8.363 1.00 0.00 H new ATOM 1308 N MET A 80 4.097 6.279 5.493 1.00 0.00 N ATOM 1309 CA MET A 80 3.534 4.976 5.805 1.00 0.00 C ATOM 1310 C MET A 80 4.308 4.301 6.939 1.00 0.00 C ATOM 1311 O MET A 80 5.251 3.551 6.691 1.00 0.00 O ATOM 1312 CB MET A 80 3.577 4.090 4.559 1.00 0.00 C ATOM 1313 CG MET A 80 3.067 2.681 4.870 1.00 0.00 C ATOM 1314 SD MET A 80 2.586 1.859 3.361 1.00 0.00 S ATOM 1315 CE MET A 80 2.334 0.202 3.977 1.00 0.00 C ATOM 0 H MET A 80 4.430 6.381 4.534 1.00 0.00 H new ATOM 0 HA MET A 80 2.502 5.115 6.128 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.969 4.535 3.771 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.598 4.036 4.182 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.844 2.107 5.375 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.218 2.735 5.551 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.635 -0.325 3.328 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.286 -0.329 3.993 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.927 0.247 4.987 1.00 0.00 H new ATOM 1325 N ALA A 81 3.882 4.593 8.159 1.00 0.00 N ATOM 1326 CA ALA A 81 4.523 4.024 9.332 1.00 0.00 C ATOM 1327 C ALA A 81 3.841 2.701 9.689 1.00 0.00 C ATOM 1328 O ALA A 81 3.035 2.645 10.616 1.00 0.00 O ATOM 1329 CB ALA A 81 4.475 5.033 10.481 1.00 0.00 C ATOM 0 H ALA A 81 3.100 5.217 8.361 1.00 0.00 H new ATOM 0 HA ALA A 81 5.573 3.810 9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.956 4.606 11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.998 5.943 10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.437 5.270 10.714 1.00 0.00 H new ATOM 1335 N PHE A 82 4.191 1.669 8.935 1.00 0.00 N ATOM 1336 CA PHE A 82 3.623 0.351 9.161 1.00 0.00 C ATOM 1337 C PHE A 82 4.649 -0.585 9.803 1.00 0.00 C ATOM 1338 O PHE A 82 5.806 -0.622 9.388 1.00 0.00 O ATOM 1339 CB PHE A 82 3.228 -0.206 7.792 1.00 0.00 C ATOM 1340 CG PHE A 82 2.753 -1.660 7.825 1.00 0.00 C ATOM 1341 CD1 PHE A 82 2.020 -2.112 8.878 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.063 -2.501 6.802 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.579 -3.461 8.909 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.622 -3.850 6.833 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.889 -4.302 7.885 1.00 0.00 C ATOM 0 H PHE A 82 4.861 1.719 8.167 1.00 0.00 H new ATOM 0 HA PHE A 82 2.768 0.424 9.833 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.436 0.415 7.373 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.082 -0.129 7.120 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.774 -1.445 9.690 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.645 -2.142 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.997 -3.820 9.745 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.869 -4.517 6.021 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.553 -5.328 7.908 1.00 0.00 H new ATOM 1355 N GLY A 83 4.187 -1.319 10.805 1.00 0.00 N ATOM 1356 CA GLY A 83 5.049 -2.253 11.508 1.00 0.00 C ATOM 1357 C GLY A 83 6.002 -2.955 10.539 1.00 0.00 C ATOM 1358 O GLY A 83 7.218 -2.923 10.725 1.00 0.00 O ATOM 0 H GLY A 83 3.226 -1.285 11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.623 -1.723 12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.441 -2.994 12.027 1.00 0.00 H new ATOM 1362 N GLY A 84 5.415 -3.575 9.526 1.00 0.00 N ATOM 1363 CA GLY A 84 6.196 -4.284 8.528 1.00 0.00 C ATOM 1364 C GLY A 84 5.959 -5.793 8.616 1.00 0.00 C ATOM 1365 O GLY A 84 6.477 -6.455 9.515 1.00 0.00 O ATOM 0 H GLY A 84 4.407 -3.601 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.930 -3.928 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.255 -4.070 8.671 1.00 0.00 H new ATOM 1369 N LEU A 85 5.177 -6.293 7.672 1.00 0.00 N ATOM 1370 CA LEU A 85 4.865 -7.712 7.632 1.00 0.00 C ATOM 1371 C LEU A 85 6.162 -8.518 7.722 1.00 0.00 C ATOM 1372 O LEU A 85 7.248 -7.946 7.800 1.00 0.00 O ATOM 1373 CB LEU A 85 4.021 -8.040 6.398 1.00 0.00 C ATOM 1374 CG LEU A 85 2.581 -7.525 6.414 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.920 -7.703 5.045 1.00 0.00 C ATOM 1376 CD2 LEU A 85 1.773 -8.189 7.531 1.00 0.00 C ATOM 0 H LEU A 85 4.750 -5.741 6.928 1.00 0.00 H new ATOM 0 HA LEU A 85 4.255 -7.992 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.522 -7.631 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.997 -9.123 6.276 1.00 0.00 H new ATOM 0 HG LEU A 85 2.603 -6.456 6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.897 -7.329 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.482 -7.147 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.910 -8.760 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.753 -7.805 7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.756 -9.268 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.233 -7.968 8.494 1.00 0.00 H new ATOM 1388 N LYS A 86 6.006 -9.833 7.708 1.00 0.00 N ATOM 1389 CA LYS A 86 7.152 -10.723 7.788 1.00 0.00 C ATOM 1390 C LYS A 86 6.739 -12.121 7.322 1.00 0.00 C ATOM 1391 O LYS A 86 7.420 -12.731 6.499 1.00 0.00 O ATOM 1392 CB LYS A 86 7.755 -10.696 9.193 1.00 0.00 C ATOM 1393 CG LYS A 86 9.255 -10.997 9.153 1.00 0.00 C ATOM 1394 CD LYS A 86 9.610 -12.144 10.100 1.00 0.00 C ATOM 1395 CE LYS A 86 10.004 -13.399 9.317 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.464 -14.462 10.239 1.00 0.00 N ATOM 0 H LYS A 86 5.104 -10.304 7.642 1.00 0.00 H new ATOM 0 HA LYS A 86 7.945 -10.385 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.589 -9.718 9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.250 -11.428 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.550 -11.256 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.816 -10.105 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.432 -11.843 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.759 -12.365 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.152 -13.756 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.795 -13.158 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.727 -15.306 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.290 -14.124 10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.698 -14.703 10.900 1.00 0.00 H new ATOM 1410 N LYS A 87 5.627 -12.588 7.870 1.00 0.00 N ATOM 1411 CA LYS A 87 5.116 -13.903 7.521 1.00 0.00 C ATOM 1412 C LYS A 87 4.606 -13.881 6.079 1.00 0.00 C ATOM 1413 O LYS A 87 3.430 -13.616 5.836 1.00 0.00 O ATOM 1414 CB LYS A 87 4.065 -14.356 8.537 1.00 0.00 C ATOM 1415 CG LYS A 87 4.728 -14.945 9.785 1.00 0.00 C ATOM 1416 CD LYS A 87 5.329 -16.321 9.489 1.00 0.00 C ATOM 1417 CE LYS A 87 6.740 -16.438 10.068 1.00 0.00 C ATOM 1418 NZ LYS A 87 7.752 -16.336 8.992 1.00 0.00 N ATOM 0 H LYS A 87 5.065 -12.080 8.553 1.00 0.00 H new ATOM 0 HA LYS A 87 5.913 -14.646 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.438 -13.510 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.411 -15.100 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.509 -14.272 10.139 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.993 -15.030 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.693 -17.098 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.359 -16.485 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.903 -15.652 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.848 -17.390 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.702 -16.468 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.574 -17.070 8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.692 -15.398 8.547 1.00 0.00 H new ATOM 1432 N GLU A 88 5.518 -14.163 5.159 1.00 0.00 N ATOM 1433 CA GLU A 88 5.175 -14.179 3.747 1.00 0.00 C ATOM 1434 C GLU A 88 3.803 -14.823 3.541 1.00 0.00 C ATOM 1435 O GLU A 88 3.077 -14.463 2.616 1.00 0.00 O ATOM 1436 CB GLU A 88 6.249 -14.902 2.931 1.00 0.00 C ATOM 1437 CG GLU A 88 7.211 -13.904 2.284 1.00 0.00 C ATOM 1438 CD GLU A 88 7.485 -14.273 0.825 1.00 0.00 C ATOM 1439 OE1 GLU A 88 8.229 -15.255 0.618 1.00 0.00 O ATOM 1440 OE2 GLU A 88 6.944 -13.564 -0.051 1.00 0.00 O ATOM 0 H GLU A 88 6.493 -14.382 5.364 1.00 0.00 H new ATOM 0 HA GLU A 88 5.127 -13.149 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.805 -15.582 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.777 -15.510 2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.789 -12.901 2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.148 -13.884 2.840 1.00 0.00 H new ATOM 1447 N LYS A 89 3.489 -15.766 4.418 1.00 0.00 N ATOM 1448 CA LYS A 89 2.217 -16.463 