USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.92! C(o=-3.9!,f=-8.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 79:sc= 0.339 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.115) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.22 K(o=-2.2,f=-4.2!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -5.23! C(o=-5.2!,f=-3.9!) USER MOD Single : A 28 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.6) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -144:sc= -0.156 (180deg=-2.47!) USER MOD Single : A 39 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 45 MET CE :methyl -162:sc= 0 (180deg=-0.586) USER MOD Single : A 46 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.7!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0673 USER MOD Single : A 50 ASN : amide:sc= -5.03! C(o=-5!,f=-4.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -123:sc= -1.42 USER MOD Single : A 54 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.042) USER MOD Single : A 55 GLN : amide:sc= -0.852 X(o=-0.85,f=-0.36) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -2.66 K(o=-2.7,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 75 ASN : amide:sc= -0.0994 X(o=-0.099,f=-0.59) USER MOD Single : A 76 THR OG1 : rot 73:sc= 0.263 USER MOD Single : A 79 ASN : amide:sc= -0.0162 X(o=-0.016,f=0.01) USER MOD Single : A 84 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.248) USER MOD Single : A 85 TYR OH : rot -138:sc= -4.89! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 -8.130 24.406 -8.368 1.00 0.00 N ATOM 2 CA LEU A 3 -9.173 24.480 -7.311 1.00 0.00 C ATOM 3 C LEU A 3 -9.568 23.088 -6.827 1.00 0.00 C ATOM 4 O LEU A 3 -10.345 22.390 -7.478 1.00 0.00 O ATOM 5 CB LEU A 3 -10.392 25.212 -7.880 1.00 0.00 C ATOM 6 CG LEU A 3 -10.962 26.311 -6.982 1.00 0.00 C ATOM 7 CD1 LEU A 3 -9.919 27.387 -6.724 1.00 0.00 C ATOM 8 CD2 LEU A 3 -12.209 26.916 -7.609 1.00 0.00 C ATOM 0 HA LEU A 3 -8.777 25.023 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.118 25.652 -8.839 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.176 24.481 -8.077 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.237 25.865 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.344 28.160 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.053 26.944 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.611 27.830 -7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.602 27.696 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.957 27.346 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.963 26.140 -7.741 1.00 0.00 H new ATOM 22 N LEU A 4 -9.022 22.696 -5.676 1.00 0.00 N ATOM 23 CA LEU A 4 -9.299 21.390 -5.075 1.00 0.00 C ATOM 24 C LEU A 4 -8.455 20.281 -5.706 1.00 0.00 C ATOM 25 O LEU A 4 -8.366 19.183 -5.161 1.00 0.00 O ATOM 26 CB LEU A 4 -10.786 21.036 -5.171 1.00 0.00 C ATOM 27 CG LEU A 4 -11.749 22.157 -4.768 1.00 0.00 C ATOM 28 CD1 LEU A 4 -13.180 21.789 -5.127 1.00 0.00 C ATOM 29 CD2 LEU A 4 -11.629 22.451 -3.281 1.00 0.00 C ATOM 0 H LEU A 4 -8.377 23.272 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.026 21.466 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.007 20.739 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.978 20.169 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.480 23.057 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.849 22.598 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.256 21.629 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.463 20.876 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.320 23.250 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.872 21.554 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.609 22.761 -3.052 1.00 0.00 H new ATOM 41 N LYS A 5 -7.824 20.565 -6.842 1.00 0.00 N ATOM 42 CA LYS A 5 -6.983 19.572 -7.502 1.00 0.00 C ATOM 43 C LYS A 5 -5.793 19.211 -6.616 1.00 0.00 C ATOM 44 O LYS A 5 -5.157 18.176 -6.802 1.00 0.00 O ATOM 45 CB LYS A 5 -6.489 20.099 -8.851 1.00 0.00 C ATOM 46 CG LYS A 5 -7.609 20.483 -9.804 1.00 0.00 C ATOM 47 CD LYS A 5 -7.365 21.846 -10.434 1.00 0.00 C ATOM 48 CE LYS A 5 -6.253 21.788 -11.469 1.00 0.00 C ATOM 49 NZ LYS A 5 -6.528 22.678 -12.631 1.00 0.00 N ATOM 0 H LYS A 5 -7.878 21.464 -7.320 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.580 18.676 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.854 20.969 -8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.867 19.338 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.696 19.730 -10.587 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.557 20.494 -9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.283 22.201 -10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.105 22.566 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.310 22.078 -11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.135 20.762 -11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.746 22.609 -13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.415 22.386 -13.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.615 23.661 -12.302 1.00 0.00 H new ATOM 63 N ALA A 6 -5.502 20.082 -5.653 1.00 0.00 N ATOM 64 CA ALA A 6 -4.391 19.869 -4.733 1.00 0.00 C ATOM 65 C ALA A 6 -4.581 18.596 -3.916 1.00 0.00 C ATOM 66 O ALA A 6 -3.654 17.798 -3.774 1.00 0.00 O ATOM 67 CB ALA A 6 -4.230 21.072 -3.815 1.00 0.00 C ATOM 0 H ALA A 6 -6.023 20.944 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.483 19.751 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.397 20.900 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.032 21.962 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.145 21.217 -3.241 1.00 0.00 H new ATOM 73 N ASN A 7 -5.785 18.401 -3.387 1.00 0.00 N ATOM 74 CA ASN A 7 -6.074 17.210 -2.596 1.00 0.00 C ATOM 75 C ASN A 7 -5.993 15.965 -3.470 1.00 0.00 C ATOM 76 O ASN A 7 -5.306 14.997 -3.132 1.00 0.00 O ATOM 77 CB ASN A 7 -7.454 17.310 -1.938 1.00 0.00 C ATOM 78 CG ASN A 7 -8.522 17.815 -2.885 1.00 0.00 C ATOM 79 OD1 ASN A 7 -8.886 17.140 -3.847 1.00 0.00 O ATOM 80 ND2 ASN A 7 -9.033 19.009 -2.612 1.00 0.00 N ATOM 0 H ASN A 7 -6.569 19.045 -3.490 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.327 17.136 -1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.744 16.329 -1.561 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.393 17.976 -1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.759 19.402 -3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.700 19.533 -1.803 1.00 0.00 H new ATOM 87 N LYS A 8 -6.691 15.996 -4.602 1.00 0.00 N ATOM 88 CA LYS A 8 -6.688 14.873 -5.528 1.00 0.00 C ATOM 89 C LYS A 8 -5.278 14.602 -6.038 1.00 0.00 C ATOM 90 O LYS A 8 -4.910 13.455 -6.294 1.00 0.00 O ATOM 91 CB LYS A 8 -7.626 15.154 -6.704 1.00 0.00 C ATOM 92 CG LYS A 8 -8.437 13.943 -7.137 1.00 0.00 C ATOM 93 CD LYS A 8 -9.840 13.974 -6.552 1.00 0.00 C ATOM 94 CE LYS A 8 -10.749 14.910 -7.331 1.00 0.00 C ATOM 95 NZ LYS A 8 -11.667 15.667 -6.435 1.00 0.00 N ATOM 0 H LYS A 8 -7.264 16.786 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.041 13.989 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.308 15.959 -6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.038 15.509 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.496 13.913 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.930 13.032 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.260 12.968 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.794 14.293 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.142 15.611 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.335 14.334 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.270 16.294 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.264 15.000 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.109 16.237 -5.767 1.00 0.00 H new ATOM 109 N ASP A 9 -4.487 15.664 -6.176 1.00 0.00 N ATOM 110 CA ASP A 9 -3.116 15.529 -6.646 1.00 0.00 C ATOM 111 C ASP A 9 -2.290 14.761 -5.627 1.00 0.00 C ATOM 112 O ASP A 9 -1.497 13.891 -5.983 1.00 0.00 O ATOM 113 CB ASP A 9 -2.494 16.902 -6.906 1.00 0.00 C ATOM 114 CG ASP A 9 -1.188 16.810 -7.670 1.00 0.00 C ATOM 115 OD1 ASP A 9 -0.137 16.603 -7.028 1.00 0.00 O ATOM 116 OD2 ASP A 9 -1.216 16.946 -8.912 1.00 0.00 O ATOM 0 H ASP A 9 -4.773 16.621 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.125 14.976 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.198 17.516 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.321 17.405 -5.955 1.00 0.00 H new ATOM 121 N LEU A 10 -2.496 15.077 -4.352 1.00 0.00 N ATOM 122 CA LEU A 10 -1.780 14.400 -3.282 1.00 0.00 C ATOM 123 C LEU A 10 -2.102 12.912 -3.307 1.00 0.00 C ATOM 124 O LEU A 10 -1.204 12.065 -3.239 1.00 0.00 O ATOM 125 CB LEU A 10 -2.160 14.997 -1.925 1.00 0.00 C ATOM 126 CG LEU A 10 -1.441 14.383 -0.725 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.056 14.635 -0.815 1.00 0.00 C ATOM 128 CD2 LEU A 10 -2.002 14.942 0.573 1.00 0.00 C ATOM 0 H LEU A 10 -3.150 15.794 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.709 14.537 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.953 16.067 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.235 14.883 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.608 13.306 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.552 14.191 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.446 14.187 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.244 15.709 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.479 14.494 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.865 16.023 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.065 14.710 0.640 1.00 0.00 H new ATOM 140 N ILE A 11 -3.388 12.593 -3.437 1.00 0.00 N ATOM 141 CA ILE A 11 -3.808 11.203 -3.498 1.00 0.00 C ATOM 142 C ILE A 11 -3.184 10.534 -4.714 1.00 0.00 C ATOM 143 O ILE A 11 -2.520 9.504 -4.592 1.00 0.00 O ATOM 144 CB ILE A 11 -5.342 11.076 -3.574 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.998 11.865 -2.441 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.757 9.614 -3.517 1.00 0.00 C ATOM 147 CD1 ILE A 11 -7.326 12.482 -2.824 1.00 0.00 C ATOM 0 H ILE A 11 -4.146 13.272 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.473 10.711 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.678 11.492 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.146 11.204 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.319 12.655 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.843 9.542 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.315 9.077 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.411 9.174 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.733 13.026 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.181 13.169 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.021 11.696 -3.118 1.00 0.00 H new ATOM 159 N SER A 12 -3.391 11.127 -5.889 1.00 0.00 N ATOM 160 CA SER A 12 -2.838 10.589 -7.125 1.00 0.00 C ATOM 161 C SER A 12 -1.332 10.403 -7.006 1.00 0.00 C ATOM 162 O SER A 12 -0.765 9.491 -7.597 1.00 0.00 O ATOM 163 CB SER A 12 -3.160 11.513 -8.300 1.00 0.00 C ATOM 164 OG SER A 12 -4.555 11.549 -8.553 1.00 0.00 O ATOM 0 H SER A 12 -3.938 11.980 -6.008 1.00 0.00 H new ATOM 0 HA SER A 12 -3.294 9.616 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.800 12.519 -8.085 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.634 11.170 -9.191 1.00 0.00 H new ATOM 0 HG SER A 12 -4.989 12.147 -7.910 1.00 0.00 H new ATOM 170 N ALA A 13 -0.687 11.280 -6.246 1.00 0.00 N ATOM 171 CA ALA A 13 0.757 11.200 -6.062 1.00 0.00 C ATOM 172 C ALA A 13 1.131 9.946 -5.285 1.00 0.00 C ATOM 173 O ALA A 13 2.075 9.243 -5.644 1.00 0.00 O ATOM 174 CB ALA A 13 1.285 12.449 -5.371 1.00 0.00 C ATOM 0 H ALA A 13 -1.137 12.050 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 