USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 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 49 THR OG1 : rot 150:sc= 0.597 USER MOD Set 1.2: A 104 HEC O2D : rot 164:sc= -1.31! USER MOD Set 2.1: A 67 TYR OH : rot -140:sc= 1.4 USER MOD Set 2.2: A 78 THR OG1 : rot 27:sc= 0.523 USER MOD Set 3.1: A 63 ASN :FLIP amide:sc= -0.159 F(o=-3.2!,f=-0.63) USER MOD Set 3.2: A 74 TYR OH : rot 15:sc= -0.474 USER MOD Set 4.1: A 39 HIS : no HD1:sc= -15.1! C(o=-19!,f=-19!) USER MOD Set 4.2: A 56 ASN : amide:sc= -3.53! C(o=-19!,f=-24!) USER MOD Set 5.1: A 19 THR OG1 : rot 150:sc= -0.262 USER MOD Set 5.2: A 31 ASN : amide:sc= -7.62! C(o=-7.9!,f=-16!) USER MOD Single : A 2 SER OG : rot 114:sc= -1.2 USER MOD Single : A 4 LYS NZ :NH3+ -105:sc= -0.0233 (180deg=-1.14) USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= 0.491 (180deg=-0.412) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 134:sc= 0.0426 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 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 : amide:sc= -0.824 X(o=-0.82,f=-0.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.26 X(o=-2.3,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-4!) USER MOD Single : A 40 SER OG : rot 21:sc= 0.709 USER MOD Single : A 42 GLN : amide:sc= -5.55! C(o=-5.6!,f=-7.7!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 165:sc= -0.531 USER MOD Single : A 52 ASN : amide:sc= -2.22 K(o=-2.2,f=-8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.62! C(o=-1.6!,f=-3.2!) USER MOD Single : A 64 MET CE :methyl -103:sc= -4.82! (180deg=-7.67!) USER MOD Single : A 65 SER OG : rot -160:sc= -4.54! USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.405 USER MOD Single : A 70 ASN : amide:sc= -3.73 K(o=-3.7,f=-5.7!) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= -0.0361 (180deg=-0.281) USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= -0.0562 (180deg=-0.403) USER MOD Single : A 80 MET CE :methyl 169:sc= -0.447 (180deg=-0.916) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -3.42! C(o=-3.4!,f=-9.4!) USER MOD Single : A 96 THR OG1 : rot -120:sc= -0.298 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 87:sc= -1.74 USER MOD Single : A 104 HEC O2A : rot 178:sc= -3.69! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 12.481 -12.193 -4.262 1.00 0.00 N ATOM 2 CA THR A -5 11.074 -12.263 -3.906 1.00 0.00 C ATOM 3 C THR A -5 10.368 -13.341 -4.730 1.00 0.00 C ATOM 4 O THR A -5 10.721 -13.576 -5.885 1.00 0.00 O ATOM 5 CB THR A -5 10.471 -10.868 -4.087 1.00 0.00 C ATOM 6 OG1 THR A -5 11.076 -10.092 -3.056 1.00 0.00 O ATOM 7 CG2 THR A -5 8.978 -10.828 -3.756 1.00 0.00 C ATOM 0 H1 THR A -5 12.758 -11.199 -4.390 1.00 0.00 H new ATOM 0 H2 THR A -5 13.053 -12.616 -3.503 1.00 0.00 H new ATOM 0 H3 THR A -5 12.641 -12.714 -5.148 1.00 0.00 H new ATOM 0 HA THR A -5 10.944 -12.557 -2.865 1.00 0.00 H new ATOM 0 HB THR A -5 10.624 -10.537 -5.114 1.00 0.00 H new ATOM 0 HG1 THR A -5 10.742 -9.172 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A -5 8.600 -9.816 -3.901 1.00 0.00 H new ATOM 0 HG22 THR A -5 8.441 -11.513 -4.412 1.00 0.00 H new ATOM 0 HG23 THR A -5 8.827 -11.126 -2.719 1.00 0.00 H new ATOM 15 N GLU A -4 9.384 -13.969 -4.103 1.00 0.00 N ATOM 16 CA GLU A -4 8.626 -15.018 -4.764 1.00 0.00 C ATOM 17 C GLU A -4 7.273 -15.209 -4.075 1.00 0.00 C ATOM 18 O GLU A -4 7.070 -16.188 -3.359 1.00 0.00 O ATOM 19 CB GLU A -4 9.414 -16.328 -4.796 1.00 0.00 C ATOM 20 CG GLU A -4 10.014 -16.574 -6.182 1.00 0.00 C ATOM 21 CD GLU A -4 8.963 -17.135 -7.142 1.00 0.00 C ATOM 22 OE1 GLU A -4 8.218 -16.310 -7.713 1.00 0.00 O ATOM 23 OE2 GLU A -4 8.928 -18.377 -7.284 1.00 0.00 O ATOM 0 H GLU A -4 9.094 -13.772 -3.145 1.00 0.00 H new ATOM 0 HA GLU A -4 8.448 -14.715 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A -4 10.210 -16.296 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A -4 8.759 -17.157 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A -4 10.414 -15.641 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A -4 10.848 -17.271 -6.103 1.00 0.00 H new ATOM 30 N PHE A -3 6.382 -14.258 -4.317 1.00 0.00 N ATOM 31 CA PHE A -3 5.055 -14.309 -3.728 1.00 0.00 C ATOM 32 C PHE A -3 4.496 -15.733 -3.759 1.00 0.00 C ATOM 33 O PHE A -3 4.722 -16.472 -4.716 1.00 0.00 O ATOM 34 CB PHE A -3 4.156 -13.403 -4.572 1.00 0.00 C ATOM 35 CG PHE A -3 2.678 -13.795 -4.547 1.00 0.00 C ATOM 36 CD1 PHE A -3 1.894 -13.426 -3.499 1.00 0.00 C ATOM 37 CD2 PHE A -3 2.147 -14.513 -5.573 1.00 0.00 C ATOM 38 CE1 PHE A -3 0.522 -13.790 -3.476 1.00 0.00 C ATOM 39 CE2 PHE A -3 0.775 -14.877 -5.550 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.009 -14.508 -4.502 1.00 0.00 C ATOM 0 H PHE A -3 6.553 -13.448 -4.913 1.00 0.00 H new ATOM 0 HA PHE A -3 5.097 -13.986 -2.688 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.255 -12.377 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.508 -13.418 -5.604 1.00 0.00 H new ATOM 0 HD1 PHE A -3 2.315 -12.856 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A -3 2.769 -14.806 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -0.100 -13.497 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A -3 0.354 -15.447 -6.365 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.053 -14.785 -4.484 1.00 0.00 H new ATOM 50 N LYS A -2 3.777 -16.075 -2.700 1.00 0.00 N ATOM 51 CA LYS A -2 3.184 -17.397 -2.593 1.00 0.00 C ATOM 52 C LYS A -2 1.661 -17.277 -2.674 1.00 0.00 C ATOM 53 O LYS A -2 1.117 -16.176 -2.600 1.00 0.00 O ATOM 54 CB LYS A -2 3.679 -18.106 -1.331 1.00 0.00 C ATOM 55 CG LYS A -2 3.985 -19.579 -1.613 1.00 0.00 C ATOM 56 CD LYS A -2 5.469 -19.881 -1.399 1.00 0.00 C ATOM 57 CE LYS A -2 6.296 -19.464 -2.617 1.00 0.00 C ATOM 58 NZ LYS A -2 6.361 -20.566 -3.601 1.00 0.00 N ATOM 0 H LYS A -2 3.592 -15.459 -1.908 1.00 0.00 H new ATOM 0 HA LYS A -2 3.499 -18.024 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A -2 4.575 -17.610 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A -2 2.924 -18.031 -0.548 1.00 0.00 H new ATOM 0 HG2 LYS A -2 3.384 -20.211 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A -2 3.705 -19.823 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A -2 5.827 -19.354 -0.515 1.00 0.00 H new ATOM 0 HD3 LYS A -2 5.603 -20.946 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A -2 5.854 -18.581 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A -2 7.303 -19.189 -2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 6.926 -20.266 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 6.803 -21.398 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 5.399 -20.810 -3.913 1.00 0.00 H new ATOM 72 N ALA A -1 1.016 -18.424 -2.824 1.00 0.00 N ATOM 73 CA ALA A -1 -0.434 -18.461 -2.915 1.00 0.00 C ATOM 74 C ALA A -1 -1.036 -18.046 -1.571 1.00 0.00 C ATOM 75 O ALA A -1 -0.359 -18.086 -0.545 1.00 0.00 O ATOM 76 CB ALA A -1 -0.883 -19.858 -3.349 1.00 0.00 C ATOM 0 H ALA A -1 1.471 -19.335 -2.885 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.789 -17.756 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -1.971 -19.886 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -0.452 -20.093 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.547 -20.592 -2.617 1.00 0.00 H new ATOM 82 N GLY A 1 -2.301 -17.655 -1.621 1.00 0.00 N ATOM 83 CA GLY A 1 -3.002 -17.233 -0.420 1.00 0.00 C ATOM 84 C GLY A 1 -4.269 -18.063 -0.205 1.00 0.00 C ATOM 85 O GLY A 1 -5.293 -17.816 -0.841 1.00 0.00 O ATOM 0 H GLY A 1 -2.859 -17.622 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.345 -17.335 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.263 -16.178 -0.499 1.00 0.00 H new ATOM 89 N SER A 2 -4.160 -19.029 0.695 1.00 0.00 N ATOM 90 CA SER A 2 -5.284 -19.896 1.003 1.00 0.00 C ATOM 91 C SER A 2 -6.581 -19.084 1.025 1.00 0.00 C ATOM 92 O SER A 2 -7.637 -19.583 0.641 1.00 0.00 O ATOM 93 CB SER A 2 -5.081 -20.608 2.342 1.00 0.00 C ATOM 94 OG SER A 2 -6.319 -20.960 2.953 1.00 0.00 O ATOM 0 H SER A 2 -3.310 -19.230 1.221 1.00 0.00 H new ATOM 0 HA SER A 2 -5.352 -20.656 0.225 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.484 -21.507 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.516 -19.962 3.014 1.00 0.00 H new ATOM 0 HG SER A 2 -6.403 -21.936 2.983 1.00 0.00 H new ATOM 100 N ALA A 3 -6.458 -17.845 1.480 1.00 0.00 N ATOM 101 CA ALA A 3 -7.607 -16.959 1.557 1.00 0.00 C ATOM 102 C ALA A 3 -8.501 -17.391 2.721 1.00 0.00 C ATOM 103 O ALA A 3 -9.718 -17.482 2.573 1.00 0.00 O ATOM 104 CB ALA A 3 -8.348 -16.965 0.219 1.00 0.00 C ATOM 0 H ALA A 3 -5.580 -17.434 1.799 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.289 -15.934 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.210 -16.300 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.678 -16.622 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.685 -17.977 -0.006 1.00 0.00 H new ATOM 110 N LYS A 4 -7.862 -17.646 3.854 1.00 0.00 N ATOM 111 CA LYS A 4 -8.584 -18.066 5.042 1.00 0.00 C ATOM 112 C LYS A 4 -8.331 -17.063 6.169 1.00 0.00 C ATOM 113 O LYS A 4 -8.622 -17.343 7.331 1.00 0.00 O ATOM 114 CB LYS A 4 -8.221 -19.507 5.409 1.00 0.00 C ATOM 115 CG LYS A 4 -6.770 -19.602 5.884 1.00 0.00 C ATOM 116 CD LYS A 4 -6.306 -21.059 5.940 1.00 0.00 C ATOM 117 CE LYS A 4 -6.865 -21.766 7.176 1.00 0.00 C ATOM 118 NZ LYS A 4 -8.184 -22.368 6.876 1.00 0.00 N ATOM 0 H LYS A 4 -6.852 -17.570 3.974 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.657 -18.070 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.888 -19.866 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.368 -20.154 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.125 -19.037 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.676 -19.148 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.630 -21.582 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.217 -21.097 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.171 -22.540 7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.961 -21.055 7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.935 -21.793 7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.324 -22.401 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.221 -23.333 7.261 1.00 0.00 H new ATOM 132 N LYS A 5 -7.792 -15.915 5.786 1.00 0.00 N ATOM 133 CA LYS A 5 -7.497 -14.868 6.750 1.00 0.00 C ATOM 134 C LYS A 5 -6.950 -13.643 6.014 1.00 0.00 C ATOM 135 O LYS A 5 -5.982 -13.029 6.459 1.00 0.00 O ATOM 136 CB LYS A 5 -6.566 -15.395 7.844 1.00 0.00 C ATOM 137 CG LYS A 5 -5.347 -16.093 7.238 1.00 0.00 C ATOM 138 CD LYS A 5 -4.575 -16.872 8.304 1.00 0.00 C ATOM 139 CE LYS A 5 -3.988 -18.161 7.724 1.00 0.00 C ATOM 140 NZ LYS A 5 -2.828 -17.857 6.857 1.00 0.00 N ATOM 0 H LYS A 5 -7.552 -15.687 4.821 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.406 -14.553 7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.240 -14.570 8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.108 -16.092 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.668 -16.772 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.692 -15.354 6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.773 -16.251 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.238 -17.112 9.135 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.681 -18.824 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.750 -18.689 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.674 -18.644 6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.014 -16.985 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.980 -17.728 7.445 1.00 0.00 H new ATOM 154 N GLY A 6 -7.595 -13.324 4.901 1.00 0.00 N ATOM 155 CA GLY A 6 -7.185 -12.184 4.100 1.00 0.00 C ATOM 156 C GLY A 6 -8.049 -10.959 4.407 1.00 0.00 C ATOM 157 O GLY A 6 -7.527 -9.882 4.690 1.00 0.00 O ATOM 0 H GLY A 6 -8.398 -13.835 4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -6.138 -11.954 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -7.262 -12.432 3.041 1.00 0.00 H new ATOM 161 N ALA A 7 -9.356 -11.165 4.342 1.00 0.00 N ATOM 162 CA ALA A 7 -10.298 -10.091 4.610 1.00 0.00 C ATOM 163 C ALA A 7 -10.024 -9.514 6.000 1.00 0.00 C ATOM 164 O ALA A 7 -9.669 -8.344 6.131 1.00 0.00 O ATOM 165 CB ALA A 7 -11.727 -10.618 4.468 1.00 0.00 C ATOM 0 H ALA A 7 -9.785 -12.060 4.108 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.176 -9.284 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.433 -9.813 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.879 -10.989 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.888 -11.428 5.179 1.00 0.00 H new ATOM 171 N THR A 8 -10.201 -10.362 7.003 1.00 0.00 N ATOM 172 CA THR A 8 -9.978 -9.951 8.379 1.00 0.00 C ATOM 173 C THR A 8 -8.621 -9.257 8.514 1.00 0.00 C ATOM 174 O THR A 8 -8.405 -8.486 9.448 1.00 0.00 O ATOM 175 CB THR A 8 -10.121 -11.186 9.270 1.00 0.00 C ATOM 176 OG1 THR A 8 -11.271 -10.909 10.065 1.00 0.00 O ATOM 177 CG2 THR A 8 -8.985 -11.308 10.288 1.00 0.00 C ATOM 0 H THR A 8 -10.496 -11.332 6.890 1.00 0.00 H new ATOM 0 HA THR A 8 -10.717 -9.216 8.698 1.00 0.00 H new ATOM 0 HB THR A 8 -10.149 -12.081 8.648 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.438 -11.660 10.672 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.135 -12.201 10.895 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.032 -11.381 9.763 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.978 -10.429 10.932 1.00 0.00 H new ATOM 185 N LEU A 9 -7.742 -9.557 7.569 1.00 0.00 N ATOM 186 CA LEU A 9 -6.412 -8.972 7.572 1.00 0.00 C ATOM 187 C LEU A 9 -6.520 -7.470 7.302 1.00 0.00 C ATOM 188 O LEU A 9 -6.408 -6.661 8.222 1.00 0.00 O ATOM 189 CB LEU A 9 -5.500 -9.709 6.589 1.00 0.00 C ATOM 190 CG LEU A 9 -4.069 -9.967 7.064 1.00 0.00 C ATOM 191 CD1 LEU A 9 -3.699 -11.444 6.916 1.00 0.00 C ATOM 192 CD2 LEU A 9 -3.078 -9.052 6.342 1.00 0.00 C ATOM 0 H LEU A 9 -7.925 -10.197 6.796 