USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 MET CE :methyl -132:sc= -0.0291 (180deg=-0.075) USER MOD Set 1.2: A 33 SER OG : rot -150:sc= -0.0202 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0993 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.109 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 122:sc= 0.646 USER MOD Single : A 16 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.78) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.631 K(o=0.63,f=-3.3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= -1.41 (180deg=-3.5!) USER MOD Single : A 44 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.416 K(o=-0.42,f=-4.2!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 12:sc= -6.28! USER MOD Single : A 51 TYR OH : rot -156:sc= -2.02 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 71:sc= 0.0142 USER MOD Single : A 61 THR OG1 : rot -150:sc= -1.13 USER MOD Single : A 65 THR OG1 : rot -163:sc= -5.79! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 42:sc= 0.412 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.281 -3.778 -19.129 1.00 0.00 N ATOM 2 CA GLY A 1 12.039 -3.856 -17.892 1.00 0.00 C ATOM 3 C GLY A 1 11.672 -2.708 -16.950 1.00 0.00 C ATOM 4 O GLY A 1 10.965 -1.780 -17.342 1.00 0.00 O ATOM 0 H1 GLY A 1 10.700 -4.634 -19.235 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.664 -2.941 -19.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.936 -3.703 -19.933 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.844 -4.810 -17.402 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.106 -3.823 -18.113 1.00 0.00 H new ATOM 8 N SER A 2 12.169 -2.807 -15.726 1.00 0.00 N ATOM 9 CA SER A 2 11.902 -1.788 -14.725 1.00 0.00 C ATOM 10 C SER A 2 12.917 -1.895 -13.585 1.00 0.00 C ATOM 11 O SER A 2 13.641 -0.942 -13.303 1.00 0.00 O ATOM 12 CB SER A 2 10.477 -1.911 -14.180 1.00 0.00 C ATOM 13 OG SER A 2 9.604 -0.937 -14.745 1.00 0.00 O ATOM 0 H SER A 2 12.755 -3.577 -15.405 1.00 0.00 H new ATOM 0 HA SER A 2 11.998 -0.811 -15.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.093 -2.909 -14.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.492 -1.799 -13.096 1.00 0.00 H new ATOM 0 HG SER A 2 9.738 -0.901 -15.715 1.00 0.00 H new ATOM 19 N SER A 3 12.937 -3.064 -12.961 1.00 0.00 N ATOM 20 CA SER A 3 13.852 -3.308 -11.859 1.00 0.00 C ATOM 21 C SER A 3 13.666 -4.731 -11.330 1.00 0.00 C ATOM 22 O SER A 3 12.556 -5.124 -10.971 1.00 0.00 O ATOM 23 CB SER A 3 13.642 -2.292 -10.734 1.00 0.00 C ATOM 24 OG SER A 3 14.837 -1.578 -10.430 1.00 0.00 O ATOM 0 H SER A 3 12.334 -3.852 -13.198 1.00 0.00 H new ATOM 0 HA SER A 3 14.871 -3.195 -12.229 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.862 -1.587 -11.023 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.291 -2.808 -9.840 1.00 0.00 H new ATOM 0 HG SER A 3 14.661 -0.938 -9.709 1.00 0.00 H new ATOM 30 N GLY A 4 14.768 -5.465 -11.298 1.00 0.00 N ATOM 31 CA GLY A 4 14.740 -6.837 -10.818 1.00 0.00 C ATOM 32 C GLY A 4 15.593 -6.994 -9.558 1.00 0.00 C ATOM 33 O GLY A 4 15.939 -6.007 -8.911 1.00 0.00 O ATOM 0 H GLY A 4 15.686 -5.136 -11.596 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.712 -7.131 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.108 -7.506 -11.596 1.00 0.00 H new ATOM 37 N SER A 5 15.907 -8.244 -9.247 1.00 0.00 N ATOM 38 CA SER A 5 16.712 -8.543 -8.075 1.00 0.00 C ATOM 39 C SER A 5 16.199 -7.752 -6.871 1.00 0.00 C ATOM 40 O SER A 5 16.669 -6.647 -6.604 1.00 0.00 O ATOM 41 CB SER A 5 18.188 -8.229 -8.327 1.00 0.00 C ATOM 42 OG SER A 5 18.979 -9.411 -8.409 1.00 0.00 O ATOM 0 H SER A 5 15.618 -9.060 -9.786 1.00 0.00 H new ATOM 0 HA SER A 5 16.626 -9.609 -7.864 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.285 -7.663 -9.253 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.566 -7.595 -7.525 1.00 0.00 H new ATOM 0 HG SER A 5 19.914 -9.168 -8.572 1.00 0.00 H new ATOM 48 N SER A 6 15.241 -8.348 -6.176 1.00 0.00 N ATOM 49 CA SER A 6 14.659 -7.713 -5.006 1.00 0.00 C ATOM 50 C SER A 6 15.560 -7.932 -3.789 1.00 0.00 C ATOM 51 O SER A 6 16.508 -8.714 -3.846 1.00 0.00 O ATOM 52 CB SER A 6 13.253 -8.249 -4.730 1.00 0.00 C ATOM 53 OG SER A 6 12.309 -7.199 -4.540 1.00 0.00 O ATOM 0 H SER A 6 14.853 -9.264 -6.401 1.00 0.00 H new ATOM 0 HA SER A 6 14.578 -6.644 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.934 -8.877 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.274 -8.882 -3.843 1.00 0.00 H new ATOM 0 HG SER A 6 11.424 -7.582 -4.368 1.00 0.00 H new ATOM 59 N GLY A 7 15.232 -7.228 -2.715 1.00 0.00 N ATOM 60 CA GLY A 7 15.999 -7.336 -1.486 1.00 0.00 C ATOM 61 C GLY A 7 15.078 -7.346 -0.264 1.00 0.00 C ATOM 62 O GLY A 7 14.242 -8.237 -0.120 1.00 0.00 O ATOM 0 H GLY A 7 14.445 -6.581 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.595 -8.248 -1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.696 -6.501 -1.414 1.00 0.00 H new ATOM 66 N GLY A 8 15.263 -6.346 0.584 1.00 0.00 N ATOM 67 CA GLY A 8 14.460 -6.228 1.789 1.00 0.00 C ATOM 68 C GLY A 8 13.546 -5.003 1.722 1.00 0.00 C ATOM 69 O GLY A 8 13.608 -4.130 2.586 1.00 0.00 O ATOM 0 H GLY A 8 15.958 -5.609 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.859 -7.128 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.112 -6.152 2.659 1.00 0.00 H new ATOM 73 N THR A 9 12.720 -4.977 0.687 1.00 0.00 N ATOM 74 CA THR A 9 11.795 -3.873 0.496 1.00 0.00 C ATOM 75 C THR A 9 10.555 -4.342 -0.268 1.00 0.00 C ATOM 76 O THR A 9 10.484 -5.493 -0.696 1.00 0.00 O ATOM 77 CB THR A 9 12.548 -2.741 -0.205 1.00 0.00 C ATOM 78 OG1 THR A 9 13.258 -3.394 -1.255 1.00 0.00 O ATOM 79 CG2 THR A 9 13.649 -2.139 0.671 1.00 0.00 C ATOM 0 H THR A 9 12.672 -5.703 -0.028 1.00 0.00 H new ATOM 0 HA THR A 9 11.427 -3.496 1.450 1.00 0.00 H new ATOM 0 HB THR A 9 11.844 -1.960 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.773 -2.732 -1.763 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.152 -1.340 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.209 -1.735 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.372 -2.913 0.930 1.00 0.00 H