13 1.224 11.140 -7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.364 12.366 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.057 13.325 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.812 12.552 -4.394 1.00 0.00 H new ATOM 180 N GLY A 14 0.347 9.634 -4.260 1.00 0.00 N ATOM 181 CA GLY A 14 0.593 8.415 -3.506 1.00 0.00 C ATOM 182 C GLY A 14 0.236 7.220 -4.362 1.00 0.00 C ATOM 183 O GLY A 14 0.922 6.198 -4.367 1.00 0.00 O ATOM 0 H GLY A 14 -0.444 10.193 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.640 8.363 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.000 8.413 -2.592 1.00 0.00 H new ATOM 187 N LEU A 15 -0.849 7.393 -5.106 1.00 0.00 N ATOM 188 CA LEU A 15 -1.337 6.368 -6.014 1.00 0.00 C ATOM 189 C LEU A 15 -0.244 6.000 -7.011 1.00 0.00 C ATOM 190 O LEU A 15 0.193 4.854 -7.070 1.00 0.00 O ATOM 191 CB LEU A 15 -2.594 6.843 -6.745 1.00 0.00 C ATOM 192 CG LEU A 15 -3.908 6.276 -6.206 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.928 4.761 -6.338 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.110 6.688 -4.755 1.00 0.00 C ATOM 0 H LEU A 15 -1.412 8.244 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.601 5.483 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.637 7.931 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.506 6.577 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.728 6.684 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.870 4.374 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.828 4.486 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.100 4.335 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.050 6.276 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.286 6.308 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.139 7.775 -4.686 1.00 0.00 H new ATOM 206 N LYS A 16 0.193 6.982 -7.790 1.00 0.00 N ATOM 207 CA LYS A 16 1.238 6.765 -8.782 1.00 0.00 C ATOM 208 C LYS A 16 2.513 6.261 -8.116 1.00 0.00 C ATOM 209 O LYS A 16 3.282 5.506 -8.711 1.00 0.00 O ATOM 210 CB LYS A 16 1.524 8.059 -9.547 1.00 0.00 C ATOM 211 CG LYS A 16 1.995 7.834 -10.975 1.00 0.00 C ATOM 212 CD LYS A 16 1.012 6.980 -11.761 1.00 0.00 C ATOM 213 CE LYS A 16 0.555 7.677 -13.034 1.00 0.00 C ATOM 214 NZ LYS A 16 -0.215 8.918 -12.744 1.00 0.00 N ATOM 0 H LYS A 16 -0.161 7.938 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 16 0.889 6.009 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.620 8.668 -9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.282 8.628 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.121 8.795 -11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.971 7.350 -10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.478 6.028 -12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.146 6.755 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.424 7.924 -13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.062 6.995 -13.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.772 9.184 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.855 8.750 -11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.443 9.688 -12.507 1.00 0.00 H new ATOM 228 N GLU A 17 2.725 6.677 -6.873 1.00 0.00 N ATOM 229 CA GLU A 17 3.902 6.262 -6.122 1.00 0.00 C ATOM 230 C GLU A 17 3.832 4.778 -5.784 1.00 0.00 C ATOM 231 O GLU A 17 4.804 4.041 -5.961 1.00 0.00 O ATOM 232 CB GLU A 17 4.037 7.084 -4.837 1.00 0.00 C ATOM 233 CG GLU A 17 5.168 8.100 -4.880 1.00 0.00 C ATOM 234 CD GLU A 17 4.800 9.354 -5.647 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.624 9.266 -6.881 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.688 10.425 -5.015 1.00 0.00 O ATOM 0 H GLU A 17 2.098 7.301 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 17 4.778 6.436 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.098 7.605 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.199 6.407 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.446 8.371 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.044 7.643 -5.339 1.00 0.00 H new ATOM 243 N PHE A 18 2.673 4.344 -5.304 1.00 0.00 N ATOM 244 CA PHE A 18 2.476 2.946 -4.945 1.00 0.00 C ATOM 245 C PHE A 18 2.362 2.079 -6.194 1.00 0.00 C ATOM 246 O PHE A 18 2.858 0.952 -6.228 1.00 0.00 O ATOM 247 CB PHE A 18 1.227 2.785 -4.071 1.00 0.00 C ATOM 248 CG PHE A 18 1.210 1.525 -3.243 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.378 0.815 -2.990 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.019 1.049 -2.717 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.353 -0.340 -2.231 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.010 -0.106 -1.958 1.00 0.00 C ATOM 253 CZ PHE A 18 1.158 -0.800 -1.714 1.00 0.00 C ATOM 0 H PHE A 18 1.858 4.938 -5.155 1.00 0.00 H new ATOM 0 HA PHE A 18 3.344 2.617 -4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.150 3.645 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.345 2.797 -4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.316 1.170 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.898 1.588 -2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.268 -0.882 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.946 -0.465 -1.556 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.137 -1.701 -1.120 1.00 0.00 H new ATOM 263 N SER A 19 1.710 2.615 -7.218 1.00 0.00 N ATOM 264 CA SER A 19 1.533 1.894 -8.472 1.00 0.00 C ATOM 265 C SER A 19 2.882 1.617 -9.123 1.00 0.00 C ATOM 266 O SER A 19 3.188 0.480 -9.479 1.00 0.00 O ATOM 267 CB SER A 19 0.642 2.692 -9.427 1.00 0.00 C ATOM 268 OG SER A 19 -0.311 1.853 -10.059 1.00 0.00 O ATOM 0 H SER A 19 1.295 3.547 -7.205 1.00 0.00 H new ATOM 0 HA SER A 19 1.048 0.942 -8.254 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.128 3.480 -8.877 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.259 3.180 -10.182 1.00 0.00 H new ATOM 0 HG SER A 19 -0.868 2.388 -10.662 1.00 0.00 H new ATOM 274 N VAL A 20 3.690 2.662 -9.269 1.00 0.00 N ATOM 275 CA VAL A 20 5.010 2.522 -9.866 1.00 0.00 C ATOM 276 C VAL A 20 5.898 1.649 -8.989 1.00 0.00 C ATOM 277 O VAL A 20 6.691 0.850 -9.487 1.00 0.00 O ATOM 278 CB VAL A 20 5.686 3.892 -10.074 1.00 0.00 C ATOM 279 CG1 VAL A 20 7.028 3.730 -10.772 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.779 4.820 -10.866 1.00 0.00 C ATOM 0 H VAL A 20 3.453 3.612 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 20 4.879 2.051 -10.840 1.00 0.00 H new ATOM 0 HB VAL A 20 5.863 4.338 -9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.488 4.709 -10.909 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.681 3.104 -10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.878 3.261 -11.744 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.273 5.782 -11.003 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.568 4.379 -11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.845 4.966 -10.324 1.00 0.00 H new ATOM 290 N LEU A 21 5.753 1.803 -7.678 1.00 0.00 N ATOM 291 CA LEU A 21 6.532 1.023 -6.727 1.00 0.00 C ATOM 292 C LEU A 21 6.153 -0.453 -6.808 1.00 0.00 C ATOM 293 O LEU A 21 7.013 -1.331 -6.750 1.00 0.00 O ATOM 294 CB LEU A 21 6.311 1.552 -5.307 1.00 0.00 C ATOM 295 CG LEU A 21 6.917 0.705 -4.182 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.349 0.311 -4.515 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.863 1.460 -2.860 1.00 0.00 C ATOM 0 H LEU A 21 5.102 2.462 -7.250 1.00 0.00 H new ATOM 0 HA LEU A 21 7.588 1.121 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.727 2.558 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.238 1.639 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 21 6.328 -0.207 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.759 -0.289 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.362 -0.269 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.953 1.209 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.297 0.845 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.427 2.388 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.826 1.688 -2.613 1.00 0.00 H new ATOM 309 N LEU A 22 4.856 -0.717 -6.938 1.00 0.00 N ATOM 310 CA LEU A 22 4.358 -2.085 -7.024 1.00 0.00 C ATOM 311 C LEU A 22 4.698 -2.711 -8.377 1.00 0.00 C ATOM 312 O LEU A 22 5.215 -3.825 -8.444 1.00 0.00 O ATOM 313 CB LEU A 22 2.843 -2.116 -6.813 1.00 0.00 C ATOM 314 CG LEU A 22 2.366 -1.655 -5.436 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.010 -0.971 -5.537 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.297 -2.838 -4.484 1.00 0.00 C ATOM 0 H LEU A 22 4.131 -0.001 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 22 4.844 -2.665 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.374 -1.488 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.490 -3.134 -6.980 1.00 0.00 H new ATOM 0 HG LEU A 22 3.082 -0.932 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.689 -0.651 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.088 -0.103 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.280 -1.669 -5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.956 -2.499 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.599 -3.579 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.286 -3.286 -4.388 1.00 0.00 H new ATOM 328 N ASN A 23 4.395 -1.991 -9.454 1.00 0.00 N ATOM 329 CA ASN A 23 4.658 -2.483 -10.806 1.00 0.00 C ATOM 330 C ASN A 23 6.154 -2.698 -11.044 1.00 0.00 C ATOM 331 O ASN A 23 6.545 -3.468 -11.920 1.00 0.00 O ATOM 332 CB ASN A 23 4.074 -1.520 -11.851 1.00 0.00 C ATOM 333 CG ASN A 23 5.096 -0.541 -12.406 1.00 0.00 C ATOM 334 OD1 ASN A 23 5.767 0.167 -11.656 1.00 0.00 O ATOM 335 ND2 ASN A 23 5.219 -0.499 -13.729 1.00 0.00 N ATOM 0 H ASN A 23 3.968 -1.066 -9.418 1.00 0.00 H new ATOM 0 HA ASN A 23 4.167 -3.450 -10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.653 -2.099 -12.673 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.253 -0.961 -11.401 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.890 0.138 -14.159 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.643 -1.104 -14.314 1.00 0.00 H new ATOM 342 N GLN A 24 6.984 -2.017 -10.258 1.00 0.00 N ATOM 343 CA GLN A 24 8.433 -2.143 -10.393 1.00 0.00 C ATOM 344 C GLN A 24 8.949 -3.395 -9.682 1.00 0.00 C ATOM 345 O GLN A 24 10.157 -3.622 -9.610 1.00 0.00 O ATOM 346 CB GLN A 24 9.130 -0.904 -9.825 1.00 0.00 C ATOM 347 CG GLN A 24 9.124 0.286 -10.770 1.00 0.00 C ATOM 348 CD GLN A 24 10.490 0.566 -11.364 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.199 1.470 -10.922 1.00 0.00 O ATOM 350 NE2 GLN A 24 10.868 -0.213 -12.371 1.00 0.00 N ATOM 0 H GLN A 24 6.681 -1.376 -9.525 1.00 0.00 H new ATOM 0 HA GLN A 24 8.661 -2.231 -11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.643 -0.619 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.162 -1.158 -9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.413 0.102 -11.575 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.777 1.169 -10.234 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.248 -0.951 -12.706 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.778 -0.074 -12.810 1.00 0.00 H new ATOM 359 N GLN A 25 8.032 -4.202 -9.154 1.00 0.00 N ATOM 360 CA GLN A 25 8.403 -5.420 -8.446 1.00 0.00 C ATOM 361 C GLN A 25 8.547 -6.601 -9.402 1.00 0.00 C ATOM 362 O GLN A 25 7.646 -6.888 -10.191 1.00 0.00 O ATOM 363 CB GLN A 25 7.355 -5.743 -7.376 1.00 0.00 C ATOM 364 CG GLN A 25 6.083 -6.365 -7.936 1.00 0.00 C ATOM 365 CD GLN A 25 4.868 -6.109 -7.067 1.00 0.00 C ATOM 366 OE1 GLN A 25 3.764 -5.901 -7.569 1.00 0.00 O ATOM 367 NE2 GLN A 25 5.065 -6.124 -5.755 1.00 0.00 N ATOM 0 H GLN A 25 7.027 -4.033 -9.204 1.00 0.00 H new ATOM 0 HA GLN A 25 9.370 -5.250 -7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.792 -6.424 -6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.098 -4.827 -6.843 