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.947 -9.088 8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.959 -10.667 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.456 -9.134 5.664 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.014 -9.727 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.677 -11.599 7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.380 -12.051 7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.777 -11.735 5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.068 -9.256 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.128 -9.236 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.330 -8.011 6.544 1.00 0.00 H new ATOM 204 N PHE A 10 -6.736 -7.142 6.037 1.00 0.00 N ATOM 205 CA PHE A 10 -6.860 -5.751 5.635 1.00 0.00 C ATOM 206 C PHE A 10 -7.686 -4.959 6.650 1.00 0.00 C ATOM 207 O PHE A 10 -7.393 -3.795 6.921 1.00 0.00 O ATOM 208 CB PHE A 10 -7.582 -5.738 4.286 1.00 0.00 C ATOM 209 CG PHE A 10 -7.416 -4.434 3.504 1.00 0.00 C ATOM 210 CD1 PHE A 10 -6.171 -3.966 3.218 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.513 -3.742 3.095 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.018 -2.755 2.492 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.359 -2.531 2.369 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.115 -2.063 2.083 1.00 0.00 C ATOM 0 H PHE A 10 -6.828 -7.816 5.277 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.873 -5.292 5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.211 -6.564 3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.644 -5.917 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.300 -4.515 3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.501 -4.113 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.030 -2.383 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.230 -1.982 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.998 -1.142 1.531 1.00 0.00 H new ATOM 224 N LYS A 11 -8.702 -5.621 7.184 1.00 0.00 N ATOM 225 CA LYS A 11 -9.573 -4.993 8.163 1.00 0.00 C ATOM 226 C LYS A 11 -8.722 -4.385 9.280 1.00 0.00 C ATOM 227 O LYS A 11 -9.027 -3.302 9.778 1.00 0.00 O ATOM 228 CB LYS A 11 -10.623 -5.987 8.661 1.00 0.00 C ATOM 229 CG LYS A 11 -11.968 -5.294 8.894 1.00 0.00 C ATOM 230 CD LYS A 11 -12.865 -6.132 9.807 1.00 0.00 C ATOM 231 CE LYS A 11 -14.133 -5.363 10.184 1.00 0.00 C ATOM 232 NZ LYS A 11 -14.447 -5.553 11.618 1.00 0.00 N ATOM 0 H LYS A 11 -8.942 -6.586 6.957 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.132 -4.176 7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.744 -6.789 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.282 -6.448 9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.803 -4.313 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.467 -5.130 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.134 -7.061 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.318 -6.404 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.999 -4.302 9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.969 -5.706 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.310 -5.025 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.596 -6.564 11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.656 -5.204 12.196 1.00 0.00 H new ATOM 246 N THR A 12 -7.673 -5.108 9.641 1.00 0.00 N ATOM 247 CA THR A 12 -6.776 -4.654 10.690 1.00 0.00 C ATOM 248 C THR A 12 -5.329 -4.655 10.192 1.00 0.00 C ATOM 249 O THR A 12 -4.850 -5.659 9.667 1.00 0.00 O ATOM 250 CB THR A 12 -6.997 -5.540 11.918 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.665 -4.688 12.844 1.00 0.00 O ATOM 252 CG2 THR A 12 -5.687 -5.902 12.622 1.00 0.00 C ATOM 0 H THR A 12 -7.424 -6.006 9.226 1.00 0.00 H new ATOM 0 HA THR A 12 -6.988 -3.623 10.973 1.00 0.00 H new ATOM 0 HB THR A 12 -7.513 -6.453 11.620 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.849 -5.183 13.670 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.900 -6.531 13.486 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.040 -6.442 11.931 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.187 -4.991 12.951 1.00 0.00 H new ATOM 260 N ARG A 13 -4.673 -3.518 10.375 1.00 0.00 N ATOM 261 CA ARG A 13 -3.291 -3.375 9.951 1.00 0.00 C ATOM 262 C ARG A 13 -3.227 -2.833 8.522 1.00 0.00 C ATOM 263 O ARG A 13 -2.191 -2.924 7.865 1.00 0.00 O ATOM 264 CB ARG A 13 -2.554 -4.715 10.015 1.00 0.00 C ATOM 265 CG ARG A 13 -2.783 -5.404 11.361 1.00 0.00 C ATOM 266 CD ARG A 13 -1.555 -5.268 12.263 1.00 0.00 C ATOM 267 NE ARG A 13 -1.278 -6.555 12.938 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.138 -6.835 13.585 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.839 -5.919 13.647 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.026 -8.030 14.168 1.00 0.00 N ATOM 0 H ARG A 13 -5.073 -2.687 10.811 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.807 -2.674 10.631 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.898 -5.362 9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.487 -4.555 9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.651 -4.967 11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.005 -6.459 11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.691 -4.965 11.672 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.723 -4.488 13.005 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.000 -7.275 12.909 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.715 -5.010 13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.707 -6.131 14.139 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.717 -8.727 14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.894 -8.243 14.660 1.00 0.00 H new ATOM 284 N CYS A 14 -4.348 -2.281 8.082 1.00 0.00 N ATOM 285 CA CYS A 14 -4.433 -1.724 6.743 1.00 0.00 C ATOM 286 C CYS A 14 -5.573 -0.704 6.718 1.00 0.00 C ATOM 287 O CYS A 14 -5.331 0.502 6.696 1.00 0.00 O ATOM 288 CB CYS A 14 -4.620 -2.815 5.687 1.00 0.00 C ATOM 289 SG CYS A 14 -3.182 -3.924 5.466 1.00 0.00 S ATOM 0 H CYS A 14 -5.205 -2.208 8.630 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.496 -1.226 6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.487 -3.417 5.957 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.846 -2.341 4.732 1.00 0.00 H new ATOM 294 N LEU A 15 -6.791 -1.225 6.722 1.00 0.00 N ATOM 295 CA LEU A 15 -7.969 -0.375 6.700 1.00 0.00 C ATOM 296 C LEU A 15 -7.780 0.776 7.690 1.00 0.00 C ATOM 297 O LEU A 15 -8.120 1.920 7.390 1.00 0.00 O ATOM 298 CB LEU A 15 -9.231 -1.202 6.952 1.00 0.00 C ATOM 299 CG LEU A 15 -10.309 -1.128 5.868 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.716 -1.408 4.485 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.476 -2.063 6.191 1.00 0.00 C ATOM 0 H LEU A 15 -6.988 -2.226 6.740 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.099 0.070 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.939 -2.245 7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.670 -0.880 7.896 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.705 -0.113 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.503 -1.349 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.946 -0.669 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.276 -2.405 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.228 -1.991 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.114 -3.089 6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.919 -1.776 7.145 1.00 0.00 H new ATOM 313 N GLN A 16 -7.240 0.434 8.850 1.00 0.00 N ATOM 314 CA GLN A 16 -7.002 1.425 9.886 1.00 0.00 C ATOM 315 C GLN A 16 -6.516 2.736 9.265 1.00 0.00 C ATOM 316 O GLN A 16 -6.766 3.813 9.805 1.00 0.00 O ATOM 317 CB GLN A 16 -6.003 0.906 10.922 1.00 0.00 C ATOM 318 CG GLN A 16 -4.607 0.758 10.312 1.00 0.00 C ATOM 319 CD GLN A 16 -3.541 0.641 11.403 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.881 1.600 11.767 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.411 -0.585 11.903 1.00 0.00 N ATOM 0 H GLN A 16 -6.960 -0.516 9.096 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.943 1.617 10.401 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.963 1.591 11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.340 -0.057 11.307 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.577 -0.125 9.673 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.390 1.618 9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.996 -1.343 11.553 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.726 -0.767 12.637 1.00 0.00 H new ATOM 330 N CYS A 17 -5.832 2.603 8.138 1.00 0.00 N ATOM 331 CA CYS A 17 -5.309 3.764 7.438 1.00 0.00 C ATOM 332 C CYS A 17 -6.089 3.928 6.132 1.00 0.00 C ATOM 333 O CYS A 17 -6.725 4.923 5.770 1.00 0.00 O ATOM 334 CB CYS A 17 -3.804 3.646 7.192 1.00 0.00 C ATOM 335 SG CYS A 17 -2.778 3.622 8.708 1.00 0.00 S ATOM 0 H CYS A 17 -5.628 1.709 7.692 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.441 4.653 8.054 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.613 2.734 6.626 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.486 4.481 6.568 1.00 0.00 H new ATOM 340 N HIS A 18 -6.060 2.832 5.293 1.00 0.00 N ATOM 341 CA HIS A 18 -6.424 2.893 3.863 1.00 0.00 C ATOM 342 C HIS A 18 -7.793 2.323 3.521 1.00 0.00 C ATOM 343 O HIS A 18 -8.546 1.787 4.333 1.00 0.00 O ATOM 344 CB HIS A 18 -5.462 2.034 3.030 1.00 0.00 C ATOM 345 CG HIS A 18 -3.988 2.335 2.970 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.468 3.302 2.187 1.00 0.00 N ATOM 347 CD2 HIS A 18 -2.923 1.706 3.585 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.226 3.321 2.333 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.795 2.324 3.164 1.00 0.00 N ATOM 0 H HIS A 18 -5.784 1.901 5.604 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.395 3.960 3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.562 1.009 3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.830 2.050 2.004 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.002 3.919 1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.980 0.876 4.273 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.572 4.039 1.860 1.00 0.00 H new ATOM 357 N THR A 19 -8.072 2.491 2.236 1.00 0.00 N ATOM 358 CA THR A 19 -9.334 2.037 1.679 1.00 0.00 C ATOM 359 C THR A 19 -9.132 1.515 0.255 1.00 0.00 C ATOM 360 O THR A 19 -8.636 2.236 -0.610 1.00 0.00 O ATOM 361 CB THR A 19 -10.333 3.193 1.766 1.00 0.00 C ATOM 362 OG1 THR A 19 -11.222 2.967 0.675 1.00 0.00 O ATOM 363 CG2 THR A 19 -9.692 4.546 1.449 1.00 0.00 C ATOM 0 H THR A 19 -7.445 2.935 1.565 1.00 0.00 H new ATOM 0 HA THR A 19 -9.736 1.197 2.245 1.00 0.00 H new ATOM 0 HB THR A 19 -10.768 3.222 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.111 3.314 0.900 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.444 5.332 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.888 4.743 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.287 4.528 0.437 1.00 0.00 H new ATOM 371 N VAL A 20 -9.524 0.266 0.056 1.00 0.00 N ATOM 372 CA VAL A 20 -9.392 -0.361 -1.249 1.00 0.00 C ATOM 373 C VAL A 20 -10.523 0.122 -2.159 1.00 0.00 C ATOM 374 O VAL A 20 -10.312 0.349 -3.349 1.00 0.00 O ATOM 375 CB VAL A 20 -9.356 -1.883 -1.096 1.00 0.00 C ATOM 376 CG1 VAL A 20 -10.638 -2.399 -0.440 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.119 -2.564 -2.446 1.00 0.00 C ATOM 0 H VAL A 20 -9.933 -0.329 0.776 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.452 -0.072 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.521 -2.134 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.586 -3.483 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.747 -1.951 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.496 -2.130 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.098 -3.645 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.924 -2.301 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.167 -2.232 -2.859 1.00 0.00 H new ATOM 387 N GLU A 21 -11.698 0.265 -1.565 1.00 0.00 N ATOM 388 CA GLU A 21 -12.862 0.717 -2.307 1.00 0.00 C ATOM 389 C GLU A 21 -12.484 1.872 -3.236 1.00 0.00 C ATOM 390 O GLU A 21 -11.414 2.463 -3.094 1.00 0.00 O ATOM 391 CB GLU A 21 -13.993 1.123 -1.360 1.00 0.00 C ATOM 392 CG GLU A 21 -14.176 0.087 -0.249 1.00 0.00 C ATOM 393 CD GLU A 21 -15.609 0.108 0.289 1.00 0.00 C ATOM 394 OE1 GLU A 21 -16.519 0.361 -0.530 1.00 0.00 O ATOM 395 OE2 GLU A 21 -15.761 -0.130 1.507 1.00 0.00 O ATOM 0 H GLU A 21 -11.869 0.076 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.223 -0.111 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.773 2.097 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.922 1.228 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.942 -0.907 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.476 0.290 0.562 1.00 0.00 H new ATOM 402 N LYS A 22 -13.382 2.160 -4.167 1.00 0.00 N ATOM 403 CA LYS A 22 -13.155 3.234 -5.119 1.00 0.00 C ATOM 404 C LYS A 22 -13.295 4.580 -4.406 1.00 0.00 C ATOM 405 O LYS A 22 -12.298 5.234 -4.105 1.00 0.00 O ATOM 406 CB LYS A 22 -14.078 3.080 -6.330 1.00 0.00 C ATOM 407 CG LYS A 22 -13.475 3.749 -7.567 1.00 0.00 C ATOM 408 CD LYS A 22 -14.375 3.554 -8.789 1.00 0.00 C ATOM 409 CE LYS A 22 -13.776 4.228 -10.024 1.00 0.00 C ATOM 410 NZ LYS A 22 -14.821 4.460 -11.047 1.00 0.00 N ATOM 0 H LYS A 22 -14.268 1.668 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.140 3.186 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.248 2.022 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.050 3.522 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.337 4.814 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.489 3.331 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.509 2.489 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.363 3.968 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.318 5.176 