new ATOM 87 N VAL A 10 9.609 -3.426 -0.417 1.00 0.00 N ATOM 88 CA VAL A 10 8.376 -3.731 -1.122 1.00 0.00 C ATOM 89 C VAL A 10 7.970 -2.529 -1.976 1.00 0.00 C ATOM 90 O VAL A 10 8.306 -1.391 -1.651 1.00 0.00 O ATOM 91 CB VAL A 10 7.293 -4.149 -0.125 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.921 -4.214 -0.800 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.642 -5.484 0.537 1.00 0.00 C ATOM 0 H VAL A 10 9.672 -2.472 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 10 8.521 -4.574 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 10 7.247 -3.390 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.170 -4.513 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.666 -3.233 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.949 -4.942 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.856 -5.758 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.730 -6.257 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.589 -5.390 1.069 1.00 0.00 H new ATOM 103 N LYS A 11 7.253 -2.822 -3.051 1.00 0.00 N ATOM 104 CA LYS A 11 6.799 -1.778 -3.954 1.00 0.00 C ATOM 105 C LYS A 11 5.406 -1.310 -3.526 1.00 0.00 C ATOM 106 O LYS A 11 4.500 -2.123 -3.352 1.00 0.00 O ATOM 107 CB LYS A 11 6.866 -2.259 -5.405 1.00 0.00 C ATOM 108 CG LYS A 11 7.255 -1.115 -6.344 1.00 0.00 C ATOM 109 CD LYS A 11 7.127 -1.540 -7.808 1.00 0.00 C ATOM 110 CE LYS A 11 8.452 -2.093 -8.336 1.00 0.00 C ATOM 111 NZ LYS A 11 8.244 -2.797 -9.621 1.00 0.00 N ATOM 0 H LYS A 11 6.975 -3.767 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 11 7.459 -0.912 -3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.592 -3.068 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.899 -2.666 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.617 -0.252 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.280 -0.805 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.349 -2.297 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.818 -0.687 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.164 -1.279 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.884 -2.777 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.153 -3.166 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.581 -3.586 -9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.852 -2.135 -10.320 1.00 0.00 H new ATOM 125 N VAL A 12 5.280 -0.001 -3.367 1.00 0.00 N ATOM 126 CA VAL A 12 4.014 0.586 -2.962 1.00 0.00 C ATOM 127 C VAL A 12 3.473 1.455 -4.099 1.00 0.00 C ATOM 128 O VAL A 12 4.092 2.450 -4.473 1.00 0.00 O ATOM 129 CB VAL A 12 4.189 1.355 -1.651 1.00 0.00 C ATOM 130 CG1 VAL A 12 3.004 2.290 -1.402 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.388 0.397 -0.475 1.00 0.00 C ATOM 0 H VAL A 12 6.034 0.670 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 12 3.276 -0.193 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 12 5.086 1.967 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.153 2.825 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.928 3.006 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.085 1.706 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.510 0.970 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.518 -0.254 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.278 -0.209 -0.646 1.00 0.00 H new ATOM 141 N TYR A 13 2.323 1.049 -4.616 1.00 0.00 N ATOM 142 CA TYR A 13 1.692 1.779 -5.703 1.00 0.00 C ATOM 143 C TYR A 13 0.751 2.859 -5.164 1.00 0.00 C ATOM 144 O TYR A 13 -0.294 2.549 -4.594 1.00 0.00 O ATOM 145 CB TYR A 13 0.872 0.749 -6.482 1.00 0.00 C ATOM 146 CG TYR A 13 1.719 -0.241 -7.286 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.786 0.213 -8.034 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.416 -1.587 -7.262 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.583 -0.718 -8.790 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.212 -2.518 -8.018 1.00 0.00 C ATOM 151 CZ TYR A 13 3.257 -2.038 -8.745 1.00 0.00 C ATOM 152 OH TYR A 13 4.009 -2.917 -9.459 1.00 0.00 O ATOM 0 H TYR A 13 1.811 0.224 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 13 2.443 2.271 -6.322 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.247 0.193 -5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.201 1.273 -7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.023 1.266 -8.052 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.581 -1.942 -6.676 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.421 -0.376 -9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.985 -3.574 -8.008 1.00 0.00 H new ATOM 0 HH TYR A 13 4.389 -3.588 -8.855 1.00 0.00 H new ATOM 162 N LEU A 14 1.157 4.104 -5.363 1.00 0.00 N ATOM 163 CA LEU A 14 0.363 5.232 -4.905 1.00 0.00 C ATOM 164 C LEU A 14 -0.728 5.534 -5.933 1.00 0.00 C ATOM 165 O LEU A 14 -0.659 5.071 -7.071 1.00 0.00 O ATOM 166 CB LEU A 14 1.263 6.429 -4.593 1.00 0.00 C ATOM 167 CG LEU A 14 1.815 6.501 -3.168 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.062 7.385 -3.107 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.737 6.962 -2.185 1.00 0.00 C ATOM 0 H LEU A 14 2.025 4.357 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.140 4.988 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.104 6.416 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.701 7.342 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 14 2.117 5.498 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.434 7.419 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.832 6.973 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.810 8.393 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.156 7.005 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.382 7.952 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.096 6.259 -2.202 1.00 0.00 H new ATOM 181 N PRO A 15 -1.736 6.329 -5.485 1.00 0.00 N ATOM 182 CA PRO A 15 -2.841 6.699 -6.354 1.00 0.00 C ATOM 183 C PRO A 15 -2.409 7.759 -7.369 1.00 0.00 C ATOM 184 O PRO A 15 -3.163 8.092 -8.282 1.00 0.00 O ATOM 185 CB PRO A 15 -3.934 7.184 -5.416 1.00 0.00 C ATOM 186 CG PRO A 15 -3.242 7.507 -4.101 1.00 0.00 C ATOM 