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.899 -5.968 -8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.227 -7.440 -8.043 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.997 -6.301 -5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.284 -5.959 -5.120 1.00 0.00 H new ATOM 376 N VAL A 26 9.674 -7.294 -9.306 1.00 0.00 N ATOM 377 CA VAL A 26 9.930 -8.462 -10.140 1.00 0.00 C ATOM 378 C VAL A 26 10.597 -9.555 -9.319 1.00 0.00 C ATOM 379 O VAL A 26 11.803 -9.512 -9.074 1.00 0.00 O ATOM 380 CB VAL A 26 10.830 -8.115 -11.342 1.00 0.00 C ATOM 381 CG1 VAL A 26 10.052 -7.327 -12.384 1.00 0.00 C ATOM 382 CG2 VAL A 26 12.059 -7.342 -10.886 1.00 0.00 C ATOM 0 H VAL A 26 10.428 -7.067 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 26 8.969 -8.811 -10.517 1.00 0.00 H new ATOM 0 HB VAL A 26 11.165 -9.046 -11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.705 -7.092 -13.224 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.209 -7.922 -12.735 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.684 -6.402 -11.940 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.682 -7.106 -11.749 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.748 -6.417 -10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.629 -7.948 -10.182 1.00 0.00 H new ATOM 392 N PHE A 27 9.804 -10.522 -8.870 1.00 0.00 N ATOM 393 CA PHE A 27 10.317 -11.610 -8.048 1.00 0.00 C ATOM 394 C PHE A 27 11.151 -12.599 -8.857 1.00 0.00 C ATOM 395 O PHE A 27 11.006 -12.715 -10.074 1.00 0.00 O ATOM 396 CB PHE A 27 9.164 -12.336 -7.354 1.00 0.00 C ATOM 397 CG PHE A 27 8.139 -11.408 -6.765 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.529 -10.282 -6.058 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.787 -11.662 -6.921 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.590 -9.426 -5.519 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.842 -10.809 -6.383 1.00 0.00 C ATOM 402 CZ PHE A 27 6.244 -9.690 -5.682 1.00 0.00 C ATOM 0 H PHE A 27 8.804 -10.574 -9.062 1.00 0.00 H new ATOM 0 HA PHE A 27 10.973 -11.169 -7.297 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.676 -12.995 -8.072 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.567 -12.969 -6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.580 -10.072 -5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.467 -12.536 -7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.907 -8.551 -4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.790 -11.018 -6.511 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.507 -9.022 -5.262 1.00 0.00 H new ATOM 412 N ASN A 28 12.030 -13.299 -8.148 1.00 0.00 N ATOM 413 CA ASN A 28 12.927 -14.290 -8.737 1.00 0.00 C ATOM 414 C ASN A 28 14.031 -14.595 -7.734 1.00 0.00 C ATOM 415 O ASN A 28 14.151 -15.714 -7.234 1.00 0.00 O ATOM 416 CB ASN A 28 13.531 -13.775 -10.048 1.00 0.00 C ATOM 417 CG ASN A 28 12.844 -14.357 -11.268 1.00 0.00 C ATOM 418 OD1 ASN A 28 12.641 -15.567 -11.363 1.00 0.00 O ATOM 419 ND2 ASN A 28 12.484 -13.495 -12.211 1.00 0.00 N ATOM 0 H ASN A 28 12.142 -13.195 -7.140 1.00 0.00 H new ATOM 0 HA ASN A 28 12.365 -15.195 -8.967 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.457 -12.688 -10.077 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.592 -14.023 -10.079 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.019 -13.828 -13.056 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.672 -12.500 -12.091 1.00 0.00 H new ATOM 426 N ASP A 29 14.808 -13.566 -7.423 1.00 0.00 N ATOM 427 CA ASP A 29 15.882 -13.686 -6.450 1.00 0.00 C ATOM 428 C ASP A 29 15.290 -13.579 -5.047 1.00 0.00 C ATOM 429 O ASP A 29 14.579 -12.619 -4.747 1.00 0.00 O ATOM 430 CB ASP A 29 16.936 -12.595 -6.670 1.00 0.00 C ATOM 431 CG ASP A 29 18.135 -13.102 -7.448 1.00 0.00 C ATOM 432 OD1 ASP A 29 18.844 -13.991 -6.933 1.00 0.00 O ATOM 433 OD2 ASP A 29 18.365 -12.609 -8.572 1.00 0.00 O ATOM 0 H ASP A 29 14.713 -12.637 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 29 16.372 -14.652 -6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.485 -11.760 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.267 -12.213 -5.704 1.00 0.00 H new ATOM 438 N PRO A 30 15.551 -14.568 -4.169 1.00 0.00 N ATOM 439 CA PRO A 30 15.019 -14.584 -2.807 1.00 0.00 C ATOM 440 C PRO A 30 14.984 -13.199 -2.172 1.00 0.00 C ATOM 441 O PRO A 30 13.912 -12.643 -1.933 1.00 0.00 O ATOM 442 CB PRO A 30 15.985 -15.507 -2.046 1.00 0.00 C ATOM 443 CG PRO A 30 16.935 -16.064 -3.065 1.00 0.00 C ATOM 444 CD PRO A 30 16.366 -15.756 -4.424 1.00 0.00 C ATOM 0 HA PRO A 30 13.984 -14.925 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.523 -14.955 -1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.442 -16.308 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.923 -15.619 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.053 -17.139 -2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 30 17.149 -15.560 -5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.768 -16.582 -4.810 1.00 0.00 H new ATOM 452 N LEU A 31 16.159 -12.642 -1.909 1.00 0.00 N ATOM 453 CA LEU A 31 16.259 -11.314 -1.311 1.00 0.00 C ATOM 454 C LEU A 31 15.321 -11.187 -0.101 1.00 0.00 C ATOM 455 O LEU A 31 15.272 -12.078 0.747 1.00 0.00 O ATOM 456 CB LEU A 31 15.936 -10.253 -2.367 1.00 0.00 C ATOM 457 CG LEU A 31 16.649 -10.436 -3.708 1.00 0.00 C ATOM 458 CD1 LEU A 31 15.806 -9.877 -4.844 1.00 0.00 C ATOM 459 CD2 LEU A 31 18.017 -9.771 -3.678 1.00 0.00 C ATOM 0 H LEU A 31 17.057 -13.088 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 31 17.278 -11.160 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.860 -10.252 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.194 -9.273 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 31 16.789 -11.503 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 31 16.331 -10.017 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.850 -10.399 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.633 -8.814 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 31 18.511 -9.911 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 31 17.899 -8.705 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 31 18.623 -10.220 -2.891 1.00 0.00 H new ATOM 471 N VAL A 32 14.587 -10.076 -0.019 1.00 0.00 N ATOM 472 CA VAL A 32 13.669 -9.842 1.091 1.00 0.00 C ATOM 473 C VAL A 32 12.612 -10.944 1.168 1.00 0.00 C ATOM 474 O VAL A 32 12.093 -11.399 0.149 1.00 0.00 O ATOM 475 CB VAL A 32 12.981 -8.460 0.955 1.00 0.00 C ATOM 476 CG1 VAL A 32 12.555 -8.206 -0.485 1.00 0.00 C ATOM 477 CG2 VAL A 32 11.787 -8.333 1.894 1.00 0.00 C ATOM 0 H VAL A 32 14.612 -9.326 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 32 14.253 -9.854 2.011 1.00 0.00 H new ATOM 0 HB VAL A 32 13.711 -7.703 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.075 -7.230 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.431 -8.227 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.854 -8.979 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.330 -7.351 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.055 -9.106 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.121 -8.451 2.925 1.00 0.00 H new ATOM 487 N SER A 33 12.306 -11.367 2.393 1.00 0.00 N ATOM 488 CA SER A 33 11.318 -12.415 2.624 1.00 0.00 C ATOM 489 C SER A 33 9.969 -11.819 3.013 1.00 0.00 C ATOM 490 O SER A 33 9.763 -10.612 2.918 1.00 0.00 O ATOM 491 CB SER A 33 11.801 -13.369 3.717 1.00 0.00 C ATOM 492 OG SER A 33 11.472 -14.712 3.407 1.00 0.00 O ATOM 0 H SER A 33 12.731 -10.997 3.243 1.00 0.00 H new ATOM 0 HA SER A 33 11.193 -12.971 1.695 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.880 -13.274 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.351 -13.092 4.670 1.00 0.00 H new ATOM 0 HG SER A 33 11.794 -15.301 4.121 1.00 0.00 H new ATOM 498 N GLU A 34 9.048 -12.679 3.436 1.00 0.00 N ATOM 499 CA GLU A 34 7.712 -12.243 3.826 1.00 0.00 C ATOM 500 C GLU A 34 7.749 -11.293 5.016 1.00 0.00 C ATOM 501 O GLU A 34 7.047 -10.285 5.031 1.00 0.00 O ATOM 502 CB GLU A 34 6.836 -13.452 4.153 1.00 0.00 C ATOM 503 CG GLU A 34 6.635 -14.393 2.977 1.00 0.00 C ATOM 504 CD GLU A 34 6.170 -15.770 3.407 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.099 -15.864 4.041 1.00 0.00 O ATOM 506 OE2 GLU A 34 6.877 -16.756 3.108 1.00 0.00 O ATOM 0 H GLU A 34 9.203 -13.684 3.517 1.00 0.00 H new ATOM 0 HA GLU A 34 7.286 -11.702 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.287 -14.005 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.863 -13.102 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.903 -13.963 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.571 -14.485 2.426 1.00 0.00 H new ATOM 513 N GLU A 35 8.562 -11.616 6.011 1.00 0.00 N ATOM 514 CA GLU A 35 8.671 -10.779 7.203 1.00 0.00 C ATOM 515 C GLU A 35 9.361 -9.459 6.878 1.00 0.00 C ATOM 516 O GLU A 35 8.981 -8.407 7.392 1.00 0.00 O ATOM 517 CB GLU A 35 9.436 -11.515 8.305 1.00 0.00 C ATOM 518 CG GLU A 35 10.785 -12.054 7.857 1.00 0.00 C ATOM 519 CD GLU A 35 10.991 -13.506 8.242 1.00 0.00 C ATOM 520 OE1 GLU A 35 10.344 -14.380 7.627 1.00 0.00 O ATOM 521 OE2 GLU A 35 11.797 -13.768 9.159 1.00 0.00 O ATOM 0 H GLU A 35 9.154 -12.446 6.020 1.00 0.00 H new ATOM 0 HA GLU A 35 7.663 -10.563 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.586 -10.837 9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.826 -12.343 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.871 -11.953 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.578 -11.449 8.297 1.00 0.00 H new ATOM 528 N ASP A 36 10.367 -9.517 6.013 1.00 0.00 N ATOM 529 CA ASP A 36 11.091 -8.319 5.614 1.00 0.00 C ATOM 530 C ASP A 36 10.246 -7.503 4.644 1.00 0.00 C ATOM 531 O ASP A 36 10.141 -6.284 4.767 1.00 0.00 O ATOM 532 CB ASP A 36 12.435 -8.686 4.986 1.00 0.00 C ATOM 533 CG ASP A 36 13.560 -8.704 6.000 1.00 0.00 C ATOM 534 OD1 ASP A 36 13.708 -9.725 6.705 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.294 -7.697 6.092 1.00 0.00 O ATOM 0 H ASP A 36 10.698 -10.378 5.577 1.00 0.00 H new ATOM 0 HA ASP A 36 11.289 -7.715 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.358 -9.666 4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.672 -7.972 4.197 1.00 0.00 H new ATOM 540 N MET A 37 9.621 -8.195 3.695 1.00 0.00 N ATOM 541 CA MET A 37 8.758 -7.534 2.723 1.00 0.00 C ATOM 542 C MET A 37 7.588 -6.895 3.460 1.00 0.00 C ATOM 543 O MET A 37 7.282 -5.720 3.271 1.00 0.00 O ATOM 544 CB MET A 37 8.246 -8.530 1.681 1.00 0.00 C ATOM 545 CG MET A 37 7.672 -7.868 0.438 1.00 0.00 C ATOM 546 SD MET A 37 8.935 -7.054 -0.559 1.00 0.00 S ATOM 547 CE MET A 37 8.270 -5.394 -0.663 1.00 0.00 C ATOM 0 H MET A 37 9.696 -9.206 3.579 1.00 0.00 H new ATOM 0 HA MET A 37 9.329 -6.768 2.198 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.063 -9.189 1.387 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.479 -9.157 2.136 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.164 -8.619 -0.168 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.921 -7.136 0.735 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.489 -4.975 -1.645 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.191 -5.424 -0.514 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.725 -4.771 0.107 1.00 0.00 H new ATOM 557 N VAL A 38 6.937 -7.696 4.300 1.00 0.00 N ATOM 558 CA VAL A 38 5.794 -7.240 5.075 1.00 0.00 C ATOM 559 C VAL A 38 6.165 -6.000 5.877 1.00 0.00 C ATOM 560 O VAL A 38 5.434 -5.010 5.876 1.00 0.00 O ATOM 561 CB VAL A 38 5.313 -8.357 6.036 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.526 -7.794 7.213 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.487 -9.386 5.282 1.00 0.00 C ATOM 0 H VAL A 38 7.187 -8.672 4.460 1.00 0.00 H new ATOM 0 HA VAL A 38 4.986 -6.993 4.386 1.00 0.00 H new ATOM 0 HB VAL A 38 6.199 -8.845 