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.985 3.603 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.397 4.918 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.239 3.550 -11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.562 5.075 -10.653 1.00 0.00 H new ATOM 424 N GLY A 23 -14.542 4.953 -4.155 1.00 0.00 N ATOM 425 CA GLY A 23 -14.825 6.210 -3.482 1.00 0.00 C ATOM 426 C GLY A 23 -14.381 6.161 -2.019 1.00 0.00 C ATOM 427 O GLY A 23 -15.192 6.348 -1.114 1.00 0.00 O ATOM 0 H GLY A 23 -15.367 4.408 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.312 7.024 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.893 6.422 -3.535 1.00 0.00 H new ATOM 431 N GLY A 24 -13.094 5.908 -1.833 1.00 0.00 N ATOM 432 CA GLY A 24 -12.532 5.832 -0.495 1.00 0.00 C ATOM 433 C GLY A 24 -11.830 7.139 -0.120 1.00 0.00 C ATOM 434 O GLY A 24 -10.936 7.593 -0.831 1.00 0.00 O ATOM 0 H GLY A 24 -12.424 5.753 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.323 5.621 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.823 5.006 -0.441 1.00 0.00 H new ATOM 438 N PRO A 25 -12.274 7.721 1.026 1.00 0.00 N ATOM 439 CA PRO A 25 -11.698 8.967 1.504 1.00 0.00 C ATOM 440 C PRO A 25 -10.316 8.732 2.118 1.00 0.00 C ATOM 441 O PRO A 25 -10.137 7.820 2.923 1.00 0.00 O ATOM 442 CB PRO A 25 -12.707 9.509 2.503 1.00 0.00 C ATOM 443 CG PRO A 25 -13.582 8.329 2.894 1.00 0.00 C ATOM 444 CD PRO A 25 -13.332 7.212 1.894 1.00 0.00 C ATOM 0 HA PRO A 25 -11.525 9.685 0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.206 9.929 3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.303 10.308 2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.345 7.997 3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.634 8.616 2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.026 6.294 2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.233 6.980 1.326 1.00 0.00 H new ATOM 452 N HIS A 26 -9.374 9.572 1.713 1.00 0.00 N ATOM 453 CA HIS A 26 -8.014 9.467 2.213 1.00 0.00 C ATOM 454 C HIS A 26 -8.002 9.714 3.723 1.00 0.00 C ATOM 455 O HIS A 26 -8.472 10.750 4.190 1.00 0.00 O ATOM 456 CB HIS A 26 -7.081 10.410 1.450 1.00 0.00 C ATOM 457 CG HIS A 26 -7.247 10.357 -0.050 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.080 9.195 -0.782 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.567 11.334 -0.946 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.291 9.472 -2.060 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.593 10.798 -2.160 1.00 0.00 N ATOM 0 H HIS A 26 -9.526 10.328 1.045 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.636 8.459 2.042 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.257 11.431 1.789 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.049 10.164 1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.766 12.369 -0.708 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.234 8.771 -2.879 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.804 11.296 -3.025 1.00 0.00 H new ATOM 469 N LYS A 27 -7.458 8.745 4.444 1.00 0.00 N ATOM 470 CA LYS A 27 -7.378 8.844 5.892 1.00 0.00 C ATOM 471 C LYS A 27 -5.918 9.037 6.306 1.00 0.00 C ATOM 472 O LYS A 27 -5.377 10.136 6.193 1.00 0.00 O ATOM 473 CB LYS A 27 -8.049 7.637 6.550 1.00 0.00 C ATOM 474 CG LYS A 27 -9.541 7.894 6.774 1.00 0.00 C ATOM 475 CD LYS A 27 -9.910 7.727 8.249 1.00 0.00 C ATOM 476 CE LYS A 27 -11.428 7.658 8.430 1.00 0.00 C ATOM 477 NZ LYS A 27 -12.003 9.020 8.503 1.00 0.00 N ATOM 0 H LYS A 27 -7.068 7.887 4.053 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.928 9.717 6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.918 6.756 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.566 7.423 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.794 8.902 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.128 7.204 6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.452 6.819 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.509 8.561 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.875 7.112 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.667 7.106 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.034 8.956 8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.589 9.529 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.791 9.534 7.624 1.00 0.00 H new ATOM 491 N VAL A 28 -5.321 7.952 6.776 1.00 0.00 N ATOM 492 CA VAL A 28 -3.934 7.987 7.207 1.00 0.00 C ATOM 493 C VAL A 28 -3.021 7.862 5.985 1.00 0.00 C ATOM 494 O VAL A 28 -1.873 8.302 6.016 1.00 0.00 O ATOM 495 CB VAL A 28 -3.683 6.901 8.255 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.194 6.797 8.591 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.514 7.152 9.515 1.00 0.00 C ATOM 0 H VAL A 28 -5.773 7.042 6.868 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.707 8.940 7.686 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.998 5.947 7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.043 6.018 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.634 6.548 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.842 7.751 8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.317 6.366 10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.245 8.118 9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.573 7.151 9.258 1.00 0.00 H new ATOM 507 N GLY A 29 -3.566 7.259 4.939 1.00 0.00 N ATOM 508 CA GLY A 29 -2.816 7.070 3.709 1.00 0.00 C ATOM 509 C GLY A 29 -3.728 7.187 2.486 1.00 0.00 C ATOM 510 O GLY A 29 -4.943 7.318 2.624 1.00 0.00 O ATOM 0 H GLY A 29 -4.519 6.895 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.021 7.813 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.337 6.091 3.718 1.00 0.00 H new ATOM 514 N PRO A 30 -3.090 7.134 1.286 1.00 0.00 N ATOM 515 CA PRO A 30 -3.830 7.232 0.040 1.00 0.00 C ATOM 516 C PRO A 30 -4.575 5.930 -0.259 1.00 0.00 C ATOM 517 O PRO A 30 -4.168 4.860 0.191 1.00 0.00 O ATOM 518 CB PRO A 30 -2.788 7.575 -1.011 1.00 0.00 C ATOM 519 CG PRO A 30 -1.445 7.200 -0.405 1.00 0.00 C ATOM 520 CD PRO A 30 -1.652 6.980 1.085 1.00 0.00 C ATOM 0 HA PRO A 30 -4.609 7.994 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.968 7.023 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.821 8.635 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.053 6.297 -0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.715 7.991 -0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.313 5.990 1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.090 7.705 1.674 1.00 0.00 H new ATOM 528 N ASN A 31 -5.654 6.063 -1.017 1.00 0.00 N ATOM 529 CA ASN A 31 -6.459 4.910 -1.382 1.00 0.00 C ATOM 530 C ASN A 31 -5.562 3.847 -2.019 1.00 0.00 C ATOM 531 O ASN A 31 -4.520 4.170 -2.589 1.00 0.00 O ATOM 532 CB ASN A 31 -7.537 5.291 -2.400 1.00 0.00 C ATOM 533 CG ASN A 31 -8.928 4.901 -1.897 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.537 5.581 -1.087 1.00 0.00 O ATOM 535 ND2 ASN A 31 -9.395 3.771 -2.420 1.00 0.00 N ATOM 0 H ASN A 31 -5.989 6.952 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.934 4.531 -0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.502 6.364 -2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.337 4.795 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.315 3.425 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.833 3.250 -3.093 1.00 0.00 H new ATOM 542 N LEU A 32 -5.998 2.602 -1.901 1.00 0.00 N ATOM 543 CA LEU A 32 -5.247 1.490 -2.458 1.00 0.00 C ATOM 544 C LEU A 32 -6.126 0.738 -3.460 1.00 0.00 C ATOM 545 O LEU A 32 -6.194 -0.490 -3.433 1.00 0.00 O ATOM 546 CB LEU A 32 -4.693 0.604 -1.341 1.00 0.00 C ATOM 547 CG LEU A 32 -3.752 1.288 -0.347 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.207 0.285 0.672 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.632 2.032 -1.076 1.00 0.00 C ATOM 0 H LEU A 32 -6.862 2.338 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.377 1.854 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.533 0.185 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.163 -0.232 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.323 2.032 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.541 0.797 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.035 -0.159 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.656 -0.499 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.977 2.509 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.055 1.326 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.064 2.792 -1.728 1.00 0.00 H new ATOM 561 N HIS A 33 -6.777 1.506 -4.321 1.00 0.00 N ATOM 562 CA HIS A 33 -7.648 0.928 -5.330 1.00 0.00 C ATOM 563 C HIS A 33 -6.839 -0.005 -6.233 1.00 0.00 C ATOM 564 O HIS A 33 -6.129 -0.884 -5.747 1.00 0.00 O ATOM 565 CB HIS A 33 -8.377 2.024 -6.111 1.00 0.00 C ATOM 566 CG HIS A 33 -9.573 1.530 -6.890 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.024 0.224 -6.823 1.00 0.00 N ATOM 568 CD2 HIS A 33 -10.406 2.182 -7.751 1.00 0.00 C ATOM 569 CE1 HIS A 33 -11.081 0.105 -7.613 1.00 0.00 C ATOM 570 NE2 HIS A 33 -11.316 1.320 -8.188 1.00 0.00 N ATOM 0 H HIS A 33 -6.719 2.524 -4.341 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.422 0.330 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.703 2.796 -5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.675 2.493 -6.801 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.337 3.223 -8.030 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.656 -0.795 -7.774 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.067 1.531 -8.845 1.00 0.00 H new ATOM 578 N GLY A 34 -6.973 0.219 -7.532 1.00 0.00 N ATOM 579 CA GLY A 34 -6.263 -0.591 -8.508 1.00 0.00 C ATOM 580 C GLY A 34 -4.820 -0.110 -8.675 1.00 0.00 C ATOM 581 O GLY A 34 -4.405 0.247 -9.776 1.00 0.00 O ATOM 0 H GLY A 34 -7.562 0.949 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.268 -1.634 -8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.778 -0.546 -9.467 1.00 0.00 H new ATOM 585 N ILE A 35 -4.097 -0.117 -7.565 1.00 0.00 N ATOM 586 CA ILE A 35 -2.709 0.315 -7.574 1.00 0.00 C ATOM 587 C ILE A 35 -1.869 -0.700 -8.352 1.00 0.00 C ATOM 588 O ILE A 35 -0.940 -0.325 -9.066 1.00 0.00 O ATOM 589 CB ILE A 35 -2.214 0.557 -6.147 1.00 0.00 C ATOM 590 CG1 ILE A 35 -1.850 -0.761 -5.461 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.237 1.360 -5.340 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.097 -1.454 -4.908 1.00 0.00 C ATOM 0 H ILE A 35 -4.446 -0.415 -6.654 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.611 1.272 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.304 1.155 -6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.349 -1.419 -6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.146 -0.571 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.860 1.518 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.403 2.324 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.177 0.810 -5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.810 -2.388 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.582 -0.804 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.788 -1.664 -5.724 1.00 0.00 H new ATOM 604 N PHE A 36 -2.225 -1.966 -8.187 1.00 0.00 N ATOM 605 CA PHE A 36 -1.516 -3.037 -8.865 1.00 0.00 C ATOM 606 C PHE A 36 -1.608 -2.880 -10.384 1.00 0.00 C ATOM 607 O PHE A 36 -2.365 -3.594 -11.041 1.00 0.00 O ATOM 608 CB PHE A 36 -2.191 -4.348 -8.458 1.00 0.00 C ATOM 609 CG PHE A 36 -1.912 -4.770 -7.014 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.671 -4.601 -6.484 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.905 -5.314 -6.260 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.411 -4.992 -5.144 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.645 -5.705 -4.920 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.404 -5.536 -4.390 1.00 0.00 C ATOM 0 H PHE A 36 -2.995 -2.273 -7.593 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.462 -3.019 -8.588 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.268 -4.248 -8.595 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.857 -5.140 -9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.117 -4.169 -7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.891 -5.448 -6.680 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.575 -4.858 -4.724 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.433 -6.137 -4.321 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.207 -5.834 -3.371 1.00 0.00 H new ATOM 624 N GLY A 37 -0.827 -1.942 -10.899 1.00 0.00 N ATOM 625 CA GLY A 37 -0.811 -1.682 -12.328 1.00 0.00 C ATOM 626 C GLY A 37 -0.509 -0.210 -12.615 1.00 0.00 C ATOM 627 O GLY A 37 -0.130 0.144 -13.730 1.00 0.00 O ATOM 0 H GLY A 37 -0.200 -1.352 -10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.061 -2.311 -12.807 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.775 -1.950 -12.761 1.00 0.00 H new ATOM 631 N ARG A 38 -0.687 0.608 -11.588 1.00 0.00 N ATOM 632 CA ARG A 38 -0.439 2.034 -11.716 1.00 0.00 C ATOM 633 C ARG A 38 0.980 2.369 -11.250 1.00 0.00 C ATOM 634 O ARG A 38 1.747 1.476 -10.894 1.00 0.00 O ATOM 635 CB ARG A 38 -1.442 2.844 -10.893 1.00 0.00 C ATOM 636 CG ARG A 38 -2.584 3.359 -11.773 1.00 0.00 C ATOM 637 CD ARG A 38 -3.589 2.246 -12.074 1.00 0.00 C ATOM 638 NE ARG A 38 -4.490 2.661 -13.172 1.00 0.00 N ATOM 639 CZ ARG A 38 -5.156 1.807 -13.961 1.00 0.00 C ATOM 640 NH1 ARG A 38 -5.026 0.486 -13.779 1.00 0.00 N ATOM 641 NH2 ARG A 38 -5.953 2.275 -14.932 1.00 0.00 N ATOM 0 H ARG A 38 -1.000 0.311 -10.664 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.553 2.297 -12.768 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.846 2.224 -10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.935 3.685 -10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.090 4.185 -11.272 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.180 3.751 -12.706 