187 CD PRO A 15 -1.851 6.895 -4.144 1.00 0.00 C ATOM 0 HA PRO A 15 -3.197 5.866 -6.961 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.434 8.064 -5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.698 6.419 -5.278 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.180 8.586 -3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.810 7.105 -3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.082 7.646 -3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.732 6.128 -3.379 1.00 0.00 H new ATOM 195 N ASN A 16 -1.198 8.260 -7.174 1.00 0.00 N ATOM 196 CA ASN A 16 -0.657 9.276 -8.061 1.00 0.00 C ATOM 197 C ASN A 16 0.118 8.598 -9.193 1.00 0.00 C ATOM 198 O ASN A 16 1.189 9.063 -9.582 1.00 0.00 O ATOM 199 CB ASN A 16 0.306 10.201 -7.316 1.00 0.00 C ATOM 200 CG ASN A 16 0.031 11.668 -7.655 1.00 0.00 C ATOM 201 OD1 ASN A 16 -0.780 12.334 -7.034 1.00 0.00 O ATOM 202 ND2 ASN A 16 0.751 12.131 -8.674 1.00 0.00 N ATOM 0 H ASN A 16 -0.576 7.981 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.490 9.862 -8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.205 10.047 -6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.334 9.950 -7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.641 13.098 -8.978 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.413 11.519 -9.150 1.00 0.00 H new ATOM 209 N LYS A 17 -0.452 7.510 -9.689 1.00 0.00 N ATOM 210 CA LYS A 17 0.172 6.764 -10.768 1.00 0.00 C ATOM 211 C LYS A 17 1.676 6.659 -10.506 1.00 0.00 C ATOM 212 O LYS A 17 2.468 6.566 -11.443 1.00 0.00 O ATOM 213 CB LYS A 17 -0.174 7.388 -12.122 1.00 0.00 C ATOM 214 CG LYS A 17 -1.612 7.058 -12.526 1.00 0.00 C ATOM 215 CD LYS A 17 -2.003 7.793 -13.810 1.00 0.00 C ATOM 216 CE LYS A 17 -3.362 8.480 -13.656 1.00 0.00 C ATOM 217 NZ LYS A 17 -3.283 9.890 -14.099 1.00 0.00 N ATOM 0 H LYS A 17 -1.340 7.127 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.218 5.747 -10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.046 8.469 -12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.515 7.020 -12.883 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.715 5.983 -12.672 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.293 7.337 -11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.242 8.534 -14.055 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.040 7.088 -14.640 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.113 7.950 -14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.682 8.437 -12.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.213 10.341 -13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.581 10.396 -13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.999 9.924 -15.099 1.00 0.00 H new ATOM 231 N GLN A 18 2.025 6.677 -9.228 1.00 0.00 N ATOM 232 CA GLN A 18 3.419 6.584 -8.831 1.00 0.00 C ATOM 233 C GLN A 18 3.631 5.378 -7.915 1.00 0.00 C ATOM 234 O GLN A 18 2.669 4.751 -7.475 1.00 0.00 O ATOM 235 CB GLN A 18 3.883 7.876 -8.154 1.00 0.00 C ATOM 236 CG GLN A 18 4.219 8.949 -9.192 1.00 0.00 C ATOM 237 CD GLN A 18 5.462 9.740 -8.780 1.00 0.00 C ATOM 238 OE1 GLN A 18 5.403 10.914 -8.455 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.588 9.033 -8.810 1.00 0.00 N ATOM 0 H GLN A 18 1.366 6.755 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 18 4.024 6.445 -9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.102 8.242 -7.487 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.759 7.674 -7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.386 8.482 -10.162 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.373 9.627 -9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.567 8.053 -9.092 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.472 9.471 -8.551 1.00 0.00 H new ATOM 248 N ARG A 19 4.898 5.089 -7.654 1.00 0.00 N ATOM 249 CA ARG A 19 5.249 3.969 -6.798 1.00 0.00 C ATOM 250 C ARG A 19 6.434 4.336 -5.902 1.00 0.00 C ATOM 251 O ARG A 19 7.268 5.158 -6.277 1.00 0.00 O ATOM 252 CB ARG A 19 5.608 2.733 -7.626 1.00 0.00 C ATOM 253 CG ARG A 19 6.713 3.053 -8.635 1.00 0.00 C ATOM 254 CD ARG A 19 7.886 2.082 -8.489 1.00 0.00 C ATOM 255 NE ARG A 19 9.167 2.819 -8.570 1.00 0.00 N ATOM 256 CZ ARG A 19 9.724 3.232 -9.717 1.00 0.00 C ATOM 257 NH1 ARG A 19 9.118 2.982 -10.885 1.00 0.00 N ATOM 258 NH2 ARG A 19 10.889 3.895 -9.695 1.00 0.00 N ATOM 0 H ARG A 19 5.694 5.611 -8.021 1.00 0.00 H new ATOM 0 HA ARG A 19 4.380 3.739 -6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.935 1.930 -6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.723 2.373 -8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.313 2.997 -9.648 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.061 4.075 -8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.818 1.558 -7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.842 1.325 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 19 9.656 3.025 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.232 2.477 -10.902 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.543 3.297 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.351 4.085 -8.806 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.313 4.210 -10.568 1.00 0.00 H new ATOM 272 N THR A 20 6.470 3.708 -4.735 1.00 0.00 N ATOM 273 CA THR A 20 7.538 3.959 -3.784 1.00 0.00 C ATOM 274 C THR A 20 7.953 2.658 -3.092 1.00 0.00 C ATOM 275 O THR A 20 7.102 1.862 -2.699 1.00 0.00 O ATOM 276 CB THR A 20 7.061 5.039 -2.811 1.00 0.00 C ATOM 277 OG1 THR A 20 8.263 5.537 -2.229 1.00 0.00 O ATOM 278 CG2 THR A 20 6.287 4.459 -1.625 1.00 0.00 C ATOM 0 H THR A 20 5.776 3.026 -4.428 1.00 0.00 H new ATOM 0 HA THR A 20 8.435 4.325 -4.284 1.00 0.00 H new ATOM 0 HB THR A 20 6.431 5.753 -3.342 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.047 6.244 -1.586 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.972 5.268 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.410 3.925 -1.989 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.928 3.771 -1.074 1.00 0.00 H new ATOM 286 N VAL A 21 9.260 2.483 -2.965 1.00 0.00 N ATOM 287 CA VAL A 21 9.797 1.293 -2.328 1.00 0.00 C ATOM 