4.343 1.00 0.00 C ATOM 1449 C LYS A 89 1.083 -15.440 4.262 1.00 0.00 C ATOM 1450 O LYS A 89 0.389 -15.356 3.250 1.00 0.00 O ATOM 1451 CB LYS A 89 2.076 -17.446 5.507 1.00 0.00 C ATOM 1452 CG LYS A 89 3.377 -18.218 5.734 1.00 0.00 C ATOM 1453 CD LYS A 89 3.111 -19.721 5.847 1.00 0.00 C ATOM 1454 CE LYS A 89 3.746 -20.479 4.679 1.00 0.00 C ATOM 1455 NZ LYS A 89 5.202 -20.635 4.892 1.00 0.00 N ATOM 0 H LYS A 89 4.094 -16.063 5.184 1.00 0.00 H new ATOM 0 HA LYS A 89 2.167 -17.067 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.807 -16.905 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.265 -18.145 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.065 -18.028 4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.862 -17.862 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.512 -20.095 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.037 -19.904 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.280 -21.459 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.564 -19.942 3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.617 -21.151 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.645 -19.697 4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.369 -21.167 5.770 1.00 0.00 H new ATOM 1469 N ASP A 90 0.930 -14.686 5.341 1.00 0.00 N ATOM 1470 CA ASP A 90 -0.108 -13.672 5.404 1.00 0.00 C ATOM 1471 C ASP A 90 0.067 -12.696 4.239 1.00 0.00 C ATOM 1472 O ASP A 90 -0.903 -12.336 3.574 1.00 0.00 O ATOM 1473 CB ASP A 90 -0.020 -12.874 6.707 1.00 0.00 C ATOM 1474 CG ASP A 90 -1.007 -13.302 7.795 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -2.187 -13.510 7.440 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -0.559 -13.410 8.957 1.00 0.00 O ATOM 0 H ASP A 90 1.508 -14.757 6.178 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.074 -14.175 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.992 -12.961 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.185 -11.820 6.482 1.00 0.00 H new ATOM 1481 N ARG A 91 1.312 -12.294 4.027 1.00 0.00 N ATOM 1482 CA ARG A 91 1.627 -11.367 2.954 1.00 0.00 C ATOM 1483 C ARG A 91 1.098 -11.898 1.621 1.00 0.00 C ATOM 1484 O ARG A 91 0.546 -11.143 0.822 1.00 0.00 O ATOM 1485 CB ARG A 91 3.137 -11.144 2.844 1.00 0.00 C ATOM 1486 CG ARG A 91 3.741 -10.797 4.207 1.00 0.00 C ATOM 1487 CD ARG A 91 5.130 -10.175 4.048 1.00 0.00 C ATOM 1488 NE ARG A 91 6.172 -11.180 4.354 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.439 -11.103 3.924 1.00 0.00 C ATOM 1490 NH1 ARG A 91 7.828 -10.068 3.168 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.317 -12.062 4.250 1.00 0.00 N ATOM 0 H ARG A 91 2.114 -12.594 4.581 1.00 0.00 H new ATOM 0 HA ARG A 91 1.147 -10.416 3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.613 -12.042 2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.339 -10.339 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.086 -10.103 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.809 -11.697 4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.258 -9.805 3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.232 -9.318 4.714 1.00 0.00 H new ATOM 0 HE ARG A 91 5.910 -11.981 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.160 -9.338 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.792 -10.009 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.021 -12.850 4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.281 -12.003 3.923 1.00 0.00 H new ATOM 1505 N ASN A 92 1.286 -13.195 1.421 1.00 0.00 N ATOM 1506 CA ASN A 92 0.834 -13.836 0.198 1.00 0.00 C ATOM 1507 C ASN A 92 -0.695 -13.823 0.154 1.00 0.00 C ATOM 1508 O ASN A 92 -1.288 -13.436 -0.852 1.00 0.00 O ATOM 1509 CB ASN A 92 1.296 -15.294 0.138 1.00 0.00 C ATOM 1510 CG ASN A 92 2.821 -15.382 0.041 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.367 -16.247 0.891 1.00 0.00 O flip ATOM 1512 ND2 ASN A 92 3.458 -14.710 -0.753 1.00 0.00 N flip ATOM 0 H ASN A 92 1.745 -13.818 2.085 1.00 0.00 H new ATOM 0 HA ASN A 92 1.255 -13.288 -0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.953 -15.825 1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.844 -15.787 -0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.975 -14.065 