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.208 -8.610 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.157 -7.107 7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.650 -7.261 6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.157 -10.163 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.617 -8.901 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.093 -9.833 4.494 1.00 0.00 H new ATOM 573 N THR A 39 7.309 -6.045 6.549 1.00 0.00 N ATOM 574 CA THR A 39 7.764 -4.904 7.332 1.00 0.00 C ATOM 575 C THR A 39 7.976 -3.701 6.423 1.00 0.00 C ATOM 576 O THR A 39 7.712 -2.562 6.810 1.00 0.00 O ATOM 577 CB THR A 39 9.059 -5.244 8.071 1.00 0.00 C ATOM 578 OG1 THR A 39 8.876 -6.367 8.915 1.00 0.00 O ATOM 579 CG2 THR A 39 9.578 -4.107 8.926 1.00 0.00 C ATOM 0 H THR A 39 7.933 -6.851 6.568 1.00 0.00 H new ATOM 0 HA THR A 39 7.000 -4.660 8.070 1.00 0.00 H new ATOM 0 HB THR A 39 9.790 -5.452 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.154 -7.180 8.443 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.498 -4.415 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.778 -3.240 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.832 -3.846 9.676 1.00 0.00 H new ATOM 587 N VAL A 40 8.436 -3.964 5.203 1.00 0.00 N ATOM 588 CA VAL A 40 8.660 -2.905 4.231 1.00 0.00 C ATOM 589 C VAL A 40 7.326 -2.330 3.768 1.00 0.00 C ATOM 590 O VAL A 40 7.178 -1.117 3.617 1.00 0.00 O ATOM 591 CB VAL A 40 9.457 -3.411 3.009 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.668 -2.292 2.000 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.791 -3.999 3.448 1.00 0.00 C ATOM 0 H VAL A 40 8.660 -4.901 4.867 1.00 0.00 H new ATOM 0 HA VAL A 40 9.247 -2.128 4.720 1.00 0.00 H new ATOM 0 HB VAL A 40 8.878 -4.197 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.232 -2.672 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.701 -1.922 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.223 -1.479 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.339 -4.350 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.375 -3.234 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.615 -4.834 4.126 1.00 0.00 H new ATOM 603 N VAL A 41 6.349 -3.212 3.564 1.00 0.00 N ATOM 604 CA VAL A 41 5.022 -2.793 3.142 1.00 0.00 C ATOM 605 C VAL A 41 4.388 -1.929 4.227 1.00 0.00 C ATOM 606 O VAL A 41 3.880 -0.841 3.954 1.00 0.00 O ATOM 607 CB VAL A 41 4.124 -4.018 2.855 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.661 -3.617 2.727 1.00 0.00 C ATOM 609 CG2 VAL A 41 4.594 -4.737 1.599 1.00 0.00 C ATOM 0 H VAL A 41 6.455 -4.219 3.685 1.00 0.00 H new ATOM 0 HA VAL A 41 5.117 -2.214 2.223 1.00 0.00 H new ATOM 0 HB VAL A 41 4.207 -4.700 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.057 -4.502 2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.328 -3.155 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.549 -2.907 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.952 -5.597 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.546 -4.055 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.621 -5.074 1.736 1.00 0.00 H new ATOM 619 N GLU A 42 4.431 -2.422 5.461 1.00 0.00 N ATOM 620 CA GLU A 42 3.873 -1.696 6.593 1.00 0.00 C ATOM 621 C GLU A 42 4.488 -0.303 6.683 1.00 0.00 C ATOM 622 O GLU A 42 3.778 0.695 6.797 1.00 0.00 O ATOM 623 CB GLU A 42 4.114 -2.469 7.892 1.00 0.00 C ATOM 624 CG GLU A 42 2.845 -2.725 8.688 1.00 0.00 C ATOM 625 CD GLU A 42 3.042 -3.754 9.783 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.232 -4.944 9.453 1.00 0.00 O ATOM 627 OE2 GLU A 42 3.007 -3.372 10.971 1.00 0.00 O ATOM 0 H GLU A 42 4.847 -3.322 5.701 1.00 0.00 H new ATOM 0 HA GLU A 42 2.798 -1.593 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.584 -3.424 7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.817 -1.912 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.503 -1.789 9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.059 -3.064 8.013 1.00 0.00 H new ATOM 634 N ASP A 43 5.816 -0.247 6.630 1.00 0.00 N ATOM 635 CA ASP A 43 6.538 1.018 6.701 1.00 0.00 C ATOM 636 C ASP A 43 6.022 2.010 5.659 1.00 0.00 C ATOM 637 O ASP A 43 5.767 3.174 5.970 1.00 0.00 O ATOM 638 CB ASP A 43 8.036 0.783 6.488 1.00 0.00 C ATOM 639 CG ASP A 43 8.781 0.549 7.787 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.658 -0.559 8.351 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.492 1.472 8.239 1.00 0.00 O ATOM 0 H ASP A 43 6.415 -1.067 6.538 1.00 0.00 H new ATOM 0 HA ASP A 43 6.372 1.442 7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.175 -0.078 5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.466 1.645 5.977 1.00 0.00 H new ATOM 646 N TRP A 44 5.905 1.550 4.417 1.00 0.00 N ATOM 647 CA TRP A 44 5.458 2.416 3.330 1.00 0.00 C ATOM 648 C TRP A 44 4.060 2.968 3.599 1.00 0.00 C ATOM 649 O TRP A 44 3.823 4.170 3.463 1.00 0.00 O ATOM 650 CB TRP A 44 5.451 1.642 2.009 1.00 0.00 C ATOM 651 CG TRP A 44 6.818 1.283 1.515 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.999 1.877 1.856 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.144 0.246 0.584 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.040 1.273 1.193 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.540 0.268 0.405 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.390 -0.701 -0.117 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.195 -0.620 -0.444 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.041 -1.581 -0.960 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.432 -1.535 -1.117 1.00 0.00 C ATOM 0 H TRP A 44 6.111 0.591 4.139 1.00 0.00 H new ATOM 0 HA TRP A 44 6.154 3.252 3.264 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.869 0.729 2.136 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.945 2.240 1.250 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.100 2.701 2.546 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.024 1.530 1.274 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.317 -0.744 -0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.267 -0.588 -0.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.468 -2.316 -1.506 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.912 -2.236 -1.783 1.00 0.00 H new ATOM 670 N MET A 45 3.131 2.090 3.955 1.00 0.00 N ATOM 671 CA MET A 45 1.755 2.499 4.211 1.00 0.00 C ATOM 672 C MET A 45 1.630 3.375 5.453 1.00 0.00 C ATOM 673 O MET A 45 0.881 4.352 5.454 1.00 0.00 O ATOM 674 CB MET A 45 0.859 1.267 4.354 1.00 0.00 C ATOM 675 CG MET A 45 -0.626 1.583 4.292 1.00 0.00 C ATOM 676 SD MET A 45 -1.637 0.348 5.133 1.00 0.00 S ATOM 677 CE MET A 45 -0.853 -1.168 4.589 1.00 0.00 C ATOM 0 H MET A 45 3.304 1.092 4.073 1.00 0.00 H new ATOM 0 HA MET A 45 1.433 3.095 3.357 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.104 0.557 3.564 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.078 0.777 5.303 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.804 2.560 4.742 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.936 1.651 3.249 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.531 -2.006 4.750 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.614 -1.094 3.528 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.063 -1.328 5.157 1.00 0.00 H new ATOM 687 N ASN A 46 2.345 3.023 6.517 1.00 0.00 N ATOM 688 CA ASN A 46 2.274 3.790 7.755 1.00 0.00 C ATOM 689 C ASN A 46 2.856 5.191 7.580 1.00 0.00 C ATOM 690 O ASN A 46 2.349 6.157 8.156 1.00 0.00 O ATOM 691 CB ASN A 46 2.981 3.040 8.895 1.00 0.00 C ATOM 692 CG ASN A 46 4.370 3.576 9.197 1.00 0.00 C ATOM 693 OD1 ASN A 46 5.344 3.221 8.532 1.00 0.00 O ATOM 694 ND2 ASN A 46 4.465 4.437 10.205 1.00 0.00 N ATOM 0 H ASN A 46 2.974 2.220 6.547 1.00 0.00 H new ATOM 0 HA ASN A 46 1.222 3.904 8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.371 3.104 9.796 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.055 1.984 8.635 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.372 4.832 10.455 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.631 4.703 10.729 1.00 0.00 H new ATOM 701 N PHE A 47 3.913 5.314 6.786 1.00 0.00 N ATOM 702 CA PHE A 47 4.511 6.620 6.568 1.00 0.00 C ATOM 703 C PHE A 47 3.593 7.462 5.704 1.00 0.00 C ATOM 704 O PHE A 47 3.407 8.645 5.966 1.00 0.00 O ATOM 705 CB PHE A 47 5.926 6.508 5.965 1.00 0.00 C ATOM 706 CG PHE A 47 6.022 6.696 4.467 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.707 7.912 3.867 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.450 5.653 3.664 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.815 8.071 2.498 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.563 5.810 2.296 1.00 0.00 C ATOM 711 CZ PHE A 47 6.244 7.020 1.713 1.00 0.00 C ATOM 0 H PHE A 47 4.364 4.543 6.293 1.00 0.00 H new ATOM 0 HA PHE A 47 4.629 7.115 7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.565 7.248 6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.330 5.527 6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.375 8.739 4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.699 4.703 4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.564 9.018 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.901 4.987 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.330 7.144 0.644 1.00 0.00 H new ATOM 721 N TYR A 48 3.001 6.843 4.691 1.00 0.00 N ATOM 722 CA TYR A 48 2.085 7.557 3.818 1.00 0.00 C ATOM 723 C TYR A 48 0.876 8.034 4.608 1.00 0.00 C ATOM 724 O TYR A 48 0.472 9.187 4.500 1.00 0.00 O ATOM 725 CB TYR A 48 1.629 6.667 2.660 1.00 0.00 C ATOM 726 CG TYR A 48 2.590 6.627 1.493 1.00 0.00 C ATOM 727 CD1 TYR A 48 3.035 7.798 0.892 1.00 0.00 C ATOM 728 CD2 TYR A 48 3.047 5.416 0.989 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.908 7.763 -0.180 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.920 5.373 -0.082 1.00 0.00 C ATOM 731 CZ TYR A 48 4.346 6.548 -0.662 1.00 0.00 C ATOM 732 OH TYR A 48 5.215 6.508 -1.730 1.00 0.00 O ATOM 0 H TYR A 48 3.138 5.860 4.457 1.00 0.00 H new ATOM 0 HA TYR A 48 2.610 8.419 3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.484 5.653 3.032 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.660 7.019 2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.694 8.751 1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.715 4.493 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.245 8.682 -0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.266 4.423 -0.462 1.00 0.00 H new ATOM 0 HH TYR A 48 5.427 5.576 -1.945 1.00 0.00 H new ATOM 742 N ILE A 49 0.288 7.135 5.388 1.00 0.00 N ATOM 743 CA ILE A 49 -0.887 7.471 6.178 1.00 0.00 C ATOM 744 C ILE A 49 -0.630 8.655 7.114 1.00 0.00 C ATOM 745 O ILE A 49 -1.415 9.604 7.143 1.00 0.00 O ATOM 746 CB ILE A 49 -1.391 6.263 7.007 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.698 6.616 7.717 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.346 5.821 8.010 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.916 5.963 7.104 1.00 0.00 C ATOM 0 H ILE A 49 0.605 6.171 5.489 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.659 7.753 5.462 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.576 5.434 6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.625 6.319 8.763 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.830 7.698 7.701 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.724 4.972 8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.563 5.529 7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.124 6.643 8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.806 6.259 7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.015 6.279 6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.807 4.879 7.144 1.00 0.00 H new ATOM 761 N ASN A 50 0.458 8.607 7.886 1.00 0.00 N ATOM 762 CA ASN A 50 0.762 9.698 8.812 1.00 0.00 C ATOM 763 C ASN A 50 