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.061 1.333 -12.351 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.171 2.019 -11.181 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.612 3.660 -13.339 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.420 0.130 -13.040 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.533 -0.164 -14.380 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.052 3.281 -15.070 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.460 1.625 -15.533 1.00 0.00 H new ATOM 655 N HIS A 39 1.285 3.658 -11.269 1.00 0.00 N ATOM 656 CA HIS A 39 2.598 4.122 -10.853 1.00 0.00 C ATOM 657 C HIS A 39 2.472 4.923 -9.556 1.00 0.00 C ATOM 658 O HIS A 39 1.411 5.469 -9.260 1.00 0.00 O ATOM 659 CB HIS A 39 3.275 4.912 -11.975 1.00 0.00 C ATOM 660 CG HIS A 39 4.565 4.300 -12.465 1.00 0.00 C ATOM 661 ND1 HIS A 39 4.980 4.380 -13.783 1.00 0.00 N ATOM 662 CD2 HIS A 39 5.528 3.597 -11.801 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.140 3.750 -13.896 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.478 3.265 -12.667 1.00 0.00 N ATOM 0 H HIS A 39 0.646 4.396 -11.566 1.00 0.00 H new ATOM 0 HA HIS A 39 3.243 3.267 -10.649 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.584 4.997 -12.813 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.476 5.924 -11.623 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.519 3.352 -10.749 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.717 3.640 -14.802 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.322 2.735 -12.449 1.00 0.00 H new ATOM 672 N SER A 40 3.571 4.968 -8.817 1.00 0.00 N ATOM 673 CA SER A 40 3.597 5.694 -7.558 1.00 0.00 C ATOM 674 C SER A 40 2.798 6.992 -7.686 1.00 0.00 C ATOM 675 O SER A 40 3.046 7.792 -8.586 1.00 0.00 O ATOM 676 CB SER A 40 5.033 5.995 -7.125 1.00 0.00 C ATOM 677 OG SER A 40 5.689 6.880 -8.029 1.00 0.00 O ATOM 0 H SER A 40 4.450 4.514 -9.066 1.00 0.00 H new ATOM 0 HA SER A 40 3.140 5.067 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.026 6.435 -6.128 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.594 5.063 -7.058 1.00 0.00 H new ATOM 0 HG SER A 40 5.020 7.371 -8.549 1.00 0.00 H new ATOM 683 N GLY A 41 1.854 7.161 -6.771 1.00 0.00 N ATOM 684 CA GLY A 41 1.017 8.349 -6.770 1.00 0.00 C ATOM 685 C GLY A 41 -0.099 8.233 -7.810 1.00 0.00 C ATOM 686 O GLY A 41 0.156 8.305 -9.011 1.00 0.00 O ATOM 0 H GLY A 41 1.650 6.495 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.583 8.492 -5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.626 9.228 -6.981 1.00 0.00 H new ATOM 690 N GLN A 42 -1.314 8.057 -7.310 1.00 0.00 N ATOM 691 CA GLN A 42 -2.470 7.931 -8.180 1.00 0.00 C ATOM 692 C GLN A 42 -3.637 8.758 -7.636 1.00 0.00 C ATOM 693 O GLN A 42 -4.762 8.644 -8.120 1.00 0.00 O ATOM 694 CB GLN A 42 -2.871 6.464 -8.350 1.00 0.00 C ATOM 695 CG GLN A 42 -1.641 5.582 -8.576 1.00 0.00 C ATOM 696 CD GLN A 42 -1.965 4.111 -8.307 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.075 3.647 -8.506 1.00 0.00 O ATOM 698 NE2 GLN A 42 -0.935 3.406 -7.846 1.00 0.00 N ATOM 0 H GLN A 42 -1.522 7.999 -6.313 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.203 8.318 -9.164 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.408 6.125 -7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.554 6.365 -9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.288 5.699 -9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.832 5.906 -7.921 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.032 3.857 -7.702 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.049 2.414 -7.637 1.00 0.00 H new ATOM 707 N ALA A 43 -3.328 9.572 -6.638 1.00 0.00 N ATOM 708 CA ALA A 43 -4.336 10.419 -6.023 1.00 0.00 C ATOM 709 C ALA A 43 -4.217 11.837 -6.584 1.00 0.00 C ATOM 710 O ALA A 43 -3.113 12.324 -6.820 1.00 0.00 O ATOM 711 CB ALA A 43 -4.178 10.379 -4.501 1.00 0.00 C ATOM 0 H ALA A 43 -2.394 9.663 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.337 10.055 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.934 11.014 -4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.301 9.355 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.186 10.739 -4.229 1.00 0.00 H new ATOM 717 N GLU A 44 -5.370 12.459 -6.782 1.00 0.00 N ATOM 718 CA GLU A 44 -5.409 13.812 -7.312 1.00 0.00 C ATOM 719 C GLU A 44 -5.460 14.828 -6.169 1.00 0.00 C ATOM 720 O GLU A 44 -4.478 15.520 -5.904 1.00 0.00 O ATOM 721 CB GLU A 44 -6.594 13.995 -8.262 1.00 0.00 C ATOM 722 CG GLU A 44 -6.194 13.679 -9.704 1.00 0.00 C ATOM 723 CD GLU A 44 -6.863 14.646 -10.683 1.00 0.00 C ATOM 724 OE1 GLU A 44 -8.086 14.853 -10.529 1.00 0.00 O ATOM 725 OE2 GLU A 44 -6.137 15.157 -11.563 1.00 0.00 O ATOM 0 H GLU A 44 -6.284 12.051 -6.585 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.497 13.984 -7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.413 13.344 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.961 15.020 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.111 13.743 -9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.477 12.655 -9.948 1.00 0.00 H new ATOM 732 N GLY A 45 -6.615 14.886 -5.522 1.00 0.00 N ATOM 733 CA GLY A 45 -6.808 15.805 -4.414 1.00 0.00 C ATOM 734 C GLY A 45 -5.680 15.671 -3.388 1.00 0.00 C ATOM 735 O GLY A 45 -5.264 16.659 -2.785 1.00 0.00 O ATOM 0 H GLY A 45 -7.427 14.311 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.845 16.828 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.766 15.606 -3.934 1.00 0.00 H new ATOM 739 N TYR A 46 -5.219 14.440 -3.221 1.00 0.00 N ATOM 740 CA TYR A 46 -4.148 14.164 -2.279 1.00 0.00 C ATOM 741 C TYR A 46 -2.788 14.541 -2.868 1.00 0.00 C ATOM 742 O TYR A 46 -2.460 14.144 -3.985 1.00 0.00 O ATOM 743 CB TYR A 46 -4.183 12.655 -2.032 1.00 0.00 C ATOM 744 CG TYR A 46 -3.803 12.248 -0.607 1.00 0.00 C ATOM 745 CD1 TYR A 46 -4.769 12.195 0.377 1.00 0.00 C ATOM 746 CD2 TYR A 46 -2.493 11.935 -0.305 1.00 0.00 C ATOM 747 CE1 TYR A 46 -4.412 11.812 1.718 1.00 0.00 C ATOM 748 CE2 TYR A 46 -2.135 11.553 1.037 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.112 11.510 1.982 1.00 0.00 C ATOM 750 OH TYR A 46 -2.774 11.149 3.249 1.00 0.00 O ATOM 0 H TYR A 46 -5.568 13.623 -3.722 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.284 14.741 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.185 12.285 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.504 12.167 -2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.794 12.441 0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.737 11.976 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.159 11.765 2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.114 11.306 1.287 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.813 10.961 3.290 1.00 0.00 H new ATOM 760 N SER A 47 -2.032 15.303 -2.091 1.00 0.00 N ATOM 761 CA SER A 47 -0.715 15.739 -2.522 1.00 0.00 C ATOM 762 C SER A 47 0.260 14.560 -2.496 1.00 0.00 C ATOM 763 O SER A 47 1.246 14.548 -3.232 1.00 0.00 O ATOM 764 CB SER A 47 -0.196 16.877 -1.642 1.00 0.00 C ATOM 765 OG SER A 47 -0.289 16.565 -0.255 1.00 0.00 O ATOM 0 H SER A 47 -2.307 15.630 -1.165 1.00 0.00 H new ATOM 0 HA SER A 47 -0.795 16.114 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.843 17.088 -1.897 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.765 17.783 -1.849 1.00 0.00 H new ATOM 0 HG SER A 47 0.054 17.316 0.273 1.00 0.00 H new ATOM 771 N TYR A 48 -0.049 13.597 -1.640 1.00 0.00 N ATOM 772 CA TYR A 48 0.788 12.416 -1.508 1.00 0.00 C ATOM 773 C TYR A 48 2.171 12.783 -0.964 1.00 0.00 C ATOM 774 O TYR A 48 2.393 13.913 -0.535 1.00 0.00 O ATOM 775 CB TYR A 48 0.943 11.849 -2.920 1.00 0.00 C ATOM 776 CG TYR A 48 0.307 10.470 -3.109 1.00 0.00 C ATOM 777 CD1 TYR A 48 -1.066 10.333 -3.077 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.106 9.363 -3.313 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.665 9.035 -3.255 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.507 8.066 -3.491 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.848 7.966 -3.453 1.00 0.00 C ATOM 782 OH TYR A 48 -1.414 6.740 -3.622 1.00 0.00 O ATOM 0 H TYR A 48 -0.867 13.610 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 48 0.339 11.702 -0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.497 12.544 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.004 11.785 -3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.691 11.199 -2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.180 9.470 -3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.738 8.914 -3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.121 7.192 -3.651 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.749 6.120 -3.987 1.00 0.00 H new ATOM 792 N THR A 49 3.064 11.804 -1.001 1.00 0.00 N ATOM 793 CA THR A 49 4.419 12.009 -0.517 1.00 0.00 C ATOM 794 C THR A 49 5.365 12.291 -1.686 1.00 0.00 C ATOM 795 O THR A 49 5.152 11.802 -2.794 1.00 0.00 O ATOM 796 CB THR A 49 4.818 10.783 0.305 1.00 0.00 C ATOM 797 OG1 THR A 49 4.728 9.701 -0.618 1.00 0.00 O ATOM 798 CG2 THR A 49 3.787 10.440 1.382 1.00 0.00 C ATOM 0 H THR A 49 2.876 10.867 -1.358 1.00 0.00 H new ATOM 0 HA THR A 49 4.480 12.885 0.129 1.00 0.00 H new ATOM 0 HB THR A 49 5.787 10.959 0.772 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.378 9.009 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.118 9.562 1.937 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.681 11.282 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.826 10.231 0.912 1.00 0.00 H new ATOM 806 N ASP A 50 6.390 13.079 -1.399 1.00 0.00 N ATOM 807 CA ASP A 50 7.370 13.432 -2.412 1.00 0.00 C ATOM 808 C ASP A 50 8.505 12.406 -2.398 1.00 0.00 C ATOM 809 O ASP A 50 9.567 12.642 -2.971 1.00 0.00 O ATOM 810 CB ASP A 50 7.976 14.810 -2.136 1.00 0.00 C ATOM 811 CG ASP A 50 7.654 15.879 -3.183 1.00 0.00 C ATOM 812 OD1 ASP A 50 6.493 16.341 -3.184 1.00 0.00 O ATOM 813 OD2 ASP A 50 8.577 16.209 -3.959 1.00 0.00 O ATOM 0 H ASP A 50 6.563 13.483 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 50 6.865 13.446 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.625 15.157 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.059 14.707 -2.065 1.00 0.00 H new ATOM 818 N ALA A 51 8.241 11.289 -1.736 1.00 0.00 N ATOM 819 CA ALA A 51 9.226 10.226 -1.639 1.00 0.00 C ATOM 820 C ALA A 51 8.786 9.047 -2.510 1.00 0.00 C ATOM 821 O ALA A 51 9.607 8.430 -3.187 1.00 0.00 O ATOM 822 CB ALA A 51 9.409 9.830 -0.173 1.00 0.00 C ATOM 0 H ALA A 51 7.359 11.097 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 51 10.194 10.566 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.148 9.032 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.751 10.694 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.459 9.481 0.231 1.00 0.00 H new ATOM 828 N ASN A 52 7.491 8.770 -2.465 1.00 0.00 N ATOM 829 CA ASN A 52 6.932 7.677 -3.241 1.00 0.00 C ATOM 830 C ASN A 52 6.759 8.125 -4.694 1.00 0.00 C ATOM 831 O ASN A 52 7.209 7.444 -5.615 1.00 0.00 O ATOM 832 CB ASN A 52 5.558 7.268 -2.706 1.00 0.00 C ATOM 833 CG ASN A 52 5.252 5.807 -3.042 1.00 0.00 C ATOM 834 OD1 ASN A 52 5.207 5.403 -4.192 1.00 0.00 O ATOM 835 ND2 ASN A 52 5.043 5.040 -1.976 1.00 0.00 N ATOM 0 H ASN A 52 6.813 9.284 -1.903 1.00 0.00 H new ATOM 0 HA ASN A 52 7.614 6.830 -3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.527 7.411 -1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.790 7.912 -3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.830 4.050 -2.094 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.096 5.442 -1.040 1.00 0.00 H new ATOM 842 N ILE A 53 6.108 9.267 -4.854 1.00 0.00 N ATOM 843 CA ILE A 53 5.870 9.814 -6.180 1.00 0.00 C ATOM 844 C ILE A 53 7.198 9.902 -6.935 1.00 0.00 C ATOM 845 O ILE A 53 7.256 9.617 -8.130 1.00 0.00 O ATOM 846 CB ILE A 53 5.127 11.148 -6.084 1.00 0.00 C ATOM 847 CG1 ILE A 53 3.670 10.935 -5.670 1.00 0.00 C ATOM 848 CG2 ILE A 53 5.243 11.935 -7.390 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.011 12.260 -5.280 1.00 0.00 C ATOM 0 H ILE A 53 5.738 9.829 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 53 5.219 9.154 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 53 5.599 11.747 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.118 10.478 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.624 10.241 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.706 12.879 -7.295 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.293 12.135 -7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.812 11.353 -8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.976 12.080 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.551 12.702 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.036 12.943 -6.129 1.00 0.00 H new ATOM 861 N LYS A 54 8.231 10.299 -6.207 1.00 0.00 N ATOM 862 CA LYS A 54 9.554 10.429 -6.794 1.00 0.00 C ATOM 863 C LYS A 54 10.269 9.077 -6.733 1.00 0.00 C ATOM 864 O LYS A 54 11.432 9.003 -6.340 1.00 0.00 O ATOM 865 CB LYS A 54 10.329 11.565 -6.123 1.00 0.00 C ATOM 866 CG LYS A 54 9.559 12.883 -6.216 1.00 0.00 C ATOM 867 CD LYS A 54 9.867 13.607 -7.528 1.00 0.00 C ATOM 868 CE LYS A 54 9.294 15.026 -7.519 1.00 0.00 C ATOM 869 NZ LYS A 54 10.245 15.973 -8.142 1.00 0.00 N ATOM 0 H LYS A 54 8.179 10.535 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 54 9.479 10.704 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.510 11.318 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.304 11.675 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.489 12.689 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.822 13.522 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.945 13.647 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.448 13.047 -8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.347 15.045 -8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.084 15.333 