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.474 -14.794 -0.792 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.290 -14.251 1.258 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.739 -14.293 1.358 1.00 0.00 C ATOM 1521 C ASP A 93 -3.316 -12.947 0.915 1.00 0.00 C ATOM 1522 O ASP A 93 -4.233 -12.900 0.097 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.184 -14.546 2.800 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.939 -15.967 3.312 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -3.407 -16.905 2.630 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.290 -16.084 4.374 1.00 0.00 O ATOM 0 H ASP A 93 -0.795 -14.572 2.090 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.098 -15.102 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.663 -13.846 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.248 -14.326 2.880 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.755 -11.885 1.476 1.00 0.00 N ATOM 1532 CA LEU A 94 -3.202 -10.542 1.149 1.00 0.00 C ATOM 1533 C LEU A 94 -2.726 -10.179 -0.259 1.00 0.00 C ATOM 1534 O LEU A 94 -3.531 -9.825 -1.119 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.754 -9.551 2.225 1.00 0.00 C ATOM 1536 CG LEU A 94 -3.861 -8.716 2.871 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -3.286 -7.468 3.542 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -4.951 -8.370 1.855 1.00 0.00 C ATOM 0 H LEU A 94 -1.995 -11.928 2.155 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.291 -10.495 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.240 -10.106 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.024 -8.872 1.784 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.328 -9.315 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.094 -6.892 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.576 -7.764 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.777 -6.856 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.726 -7.776 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.516 -7.799 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.389 -9.288 1.465 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.418 -10.279 -0.451 1.00 0.00 N ATOM 1551 CA ILE A 95 -0.825 -9.966 -1.739 1.00 0.00 C ATOM 1552 C ILE A 95 -1.733 -10.487 -2.855 1.00 0.00 C ATOM 1553 O ILE A 95 -1.779 -9.913 -3.942 1.00 0.00 O ATOM 1554 CB ILE A 95 0.608 -10.499 -1.813 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.566 -9.607 -1.022 1.00 0.00 C ATOM 1556 CG2 ILE A 95 1.054 -10.673 -3.266 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.827 -10.376 -0.621 1.00 0.00 C ATOM 0 H ILE A 95 -0.753 -10.572 0.265 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.747 -8.887 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 95 0.630 -11.485 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.840 -8.740 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.066 -9.231 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.075 -11.053 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.392 -11.379 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.012 -9.711 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.491 -9.719 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.551 -11.229 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.338 -10.729 -1.517 1.00 0.00 H new ATOM 1569 N THR A 96 -2.433 -11.569 -2.547 1.00 0.00 N ATOM 1570 CA THR A 96 -3.338 -12.174 -3.510 1.00 0.00 C ATOM 1571 C THR A 96 -4.694 -11.466 -3.486 1.00 0.00 C ATOM 1572 O THR A 96 -5.212 -11.074 -4.530 1.00 0.00 O ATOM 1573 CB THR A 96 -3.428 -13.669 -3.200 1.00 0.00 C ATOM 1574 OG1 THR A 96 -2.795 -14.293 -4.314 1.00 0.00 O ATOM 1575 CG2 THR A 96 -4.865 -14.192 -3.247 1.00 0.00 C ATOM 0 H THR A 96 -2.392 -12.042 -1.644 1.00 0.00 H new ATOM 0 HA THR A 96 -2.965 -12.060 -4.528 1.00 0.00 H new ATOM 0 HB THR A 96 -3.004 -13.861 -2.214 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.520 -15.201 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.872 -15.258 -3.020 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.470 -13.660 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.279 -14.031 -4.243 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.230 -11.324 -2.282 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.516 -10.670 -2.108 1.00 0.00 C ATOM 1585 C TYR A 97 -6.447 -9.202 -2.536 1.00 0.00 C ATOM 1586 O TYR A 97 -7.287 -8.736 -3.304 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.824 -10.738 -0.611 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.055 -9.932 -0.192 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.302 -10.522 -0.201 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -7.918 -8.614 0.194 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.461 -9.763 0.194 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -9.076 -7.855 0.589 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.291 -8.467 0.569 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.385 -7.750 0.942 1.00 0.00 O ATOM 0 H TYR A 97 -4.797 -11.651 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.280 -11.157 -2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -6.971 -11.780 -0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.959 -10.376 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.409 -11.553 -0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.942 -8.152 0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.443 -10.213 0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.982 -6.823 0.894 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.113 -6.841 1.185 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.438 -8.515 -2.020 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.249 -7.111 -2.339 1.00 0.00 C ATOM 1606 C LEU A 98 -5.283 -6.928 -3.858 1.00 0.00 C ATOM 1607 O LEU A 98 -5.865 -5.967 -4.358 1.00 0.00 O ATOM 1608 CB LEU A 98 -3.972 -6.580 -1.684 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.154 -5.416 -0.708 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -3.374 -5.660 0.586 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -3.775 -4.086 -1.363 1.00 0.00 C ATOM 0 H LEU A 98 -4.743 -8.905 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.063 -6.514 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.491 -7.401 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.287 -6.265 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.209 -5.354 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.520 -4.818 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.733 -6.574 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.313 -5.762 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.914 -3.275 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.731 -4.119 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.410 -3.915 -2.233 1.00 0.00 H new ATOM 1623 N LYS A 99 -4.651 -7.866 -4.549 1.00 0.00 N ATOM 1624 CA LYS A 99 -4.602 -7.820 -6.000 1.00 0.00 C ATOM 1625 C LYS A 99 -6.027 -7.812 -6.555 1.00 0.00 C ATOM 1626 O LYS A 99 -6.302 -7.160 -7.561 1.00 0.00 O ATOM 1627 CB LYS A 99 -3.737 -8.960 -6.543 1.00 0.00 C ATOM 1628 CG LYS A 99 -3.723 -8.957 -8.073 1.00 0.00 C ATOM 1629 CD LYS A 99 -4.291 -10.264 -8.629 1.00 0.00 C ATOM 1630 CE LYS A 99 -5.747 -10.088 -9.065 1.00 0.00 C ATOM 1631 NZ LYS A 99 -5.832 -9.187 -10.235 1.00 0.00 N ATOM 0 H LYS A 99 -4.169 -8.662 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.124 -6.900 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.719 -8.860 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.118 -9.915 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.308 -8.115 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.703 -8.818 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.691 -10.594 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.227 -11.044 -7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.178 -11.058 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.333 -9.680 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.681 -9.417 -10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.887 -8.201 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.987 -9.309 -10.829 1.00 0.00 H new ATOM 1645 N LYS A 100 -6.897 -8.545 -5.875 1.00 0.00 N ATOM 1646 CA LYS A 100 -8.288 -8.630 -6.287 1.00 0.00 C ATOM 1647 C LYS A 100 -9.047 -7.411 -5.761 1.00 0.00 C ATOM 1648 O LYS A 100 -9.834 -6.805 -6.487 1.00 0.00 O ATOM 1649 CB LYS A 100 -8.894 -9.966 -5.853 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.272 -10.174 -6.485 1.00 0.00 C ATOM 1651 CD LYS A 100 -10.808 -11.575 -6.183 1.00 0.00 C ATOM 1652 CE LYS A 100 -10.397 -12.566 -7.274 1.00 0.00 C ATOM 1653 NZ LYS A 100 -11.180 -12.332 -8.508 1.00 0.00 N ATOM 0 H LYS A 100 -6.665 -9.085 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.365 -8.609 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.231 -10.781 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.980 -9.995 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.967 -9.425 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.207 -10.030 -7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.429 -11.913 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.895 -11.544 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.333 -12.462 -7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.554 -13.586 -6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.137 -13.178 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.170 -12.134 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.784 -11.519 -9.022 1.00 0.00 H new ATOM 1667 N ALA A 101 -8.784 -7.087 -4.504 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.433 -5.950 -3.872 1.00 0.00 C ATOM 1669 C ALA A 101 -9.518 -4.796 -4.873 1.00 0.00 C ATOM 1670 O ALA A 101 -10.536 -4.110 -4.949 1.00 0.00 O ATOM 1671 CB ALA A 101 -8.669 -5.566 -2.604 1.00 0.00 C ATOM 0 H ALA A 101 -8.130 -7.592 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.450 -6.205 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.156 -4.713 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.662 -6.410 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.644 -5.301 -2.863 1.00 0.00 H new ATOM 1677 N SER A 102 -8.436 -4.618 -5.616 1.00 0.00 N ATOM 1678 CA SER A 102 -8.375 -3.559 -6.609 1.00 0.00 C ATOM 1679 C SER A 102 -8.833 -4.090 -7.969 1.00 0.00 C ATOM 1680 O SER A 102 -9.342 -3.335 -8.795 1.00 0.00 O ATOM 1681 CB SER A 102 -6.963 -2.982 -6.713 1.00 0.00 C ATOM 1682 OG SER A 102 -6.831 -1.760 -5.992 1.00 0.00 O ATOM 0 H SER A 102 -7.594 -5.190 -5.550 1.00 0.00 H new ATOM 0 HA SER A 102 -9.043 -2.757 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.246 -3.708 -6.330 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.717 -2.813 -7.761 1.00 0.00 H new ATOM 0 HG SER A 102 -6.653 -1.955 -5.048 1.00 0.00 H new ATOM 1688 N GLU A 103 -8.636 -5.387 -8.159 1.00 0.00 N ATOM 1689 CA GLU A 103 -9.022 -6.028 -9.405 1.00 0.00 C ATOM 1690 C GLU A 103 -8.653 -5.140 -10.595 1.00 0.00 C ATOM 1691 O GLU A 103 -9.138 -5.352 -11.706 1.00 0.00 O ATOM 1692 CB GLU A 103 -10.515 -6.360 -9.410 1.00 0.00 C ATOM 1693 CG GLU A 103 -11.361 -5.085 -9.448 1.00 0.00 C ATOM 1694 CD GLU A 103 -12.793 -5.390 -9.890 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -13.426 -6.236 -9.222 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -13.223 -4.771 -10.887 1.00 0.00 O ATOM 0 H GLU A 103 -8.214 -6.011 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.474 -6.966 -9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.750 -6.982 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.765 -6.940 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.372 -4.622 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.911 -4.366 -10.132 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 0.072 2.083 3.218 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.095 4.385 0.940 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.638 -0.051 0.610 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.431 -0.398 5.416 1.00 0.00 C HETATM 1708 CHD HEC A 104 0.182 4.304 5.615 1.00 0.00 C HETATM 1709 NA HEC A 104 0.208 2.185 1.224 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.630 3.182 0.430 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.846 2.739 -0.968 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.329 1.511 -1.026 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.046 1.095 0.253 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.280 0.597 -2.310 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.322 3.683 -2.034 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.388 4.937 -2.062 