1.277 10.927 8.068 1.00 0.00 C ATOM 764 O ASN A 50 1.017 12.061 8.470 1.00 0.00 O ATOM 765 CB ASN A 50 1.768 9.252 9.881 1.00 0.00 C ATOM 766 CG ASN A 50 3.178 9.086 9.348 1.00 0.00 C ATOM 767 OD1 ASN A 50 3.662 7.968 9.188 1.00 0.00 O ATOM 768 ND2 ASN A 50 3.851 10.202 9.086 1.00 0.00 N ATOM 0 H ASN A 50 1.131 7.840 7.889 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.167 9.971 9.313 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.777 9.983 10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.436 8.307 10.310 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.808 10.150 8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.410 11.110 9.233 1.00 0.00 H new ATOM 775 N TYR A 51 2.003 10.697 6.982 1.00 0.00 N ATOM 776 CA TYR A 51 2.550 11.782 6.180 1.00 0.00 C ATOM 777 C TYR A 51 1.427 12.520 5.455 1.00 0.00 C ATOM 778 O TYR A 51 1.482 13.735 5.271 1.00 0.00 O ATOM 779 CB TYR A 51 3.568 11.203 5.192 1.00 0.00 C ATOM 780 CG TYR A 51 3.914 12.086 4.020 1.00 0.00 C ATOM 781 CD1 TYR A 51 4.132 13.449 4.173 1.00 0.00 C ATOM 782 CD2 TYR A 51 4.035 11.539 2.753 1.00 0.00 C ATOM 783 CE1 TYR A 51 4.460 14.240 3.087 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.360 12.319 1.666 1.00 0.00 C ATOM 785 CZ TYR A 51 4.573 13.670 1.835 1.00 0.00 C ATOM 786 OH TYR A 51 4.900 14.453 0.753 1.00 0.00 O ATOM 0 H TYR A 51 2.227 9.764 6.636 1.00 0.00 H new ATOM 0 HA TYR A 51 3.054 12.504 6.822 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.485 10.975 5.735 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.180 10.259 4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.044 13.897 5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.871 10.480 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.627 15.299 3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.448 11.874 0.686 1.00 0.00 H new ATOM 0 HH TYR A 51 4.940 13.897 -0.053 1.00 0.00 H new ATOM 796 N TYR A 52 0.403 11.770 5.064 1.00 0.00 N ATOM 797 CA TYR A 52 -0.749 12.335 4.377 1.00 0.00 C ATOM 798 C TYR A 52 -1.635 13.095 5.353 1.00 0.00 C ATOM 799 O TYR A 52 -2.162 14.161 5.031 1.00 0.00 O ATOM 800 CB TYR A 52 -1.549 11.233 3.688 1.00 0.00 C ATOM 801 CG TYR A 52 -1.111 10.989 2.267 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.214 10.698 1.977 1.00 0.00 C ATOM 803 CD2 TYR A 52 -2.014 11.062 1.216 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.629 10.489 0.680 1.00 0.00 C ATOM 805 CE2 TYR A 52 -1.608 10.850 -0.085 1.00 0.00 C ATOM 806 CZ TYR A 52 -0.285 10.564 -0.350 1.00 0.00 C ATOM 807 OH TYR A 52 0.125 10.360 -1.646 1.00 0.00 O ATOM 0 H TYR A 52 0.349 10.762 5.213 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.389 13.033 3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.449 10.309 4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.606 11.499 3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.932 10.634 2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.050 11.288 1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.665 10.267 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.323 10.908 -0.893 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.103 11.143 -2.189 1.00 0.00 H new ATOM 817 N ARG A 53 -1.790 12.542 6.552 1.00 0.00 N ATOM 818 CA ARG A 53 -2.609 13.169 7.584 1.00 0.00 C ATOM 819 C ARG A 53 -2.223 14.635 7.764 1.00 0.00 C ATOM 820 O ARG A 53 -3.035 15.454 8.193 1.00 0.00 O ATOM 821 CB ARG A 53 -2.437 12.432 8.913 1.00 0.00 C ATOM 822 CG ARG A 53 -3.369 11.245 9.085 1.00 0.00 C ATOM 823 CD ARG A 53 -3.552 10.896 10.553 1.00 0.00 C ATOM 824 NE ARG A 53 -2.288 10.526 11.186 1.00 0.00 N ATOM 825 CZ ARG A 53 -1.925 10.901 12.413 1.00 0.00 C ATOM 826 NH1 ARG A 53 -2.732 11.645 13.160 1.00 0.00 N ATOM 827 NH2 ARG A 53 -0.750 10.523 12.896 1.00 0.00 N ATOM 0 H ARG A 53 -1.359 11.661 6.833 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.651 13.114 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.406 12.087 8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.604 13.134 9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.337 11.472 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.967 10.384 8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.985 11.748 11.077 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.259 10.072 10.645 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.641 9.943 10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.640 11.935 12.797 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.444 11.926 14.097 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.127 9.947 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.469 10.808 13.834 1.00 0.00 H new ATOM 841 N GLN A 54 -0.970 14.952 7.448 1.00 0.00 N ATOM 842 CA GLN A 54 -0.467 16.312 7.589 1.00 0.00 C ATOM 843 C GLN A 54 -0.228 16.980 6.233 1.00 0.00 C ATOM 844 O GLN A 54 0.242 18.116 6.176 1.00 0.00 O ATOM 845 CB GLN A 54 0.838 16.296 8.389 1.00 0.00 C ATOM 846 CG GLN A 54 0.628 16.173 9.890 1.00 0.00 C ATOM 847 CD GLN A 54 1.120 14.850 10.444 1.00 0.00 C ATOM 848 OE1 GLN A 54 0.410 14.171 11.186 1.00 0.00 O ATOM 849 NE2 GLN A 54 2.343 14.476 10.085 1.00 0.00 N ATOM 0 H GLN A 54 -0.286 14.284 7.093 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.225 16.892 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.454 15.465 8.047 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.393 17.211 8.182 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.147 16.988 10.393 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.433 16.284 10.114 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.897 15.070 9.468 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.728 13.595 10.426 1.00 0.00 H new ATOM 858 N GLN A 55 -0.531 16.277 5.141 1.00 0.00 N ATOM 859 CA GLN A 55 -0.318 16.821 3.803 1.00 0.00 C ATOM 860 C GLN A 55 -1.616 17.323 3.171 1.00 0.00 C ATOM 861 O GLN A 55 -1.586 18.079 2.200 1.00 0.00 O ATOM 862 CB GLN A 55 0.302 15.750 2.903 1.00 0.00 C ATOM 863 CG GLN A 55 0.978 16.310 1.663 1.00 0.00 C ATOM 864 CD GLN A 55 2.100 17.273 1.997 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.206 18.350 1.411 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.943 16.886 2.945 1.00 0.00 N ATOM 0 H GLN A 55 -0.922 15.335 5.158 1.00 0.00 H new ATOM 0 HA GLN A 55 0.356 17.672 3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.033 15.182 3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.476 15.050 2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.375 15.488 1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.237 16.820 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.816 15.984 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.719 17.491 3.216 1.00 0.00 H new ATOM 875 N VAL A 56 -2.756 16.899 3.711 1.00 0.00 N ATOM 876 CA VAL A 56 -4.048 17.317 3.168 1.00 0.00 C ATOM 877 C VAL A 56 -4.312 18.793 3.443 1.00 0.00 C ATOM 878 O VAL A 56 -3.761 19.370 4.381 1.00 0.00 O ATOM 879 CB VAL A 56 -5.225 16.489 3.727 1.00 0.00 C ATOM 880 CG1 VAL A 56 -6.365 16.448 2.718 1.00 0.00 C ATOM 881 CG2 VAL A 56 -4.785 15.077 4.092 1.00 0.00 C ATOM 0 H VAL A 56 -2.813 16.274 4.515 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.987 17.145 2.093 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.576 16.974 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.189 15.861 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.708 17.463 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.015 15.991 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.637 14.520 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.399 14.575 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.004 15.124 4.851 1.00 0.00 H new ATOM 891 N THR A 57 -5.161 19.398 2.617 1.00 0.00 N ATOM 892 CA THR A 57 -5.502 20.807 2.766 1.00 0.00 C ATOM 893 C THR A 57 -7.015 21.003 2.747 1.00 0.00 C ATOM 894 O THR A 57 -7.766 20.073 2.455 1.00 0.00 O ATOM 895 CB THR A 57 -4.855 21.630 1.652 1.00 0.00 C ATOM 896 OG1 THR A 57 -4.854 20.910 0.431 1.00 0.00 O ATOM 897 CG2 THR A 57 -3.425 22.026 1.952 1.00 0.00 C ATOM 0 H THR A 57 -5.625 18.933 1.837 1.00 0.00 H new ATOM 0 HA THR A 57 -5.121 21.149 3.728 1.00 0.00 H new ATOM 0 HB THR A 57 -5.457 22.535 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.437 21.454 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.027 22.608 1.121 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.397 22.626 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.821 21.130 2.090 1.00 0.00 H new ATOM 905 N GLY A 58 -7.456 22.219 3.057 1.00 0.00 N ATOM 906 CA GLY A 58 -8.876 22.511 3.066 1.00 0.00 C ATOM 907 C GLY A 58 -9.522 22.229 4.409 1.00 0.00 C ATOM 908 O GLY A 58 -8.875 22.335 5.451 1.00 0.00 O ATOM 0 H GLY A 58 -6.855 23.006 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.029 23.558 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.370 21.917 2.298 1.00 0.00 H new ATOM 912 N GLU A 59 -10.802 21.870 4.383 1.00 0.00 N ATOM 913 CA GLU A 59 -11.537 21.573 5.607 1.00 0.00 C ATOM 914 C GLU A 59 -11.147 20.203 6.158 1.00 0.00 C ATOM 915 O GLU A 59 -10.566 19.381 5.448 1.00 0.00 O ATOM 916 CB GLU A 59 -13.044 21.622 5.345 1.00 0.00 C ATOM 917 CG GLU A 59 -13.659 22.993 5.581 1.00 0.00 C ATOM 918 CD GLU A 59 -14.099 23.665 4.295 1.00 0.00 C ATOM 919 OE1 GLU A 59 -13.225 24.171 3.561 1.00 0.00 O ATOM 920 OE2 GLU A 59 -15.318 23.685 4.023 1.00 0.00 O ATOM 0 H GLU A 59 -11.351 21.778 3.528 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.280 22.329 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.235 21.320 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.540 20.895 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.517 22.892 6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.935 23.629 6.089 1.00 0.00 H new ATOM 927 N PRO A 60 -11.463 19.939 7.438 1.00 0.00 N ATOM 928 CA PRO A 60 -11.141 18.660 8.085 1.00 0.00 C ATOM 929 C PRO A 60 -11.894 17.490 7.461 1.00 0.00 C ATOM 930 O PRO A 60 -11.424 16.352 7.491 1.00 0.00 O ATOM 931 CB PRO A 60 -11.583 18.867 9.537 1.00 0.00 C ATOM 932 CG PRO A 60 -12.587 19.966 9.481 1.00 0.00 C ATOM 933 CD PRO A 60 -12.153 20.861 8.355 1.00 0.00 C ATOM 0 HA PRO A 60 -10.085 18.409 7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.017 17.957 9.951 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.739 19.135 10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.588 19.572 9.304 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.621 20.512 10.424 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.004 21.345 7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.490 21.653 8.703 1.00 0.00 H new ATOM 941 N GLN A 61 -13.062 17.775 6.896 1.00 0.00 N ATOM 942 CA GLN A 61 -13.877 16.742 6.264 1.00 0.00 C ATOM 943 C GLN A 61 -13.178 16.179 5.032 1.00 0.00 C ATOM 944 O GLN A 61 -13.224 14.977 4.772 1.00 0.00 O ATOM 945 CB GLN A 61 -15.245 17.308 5.876 1.00 0.00 C ATOM 946 CG GLN A 61 -15.166 18.553 5.008 1.00 0.00 C ATOM 947 CD GLN A 61 -15.432 18.262 3.544 1.00 0.00 C ATOM 948 OE1 GLN A 61 -14.517 17.936 2.787 1.00 0.00 O ATOM 949 NE2 GLN A 61 -16.691 18.379 3.137 1.00 0.00 N ATOM 0 H GLN A 61 -13.466 18.711 6.862 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.017 15.934 6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.809 16.541 5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.802 17.543 6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -15.888 19.287 5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.178 19.001 5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.418 18.652 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.931 18.196 2.163 1.00 0.00 H new ATOM 958 N GLU A 62 -12.530 17.059 4.279 1.00 0.00 N ATOM 959 CA GLU A 62 -11.817 16.657 3.072 1.00 0.00 C ATOM 960 C GLU A 62 -10.644 15.749 