288 C VAL A 21 9.884 1.523 -0.818 1.00 0.00 C ATOM 289 O VAL A 21 10.507 2.484 -0.368 1.00 0.00 O ATOM 290 CB VAL A 21 11.144 0.926 -2.956 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.412 -0.575 -2.839 1.00 0.00 C ATOM 292 CG2 VAL A 21 11.212 1.384 -4.414 1.00 0.00 C ATOM 0 H VAL A 21 9.963 3.146 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 21 9.136 0.442 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 21 11.925 1.449 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.375 -0.809 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.427 -0.861 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.625 -1.126 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.179 1.111 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.418 0.902 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.088 2.466 -4.462 1.00 0.00 H new ATOM 302 N VAL A 22 9.251 0.626 -0.078 1.00 0.00 N ATOM 303 CA VAL A 22 9.249 0.719 1.372 1.00 0.00 C ATOM 304 C VAL A 22 10.076 -0.429 1.954 1.00 0.00 C ATOM 305 O VAL A 22 10.247 -1.464 1.311 1.00 0.00 O ATOM 306 CB VAL A 22 7.810 0.742 1.893 1.00 0.00 C ATOM 307 CG1 VAL A 22 7.777 0.996 3.402 1.00 0.00 C ATOM 308 CG2 VAL A 22 6.973 1.780 1.144 1.00 0.00 C ATOM 0 H VAL A 22 8.736 -0.169 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 22 9.713 1.651 1.695 1.00 0.00 H new ATOM 0 HB VAL A 22 7.371 -0.239 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.743 1.007 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.322 0.204 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.243 1.957 3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.955 1.776 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.411 2.769 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.956 1.536 0.082 1.00 0.00 H new ATOM 318 N THR A 23 10.569 -0.208 3.164 1.00 0.00 N ATOM 319 CA THR A 23 11.374 -1.211 3.839 1.00 0.00 C ATOM 320 C THR A 23 10.484 -2.144 4.662 1.00 0.00 C ATOM 321 O THR A 23 9.548 -1.694 5.321 1.00 0.00 O ATOM 322 CB THR A 23 12.430 -0.485 4.675 1.00 0.00 C ATOM 323 OG1 THR A 23 13.133 0.315 3.728 1.00 0.00 O ATOM 324 CG2 THR A 23 13.496 -1.434 5.226 1.00 0.00 C ATOM 0 H THR A 23 10.426 0.652 3.694 1.00 0.00 H new ATOM 0 HA THR A 23 11.889 -1.852 3.123 1.00 0.00 H new ATOM 0 HB THR A 23 11.944 0.033 5.502 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.836 0.822 4.186 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.220 -0.867 5.811 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.023 -2.183 5.861 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.005 -1.929 4.399 1.00 0.00 H new ATOM 332 N VAL A 24 10.808 -3.427 4.597 1.00 0.00 N ATOM 333 CA VAL A 24 10.049 -4.428 5.328 1.00 0.00 C ATOM 334 C VAL A 24 10.640 -4.586 6.730 1.00 0.00 C ATOM 335 O VAL A 24 11.744 -5.105 6.888 1.00 0.00 O ATOM 336 CB VAL A 24 10.019 -5.740 4.541 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.752 -6.539 4.854 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.146 -5.481 3.038 1.00 0.00 C ATOM 0 H VAL A 24 11.585 -3.796 4.050 1.00 0.00 H new ATOM 0 HA VAL A 24 9.013 -4.111 5.445 1.00 0.00 H new ATOM 0 HB VAL A 24 10.877 -6.336 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.756 -7.467 4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.721 -6.770 5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.875 -5.950 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.122 -6.430 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.318 -4.855 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.089 -4.973 2.835 1.00 0.00 H new ATOM 348 N ARG A 25 9.878 -4.129 7.713 1.00 0.00 N ATOM 349 CA ARG A 25 10.313 -4.213 9.097 1.00 0.00 C ATOM 350 C ARG A 25 9.710 -5.449 9.769 1.00 0.00 C ATOM 351 O ARG A 25 10.310 -6.021 10.677 1.00 0.00 O ATOM 352 CB ARG A 25 9.902 -2.964 9.880 1.00 0.00 C ATOM 353 CG ARG A 25 10.385 -1.694 9.178 1.00 0.00 C ATOM 354 CD ARG A 25 11.322 -0.890 10.083 1.00 0.00 C ATOM 355 NE ARG A 25 12.388 -1.768 10.614 1.00 0.00 N ATOM 356 CZ ARG A 25 13.512 -1.320 11.192 1.00 0.00 C ATOM 357 NH1 ARG A 25 13.722 -0.003 11.315 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.425 -2.190 11.645 1.00 0.00 N ATOM 0 H ARG A 25 8.963 -3.700 7.579 1.00 0.00 H new ATOM 0 HA ARG A 25 11.400 -4.288 9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.817 -2.936 9.984 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.318 -3.008 10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.902 -1.958 8.256 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.529 -1.080 8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.764 -0.066 9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.758 -0.450 10.906 1.00 0.00 H new ATOM 0 HE ARG A 25 12.260 -2.777 10.536 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.027 0.659 10.969 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.577 0.338 11.755 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.265 -3.193 11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.280 -1.849 12.085 1.00 0.00 H new ATOM 372 N ASP A 26 8.530 -5.823 9.296 1.00 0.00 N ATOM 373 CA ASP A 26 7.839 -6.980 9.840 1.00 0.00 C ATOM 374 C ASP A 26 7.562 -6.752 11.327 1.00 0.00 C ATOM 375 O ASP A 26 8.491 -6.642 12.125 1.00 0.00 O ATOM 376 CB ASP A 26 8.692 -8.244 9.707 1.00 0.00 C ATOM 377 CG ASP A 26 8.895 -8.738 8.273 1.00 0.00 C ATOM 378 OD1 ASP A 26 8.538 -7.973 7.352 1.00 0.00 O ATOM 379 OD2 ASP A 26 9.404 -9.871 8.131 1.00 0.00 O ATOM 0 H ASP A 26 8.035 -5.346 8.543 1.00 0.00 H new ATOM 0 HA ASP A 26 6.911 -7.110 9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.669 -8.054 10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.227 -9.041 10.288 1.00 0.00 H new ATOM 384 N GLY A 27 6.280 -6.687 11.654 1.00 0.00 N ATOM 385 CA GLY A 27 5.868 -6.473 13.031 1.00 0.00 C ATOM 386 C GLY A 27 4.968 -5.242 13.150 1.00 0.00 C ATOM 387 O GLY A 27 3.813 -5.350 13.559 1.00 0.00 O ATOM 0 H GLY A 27 5.512 -6.779 10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.337 -7.352 13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.748 -6.347 13.662 1.00 0.00 H new ATOM 391 N MET A 28 5.531 -4.099 12.784 1.00 0.00 N ATOM 392 CA MET A 28 4.793 -2.849 12.844 1.00 0.00 C ATOM 393 C MET A 28 3.497 -2.937 12.036 1.00 0.00 C ATOM 394 O MET A 28 3.319 -3.858 11.240 1.00 0.00 O ATOM 395 CB MET A 28 5.662 -1.716 12.294 1.00 0.00 C ATOM 396 CG MET A 28 6.038 -1.974 10.833 1.00 0.00 C ATOM 397 SD MET A 28 7.358 -0.878 10.340 1.00 0.00 S ATOM 398 CE MET A 28 6.431 0.626 10.079 1.00 0.00 C ATOM 0 H MET A 28 6.489 -4.013 12.445 1.00 0.00 H new ATOM 0 HA MET A 28 4.537 -2.650 13.885 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.126 -0.770 12.374 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.566 -1.622 12.895 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.349 -3.011 10.707 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.169 -1.821 10.193 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.710 1.064 9.121 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.365 0.401 10.078 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.651 1.333 10.879 1.00 0.00 H new ATOM 408 N SER A 29 2.625 -1.967 12.268 1.00 0.00 N ATOM 409 CA SER A 29 1.351 -1.923 11.571 1.00 0.00 C ATOM 410 C SER A 29 1.554 -1.423 10.139 1.00 0.00 C ATOM 411 O SER A 29 2.648 -0.992 9.778 1.00 0.00 O ATOM 412 CB SER A 29 0.351 -1.030 12.308 1.00 0.00 C ATOM 413 OG SER A 29 0.483 -1.135 13.723 1.00 0.00 O ATOM 0 H SER A 29 2.776 -1.205 12.929 1.00 0.00 H new ATOM 0 HA SER A 29 0.943 -2.933 11.541 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.500 0.007 12.006 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.663 -1.304 12.017 1.00 0.00 H new ATOM 0 HG SER A 29 -0.171 -0.549 14.157 1.00 0.00 H new ATOM 419 N VAL A 30 0.483 -1.497 9.363 1.00 0.00 N ATOM 420 CA VAL A 30 0.530 -1.058 7.979 1.00 0.00 C ATOM 421 C VAL A 30 0.326 0.458 7.922 1.00 0.00 C ATOM 422 O VAL A 30 0.792 1.116 6.994 1.00 0.00 O ATOM 423 CB VAL A 30 -0.497 -1.830 7.149 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.455 -1.397 5.682 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.285 -3.340 7.281 1.00 0.00 C ATOM 0 H VAL A 30 -0.423 -1.855 9.667 1.00 0.00 H new ATOM 0 HA VAL A 30 1.506 -1.272 7.544 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.487 -1.595 7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.195 -1.962 5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.678 -0.332 5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.538 -1.588 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.028 -3.866 6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.714 -3.599 6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.390 -3.632 8.326 1.00 0.00 H new ATOM 435 N TYR A 31 -0.371 0.967 8.927 1.00 0.00 N ATOM 436 CA TYR A 31 -0.643 2.392 9.004 1.00 0.00 C ATOM 437 C TYR A 31 0.657 3.194 9.097 1.00 0.00 C ATOM 438 O TYR A 31 0.935 4.033 8.242 1.00 0.00 O ATOM 439 CB TYR A 31 -1.449 2.599 10.287 1.00 0.00 C ATOM 440 CG TYR A 31 -1.524 4.057 10.746 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.556 4.566 11.588 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.560 4.863 10.319 1.00 0.00 C ATOM 443 CE1 TYR A 31 -0.626 5.938 12.020 1.00 0.00 C ATOM 444 CE2 TYR A 31 -2.630 6.235 10.751 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.660 6.705 11.580 1.00 0.00 C ATOM 446 OH TYR A 31 -1.726 8.000 11.988 1.00 0.00 O ATOM 0 H TYR A 31 -0.756 0.417 9.695 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.178 2.729 8.116 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.461 2.225 10.133 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.006 2.000 11.083 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.254 3.935 11.923 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.318 4.465 9.661 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.125 6.349 12.678 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.435 6.876 10.424 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.516 8.427 11.595 1.00 0.00 H new ATOM 456 N ASP A 32 1.419 2.906 10.142 1.00 0.00 N ATOM 457 CA ASP A 32 2.682 3.589 10.358 1.00 0.00 C ATOM 458 C ASP A 32 3.615 3.312 9.177 1.00 0.00 C ATOM 459 O ASP A 32 4.515 4.101 8.894 1.00 0.00 O ATOM 460 CB ASP A 32 3.369 3.089 11.630 1.00 0.00 C ATOM 461 CG ASP A 32 2.835 3.690 12.932 1.00 0.00 C ATOM 462 OD1 ASP A 32 2.617 4.921 12.941 1.00 0.00 O ATOM 463 OD2 ASP A 32 2.657 2.905 13.888 1.00 0.00 O ATOM 0 H ASP A 32 1.185 2.208 10.848 1.00 0.00 H new ATOM 0 HA ASP A 32 2.476 4.655 10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.266 2.005 11.679 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.435 3.305 11.558 1.00 0.00 H new ATOM 468 N SER A 33 3.368 2.188 8.520 1.00 0.00 N ATOM 469 CA SER A 33 4.175 1.797 7.377 1.00 0.00 C ATOM 470 C SER A 33 3.792 2.635 6.155 1.00 0.00 C ATOM 471 O SER A 33 4.616 3.379 5.625 1.00 0.00 O ATOM 472 CB SER A 33 4.011 0.307 7.071 1.00 0.00 C ATOM 473 OG SER A 33 5.118 -0.459 7.540 1.00 0.00 O ATOM 0 H SER A 33 2.621 1.536 8.758 1.00 0.00 H new ATOM 0 HA SER A 33 5.222 1.977 7.620 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.095 -0.059 7.533 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.903 0.167 5.995 1.00 0.00 H new ATOM 0 HG SER A 33 5.241 -1.243 6.964 1.00 0.00 H new ATOM 479 N LEU A 34 2.542 2.486 5.743 1.00 0.00 N ATOM 480 CA LEU A 34 2.039 3.219 4.594 1.00 0.00 C ATOM 481 C LEU A 34 1.909 4.700 4.957 1.00 0.00 C ATOM 482 O LEU A 34 1.672 5.537 4.087 1.00 0.00 O ATOM 483 CB LEU A 34 0.739 2.594 4.085 1.00 0.00 C ATOM 484 CG LEU A 34 0.889 1.516 3.010 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.549 2.084 1.752 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.643 0.300 3.553 1.00 0.00 C ATOM 0 H LEU A 34 1.862 1.868 6.185 1.00 0.00 H new ATOM 0 HA LEU A 34 2.742 3.154 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.210 2.161 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.108 3.389 3.688 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.107 1.177 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.644 1.297 