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.026 6.306 -1.882 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.537 6.965 -0.957 1.00 0.00 O HETATM 1719 O2A HEC A 104 1.966 6.671 -2.620 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.450 0.119 3.052 1.00 0.00 N HETATM 1721 C1B HEC A 104 -0.909 -0.501 1.895 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.276 -1.856 2.298 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.166 -2.009 3.641 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.696 -0.720 4.072 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.871 -2.881 1.265 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.500 -3.160 4.553 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.775 -4.471 4.205 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.089 2.010 5.166 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.286 0.940 5.984 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.453 1.193 7.361 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.233 2.522 7.426 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.094 3.047 6.069 1.00 0.00 C HETATM 1733 CMC HEC A 104 -0.697 0.230 8.483 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.439 3.537 8.593 1.00 0.00 C HETATM 1735 CBC HEC A 104 0.392 3.156 9.840 1.00 0.00 C HETATM 1736 ND HEC A 104 0.540 3.994 3.278 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.530 4.796 4.413 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.930 6.085 4.082 1.00 0.00 C HETATM 1739 C3D HEC A 104 1.221 6.107 2.771 1.00 0.00 C HETATM 1740 C4D HEC A 104 1.046 4.747 2.267 1.00 0.00 C HETATM 1741 CMD HEC A 104 1.110 7.303 5.098 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.839 7.307 2.010 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.873 8.457 1.847 1.00 0.00 C HETATM 1744 CGD HEC A 104 1.336 9.845 2.249 1.00 0.00 C HETATM 1745 O1D HEC A 104 1.489 10.063 3.481 1.00 0.00 O HETATM 1746 O2D HEC A 104 1.355 10.677 1.314 1.00 0.00 O HETATM 0 HMD3 HEC A 104 0.160 7.508 5.592 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.860 7.045 5.846 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.433 8.189 4.551 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.624 -0.314 8.301 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 0.132 -0.476 8.543 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -0.776 0.778 9.422 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.797 -2.483 0.850 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.154 -3.044 0.460 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -2.075 -3.827 1.767 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.290 1.098 -3.092 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.294 0.411 -2.663 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.198 -0.351 -2.064 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 0.575 8.496 0.799 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -0.022 8.224 2.424 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 0.092 2.168 10.189 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 1.451 3.143 9.582 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.220 3.888 10.629 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -1.042 -4.777 3.193 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.303 -4.318 4.265 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.071 -5.248 4.909 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.141 4.938 -3.015 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.362 4.813 -1.281 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.723 7.654 2.545 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 2.171 6.975 1.026 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.351 3.985 -1.837 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.316 3.188 -3.005 1.00 0.00 H new HETATM 0 HHD HEC A 104 0.104 5.069 6.388 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.323 -1.235 6.106 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.943 -0.708 -0.204 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.531 5.096 0.238 1.00 0.00 H new HETATM 0 H2D HEC A 104 1.511 11.574 1.677 1.00 0.00 H new HETATM 0 H2A HEC A 104 1.874 7.626 -2.818 1.00 0.00 H new