3.420 1.00 0.00 C ATOM 961 O GLU A 62 -10.437 14.716 2.783 1.00 0.00 O ATOM 962 CB GLU A 62 -11.319 17.888 2.312 1.00 0.00 C ATOM 963 CG GLU A 62 -12.267 18.349 1.217 1.00 0.00 C ATOM 964 CD GLU A 62 -11.537 18.908 0.011 1.00 0.00 C ATOM 965 OE1 GLU A 62 -10.808 19.909 0.170 1.00 0.00 O ATOM 966 OE2 GLU A 62 -11.694 18.342 -1.091 1.00 0.00 O ATOM 0 H GLU A 62 -12.483 18.057 4.483 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.508 16.105 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.168 18.704 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.348 17.664 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.890 17.511 0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.936 19.111 1.618 1.00 0.00 H new ATOM 973 N ARG A 63 -9.880 16.136 4.438 1.00 0.00 N ATOM 974 CA ARG A 63 -8.734 15.345 4.866 1.00 0.00 C ATOM 975 C ARG A 63 -9.192 13.981 5.363 1.00 0.00 C ATOM 976 O ARG A 63 -8.663 12.949 4.955 1.00 0.00 O ATOM 977 CB ARG A 63 -7.960 16.063 5.977 1.00 0.00 C ATOM 978 CG ARG A 63 -7.853 17.569 5.791 1.00 0.00 C ATOM 979 CD ARG A 63 -7.011 18.204 6.886 1.00 0.00 C ATOM 980 NE ARG A 63 -6.671 19.591 6.580 1.00 0.00 N ATOM 981 CZ ARG A 63 -6.339 20.495 7.500 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.297 20.162 8.784 1.00 0.00 N ATOM 983 NH2 ARG A 63 -6.048 21.736 7.134 1.00 0.00 N ATOM 0 H ARG A 63 -10.034 16.988 4.978 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.074 15.214 4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.445 15.860 6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.956 15.643 6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.412 17.787 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.850 18.009 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.554 18.164 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.096 17.627 7.020 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.689 19.885 5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.520 19.209 9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.042 20.859 9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.079 21.998 6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.794 22.429 7.838 1.00 0.00 H new ATOM 997 N ASP A 64 -10.166 13.988 6.268 1.00 0.00 N ATOM 998 CA ASP A 64 -10.680 12.752 6.844 1.00 0.00 C ATOM 999 C ASP A 64 -11.147 11.784 5.762 1.00 0.00 C ATOM 1000 O ASP A 64 -10.891 10.581 5.849 1.00 0.00 O ATOM 1001 CB ASP A 64 -11.833 13.056 7.804 1.00 0.00 C ATOM 1002 CG ASP A 64 -11.376 13.139 9.247 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -11.082 12.079 9.839 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -11.312 14.264 9.785 1.00 0.00 O ATOM 0 H ASP A 64 -10.614 14.835 6.617 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.867 12.278 7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.301 13.998 7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.594 12.281 7.711 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.823 12.295 4.736 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.300 11.441 3.656 1.00 0.00 C ATOM 1011 C LYS A 65 -11.125 10.838 2.902 1.00 0.00 C ATOM 1012 O LYS A 65 -11.065 9.628 2.682 1.00 0.00 O ATOM 1013 CB LYS A 65 -13.188 12.248 2.703 1.00 0.00 C ATOM 1014 CG LYS A 65 -13.626 11.480 1.466 1.00 0.00 C ATOM 1015 CD LYS A 65 -14.261 12.405 0.440 1.00 0.00 C ATOM 1016 CE LYS A 65 -14.144 11.844 -0.969 1.00 0.00 C ATOM 1017 NZ LYS A 65 -15.445 11.317 -1.465 1.00 0.00 N ATOM 0 H LYS A 65 -12.050 13.284 4.631 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.890 10.630 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.074 12.582 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.649 13.143 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.766 10.978 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.337 10.704 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.312 12.555 0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.781 13.382 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.788 12.624 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.400 11.047 -0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.324 10.944 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.773 10.556 -0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.148 12.083 -1.477 1.00 0.00 H new ATOM 1031 N ALA A 66 -10.185 11.689 2.517 1.00 0.00 N ATOM 1032 CA ALA A 66 -9.002 11.241 1.798 1.00 0.00 C ATOM 1033 C ALA A 66 -8.228 10.230 2.634 1.00 0.00 C ATOM 1034 O ALA A 66 -7.714 9.239 2.117 1.00 0.00 O ATOM 1035 CB ALA A 66 -8.117 12.424 1.439 1.00 0.00 C ATOM 0 H ALA A 66 -10.219 12.694 2.691 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.319 10.758 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.237 12.070 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.674 13.116 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.805 12.935 2.350 1.00 0.00 H new ATOM 1041 N LEU A 67 -8.156 10.493 3.935 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.453 9.615 4.861 1.00 0.00 C ATOM 1043 C LEU A 67 -8.040 8.209 4.831 1.00 0.00 C ATOM 1044 O LEU A 67 -7.306 7.221 4.769 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.528 10.185 6.281 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.306 10.991 6.732 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.805 11.892 5.611 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.645 11.814 7.965 1.00 0.00 C ATOM 0 H LEU A 67 -8.579 11.312 4.373 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.409 9.556 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.409 10.823 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.675 9.360 6.978 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.509 10.292 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.937 12.454 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.525 11.282 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.594 12.586 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.768 12.382 8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.459 12.501 7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.952 11.150 8.773 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.368 8.119 4.868 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.032 6.822 4.838 1.00 0.00 C ATOM 1062 C GLN A 68 -9.873 6.171 3.470 1.00 0.00 C ATOM 1063 O GLN A 68 -9.676 4.960 3.369 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.516 6.957 5.202 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.335 7.754 4.198 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.785 7.311 4.147 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -14.510 7.401 5.137 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.214 6.827 2.986 1.00 0.00 N ATOM 0 H GLN A 68 -9.998 8.920 4.918 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.558 6.182 5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.947 5.960 5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.597 7.433 6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.291 8.812 4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.892 7.649 3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.578 6.771 2.191 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.179 6.512 2.890 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.955 6.979 2.417 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.816 6.472 1.059 1.00 0.00 C ATOM 1079 C GLU A 69 -8.430 5.885 0.845 1.00 0.00 C ATOM 1080 O GLU A 69 -8.282 4.826 0.236 1.00 0.00 O ATOM 1081 CB GLU A 69 -10.081 7.586 0.044 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.485 7.557 -0.536 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.526 6.982 -1.939 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -11.369 7.759 -2.903 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -11.712 5.755 -2.072 1.00 0.00 O ATOM 0 H GLU A 69 -10.117 7.984 2.479 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.552 5.682 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.915 8.551 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.359 7.505 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.130 6.966 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.889 8.569 -0.550 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.415 6.571 1.357 1.00 0.00 N ATOM 1093 CA LEU A 70 -6.045 6.098 1.220 1.00 0.00 C ATOM 1094 C LEU A 70 -5.881 4.771 1.947 1.00 0.00 C ATOM 1095 O LEU A 70 -5.357 3.806 1.391 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.062 7.133 1.772 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.834 7.387 0.899 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -4.212 8.202 -0.329 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -2.752 8.098 1.698 1.00 0.00 C ATOM 0 H LEU A 70 -7.514 7.449 1.866 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.828 5.951 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.591 8.076 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.728 6.806 2.757 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.442 6.426 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.325 8.373 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.954 7.658 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.628 9.160 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.884 8.271 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.134 9.053 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.461 7.480 2.547 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.337 4.729 3.194 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.245 3.517 3.999 1.00 0.00 C ATOM 1113 C ARG A 71 -6.910 2.347 3.281 1.00 0.00 C ATOM 1114 O ARG A 71 -6.389 1.232 3.274 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.899 3.734 5.366 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.845 2.512 6.268 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.825 2.629 7.423 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.203 2.769 6.961 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.953 1.752 6.542 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -9.460 0.520 6.524 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.198 1.967 6.141 1.00 0.00 N ATOM 0 H ARG A 71 -6.773 5.519 3.669 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.191 3.283 4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.406 4.567 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.940 4.021 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.072 1.619 5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.834 2.391 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.744 1.747 8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.560 3.489 8.037 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.616 3.702 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.503 0.349 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.038 -0.256 6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.582 2.912 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.772 1.187 5.820 1.00 0.00 H new ATOM 1135 N GLN A 72 -8.060 2.612 2.669 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.786 1.583 1.938 1.00 0.00 C ATOM 1137 C GLN A 72 -7.992 1.148 0.711 1.00 0.00 C ATOM 1138 O GLN A 72 -7.880 -0.044 0.416 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.163 2.098 1.515 1.00 0.00 C ATOM 1140 CG GLN A 72 -11.105 1.002 1.040 1.00 0.00 C ATOM 1141 CD GLN A 72 -12.562 1.405 1.139 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -12.931 2.531 0.804 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -13.401 0.484 1.600 1.00 0.00 N ATOM 0 H GLN A 72 -8.507 3.529 2.665 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.921 0.724 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.621 