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.936 2.892 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.538 2.468 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.736 -0.451 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.636 0.605 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.095 -0.121 4.396 1.00 0.00 H new ATOM 498 N ASP A 35 2.069 4.978 6.242 1.00 0.00 N ATOM 499 CA ASP A 35 1.972 6.343 6.731 1.00 0.00 C ATOM 500 C ASP A 35 2.789 7.264 5.823 1.00 0.00 C ATOM 501 O ASP A 35 2.227 8.052 5.064 1.00 0.00 O ATOM 502 CB ASP A 35 2.530 6.461 8.150 1.00 0.00 C ATOM 503 CG ASP A 35 2.784 7.892 8.628 1.00 0.00 C ATOM 504 OD1 ASP A 35 3.882 8.406 8.323 1.00 0.00 O ATOM 505 OD2 ASP A 35 1.874 8.439 9.288 1.00 0.00 O ATOM 0 H ASP A 35 2.265 4.281 6.960 1.00 0.00 H new ATOM 0 HA ASP A 35 0.920 6.626 6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.834 5.982 8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.466 5.905 8.204 1.00 0.00 H new ATOM 510 N LYS A 36 4.103 7.134 5.931 1.00 0.00 N ATOM 511 CA LYS A 36 5.004 7.945 5.129 1.00 0.00 C ATOM 512 C LYS A 36 4.574 7.878 3.662 1.00 0.00 C ATOM 513 O LYS A 36 4.383 8.910 3.020 1.00 0.00 O ATOM 514 CB LYS A 36 6.456 7.524 5.364 1.00 0.00 C ATOM 515 CG LYS A 36 7.367 8.747 5.489 1.00 0.00 C ATOM 516 CD LYS A 36 8.654 8.557 4.683 1.00 0.00 C ATOM 517 CE LYS A 36 8.565 9.273 3.333 1.00 0.00 C ATOM 518 NZ LYS A 36 9.911 9.688 2.878 1.00 0.00 N ATOM 0 H LYS A 36 4.566 6.479 6.562 1.00 0.00 H new ATOM 0 HA LYS A 36 4.947 8.991 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.522 6.923 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.795 6.896 4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.841 9.634 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.612 8.917 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.502 8.943 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.834 7.494 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.112 8.613 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.918 10.146 3.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.833 10.172 1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.330 10.335 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.517 8.849 2.776 1.00 0.00 H new ATOM 532 N ALA A 37 4.433 6.654 3.175 1.00 0.00 N ATOM 533 CA ALA A 37 4.029 6.440 1.796 1.00 0.00 C ATOM 534 C ALA A 37 2.916 7.426 1.436 1.00 0.00 C ATOM 535 O ALA A 37 2.797 7.840 0.284 1.00 0.00 O ATOM 536 CB ALA A 37 3.601 4.983 1.610 1.00 0.00 C ATOM 0 H ALA A 37 4.591 5.801 3.711 1.00 0.00 H new ATOM 0 HA ALA A 37 4.863 6.624 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.298 4.822 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.436 4.325 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.764 4.762 2.272 1.00 0.00 H new ATOM 542 N LEU A 38 2.128 7.773 2.443 1.00 0.00 N ATOM 543 CA LEU A 38 1.028 8.702 2.247 1.00 0.00 C ATOM 544 C LEU A 38 1.512 10.125 2.531 1.00 0.00 C ATOM 545 O LEU A 38 1.394 11.006 1.681 1.00 0.00 O ATOM 546 CB LEU A 38 -0.181 8.285 3.086 1.00 0.00 C ATOM 547 CG LEU A 38 -0.845 6.963 2.695 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.122 6.730 3.506 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.105 6.905 1.188 1.00 0.00 C ATOM 0 H LEU A 38 2.229 7.427 3.397 1.00 0.00 H new ATOM 0 HA LEU A 38 0.691 8.680 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.131 8.218 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.929 9.076 3.027 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.158 6.151 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.574 5.784 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.878 6.698 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.825 7.542 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.577 5.955 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.763 7.725 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.160 6.993 0.652 1.00 0.00 H new ATOM 561 N LYS A 39 2.048 10.306 3.729 1.00 0.00 N ATOM 562 CA LYS A 39 2.550 11.608 4.136 1.00 0.00 C ATOM 563 C LYS A 39 3.341 12.227 2.981 1.00 0.00 C ATOM 564 O LYS A 39 3.141 13.393 2.643 1.00 0.00 O ATOM 565 CB LYS A 39 3.349 11.491 5.435 1.00 0.00 C ATOM 566 CG LYS A 39 2.531 10.789 6.521 1.00 0.00 C ATOM 567 CD LYS A 39 1.053 11.175 6.430 1.00 0.00 C ATOM 568 CE LYS A 39 0.860 12.671 6.687 1.00 0.00 C ATOM 569 NZ LYS A 39 -0.060 13.255 5.686 1.00 0.00 N ATOM 0 H LYS A 39 2.146 9.573 4.431 1.00 0.00 H new ATOM 0 HA LYS A 39 1.724 12.284 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.269 10.936 5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.639 12.484 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.635 9.709 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.920 11.055 7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.667 10.919 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.478 10.600 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.461 12.825 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.823 13.180 6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.297 14.185 5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.119 12.626 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.005 13.365 6.106 1.00 0.00 H new ATOM 583 N VAL A 40 4.222 11.420 2.409 1.00 0.00 N ATOM 584 CA VAL A 40 5.043 11.875 1.300 1.00 0.00 C ATOM 585 C VAL A 40 4.203 12.761 0.378 1.00 0.00 C ATOM 586 O VAL A 40 4.713 13.716 -0.205 1.00 0.00 O ATOM 587 CB VAL A 40 5.658 10.674 0.578 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.571 9.722 0.075 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.562 11.129 -0.570 1.00 0.00 C ATOM 0 H VAL A 40 4.385 10.454 2.693 1.00 0.00 H new ATOM 0 HA VAL A 40 5.874 12.480 1.663 1.00 0.00 H new ATOM 0 HB VAL A 40 6.274 10.131 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.035 8.877 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.985 9.360 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.918 10.250 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.986 10.256 