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.841 16.931 -8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.139 15.967 -7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.425 15.688 -9.126 1.00 0.00 H new ATOM 883 N LYS A 55 9.543 8.042 -7.129 1.00 0.00 N ATOM 884 CA LYS A 55 10.093 6.697 -7.125 1.00 0.00 C ATOM 885 C LYS A 55 9.674 5.975 -8.407 1.00 0.00 C ATOM 886 O LYS A 55 10.499 5.346 -9.068 1.00 0.00 O ATOM 887 CB LYS A 55 9.695 5.959 -5.845 1.00 0.00 C ATOM 888 CG LYS A 55 10.804 5.007 -5.393 1.00 0.00 C ATOM 889 CD LYS A 55 10.840 3.753 -6.269 1.00 0.00 C ATOM 890 CE LYS A 55 12.239 3.134 -6.283 1.00 0.00 C ATOM 891 NZ LYS A 55 12.506 2.484 -7.585 1.00 0.00 N ATOM 0 H LYS A 55 8.579 8.108 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 55 11.182 6.731 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.486 6.680 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.776 5.398 -6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.767 5.516 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.644 4.724 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.120 3.024 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.540 4.007 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.986 3.905 -6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.327 2.402 -5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.460 2.069 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.804 1.735 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.442 3.191 -8.345 1.00 0.00 H new ATOM 905 N ASN A 56 8.391 6.089 -8.720 1.00 0.00 N ATOM 906 CA ASN A 56 7.853 5.455 -9.911 1.00 0.00 C ATOM 907 C ASN A 56 7.680 3.957 -9.652 1.00 0.00 C ATOM 908 O ASN A 56 7.822 3.145 -10.566 1.00 0.00 O ATOM 909 CB ASN A 56 8.799 5.623 -11.101 1.00 0.00 C ATOM 910 CG ASN A 56 8.050 6.146 -12.328 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.926 5.480 -13.343 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.559 7.373 -12.180 1.00 0.00 N ATOM 0 H ASN A 56 7.709 6.611 -8.169 1.00 0.00 H new ATOM 0 HA ASN A 56 6.898 5.927 -10.141 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.600 6.314 -10.838 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.266 4.667 -11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.043 7.811 -12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.699 7.876 -11.304 1.00 0.00 H new ATOM 919 N VAL A 57 7.377 3.636 -8.403 1.00 0.00 N ATOM 920 CA VAL A 57 7.183 2.250 -8.013 1.00 0.00 C ATOM 921 C VAL A 57 5.872 1.734 -8.609 1.00 0.00 C ATOM 922 O VAL A 57 4.813 1.871 -8.000 1.00 0.00 O ATOM 923 CB VAL A 57 7.238 2.123 -6.489 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.283 3.114 -5.822 1.00 0.00 C ATOM 925 CG2 VAL A 57 6.936 0.689 -6.047 1.00 0.00 C ATOM 0 H VAL A 57 7.261 4.312 -7.648 1.00 0.00 H new ATOM 0 HA VAL A 57 7.986 1.627 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 57 8.251 2.366 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.341 3.003 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.562 4.131 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.263 2.915 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.982 0.626 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.939 0.406 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.672 0.012 -6.481 1.00 0.00 H new ATOM 935 N LEU A 58 5.986 1.152 -9.794 1.00 0.00 N ATOM 936 CA LEU A 58 4.823 0.616 -10.480 1.00 0.00 C ATOM 937 C LEU A 58 4.286 -0.586 -9.700 1.00 0.00 C ATOM 938 O LEU A 58 4.775 -1.703 -9.860 1.00 0.00 O ATOM 939 CB LEU A 58 5.158 0.302 -11.939 1.00 0.00 C ATOM 940 CG LEU A 58 3.971 0.241 -12.902 1.00 0.00 C ATOM 941 CD1 LEU A 58 3.624 1.633 -13.433 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.233 -0.755 -14.033 1.00 0.00 C ATOM 0 H LEU A 58 6.867 1.040 -10.297 1.00 0.00 H new ATOM 0 HA LEU A 58 4.025 1.358 -10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.856 1.057 -12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.678 -0.655 -11.974 1.00 0.00 H new ATOM 0 HG LEU A 58 3.102 -0.119 -12.351 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.777 1.561 -14.115 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.365 2.286 -12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.483 2.045 -13.963 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.374 -0.779 -14.703 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.119 -0.449 -14.590 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.394 -1.748 -13.613 1.00 0.00 H new ATOM 954 N TRP A 59 3.286 -0.315 -8.873 1.00 0.00 N ATOM 955 CA TRP A 59 2.678 -1.360 -8.068 1.00 0.00 C ATOM 956 C TRP A 59 2.131 -2.430 -9.016 1.00 0.00 C ATOM 957 O TRP A 59 1.660 -2.114 -10.107 1.00 0.00 O ATOM 958 CB TRP A 59 1.609 -0.783 -7.137 1.00 0.00 C ATOM 959 CG TRP A 59 2.009 0.534 -6.471 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.576 1.769 -6.759 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.946 0.699 -5.386 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.163 2.715 -5.943 1.00 0.00 N ATOM 963 CE2 TRP A 59 3.023 2.043 -5.081 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.704 -0.255 -4.685 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.845 2.554 -4.069 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.520 0.271 -3.677 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.609 1.621 -3.358 1.00 0.00 C ATOM 0 H TRP A 59 2.882 0.613 -8.744 1.00 0.00 H new ATOM 0 HA TRP A 59 3.417 -1.821 -7.412 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.692 -0.627 -7.706 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.383 -1.516 -6.363 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.858 1.996 -7.533 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.997 3.721 -5.968 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.660 -1.311 -4.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.887 3.611 -3.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.123 -0.420 -3.107 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.265 1.949 -2.565 1.00 0.00 H new ATOM 978 N ASP A 60 2.212 -3.673 -8.564 1.00 0.00 N ATOM 979 CA ASP A 60 1.731 -4.790 -9.359 1.00 0.00 C ATOM 980 C ASP A 60 1.156 -5.861 -8.430 1.00 0.00 C ATOM 981 O ASP A 60 -0.028 -6.185 -8.508 1.00 0.00 O ATOM 982 CB ASP A 60 2.868 -5.424 -10.163 1.00 0.00 C ATOM 983 CG ASP A 60 2.503 -5.825 -11.593 1.00 0.00 C ATOM 984 OD1 ASP A 60 1.432 -6.450 -11.752 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.303 -5.498 -12.497 1.00 0.00 O ATOM 0 H ASP A 60 2.603 -3.931 -7.658 1.00 0.00 H new ATOM 0 HA ASP A 60 0.971 -4.414 -10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.702 -4.723 -10.200 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.219 -6.309 -9.632 1.00 0.00 H new ATOM 990 N GLU A 61 2.021 -6.380 -7.571 1.00 0.00 N ATOM 991 CA GLU A 61 1.614 -7.408 -6.627 1.00 0.00 C ATOM 992 C GLU A 61 2.791 -7.807 -5.736 1.00 0.00 C ATOM 993 O GLU A 61 2.872 -7.387 -4.583 1.00 0.00 O ATOM 994 CB GLU A 61 1.040 -8.625 -7.356 1.00 0.00 C ATOM 995 CG GLU A 61 0.524 -9.666 -6.361 1.00 0.00 C ATOM 996 CD GLU A 61 1.370 -10.940 -6.412 1.00 0.00 C ATOM 997 OE1 GLU A 61 1.063 -11.791 -7.275 1.00 0.00 O ATOM 998 OE2 GLU A 61 2.304 -11.034 -5.587 1.00 0.00 O ATOM 0 H GLU A 61 3.002 -6.108 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 61 0.826 -7.001 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.229 -8.311 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.808 -9.070 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.544 -9.252 -5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.515 -9.906 -6.586 1.00 0.00 H new ATOM 1005 N ASN A 62 3.676 -8.613 -6.304 1.00 0.00 N ATOM 1006 CA ASN A 62 4.845 -9.073 -5.575 1.00 0.00 C ATOM 1007 C ASN A 62 5.696 -7.868 -5.170 1.00 0.00 C ATOM 1008 O ASN A 62 6.265 -7.843 -4.080 1.00 0.00 O ATOM 1009 CB ASN A 62 5.709 -9.991 -6.443 1.00 0.00 C ATOM 1010 CG ASN A 62 6.462 -9.190 -7.508 1.00 0.00 C ATOM 1011 OD1 ASN A 62 7.455 -8.534 -7.241 1.00 0.00 O ATOM 1012 ND2 ASN A 62 5.935 -9.281 -8.725 1.00 0.00 N ATOM 0 H ASN A 62 3.607 -8.959 -7.261 1.00 0.00 H new ATOM 0 HA ASN A 62 4.501 -9.623 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.421 -10.527 -5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.080 -10.741 -6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.364 -8.783 -9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.102 -9.848 -8.879 1.00 0.00 H new ATOM 1019 N ASN A 63 5.755 -6.897 -6.070 1.00 0.00 N ATOM 1020 CA ASN A 63 6.527 -5.691 -5.820 1.00 0.00 C ATOM 1021 C ASN A 63 6.095 -5.082 -4.485 1.00 0.00 C ATOM 1022 O ASN A 63 6.814 -5.180 -3.492 1.00 0.00 O ATOM 1023 CB ASN A 63 6.289 -4.649 -6.914 1.00 0.00 C ATOM 1024 CG ASN A 63 6.836 -3.282 -6.497 1.00 0.00 C ATOM 1025 OD1 ASN A 63 5.895 -2.371 -6.263 1.00 0.00 O flip ATOM 1026 ND2 ASN A 63 8.033 -3.068 -6.395 1.00 0.00 N flip ATOM 0 H ASN A 63 5.281 -6.921 -6.973 1.00 0.00 H new ATOM 0 HA ASN A 63 7.582 -5.963 -5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.769 -4.970 -7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.222 -4.570 -7.120 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.703 -3.812 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.364 -2.145 -6.115 1.00 0.00 H new ATOM 1033 N MET A 64 4.921 -4.466 -4.504 1.00 0.00 N ATOM 1034 CA MET A 64 4.385 -3.841 -3.307 1.00 0.00 C ATOM 1035 C MET A 64 4.725 -4.661 -2.061 1.00 0.00 C ATOM 1036 O MET A 64 5.229 -4.122 -1.077 1.00 0.00 O ATOM 1037 CB MET A 64 2.866 -3.713 -3.435 1.00 0.00 C ATOM 1038 CG MET A 64 2.328 -2.616 -2.515 1.00 0.00 C ATOM 1039 SD MET A 64 0.769 -3.121 -1.807 1.00 0.00 S ATOM 1040 CE MET A 64 -0.357 -2.347 -2.955 1.00 0.00 C ATOM 0 H MET A 64 4.327 -4.387 -5.329 1.00 0.00 H new ATOM 0 HA MET A 64 4.835 -2.854 -3.203 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.602 -3.487 -4.468 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.395 -4.664 -3.186 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.047 -2.410 -1.722 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.199 -1.691 -3.076 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.776 -1.448 -2.503 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.179 -2.080 -3.866 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.162 -3.040 -3.198 1.00 0.00 H new ATOM 1050 N SER A 65 4.435 -5.951 -2.143 1.00 0.00 N ATOM 1051 CA SER A 65 4.704 -6.851 -1.034 1.00 0.00 C ATOM 1052 C SER A 65 6.070 -6.535 -0.423 1.00 0.00 C ATOM 1053 O SER A 65 6.190 -6.378 0.791 1.00 0.00 O ATOM 1054 CB SER A 65 4.649 -8.312 -1.484 1.00 0.00 C ATOM 1055 OG SER A 65 4.677 -9.213 -0.380 1.00 0.00 O ATOM 0 H SER A 65 4.016 -6.395 -2.960 1.00 0.00 H new ATOM 0 HA SER A 65 3.932 -6.703 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.742 -8.478 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.492 -8.520 -2.143 1.00 0.00 H new ATOM 0 HG SER A 65 4.957 -10.100 -0.689 1.00 0.00 H new ATOM 1061 N GLU A 66 7.067 -6.451 -1.292 1.00 0.00 N ATOM 1062 CA GLU A 66 8.420 -6.156 -0.854 1.00 0.00 C ATOM 1063 C GLU A 66 8.455 -4.827 -0.098 1.00 0.00 C ATOM 1064 O GLU A 66 9.136 -4.704 0.919 1.00 0.00 O ATOM 1065 CB GLU A 66 9.389 -6.140 -2.038 1.00 0.00 C ATOM 1066 CG GLU A 66 10.825 -6.395 -1.575 1.00 0.00 C ATOM 1067 CD GLU A 66 11.828 -6.023 -2.669 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.664 -6.547 -3.791 1.00 0.00 O ATOM 1069 OE2 GLU A 66 12.736 -5.222 -2.357 1.00 0.00 O ATOM 0 H GLU A 66 6.964 -6.582 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 66 8.742 -6.946 -0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.096 -6.900 -2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.332 -5.177 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.030 -5.814 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.944 -7.445 -1.309 1.00 0.00 H new ATOM 1076 N TYR A 67 7.713 -3.863 -0.624 1.00 0.00 N ATOM 1077 CA TYR A 67 7.650 -2.547 -0.011 1.00 0.00 C ATOM 1078 C TYR A 67 6.779 -2.568 1.246 1.00 0.00 C ATOM 1079 O TYR A 67 6.972 -1.760 2.153 1.00 0.00 O ATOM 1080 CB TYR A 67 7.004 -1.629 -1.050 1.00 0.00 C ATOM 1081 CG TYR A 67 6.263 -0.433 -0.448 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.960 0.705 -0.099 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.898 -0.493 -0.255 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.263 1.831 0.468 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.201 0.632 0.312 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.918 1.739 0.645 1.00 0.00 C ATOM 1087 OH TYR A 67 4.259 2.802 1.180 1.00 0.00 O ATOM 0 H TYR A 67 7.150 -3.967 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 67 8.645 -2.212 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.776 -1.262 -1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.305 -2.212 -1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.028 0.752 -0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.352 -1.384 -0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.797 2.728 0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.133 0.598 0.469 1.00 0.00 H new ATOM 0 HH TYR A 67 3.577 2.482 1.807 1.00 0.00 H new ATOM 1097 N LEU A 68 5.839 -3.502 1.261 1.00 0.00 N ATOM 1098 CA LEU A 68 4.938 -3.639 2.392 1.00 0.00 C ATOM 1099 C LEU A 68 5.737 -4.063 3.626 1.00 0.00 C ATOM 1100 O LEU A 68 5.566 -3.496 4.705 1.00 0.00 O ATOM 1101 CB LEU A 68 3.788 -4.588 2.049 1.00 0.00 C ATOM 1102 CG LEU A 68 2.807 -4.094 0.983 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.772 -5.171 0.649 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.149 -2.780 1.409 1.00 0.00 C ATOM 0 H LEU A 68 5.682 -4.171 0.507 1.00 0.00 H new ATOM 0 HA LEU A 68 4.472 -2.682 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.212 -5.535 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.229 -4.794 2.962 1.00 0.00 H new ATOM 0 HG LEU A 68 3.368 -3.892 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.087 -4.794 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.280 -6.059 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.211 -5.428 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.457 -2.452 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.605 -2.931 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.916 -2.020 1.556 1.00 0.00 H new ATOM 1116 N THR A 69 6.592 -5.055 3.427 1.00 0.00 N ATOM 1117 CA THR A 69 7.417 -5.561 4.511 1.00 0.00 C ATOM 1118 C THR A 69 8.447 -4.511 4.931 1.00 0.00 C ATOM 1119 O THR A 69 8.673 -4.299 6.121 1.00 0.00 O ATOM 1120 CB THR A 69 8.044 -6.878 4.051 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.954 -7.213 5.097 1.00 0.00 O ATOM 1122 CG2 THR A 69 8.938 -6.704 2.822 1.00 0.00 C ATOM 0 H THR A 69 6.731 -5.522 2.531 1.00 0.00 H new ATOM 0 HA THR A 69 6.822 -5.761 5.402 1.00 0.00 H new ATOM 0 HB THR A 69 7.255 -7.596 3.827 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.454 -7.546 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.358 -7.669 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.348 -6.307 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.747 -6.011 3.055 1.00 0.00 H new ATOM 1130 N ASN A 70 9.045 -3.881 3.930 1.00 0.00 N ATOM 1131 CA ASN A 70 10.046 -2.858 4.181 1.00 0.00 C ATOM 1132 C ASN A 70 9.699 -1.603 3.378 1.00 0.00 C ATOM 1133 O ASN A 70 10.376 -1.277 2.404 1.00 0.00 O ATOM 1134 CB ASN A 70 11.435 -3.329 3.746 1.00 0.00 C ATOM 1135 CG ASN A 70 12.526 -2.682 4.601 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.279 -1.797 5.404 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.744 -3.172 4.386 1.00 0.00 N ATOM 0 H ASN A 70 8.855 -4.059 2.944 1.00 0.00 H new ATOM 0 HA ASN A 70 10.054 -2.649 5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.498 -4.414 3.830 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.595 -3.081 2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.540 -2.807 4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.882 -3.913 3.699 1.00 0.00 H new ATOM 1144 N PRO A 71 8.616 -0.914 3.828 1.00 0.00 N ATOM 1145 CA PRO A 71 8.171 0.298 3.162 1.00 0.00 C ATOM 1146 C PRO A 71 9.096 1.473 3.486 1.00 0.00 C ATOM 1147 O PRO A 71 9.206 2.347 2.645 1.00 0.00 O ATOM 1148 CB PRO A 71 6.746 0.513 3.647 1.00 0.00 C ATOM 1149 CG PRO A 71 6.608 -0.317 4.913 1.00 0.00 C ATOM 1150 CD PRO A 71 7.790 -1.270 4.978 1.00 0.00 C ATOM 0 HA PRO A 71 8.200 0.216 2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.557 1.567 3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.025 0.198 2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.589 0.328 5.792 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.670 -0.872 4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.340 -1.155 5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.465 -2.309 4.925 1.00 0.00 H new HETATM 1158 N M3L A 72 9.687 1.410 4.669 1.00 0.00 N HETATM 1159 CA M3L A 72 10.580 2.482 5.157 1.00 0.00 C HETATM 1160 CB M3L A 72 10.653 2.402 6.695 1.00 0.00 C HETATM 1161 CG M3L A 72 10.206 3.791 7.152 1.00 0.00 C HETATM 1162 CD M3L A 72 8.672 3.926 7.196 1.00 0.00 C HETATM 1163 CE M3L A 72 8.240 3.399 8.579 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.019 4.489 9.541 1.00 0.00 N HETATM 1165 C M3L A 72 11.994 2.470 4.638 1.00 0.00 C HETATM 1166 O M3L A 72 12.657 3.504 4.566 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.490 3.753 10.715 1.00 0.00 C HETATM 1168 CM2 M3L A 72 9.313 5.136 9.839 1.00 0.00 C HETATM 1169 CM3 M3L A 72 7.056 5.477 9.027 1.00 0.00 C HETATM 0 HM33 M3L A 72 7.436 5.907 8.100 1.00 0.00 H new HETATM 0 HM32 M3L A 72 6.101 4.988 8.835 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.917 6.268 9.764 1.00 0.00 H new HETATM 0 HM23 M3L A 72 9.997 4.402 10.266 1.00 0.00 H new HETATM 0 HM22 M3L A 72 9.739 5.538 8.920 1.00 0.00 H new HETATM 0 HM21 M3L A 72 9.159 5.946 10.552 1.00 0.00 H new HETATM 0 HM13 M3L A 72 6.573 3.234 10.436 1.00 0.00 H new HETATM 0 HM12 M3L A 72 8.229 3.027 11.052 1.00 0.00 H new HETATM 0 HM11 M3L A 72 7.279 4.456 11.520 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.615 3.995 8.142 1.00 0.00 H new HETATM 0 HG2 M3L A 72 10.616 4.543 6.477 1.00 0.00 H new HETATM 0 HE3 M3L A 72 7.325 2.817 8.475 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.005 2.725 8.965 1.00 0.00 H new HETATM 0 HD3 M3L A 72 8.367 4.964 7.061 1.00 0.00 H new HETATM 0 HD2 M3L A 72 8.206 3.351 6.396 1.00 0.00 H new HETATM 0 HB3 M3L A 72 10.000 1.622 7.087 1.00 0.00 H new HETATM 0 HB2 M3L A 72 11.663 2.174 7.037 1.00 0.00 H new HETATM 0 HA M3L A 72 10.133 3.401 4.779 1.00 0.00 H new HETATM 0 H M3L A 72 9.243 0.775 5.332 1.00 0.00 H new ATOM 1189 N LYS A 73 12.393 1.290 4.188 1.00 0.00 N ATOM 1190 CA LYS A 73 13.691 1.130 3.555 1.00 0.00 C ATOM 1191 C LYS A 73 13.554 1.375 2.051 1.00 0.00 C ATOM 1192 O LYS A 73 14.102 2.342 1.524 1.00 0.00 O ATOM 1193 CB LYS A 73 14.294 -0.232 3.904 1.00 0.00 C ATOM 1194 CG LYS A 73 15.811 -0.229 3.704 1.00 0.00 C ATOM 1195 CD LYS A 73 16.525 -0.825 4.918 1.00 0.00 C ATOM 1196 CE LYS A 73 17.013 0.275 5.863 1.00 0.00 C ATOM 1197 NZ LYS A 73 18.139 1.019 5.254 1.00 0.00 N ATOM 0 H LYS A 73 11.840 0.435 4.249 1.00 0.00 H new ATOM 0 HA LYS A 73 14.394 1.871 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.061 -0.482 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.843 -1.004 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.065 -0.801 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.158 0.791 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.848 -1.493 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.371 -1.427 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.195 0.960 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.329 -0.164 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.712 1.457 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.731 0.364 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.767 1.759 4.626 1.00 0.00 H new ATOM 1211 N TYR A 74 12.820 0.483 1.403 1.00 0.00 N ATOM 1212 CA TYR A 74 12.604 0.590 -0.030 1.00 0.00 C ATOM 1213 C TYR A 74 12.444 2.052 -0.452 1.00 0.00 C ATOM 1214 O TYR A 74 13.138 2.521 -1.353 1.00 0.00 O ATOM 1215 CB TYR A 74 11.300 -0.157 -0.316 1.00 0.00 C ATOM 1216 CG TYR A 74 10.919 -0.197 -1.798 1.00 0.00 C ATOM 1217 CD1 TYR A 74 11.572 -1.058 -2.655 1.00 0.00 C ATOM 1218 CD2 TYR A 74 9.921 0.629 -2.276 1.00 0.00 C ATOM 1219 CE1 TYR A 74 11.213 -1.095 -4.049 1.00 0.00 C ATOM 1220 CE2 TYR A 74 9.562 0.591 -3.670 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.226 -0.269 -4.488 1.00 0.00 C ATOM 1222 OH TYR A 74 9.887 -0.305 -5.804 1.00 0.00 O ATOM 0 H TYR A 74 12.367 -0.318 1.844 1.00 0.00 H new ATOM 0 HA TYR A 74 13.451 0.178 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.390 -1.179 0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.492 0.315 0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.352 -1.704 -2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.410 1.303 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 74 11.717 -1.764 -4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.783 1.231 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 74 10.260 -1.112 -6.216 1.00 0.00 H new ATOM 1232 N ILE A 75 11.526 2.732 0.219 1.00 0.00 N ATOM 1233 CA ILE A 75 11.266 4.131 -0.075 1.00 0.00 C ATOM 1234 C ILE A 75 11.737 4.991 1.100 1.00 0.00 C ATOM 1235 O ILE A 75 11.110 5.000 2.158 1.00 0.00 O ATOM 1236 CB ILE A 75 9.794 4.338 -0.437 1.00 0.00 C ATOM 1237 CG1 ILE A 75 9.501 3.830 -1.851 1.00 0.00 C ATOM 1238 CG2 ILE A 75 9.386 5.801 -0.257 1.00 0.00 C ATOM 1239 CD1 ILE A 75 8.079 3.275 -1.950 1.00 0.00 C ATOM 0 H ILE A 75 10.953 2.340 0.966 1.00 0.00 H new ATOM 0 HA ILE A 75 11.833 4.448 -0.950 1.00 0.00 H new ATOM 0 HB ILE A 75 9.187 3.748 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.629 4.642 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.218 3.054 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.335 5.921 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.535 6.095 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.997 6.431 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.896 2.921 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.962 2.448 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.364 4.061 -1.706 1.00 0.00 H new ATOM 1251 N PRO A 76 12.867 5.711 0.868 1.00 0.00 N ATOM 1252 CA PRO A 76 13.429 6.572 1.894 1.00 0.00 C ATOM 1253 C PRO A 76 12.604 7.851 2.049 1.00 0.00 C ATOM 1254 O PRO A 76 12.924 8.877 1.451 1.00 0.00 O ATOM 1255 CB PRO A 76 14.857 6.837 1.446 1.00 0.00 C ATOM 1256 CG PRO A 76 14.899 6.502 -0.036 1.00 0.00 C ATOM 1257 CD PRO A 76 13.636 5.725 -0.373 1.00 0.00 C ATOM 0 HA PRO A 76 13.414 6.113 2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 76 15.134 7.877 1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.562 6.222 2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.958 7.413 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.785 5.911 -0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.079 6.204 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.870 4.714 -0.705 1.00 0.00 H new ATOM 1265 N GLY A 77 11.558 7.748 2.856 1.00 0.00 N ATOM 1266 CA GLY A 77 10.685 8.884 3.098 1.00 0.00 C ATOM 1267 C GLY A 77 9.216 8.493 2.924 1.00 0.00 C ATOM 1268 O GLY A 77 8.435 9.242 2.339 1.00 0.00 O ATOM 0 H GLY A 77 11.296 6.895 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.847 9.263 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.934 9.692 2.410 1.00 0.00 H new ATOM 1272 N THR A 78 8.884 7.320 3.443 1.00 0.00 N ATOM 1273 CA THR A 78 7.523 6.820 3.353 1.00 0.00 C ATOM 1274 C THR A 78 6.769 7.086 4.658 1.00 0.00 C ATOM 1275 O THR A 78 7.101 6.517 5.697 1.00 0.00 O ATOM 1276 CB THR A 78 7.587 5.337 2.980 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.372 5.104 2.273 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.489 4.421 4.202 1.00 0.00 C ATOM 0 H THR A 78 9.534 6.701 3.927 1.00 0.00 H new ATOM 0 HA THR A 78 6.961 7.341 2.578 1.00 0.00 H new ATOM 0 HB THR A 78 8.518 5.136 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.072 5.938 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.539 3.380 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.314 4.632 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.543 4.598 4.714 1.00 0.00 H new ATOM 1286 N LYS A 79 5.770 7.950 4.561 1.00 0.00 N ATOM 1287 CA LYS A 79 4.967 8.298 5.721 1.00 0.00 C ATOM 1288 C LYS A 79 4.258 7.046 6.240 1.00 0.00 C ATOM 1289 O LYS A 79 3.740 7.038 7.355 1.00 0.00 O ATOM 1290 CB LYS A 79 4.015 9.449 5.388 1.00 0.00 C ATOM 1291 CG LYS A 79 3.558 10.168 6.659 1.00 0.00 C ATOM 1292 CD LYS A 79 4.354 11.455 6.878 1.00 0.00 C ATOM 1293 CE LYS A 79 4.398 11.827 8.362 1.00 0.00 C ATOM 1294 NZ LYS A 79 5.248 10.875 9.110 1.00 0.00 N ATOM 0 H LYS A 79 5.498 8.420 3.697 1.00 0.00 H new ATOM 0 HA LYS A 79 5.603 8.663 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.512 10.157 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.148 9.065 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.496 10.401 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.682 9.509 7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.369 11.328 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.902 12.268 6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.786 12.839 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.389 11.824 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.614 11.336 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.684 10.043 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.044 10.576 8.511 1.00 0.00 H new ATOM 1308 N MET A 80 4.258 6.016 5.406 1.00 0.00 N ATOM 1309 CA MET A 80 3.622 4.761 5.767 1.00 0.00 C ATOM 1310 C MET A 80 4.256 4.166 7.025 1.00 0.00 C ATOM 1311 O MET A 80 5.261 3.460 6.944 1.00 0.00 O ATOM 1312 CB MET A 80 3.756 3.769 4.609 1.00 0.00 C ATOM 1313 CG MET A 80 3.089 2.435 4.950 1.00 0.00 C ATOM 1314 SD MET A 80 2.642 1.575 3.452 1.00 0.00 S ATOM 1315 CE MET A 80 2.624 -0.106 4.052 1.00 0.00 C ATOM 0 H MET A 80 4.689 6.025 4.481 1.00 0.00 H new ATOM 0 HA MET A 80 2.569 4.955 5.971 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.301 4.188 3.712 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.810 3.606 4.385 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.767 1.821 5.543 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.201 2.608 5.558 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.176 -0.756 3.300 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.645 -0.432 4.252 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.040 -0.158 4.971 1.00 0.00 H new ATOM 1325 N ALA A 81 3.644 4.473 8.159 1.00 0.00 N ATOM 1326 CA ALA A 81 4.137 3.977 9.433 1.00 0.00 C ATOM 1327 C ALA A 81 3.569 2.579 9.686 1.00 0.00 C ATOM 1328 O ALA A 81 2.806 2.377 10.630 1.00 0.00 O ATOM 1329 CB ALA A 81 3.770 4.965 10.542 1.00 0.00 C ATOM 0 H ALA A 81 2.811 5.059 8.222 1.00 0.00 H new ATOM 0 HA ALA A 81 5.224 3.893 9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.140 4.593 11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.222 5.934 10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.686 5.073 10.589 1.00 0.00 H new ATOM 1335 N PHE A 82 3.962 1.651 8.827 1.00 0.00 N ATOM 1336 CA PHE A 82 3.501 0.278 8.945 1.00 0.00 C ATOM 1337 C PHE A 82 4.607 -0.627 9.491 1.00 0.00 C ATOM 1338 O PHE A 82 5.783 -0.429 9.187 1.00 0.00 O ATOM 1339 CB PHE A 82 3.123 -0.190 7.538 1.00 0.00 C ATOM 1340 CG PHE A 82 2.827 -1.688 7.439 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.773 -2.219 8.115 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.619 -2.488 6.676 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.499 -3.609 8.023 1.00 0.00 C ATOM 1344 CE2 PHE A 82 3.344 -3.879 6.584 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.290 -4.409 7.260 1.00 0.00 C ATOM 0 H PHE A 82 4.595 1.823 8.046 1.00 0.00 H new ATOM 0 HA PHE A 82 2.656 0.227 9.631 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.247 0.366 7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.935 0.055 6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.145 -1.584 8.722 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.457 -2.066 6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.662 -4.031 8.559 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.972 -4.515 5.977 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.081 -5.466 7.191 1.00 0.00 H new ATOM 1355 N GLY A 83 4.192 -1.600 10.288 1.00 0.00 N ATOM 1356 CA GLY A 83 5.134 -2.536 10.880 1.00 0.00 C ATOM 1357 C GLY A 83 5.563 -3.597 9.864 1.00 0.00 C ATOM 1358 O GLY A 83 4.807 -4.521 9.569 1.00 0.00 O ATOM 0 H GLY A 83 3.216 -1.761 10.538 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.010 -1.997 11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.678 -3.018 11.745 1.00 0.00 H new ATOM 1362 N GLY A 84 6.776 -3.429 9.358 1.00 0.00 N ATOM 1363 CA GLY A 84 7.315 -4.360 8.382 1.00 0.00 C ATOM 1364 C GLY A 84 7.004 -5.806 8.775 1.00 0.00 C ATOM 1365 O GLY A 84 7.515 -6.305 9.776 1.00 0.00 O ATOM 0 H GLY A 84 7.401 -2.662 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.893 -4.147 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.394 -4.225 8.302 1.00 0.00 H new ATOM 1369 N LEU A 85 6.168 -6.439 7.965 1.00 0.00 N ATOM 1370 CA LEU A 85 5.783 -7.818 8.215 1.00 0.00 C ATOM 1371 C LEU A 85 6.985 -8.731 7.968 1.00 0.00 C ATOM 1372 O LEU A 85 8.101 -8.254 7.765 1.00 0.00 O ATOM 1373 CB LEU A 85 4.550 -8.188 7.388 1.00 0.00 C ATOM 1374 CG LEU A 85 3.195 -7.884 8.032 1.00 0.00 C ATOM 1375 CD1 LEU A 85 2.081 -7.873 6.983 1.00 0.00 C ATOM 1376 CD2 LEU A 85 2.899 -8.859 9.173 1.00 0.00 C ATOM 0 H LEU A 85 5.746 -6.022 7.135 1.00 0.00 H new ATOM 0 HA LEU A 85 5.491 -7.949 9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.604 -7.661 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.593 -9.254 7.165 1.00 0.00 H new ATOM 0 HG LEU A 85 3.239 -6.885 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.129 -7.655 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.293 -7.108 6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.027 -8.848 6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.931 -8.621 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.881 -9.878 8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.674 -8.774 9.934 1.00 0.00 H new ATOM 1388 N LYS A 86 6.718 -10.028 7.994 1.00 0.00 N ATOM 1389 CA LYS A 86 7.764 -11.013 7.776 1.00 0.00 C ATOM 1390 C LYS A 86 7.126 -12.361 7.435 1.00 0.00 C ATOM 1391 O LYS A 86 7.486 -12.988 6.439 1.00 0.00 O ATOM 1392 CB LYS A 86 8.709 -11.066 8.978 1.00 0.00 C ATOM 1393 CG LYS A 86 10.118 -10.615 8.588 1.00 0.00 C ATOM 1394 CD LYS A 86 11.179 -11.417 9.343 1.00 0.00 C ATOM 1395 CE LYS A 86 12.018 -12.260 8.381 1.00 0.00 C ATOM 1396 NZ LYS A 86 12.434 -13.525 9.027 1.00 0.00 N ATOM 0 H LYS A 86 5.792 -10.420 8.163 1.00 0.00 H new ATOM 0 HA LYS A 86 8.384 -10.729 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.326 -10.428 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.745 -12.081 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.259 -10.739 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.237 -9.553 8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.827 -10.738 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.697 -12.066 10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.442 -12.477 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.898 -11.698 8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.003 -14.085 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.001 -13.313 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.591 -14.067 9.303 1.00 0.00 H new ATOM 1410 N LYS A 87 6.190 -12.768 8.279 1.00 0.00 N ATOM 1411 CA LYS A 87 5.499 -14.030 8.080 1.00 0.00 C ATOM 1412 C LYS A 87 4.898 -14.061 6.673 1.00 0.00 C ATOM 1413 O LYS A 87 3.762 -13.634 6.470 1.00 0.00 O ATOM 1414 CB LYS A 87 4.474 -14.261 9.192 1.00 0.00 C ATOM 1415 CG LYS A 87 5.146 -14.814 10.451 1.00 0.00 C ATOM 1416 CD LYS A 87 5.584 -16.266 10.245 1.00 0.00 C ATOM 1417 CE LYS A 87 5.019 -17.170 11.342 1.00 0.00 C ATOM 1418 NZ LYS A 87 3.617 -17.537 11.039 1.00 0.00 N ATOM 0 H LYS A 87 5.894 -12.245 9.103 1.00 0.00 H new ATOM 0 HA LYS A 87 6.199 -14.862 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.969 -13.324 9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.709 -14.957 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.011 -14.202 10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.456 -14.754 11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.246 -16.617 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.672 -16.325 10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.627 -18.071 11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.068 -16.659 12.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.248 -18.151 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.038 -16.675 10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.579 -18.043 10.131 1.00 0.00 H new ATOM 1432 N GLU A 88 5.687 -14.570 5.738 1.00 0.00 N ATOM 1433 CA GLU A 88 5.247 -14.662 4.357 1.00 0.00 C ATOM 1434 C GLU A 88 3.811 -15.187 4.291 1.00 0.00 C ATOM 1435 O GLU A 88 3.081 -14.893 3.345 1.00 0.00 O ATOM 1436 CB GLU A 88 6.191 -15.544 3.538 1.00 0.00 C ATOM 1437 CG GLU A 88 7.422 -14.756 3.085 1.00 0.00 C ATOM 1438 CD GLU A 88 8.684 -15.255 3.792 1.00 0.00 C ATOM 1439 OE1 GLU A 88 9.123 -16.373 3.447 1.00 0.00 O ATOM 1440 OE2 GLU A 88 9.180 -14.507 4.662 1.00 0.00 O ATOM 0 H GLU A 88 6.628 -14.923 5.910 1.00 0.00 H new ATOM 0 HA GLU A 88 5.268 -13.663 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.503 -16.401 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.665 -15.936 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.543 -14.853 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.278 -13.696 3.296 1.00 0.00 H new ATOM 1447 N LYS A 89 3.449 -15.956 5.307 1.00 0.00 N ATOM 1448 CA LYS A 89 2.114 -16.525 5.377 1.00 0.00 C ATOM 1449 C LYS A 89 1.082 -15.430 5.095 1.00 0.00 C ATOM 1450 O LYS A 89 0.432 -15.439 4.051 1.00 0.00 O ATOM 1451 CB LYS A 89 1.904 -17.238 6.714 1.00 0.00 C ATOM 1452 CG LYS A 89 3.101 -18.127 7.055 1.00 0.00 C ATOM 1453 CD LYS A 89 2.655 -19.563 7.336 1.00 0.00 C ATOM 1454 CE LYS A 89 2.931 -20.468 6.134 1.00 0.00 C ATOM 1455 NZ LYS A 89 1.682 -20.731 5.385 1.00 0.00 N ATOM 0 H LYS A 89 4.057 -16.199 6.089 1.00 0.00 H new ATOM 0 HA LYS A 89 1.986 -17.290 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.757 -16.501 7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.998 -17.843 6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.812 -18.118 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.620 -17.726 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.179 -19.946 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.591 -19.578 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.663 -19.998 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.364 -21.409 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.888 -21.347 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.995 -21.200 6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.285 -19.832 5.046 1.00 0.00 H new ATOM 1469 N ASP A 90 0.965 -14.514 6.044 1.00 0.00 N ATOM 1470 CA ASP A 90 0.023 -13.415 5.911 1.00 0.00 C ATOM 1471 C ASP A 90 0.339 -12.630 4.636 1.00 0.00 C ATOM 1472 O ASP A 90 -0.553 -12.356 3.835 1.00 0.00 O ATOM 1473 CB ASP A 90 0.128 -12.453 7.096 1.00 0.00 C ATOM 1474 CG ASP A 90 -0.933 -12.646 8.182 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -1.911 -13.370 7.896 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -0.742 -12.065 9.272 1.00 0.00 O ATOM 0 H ASP A 90 1.506 -14.510 6.908 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.982 -13.835 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.114 -12.564 7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.062 -11.431 6.722 1.00 0.00 H new ATOM 1481 N ARG A 91 1.611 -12.291 4.488 1.00 0.00 N ATOM 1482 CA ARG A 91 2.056 -11.543 3.325 1.00 0.00 C ATOM 1483 C ARG A 91 1.427 -12.116 2.053 1.00 0.00 C ATOM 1484 O ARG A 91 1.008 -11.367 1.172 1.00 0.00 O ATOM 1485 CB ARG A 91 3.580 -11.582 3.194 1.00 0.00 C ATOM 1486 CG ARG A 91 4.253 -11.090 4.476 1.00 0.00 C ATOM 1487 CD ARG A 91 5.735 -10.792 4.238 1.00 0.00 C ATOM 1488 NE ARG A 91 5.880 -9.753 3.193 1.00 0.00 N ATOM 1489 CZ ARG A 91 6.981 -9.587 2.447 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.039 -10.390 2.626 1.00 0.00 N ATOM 1491 NH2 ARG A 91 7.023 -8.618 1.522 1.00 0.00 N ATOM 0 H ARG A 91 2.348 -12.521 5.155 1.00 0.00 H new ATOM 0 HA ARG A 91 1.741 -10.508 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.904 -12.600 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.892 -10.962 2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.750 -10.191 4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.151 -11.844 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.200 -10.455 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.253 -11.701 3.933 1.00 0.00 H new ATOM 0 HE ARG A 91 5.093 -9.125 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.006 -11.127 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.877 -10.264 2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.217 -8.007 1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.861 -8.491 0.954 1.00 0.00 H new ATOM 1505 N ASN A 92 1.380 -13.439 1.999 1.00 0.00 N ATOM 1506 CA ASN A 92 0.809 -14.121 0.850 1.00 0.00 C ATOM 1507 C ASN A 92 -0.712 -13.966 0.875 1.00 0.00 C ATOM 1508 O ASN A 92 -1.294 -13.363 -0.025 1.00 0.00 O ATOM 1509 CB ASN A 92 1.133 -15.616 0.880 1.00 0.00 C ATOM 1510 CG ASN A 92 2.603 -15.866 0.537 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.156 -15.300 -0.392 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.204 -16.742 1.337 1.00 0.00 N ATOM 0 H ASN A 92 1.728 -14.057 2.732 1.00 0.00 H new ATOM 0 HA ASN A 92 1.234 -13.678 -0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.913 -16.020 1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.496 -16.144 0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.186 -16.976 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.683 -17.180 2.097 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.315 -14.523 1.916 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.758 -14.454 2.070 1.00 0.00 C ATOM 1521 C ASP A 93 -3.239 -13.048 1.706 1.00 0.00 C ATOM 1522 O ASP A 93 -4.188 -12.893 0.938 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.171 -14.735 3.516 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.833 -16.138 4.024 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -3.233 -17.103 3.337 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.182 -16.215 5.088 1.00 0.00 O ATOM 0 H ASP A 93 -0.830 -15.024 2.661 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.203 -15.203 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.688 -14.004 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.246 -14.581 3.607 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.563 -12.060 2.273 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.910 -10.673 2.017 1.00 0.00 C ATOM 1533 C LEU A 94 -2.856 -10.407 0.511 1.00 0.00 C ATOM 1534 O LEU A 94 -3.890 -10.207 -0.125 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.019 -9.738 2.838 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.584 -8.343 3.112 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -4.036 -8.422 3.589 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -1.699 -7.576 4.097 1.00 0.00 C ATOM 0 H LEU A 94 -1.777 -12.193 2.909 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.931 -10.470 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.807 -10.217 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.067 -9.627 2.319 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.583 -7.785 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.413 -7.416 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.645 -8.901 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.086 -9.005 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.123 -6.588 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.645 -8.122 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.697 -7.471 3.681 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.641 -10.414 -0.016 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.439 -10.177 -1.435 1.00 0.00 C ATOM 1552 C ILE A 95 -2.541 -10.884 -2.228 1.00 0.00 C ATOM 1553 O ILE A 95 -3.189 -10.273 -3.077 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.024 -10.584 -1.851 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.025 -9.730 -1.137 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.136 -10.536 -3.372 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.314 -10.521 -0.909 1.00 0.00 C ATOM 0 H ILE A 95 -0.786 -10.580 0.514 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.518 -9.113 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 95 0.138 -11.617 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.240 -8.841 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.630 -9.388 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.151 -10.830 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.575 -11.221 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.054 -9.523 