2.619 2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.038 2.829 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.871 0.749 0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.939 0.103 1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.052 -0.437 1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.395 0.697 1.688 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.437 2.126 0.004 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.644 1.858 -1.189 1.00 0.00 C ATOM 1154 C GLU A 73 -5.470 0.939 -0.864 1.00 0.00 C ATOM 1155 O GLU A 73 -5.214 -0.027 -1.579 1.00 0.00 O ATOM 1156 CB GLU A 73 -6.136 3.169 -1.793 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.656 3.433 -3.197 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.784 4.447 -3.220 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -7.495 5.659 -3.146 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -8.957 4.028 -3.312 1.00 0.00 O ATOM 0 H GLU A 73 -7.522 3.115 0.238 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.281 1.357 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.428 3.995 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.046 3.151 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.838 3.791 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.005 2.497 -3.633 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.763 1.241 0.220 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.623 0.430 0.632 1.00 0.00 C ATOM 1169 C LEU A 74 -4.081 -0.954 1.075 1.00 0.00 C ATOM 1170 O LEU A 74 -3.479 -1.962 0.715 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.866 1.119 1.768 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.466 2.571 1.494 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.576 3.408 2.761 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.055 2.634 0.928 1.00 0.00 C ATOM 0 H LEU A 74 -4.958 2.038 0.827 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.955 0.318 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.485 1.092 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.965 0.545 1.984 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.152 2.984 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.287 4.436 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.604 3.388 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.915 2.999 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.785 3.673 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.356 2.202 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.012 2.072 -0.005 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.141 -0.994 1.877 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.667 -2.259 2.385 1.00 0.00 C ATOM 1188 C ASN A 75 -5.931 -3.238 1.246 1.00 0.00 C ATOM 1189 O ASN A 75 -5.625 -4.426 1.351 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.955 -2.017 3.176 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.991 -2.800 4.474 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -5.992 -2.891 5.186 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.148 -3.372 4.788 1.00 0.00 N ATOM 0 H ASN A 75 -5.652 -0.168 2.189 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.918 -2.696 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.050 -0.953 3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.812 -2.295 2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.233 -3.912 5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.952 -3.271 4.168 1.00 0.00 H new ATOM 1200 N THR A 76 -6.477 -2.728 0.149 1.00 0.00 N ATOM 1201 CA THR A 76 -6.746 -3.569 -1.013 1.00 0.00 C ATOM 1202 C THR A 76 -5.473 -3.755 -1.833 1.00 0.00 C ATOM 1203 O THR A 76 -5.098 -4.871 -2.180 1.00 0.00 O ATOM 1204 CB THR A 76 -7.843 -2.945 -1.877 1.00 0.00 C ATOM 1205 OG1 THR A 76 -8.938 -2.536 -1.079 1.00 0.00 O ATOM 1206 CG2 THR A 76 -8.373 -3.882 -2.940 1.00 0.00 C ATOM 0 H THR A 76 -6.740 -1.749 0.038 1.00 0.00 H new ATOM 0 HA THR A 76 -7.087 -4.545 -0.667 1.00 0.00 H new ATOM 0 HB THR A 76 -7.374 -2.093 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.693 -1.732 -0.574 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.148 -3.377 -3.517 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.560 -4.176 -3.604 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.793 -4.769 -2.466 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.835 -2.637 -2.157 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.615 -2.630 -2.963 1.00 0.00 C ATOM 1216 C LEU A 77 -2.550 -3.595 -2.431 1.00 0.00 C ATOM 1217 O LEU A 77 -1.873 -4.267 -3.209 1.00 0.00 O ATOM 1218 CB LEU A 77 -3.048 -1.211 -3.027 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.727 -0.288 -4.043 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -3.027 1.061 -4.090 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.745 -0.932 -5.421 1.00 0.00 C ATOM 0 H LEU A 77 -5.146 -1.709 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.885 -2.972 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.128 -0.759 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.986 -1.271 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.758 -0.127 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.523 1.703 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.069 1.527 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.986 0.921 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.231 -0.262 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.723 -1.124 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.294 -1.873 -5.376 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.382 -3.639 -1.114 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.373 -4.501 -0.496 1.00 0.00 C ATOM 1235 C ALA A 78 -1.781 -5.975 -0.494 1.00 0.00 C ATOM 1236 O ALA A 78 -0.925 -6.859 -0.489 1.00 0.00 O ATOM 1237 CB ALA A 78 -1.089 -4.036 0.924 1.00 0.00 C ATOM 0 H ALA A 78 -2.929 -3.090 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.469 -4.420 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.337 -4.683 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.720 -3.011 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.006 -4.080 1.512 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.082 -6.237 -0.459 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.581 -7.610 -0.413 1.00 0.00 C ATOM 1245 C ASN A 79 -2.962 -8.485 -1.509 1.00 0.00 C ATOM 1246 O ASN A 79 -2.475 -9.580 -1.226 1.00 0.00 O ATOM 1247 CB ASN A 79 -5.107 -7.622 -0.538 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.794 -7.871 0.791 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.564 -7.156 1.766 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.643 -8.892 0.836 1.00 0.00 N ATOM 0 H ASN A 79 -3.809 -5.522 -0.461 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.289 -8.029 0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.443 -6.668 -0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.405 -8.394 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.134 -9.109 1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.804 -9.459 0.003 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.967 -8.029 -2.774 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.400 -8.799 -3.887 1.00 0.00 C ATOM 1259 C PRO A 80 -0.877 -8.898 -3.826 1.00 0.00 C ATOM 1260 O PRO A 80 -0.287 -9.831 -4.372 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.832 -8.008 -5.124 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.023 -6.617 -4.633 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.530 -6.744 -3.224 1.00 0.00 C ATOM 0 HA PRO A 80 -2.747 -9.832 -3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.075 -8.051 -5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.753 -8.408 -5.549 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.086 -6.060 -4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.735 -6.077 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.193 -5.917 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.619 -6.748 -3.188 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.239 -7.936 -3.160 1.00 0.00 N ATOM 1272 CA PHE A 81 1.217 -7.920 -3.034 1.00 0.00 C ATOM 1273 C PHE A 81 1.698 -9.000 -2.073 1.00 0.00 C ATOM 1274 O PHE A 81 2.557 -9.812 -2.411 1.00 0.00 O ATOM 1275 CB PHE A 81 1.669 -6.545 -2.527 1.00 0.00 C ATOM 1276 CG PHE A 81 3.133 -6.235 -2.718 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.070 -7.238 -2.927 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.571 -4.920 -2.683 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.408 -6.934 -3.095 1.00 0.00 C ATOM 1280 CE2 PHE A 81 4.907 -4.611 -2.851 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.826 -5.619 -3.057 1.00 0.00 C ATOM 0 H PHE A 81 -0.709 -7.157 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 81 1.649 -8.118 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.083 -5.779 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.435 -6.473 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.749 -8.269 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.857 -4.126 -2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.126 -7.725 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.232 -3.581 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.871 -5.380 -3.188 1.00 0.00 H new ATOM 1291 N LEU A 82 1.141 -9.000 -0.872 1.00 0.00 N ATOM 1292 CA LEU A 82 1.523 -9.974 0.138 1.00 0.00 C ATOM 1293 C LEU A 82 1.250 -11.393 -0.344 1.00 0.00 C ATOM 1294 O LEU A 82 2.102 -12.271 -0.225 1.00 0.00 O ATOM 1295 CB LEU A 82 0.787 -9.699 1.450 1.00 0.00 C ATOM 1296 CG LEU A 82 1.480 -8.700 2.380 1.00 0.00 C ATOM 1297 CD1 LEU A 82 2.807 -9.258 2.865 1.00 0.00 C ATOM 1298 CD2 LEU A 82 1.692 -7.365 1.679 1.00 0.00 C ATOM 0 H LEU A 82 0.425 -8.338 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 82 2.594 -9.879 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.211 -9.326 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.660 -10.641 1.983 1.00 0.00 H new ATOM 0 HG LEU A 82 0.835 -8.535 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.286 -8.535 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.634 -10.187 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.454 -9.453 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.186 -6.671 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.314 -7.512 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.728 -6.954 1.379 1.00 0.00 H new ATOM 1310 N ALA A 83 0.063 -11.611 -0.894 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.301 -12.928 -1.398 1.00 0.00 C ATOM 1312 C ALA A 83 0.665 -13.368 -2.487 1.00 0.00 C ATOM 1313 O ALA A 83 1.249 -14.451 -2.416 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.734 -12.928 -1.911 1.00 0.00 C ATOM 0 H ALA A 83 -0.659 -10.899 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.236 -13.642 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.987 -13.921 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.411 -12.661 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.831 -12.202 -2.718 1.00 0.00 H new ATOM 1320 N LYS A 84 0.845 -12.513 -3.486 1.00 0.00 N ATOM 1321 CA LYS A 84 1.760 -12.810 -4.579 1.00 0.00 C ATOM 1322 C LYS A 84 3.159 -13.067 -4.032 1.00 0.00 C ATOM 1323 O LYS A 84 3.835 -14.021 -4.428 1.00 0.00 O ATOM 1324 CB LYS A 84 1.791 -11.652 -5.579 1.00 0.00 C ATOM 1325 CG LYS A 84 2.516 -11.983 -6.872 1.00 0.00 C ATOM 1326 CD LYS A 84 1.561 -12.520 -7.925 1.00 0.00 C ATOM 1327 CE LYS A 84 1.892 -11.977 -9.307 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.327 -12.171 -9.655 1.00 0.00 N ATOM 0 H LYS A 84 0.372 -11.613 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 84 1.410 -13.705 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.768 -11.357 