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.977 11.706 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.367 11.749 -0.175 1.00 0.00 H new ATOM 599 N ARG A 41 2.929 12.413 0.276 1.00 0.00 N ATOM 600 CA ARG A 41 2.013 13.165 -0.565 1.00 0.00 C ATOM 601 C ARG A 41 1.048 13.980 0.298 1.00 0.00 C ATOM 602 O ARG A 41 0.552 15.021 -0.131 1.00 0.00 O ATOM 603 CB ARG A 41 1.209 12.234 -1.475 1.00 0.00 C ATOM 604 CG ARG A 41 2.126 11.505 -2.460 1.00 0.00 C ATOM 605 CD ARG A 41 1.311 10.724 -3.492 1.00 0.00 C ATOM 606 NE ARG A 41 1.715 11.119 -4.860 1.00 0.00 N ATOM 607 CZ ARG A 41 2.922 10.873 -5.387 1.00 0.00 C ATOM 608 NH1 ARG A 41 3.851 10.233 -4.664 1.00 0.00 N ATOM 609 NH2 ARG A 41 3.201 11.269 -6.637 1.00 0.00 N ATOM 0 H ARG A 41 2.509 11.620 0.762 1.00 0.00 H new ATOM 0 HA ARG A 41 2.608 13.836 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.667 11.507 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.464 12.810 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.767 12.226 -2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.781 10.823 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.464 9.654 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.248 10.916 -3.348 1.00 0.00 H new ATOM 0 HE ARG A 41 1.032 11.609 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.639 9.933 -3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.770 10.046 -5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.494 11.758 -7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.120 11.082 -7.038 1.00 0.00 H new ATOM 623 N GLY A 42 0.809 13.476 1.501 1.00 0.00 N ATOM 624 CA GLY A 42 -0.087 14.145 2.428 1.00 0.00 C ATOM 625 C GLY A 42 -1.423 13.405 2.528 1.00 0.00 C ATOM 626 O GLY A 42 -2.371 13.908 3.130 1.00 0.00 O ATOM 0 H GLY A 42 1.221 12.612 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.377 14.200 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.258 15.170 2.099 1.00 0.00 H new ATOM 630 N LEU A 43 -1.455 12.224 1.929 1.00 0.00 N ATOM 631 CA LEU A 43 -2.659 11.410 1.943 1.00 0.00 C ATOM 632 C LEU A 43 -3.064 11.131 3.392 1.00 0.00 C ATOM 633 O LEU A 43 -2.240 11.229 4.300 1.00 0.00 O ATOM 634 CB LEU A 43 -2.461 10.146 1.105 1.00 0.00 C ATOM 635 CG LEU A 43 -2.708 10.291 -0.398 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.116 9.109 -1.167 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.197 10.480 -0.693 1.00 0.00 C ATOM 0 H LEU A 43 -0.667 11.811 1.431 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.487 11.946 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.441 9.792 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.125 9.372 1.489 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.195 11.189 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.305 9.237 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.041 9.063 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.579 8.184 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.345 10.581 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.753 9.615 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.556 11.379 -0.192 1.00 0.00 H new ATOM 649 N ASN A 44 -4.332 10.789 3.563 1.00 0.00 N ATOM 650 CA ASN A 44 -4.856 10.495 4.887 1.00 0.00 C ATOM 651 C ASN A 44 -5.105 8.990 5.009 1.00 0.00 C ATOM 652 O ASN A 44 -5.277 8.302 4.004 1.00 0.00 O ATOM 653 CB ASN A 44 -6.185 11.214 5.125 1.00 0.00 C ATOM 654 CG ASN A 44 -5.953 12.658 5.577 1.00 0.00 C ATOM 655 OD1 ASN A 44 -6.285 13.611 4.891 1.00 0.00 O ATOM 656 ND2 ASN A 44 -5.367 12.765 6.766 1.00 0.00 N ATOM 0 H ASN A 44 -5.012 10.709 2.807 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.126 10.834 5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.776 11.206 4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.761 10.680 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.169 13.687 7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.115 11.926 7.288 1.00 0.00 H new ATOM 663 N GLN A 45 -5.115 8.523 6.249 1.00 0.00 N ATOM 664 CA GLN A 45 -5.340 7.113 6.516 1.00 0.00 C ATOM 665 C GLN A 45 -6.820 6.857 6.809 1.00 0.00 C ATOM 666 O GLN A 45 -7.154 6.073 7.696 1.00 0.00 O ATOM 667 CB GLN A 45 -4.460 6.626 7.669 1.00 0.00 C ATOM 668 CG GLN A 45 -2.990 6.566 7.249 1.00 0.00 C ATOM 669 CD GLN A 45 -2.219 7.778 7.777 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.713 8.894 7.810 1.00 0.00 O ATOM 671 NE2 GLN A 45 -0.986 7.498 8.187 1.00 0.00 N ATOM 0 H GLN A 45 -4.971 9.097 7.080 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.063 6.546 5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.571 7.294 8.523 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.790 5.639 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.537 5.649 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.920 6.531 6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.635 6.542 8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.391 8.239 8.557 1.00 0.00 H new ATOM 680 N ASP A 46 -7.667 7.534 6.048 1.00 0.00 N ATOM 681 CA ASP A 46 -9.103 7.390 6.216 1.00 0.00 C ATOM 682 C ASP A 46 -9.775 7.394 4.841 1.00 0.00 C ATOM 683 O ASP A 46 -10.619 6.545 4.557 1.00 0.00 O ATOM 684 CB ASP A 46 -9.682 8.550 7.028 1.00 0.00 C ATOM 685 CG ASP A 46 -10.581 8.137 8.195 1.00 0.00 C ATOM 686 OD1 ASP A 46 -10.042 7.512 9.133 1.00 0.00 O ATOM 687 OD2 ASP A 46 -11.788 8.456 8.121 1.00 0.00 O ATOM 0 H ASP A 46 -7.386 8.184 5.313 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.289 6.454 6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.858 9.148 7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.254 9.193 6.358 1.00 0.00 H new ATOM 692 N CYS A 47 -9.376 8.359 4.025 1.00 0.00 N ATOM 693 CA CYS A 47 -9.929 8.484 2.688 1.00 0.00 C ATOM 694 C CYS A 47 -8.989 7.775 1.710 1.00 0.00 C ATOM 695 O CYS A 47 -8.931 8.128 0.534 1.00 0.00 O ATOM 696 CB CYS A 47 -10.154 9.947 2.303 1.00 0.00 C ATOM 697 SG CYS A 47 -11.682 10.574 3.091 1.00 0.00 S ATOM 0 H CYS A 47 -8.676 9.061 4.265 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.911 8.012 2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.301 