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.043 -9.890 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.100 -11.396 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.719 -10.841 -1.869 1.00 0.00 H new ATOM 1569 N THR A 96 -2.719 -12.161 -1.923 1.00 0.00 N ATOM 1570 CA THR A 96 -3.731 -12.957 -2.596 1.00 0.00 C ATOM 1571 C THR A 96 -5.046 -12.182 -2.686 1.00 0.00 C ATOM 1572 O THR A 96 -5.642 -12.085 -3.758 1.00 0.00 O ATOM 1573 CB THR A 96 -3.859 -14.287 -1.850 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.234 -15.231 -2.715 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.308 -14.768 -1.757 1.00 0.00 C ATOM 0 H THR A 96 -2.179 -12.664 -1.219 1.00 0.00 H new ATOM 0 HA THR A 96 -3.446 -13.171 -3.626 1.00 0.00 H new ATOM 0 HB THR A 96 -3.446 -14.182 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.882 -15.920 -2.970 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.343 -15.715 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.904 -14.026 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.711 -14.906 -2.760 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.462 -11.649 -1.546 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.696 -10.885 -1.484 1.00 0.00 C ATOM 1585 C TYR A 97 -6.503 -9.482 -2.062 1.00 0.00 C ATOM 1586 O TYR A 97 -7.308 -9.024 -2.872 1.00 0.00 O ATOM 1587 CB TYR A 97 -7.044 -10.767 0.002 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.037 -9.648 0.321 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -7.579 -8.374 0.588 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -9.391 -9.913 0.343 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -8.514 -7.321 0.889 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -10.326 -8.860 0.644 1.00 0.00 C ATOM 1593 CZ TYR A 97 -9.841 -7.616 0.902 1.00 0.00 C ATOM 1594 OH TYR A 97 -10.724 -6.621 1.186 1.00 0.00 O ATOM 0 H TYR A 97 -4.966 -11.731 -0.658 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.480 -11.376 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.459 -11.715 0.344 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.127 -10.598 0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.519 -8.167 0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.750 -10.910 0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -8.169 -6.320 1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.388 -9.054 0.664 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.637 -6.976 1.159 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.431 -8.838 -1.625 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.121 -7.497 -2.089 1.00 0.00 C ATOM 1606 C LEU A 98 -5.338 -7.423 -3.602 1.00 0.00 C ATOM 1607 O LEU A 98 -6.075 -6.566 -4.086 1.00 0.00 O ATOM 1608 CB LEU A 98 -3.714 -7.088 -1.649 1.00 0.00 C ATOM 1609 CG LEU A 98 -3.579 -5.685 -1.054 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -4.324 -4.655 -1.903 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.035 -5.663 0.406 1.00 0.00 C ATOM 0 H LEU A 98 -4.765 -9.221 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.795 -6.772 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.361 -7.809 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.050 -7.161 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.525 -5.409 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.212 -3.667 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.911 -4.648 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.382 -4.915 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.929 -4.654 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.080 -5.969 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.422 -6.350 0.989 1.00 0.00 H new ATOM 1623 N LYS A 99 -4.682 -8.333 -4.307 1.00 0.00 N ATOM 1624 CA LYS A 99 -4.793 -8.382 -5.755 1.00 0.00 C ATOM 1625 C LYS A 99 -6.269 -8.301 -6.151 1.00 0.00 C ATOM 1626 O LYS A 99 -6.627 -7.575 -7.077 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.076 -9.616 -6.306 1.00 0.00 C ATOM 1628 CG LYS A 99 -3.786 -9.460 -7.800 1.00 0.00 C ATOM 1629 CD LYS A 99 -4.706 -10.353 -8.634 1.00 0.00 C ATOM 1630 CE LYS A 99 -4.046 -10.733 -9.961 1.00 0.00 C ATOM 1631 NZ LYS A 99 -5.024 -11.393 -10.855 1.00 0.00 N ATOM 0 H LYS A 99 -4.071 -9.043 -3.902 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.293 -7.524 -6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.142 -9.770 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.690 -10.501 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.921 -8.419 -8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.746 -9.716 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.949 -11.255 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.645 -9.835 -8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.647 -9.841 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.204 -11.400 -9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.560 -11.645 -11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.385 -12.255 -10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.814 -10.744 -11.044 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.085 -9.056 -5.430 1.00 0.00 N ATOM 1646 CA LYS A 100 -8.513 -9.078 -5.695 1.00 0.00 C ATOM 1647 C LYS A 100 -9.131 -7.750 -5.252 1.00 0.00 C ATOM 1648 O LYS A 100 -9.861 -7.117 -6.013 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.160 -10.303 -5.046 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.614 -10.458 -5.495 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.016 -11.933 -5.553 1.00 0.00 C ATOM 1652 CE LYS A 100 -12.336 -12.113 -6.306 1.00 0.00 C ATOM 1653 NZ LYS A 100 -12.086 -12.291 -7.754 1.00 0.00 N ATOM 0 H LYS A 100 -6.784 -9.657 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.700 -9.176 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.597 -11.198 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.119 -10.208 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.270 -9.926 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.746 -10.003 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.231 -12.508 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.114 -12.327 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.870 -12.979 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.975 -11.245 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.992 -12.412 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.596 -11.453 -8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.494 -13.133 -7.903 1.00 0.00 H new ATOM 1667 N ALA A 101 -8.814 -7.367 -4.024 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.328 -6.126 -3.471 1.00 0.00 C ATOM 1669 C ALA A 101 -9.023 -4.978 -4.435 1.00 0.00 C ATOM 1670 O ALA A 101 -9.926 -4.247 -4.840 1.00 0.00 O ATOM 1671 CB ALA A 101 -8.727 -5.898 -2.083 1.00 0.00 C ATOM 0 H ALA A 101 -8.207 -7.895 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.410 -6.178 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.113 -4.967 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.998 -6.727 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.642 -5.838 -2.162 1.00 0.00 H new ATOM 1677 N SER A 102 -7.748 -4.856 -4.774 1.00 0.00 N ATOM 1678 CA SER A 102 -7.313 -3.809 -5.683 1.00 0.00 C ATOM 1679 C SER A 102 -7.745 -4.144 -7.112 1.00 0.00 C ATOM 1680 O SER A 102 -7.933 -3.247 -7.933 1.00 0.00 O ATOM 1681 CB SER A 102 -5.797 -3.618 -5.617 1.00 0.00 C ATOM 1682 OG SER A 102 -5.282 -3.022 -6.804 1.00 0.00 O ATOM 0 H SER A 102 -7.003 -5.464 -4.436 1.00 0.00 H new ATOM 0 HA SER A 102 -7.783 -2.874 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.547 -2.993 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.317 -4.583 -5.458 1.00 0.00 H new ATOM 0 HG SER A 102 -5.336 -2.046 -6.730 1.00 0.00 H new ATOM 1688 N GLU A 103 -7.889 -5.436 -7.365 1.00 0.00 N ATOM 1689 CA GLU A 103 -8.295 -5.900 -8.681 1.00 0.00 C ATOM 1690 C GLU A 103 -7.580 -5.099 -9.770 1.00 0.00 C ATOM 1691 O GLU A 103 -7.789 -5.336 -10.959 1.00 0.00 O ATOM 1692 CB GLU A 103 -9.813 -5.818 -8.847 1.00 0.00 C ATOM 1693 CG GLU A 103 -10.286 -4.362 -8.857 1.00 0.00 C ATOM 1694 CD GLU A 103 -11.791 -4.276 -9.117 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -12.509 -5.152 -8.587 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -12.190 -3.337 -9.839 1.00 0.00 O ATOM 0 H GLU A 103 -7.732 -6.176 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.008 -6.947 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.108 -6.306 -9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.301 -6.357 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.051 -3.893 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.748 -3.807 -9.625 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 0.098 1.821 3.486 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.374 4.227 1.472 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.355 -0.188 0.914 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.671 -0.579 5.710 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.039 4.114 6.020 1.00 0.00 C HETATM 1709 NA HEC A 104 0.441 2.034 1.637 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.956 3.033 0.903 1.00 0.00 C HETATM 1711 C2A HEC A 104 1.317 2.600 -0.468 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.798 1.378 -0.594 1.00 0.00 C HETATM 1713 C4A HEC A 104 0.284 0.955 0.633 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.879 0.476 -1.884 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.915 3.548 -1.467 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.990 4.802 -1.599 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.605 6.171 -1.355 1.00 0.00 C HETATM 1718 O1A HEC A 104 2.519 6.453 -2.138 1.00 0.00 O HETATM 1719 O2A HEC A 104 1.173 6.908 -0.442 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.430 -0.041 3.363 1.00 0.00 N HETATM 1721 C1B HEC A 104 -0.767 -0.646 2.158 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.189 -2.000 2.505 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.226 -2.166 3.851 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.793 -0.886 4.342 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.678 -3.010 1.404 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.668 -3.322 4.709 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.850 -4.608 4.506 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.281 1.828 5.522 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.576 0.752 6.304 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.888 0.995 7.657 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.663 2.321 7.759 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.374 2.857 6.430 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.261 0.026 8.737 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.985 3.328 8.906 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.298 2.927 10.232 1.00 0.00 C HETATM 1736 ND HEC A 104 0.567 3.821 3.732 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.442 4.614 4.867 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.888 5.901 4.594 1.00 0.00 C HETATM 1739 C3D HEC A 104 1.319 5.931 3.323 1.00 0.00 C HETATM 1740 C4D HEC A 104 1.187 4.578 2.789 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.968 7.108 5.636 1.00 0.00 C HETATM 1742 CAD HEC A 104 2.027 7.131 2.644 1.00 0.00 C HETATM 1743 CBD HEC A 104 3.449 6.820 2.240 1.00 0.00 C HETATM 1744 CGD HEC A 104 3.956 7.369 0.919 1.00 0.00 C HETATM 1745 O1D HEC A 104 5.161 7.139 0.628 1.00 0.00 O HETATM 1746 O2D HEC A 104 3.160 8.140 0.338 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.028 7.318 6.026 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.630 6.836 6.458 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.357 7.995 5.136 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.168 -0.506 8.451 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.451 -0.689 8.880 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.436 0.567 9.667 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.550 -2.599 0.895 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -0.879 -3.175 0.681 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -1.944 -3.958 1.872 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 0.401 0.990 -2.718 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.924 0.282 -2.128 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.368 -0.469 -1.700 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 4.107 7.188 3.028 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 3.558 5.736 2.214 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.644 1.939 10.537 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.782 2.905 10.090 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.547 3.654 11.005 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.932 -4.931 3.468 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.196 -4.415 4.745 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.233 -5.390 5.161 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.566 4.800 -2.603 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 0.160 4.680 -0.903 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 1.461 7.429 1.762 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 2.026 7.981 3.326 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.913 3.849 -1.149 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 2.023 3.057 -2.434 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.193 4.873 6.787 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.645 -1.423 6.399 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.578 -0.835 0.066 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.889 4.940 0.828 1.00 0.00 H new HETATM 0 H2D HEC A 104 3.638 8.643 -0.354 1.00 0.00 H new HETATM 0 H2A HEC A 104 1.702 7.733 -0.409 1.00 0.00 H new