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.273 -10.793 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.012 -11.089 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.294 -12.720 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.609 -13.609 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.538 -12.250 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.269 -12.474 -10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.650 -10.915 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.443 -12.128 -10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.896 -11.422 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.646 -13.099 -9.309 1.00 0.00 H new ATOM 1342 N TYR A 85 3.586 -12.213 -3.106 1.00 0.00 N ATOM 1343 CA TYR A 85 4.902 -12.367 -2.509 1.00 0.00 C ATOM 1344 C TYR A 85 5.011 -13.737 -1.854 1.00 0.00 C ATOM 1345 O TYR A 85 5.959 -14.478 -2.110 1.00 0.00 O ATOM 1346 CB TYR A 85 5.204 -11.265 -1.496 1.00 0.00 C ATOM 1347 CG TYR A 85 6.674 -10.918 -1.451 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.247 -10.132 -2.443 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.492 -11.393 -0.435 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.594 -9.826 -2.421 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.841 -11.094 -0.407 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.386 -10.310 -1.403 1.00 0.00 C ATOM 1353 OH TYR A 85 10.728 -10.012 -1.380 1.00 0.00 O ATOM 0 H TYR A 85 3.047 -11.420 -2.759 1.00 0.00 H new ATOM 0 HA TYR A 85 5.643 -12.283 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.630 -10.374 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.877 -11.584 -0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.629 -9.754 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.067 -12.006 0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.024 -9.211 -3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.465 -11.472 0.390 1.00 0.00 H new ATOM 0 HH TYR A 85 11.236 -10.811 -1.127 1.00 0.00 H new ATOM 1363 N ARG A 86 4.041 -14.073 -1.003 1.00 0.00 N ATOM 1364 CA ARG A 86 4.058 -15.361 -0.324 1.00 0.00 C ATOM 1365 C ARG A 86 4.175 -16.486 -1.341 1.00 0.00 C ATOM 1366 O ARG A 86 4.802 -17.512 -1.077 1.00 0.00 O ATOM 1367 CB ARG A 86 2.791 -15.539 0.515 1.00 0.00 C ATOM 1368 CG ARG A 86 2.906 -14.966 1.919 1.00 0.00 C ATOM 1369 CD ARG A 86 1.591 -14.360 2.384 1.00 0.00 C ATOM 1370 NE ARG A 86 0.575 -15.383 2.625 1.00 0.00 N ATOM 1371 CZ ARG A 86 -0.718 -15.118 2.792 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -1.159 -13.867 2.743 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -1.574 -16.108 3.009 1.00 0.00 N ATOM 0 H ARG A 86 3.246 -13.478 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 86 4.922 -15.393 0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.956 -15.060 0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.556 -16.601 0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.210 -15.752 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.686 -14.205 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.757 -13.790 3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.229 -13.658 1.633 1.00 0.00 H new ATOM 0 HE ARG A 86 0.875 -16.357 2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.505 -13.102 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.152 -13.671 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.241 -17.071 3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.566 -15.906 3.137 1.00 0.00 H new ATOM 1387 N ASP A 87 3.588 -16.280 -2.517 1.00 0.00 N ATOM 1388 CA ASP A 87 3.658 -17.272 -3.579 1.00 0.00 C ATOM 1389 C ASP A 87 5.097 -17.406 -4.068 1.00 0.00 C ATOM 1390 O ASP A 87 5.564 -18.505 -4.360 1.00 0.00 O ATOM 1391 CB ASP A 87 2.736 -16.886 -4.738 1.00 0.00 C ATOM 1392 CG ASP A 87 1.416 -17.630 -4.696 1.00 0.00 C ATOM 1393 OD1 ASP A 87 1.406 -18.840 -5.005 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.392 -17.002 -4.352 1.00 0.00 O ATOM 0 H ASP A 87 3.062 -15.439 -2.755 1.00 0.00 H new ATOM 0 HA ASP A 87 3.326 -18.232 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.547 -15.813 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.238 -17.094 -5.683 1.00 0.00 H new ATOM 1399 N PHE A 88 5.799 -16.276 -4.146 1.00 0.00 N ATOM 1400 CA PHE A 88 7.193 -16.269 -4.589 1.00 0.00 C ATOM 1401 C PHE A 88 8.075 -17.039 -3.607 1.00 0.00 C ATOM 1402 O PHE A 88 8.945 -17.811 -4.008 1.00 0.00 O ATOM 1403 CB PHE A 88 7.710 -14.828 -4.730 1.00 0.00 C ATOM 1404 CG PHE A 88 9.213 -14.710 -4.679 1.00 0.00 C ATOM 1405 CD1 PHE A 88 10.006 -15.437 -5.554 1.00 0.00 C ATOM 1406 CD2 PHE A 88 9.832 -13.880 -3.754 1.00 0.00 C ATOM 1407 CE1 PHE A 88 11.384 -15.341 -5.506 1.00 0.00 C ATOM 1408 CE2 PHE A 88 11.209 -13.779 -3.704 1.00 0.00 C ATOM 1409 CZ PHE A 88 11.986 -14.511 -4.580 1.00 0.00 C ATOM 0 H PHE A 88 5.427 -15.356 -3.909 1.00 0.00 H new ATOM 0 HA PHE A 88 7.238 -16.758 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.355 -14.416 -5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.280 -14.219 -3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.541 -16.086 -6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.230 -13.306 -3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.990 -15.914 -6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.677 -13.128 -2.980 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.063 -14.435 -4.541 1.00 0.00 H new ATOM 1419 N LEU A 89 7.848 -16.808 -2.319 1.00 0.00 N ATOM 1420 CA LEU A 89 8.626 -17.461 -1.272 1.00 0.00 C ATOM 1421 C LEU A 89 8.312 -18.954 -1.191 1.00 0.00 C ATOM 1422 O LEU A 89 9.219 -19.785 -1.116 1.00 0.00 O ATOM 1423 CB LEU A 89 8.353 -16.796 0.079 1.00 0.00 C ATOM 1424 CG LEU A 89 9.399 -15.771 0.519 1.00 0.00 C ATOM 1425 CD1 LEU A 89 10.762 -16.430 0.668 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.468 -14.620 -0.474 1.00 0.00 C ATOM 0 H LEU A 89 7.130 -16.172 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 89 9.681 -17.352 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.381 -16.305 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.284 -17.572 0.841 1.00 0.00 H new ATOM 0 HG LEU A 89 9.103 -15.371 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.494 -15.686 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.704 -17.220 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.066 -16.857 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.217 -13.900 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.740 -15.004 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.496 -14.131 -0.532 1.00 0.00 H new ATOM 1438 N LYS A 90 7.026 -19.288 -1.201 1.00 0.00 N ATOM 1439 CA LYS A 90 6.594 -20.681 -1.125 1.00 0.00 C ATOM 1440 C LYS A 90 6.893 -21.437 -2.417 1.00 0.00 C ATOM 1441 O LYS A 90 7.180 -22.633 -2.395 1.00 0.00 O ATOM 1442 CB LYS A 90 5.097 -20.750 -0.818 1.00 0.00 C ATOM 1443 CG LYS A 90 4.742 -20.294 0.589 1.00 0.00 C ATOM 1444 CD LYS A 90 4.227 -21.444 1.442 1.00 0.00 C ATOM 1445 CE LYS A 90 2.927 -21.083 2.142 1.00 0.00 C ATOM 1446 NZ LYS A 90 2.298 -22.266 2.790 1.00 0.00 N ATOM 0 H LYS A 90 6.263 -18.613 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 90 7.155 -21.157 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.558 -20.133 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.753 -21.775 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.621 -19.856 1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.985 -19.512 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.072 -22.322 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.979 -21.712 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.120 -20.317 2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.233 -20.653 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.414 -21.978 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.090 -22.987 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.949 -22.661 3.498 1.00 0.00 H new ATOM 1460 N SER A 91 6.808 -20.736 -3.542 1.00 0.00 N ATOM 1461 CA SER A 91 7.052 -21.346 -4.847 1.00 0.00 C ATOM 1462 C SER A 91 8.529 -21.294 -5.227 1.00 0.00 C ATOM 1463 O SER A 91 9.145 -22.327 -5.484 1.00 0.00 O ATOM 1464 CB SER A 91 6.217 -20.646 -5.921 1.00 0.00 C ATOM 1465 OG SER A 91 6.171 -21.411 -7.112 1.00 0.00 O ATOM 0 H SER A 91 6.572 -19.744 -3.578 1.00 0.00 H new ATOM 0 HA SER A 91 6.758 -22.393 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.205 -20.484 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.640 -19.664 -6.132 1.00 0.00 H new ATOM 0 HG SER A 91 5.630 -20.942 -7.781 1.00 0.00 H new ATOM 1471 N HIS A 92 9.089 -20.087 -5.255 1.00 0.00 N ATOM 1472 CA HIS A 92 10.495 -19.894 -5.603 1.00 0.00 C ATOM 1473 C HIS A 92 10.838 -20.551 -6.944 1.00 0.00 C ATOM 1474 O HIS A 92 10.859 -19.883 -7.977 1.00 0.00 O ATOM 1475 CB HIS A 92 11.400 -20.431 -4.487 1.00 0.00 C ATOM 1476 CG HIS A 92 12.550 -19.528 -4.160 1.00 0.00 C ATOM 1477 ND1 HIS A 92 12.500 -18.157 -4.308 1.00 0.00 N ATOM 1478 CD2 HIS A 92 13.790 -19.808 -3.692 1.00 0.00 C ATOM 1479 CE1 HIS A 92 13.658 -17.635 -3.947 1.00 0.00 C ATOM 1480 NE2 HIS A 92 14.457 -18.615 -3.568 1.00 0.00 N ATOM 0 H HIS A 92 8.589 -19.225 -5.040 1.00 0.00 H new ATOM 0 HA HIS A 92 10.669 -18.823 -5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.802 -20.584 -3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.787 -21.406 -4.782 1.00 0.00 H new ATOM 0 HD1 HIS A 92 11.694 -17.629 -4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.181 -20.788 -3.460 1.00 0.00 H new ATOM 0 HE1 HIS A 92 13.909 -16.585 -3.960 1.00 0.00 H new ATOM 1489 N GLU A 93 11.119 -21.854 -6.922 1.00 0.00 N ATOM 1490 CA GLU A 93 11.476 -22.595 -8.132 1.00 0.00 C ATOM 1491 C GLU A 93 10.610 -22.195 -9.327 1.00 0.00 C ATOM 1492 O GLU A 93 11.128 -21.952 -10.416 1.00 0.00 O ATOM 1493 CB GLU A 93 11.359 -24.100 -7.883 1.00 0.00 C ATOM 1494 CG GLU A 93 9.929 -24.580 -7.693 1.00 0.00 C ATOM 1495 CD GLU A 93 9.855 -25.959 -7.068 1.00 0.00 C ATOM 1496 OE1 GLU A 93 10.051 -26.953 -7.796 1.00 0.00 O ATOM 1497 OE2 GLU A 93 9.601 -26.043 -5.847 1.00 0.00 O ATOM 0 H GLU A 93 11.106 -22.421 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 93 12.509 -22.344 -8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.803 -24.634 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.940 -24.359 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.392 -23.871 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.423 -24.595 -8.659 1.00 0.00 H new ATOM 1504 N LEU A 94 9.297 -22.138 -9.110 1.00 0.00 N ATOM 1505 CA LEU A 94 8.333 -21.777 -10.158 1.00 0.00 C ATOM 1506 C LEU A 94 8.776 -22.256 -11.540 1.00 0.00 C ATOM 1507 O LEU A 94 9.541 -21.528 -12.205 1.00 0.00 O ATOM 1508 CB LEU A 94 8.087 -20.263 -10.172 1.00 0.00 C ATOM 1509 CG LEU A 94 9.303 -19.392 -10.506 1.00 0.00 C ATOM 1510 CD1 LEU A 94 9.224 -18.887 -11.940 1.00 0.00 C ATOM 1511 CD2 LEU A 94 9.403 -18.222 -9.538 1.00 0.00 C ATOM 1512 OXT LEU A 94 8.354 -23.360 -11.945 1.00 0.00 O ATOM 0 H LEU A 94 8.868 -22.339 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 94 7.399 -22.286 -9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.301 -20.049 -10.896 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.709 -19.966 -9.194 1.00 0.00 H new ATOM 0 HG LEU A 94 10.199 -20.004 -10.405 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.096 -18.271 -12.157 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.200 -19.736 -12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.319 -18.293 -12.067 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.272 -17.614 -9.790 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.502 -17.613 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.507 -18.599 -8.521 1.00 0.00 H new TER 1524 LEU A 94