10.549 2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.230 10.039 1.220 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.862 11.818 2.759 1.00 0.00 H new ATOM 703 N CYS A 48 -8.277 6.788 2.235 1.00 0.00 N ATOM 704 CA CYS A 48 -7.342 6.027 1.423 1.00 0.00 C ATOM 705 C CYS A 48 -7.425 4.559 1.845 1.00 0.00 C ATOM 706 O CYS A 48 -7.703 4.257 3.005 1.00 0.00 O ATOM 707 CB CYS A 48 -5.918 6.574 1.538 1.00 0.00 C ATOM 708 SG CYS A 48 -5.800 8.194 0.695 1.00 0.00 S ATOM 0 H CYS A 48 -8.329 6.498 3.212 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.612 6.118 0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.644 6.680 2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.213 5.871 1.094 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.994 8.626 0.416 1.00 0.00 H new ATOM 714 N VAL A 49 -7.180 3.684 0.881 1.00 0.00 N ATOM 715 CA VAL A 49 -7.224 2.255 1.138 1.00 0.00 C ATOM 716 C VAL A 49 -5.991 1.592 0.519 1.00 0.00 C ATOM 717 O VAL A 49 -5.320 2.185 -0.324 1.00 0.00 O ATOM 718 CB VAL A 49 -8.540 1.670 0.621 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.814 2.121 -0.815 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.540 0.144 0.726 1.00 0.00 C ATOM 0 H VAL A 49 -6.950 3.937 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.196 2.059 2.210 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.345 2.049 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.755 1.691 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.878 3.209 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.004 1.785 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.487 -0.246 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.720 -0.262 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.413 -0.149 1.768 1.00 0.00 H new ATOM 730 N VAL A 50 -5.731 0.371 0.962 1.00 0.00 N ATOM 731 CA VAL A 50 -4.591 -0.379 0.462 1.00 0.00 C ATOM 732 C VAL A 50 -5.056 -1.765 0.010 1.00 0.00 C ATOM 733 O VAL A 50 -5.667 -2.501 0.782 1.00 0.00 O ATOM 734 CB VAL A 50 -3.494 -0.435 1.527 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.236 -1.115 0.983 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.174 0.964 2.059 1.00 0.00 C ATOM 0 H VAL A 50 -6.290 -0.118 1.661 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.158 0.118 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.865 -1.033 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.472 -1.142 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.477 -2.133 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.862 -0.556 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.391 0.896 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.833 1.596 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.070 1.398 2.503 1.00 0.00 H new ATOM 746 N TYR A 51 -4.749 -2.078 -1.240 1.00 0.00 N ATOM 747 CA TYR A 51 -5.128 -3.362 -1.805 1.00 0.00 C ATOM 748 C TYR A 51 -3.914 -4.286 -1.930 1.00 0.00 C ATOM 749 O TYR A 51 -2.816 -3.834 -2.248 1.00 0.00 O ATOM 750 CB TYR A 51 -5.672 -3.064 -3.203 1.00 0.00 C ATOM 751 CG TYR A 51 -6.547 -1.811 -3.276 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.491 -1.571 -2.298 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.393 -0.921 -4.319 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.315 -0.391 -2.367 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.216 0.258 -4.388 1.00 0.00 C ATOM 756 CZ TYR A 51 -8.137 0.465 -3.408 1.00 0.00 C ATOM 757 OH TYR A 51 -8.914 1.579 -3.473 1.00 0.00 O ATOM 0 H TYR A 51 -4.242 -1.464 -1.878 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.860 -3.860 -1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.834 -2.950 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.252 -3.920 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.612 -2.267 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.654 -1.109 -5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.057 -0.191 -1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.105 0.962 -5.199 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.968 1.887 -4.402 1.00 0.00 H new ATOM 767 N ARG A 52 -4.154 -5.563 -1.672 1.00 0.00 N ATOM 768 CA ARG A 52 -3.095 -6.554 -1.751 1.00 0.00 C ATOM 769 C ARG A 52 -3.447 -7.627 -2.784 1.00 0.00 C ATOM 770 O ARG A 52 -4.587 -8.087 -2.842 1.00 0.00 O ATOM 771 CB ARG A 52 -2.860 -7.220 -0.394 1.00 0.00 C ATOM 772 CG ARG A 52 -3.131 -6.241 0.751 1.00 0.00 C ATOM 773 CD ARG A 52 -3.070 -6.951 2.105 1.00 0.00 C ATOM 774 NE ARG A 52 -4.360 -7.621 2.383 1.00 0.00 N ATOM 775 CZ ARG A 52 -4.593 -8.386 3.458 1.00 0.00 C ATOM 776 NH1 ARG A 52 -3.624 -8.584 4.363 1.00 0.00 N ATOM 777 NH2 ARG A 52 -5.794 -8.954 3.629 1.00 0.00 N ATOM 0 H ARG A 52 -5.067 -5.934 -1.408 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.183 -6.040 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.509 -8.090 -0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.833 -7.580 -0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.398 -5.435 0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.112 -5.785 0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.263 -7.684 2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.847 -6.231 2.893 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.119 -7.492 1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.709 -8.152 4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.802 -9.166 5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.532 -8.804 2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.971 -9.536 4.448 1.00 0.00 H new ATOM 791 N LEU A 53 -2.449 -7.995 -3.573 1.00 0.00 N ATOM 792 CA LEU A 53 -2.640 -9.005 -4.600 1.00 0.00 C ATOM 793 C LEU A 53 -2.552 -10.394 -3.965 1.00 0.00 C ATOM 794 O LEU A 53 -1.459 -10.898 -3.713 1.00 0.00 O ATOM 795 CB LEU A 53 -1.654 -8.791 -5.751 1.00 0.00 C ATOM 796 CG LEU A 53 -2.172 -7.969 -6.933 1.00 0.00 C ATOM 797 CD1 LEU A 53 -2.770 -8.875 -8.011 1.00 0.00 C ATOM 798 CD2 LEU A 53 -3.163 -6.902 -6.466 1.00 0.00 C ATOM 0 H LEU A 53 -1.505 -7.612 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.633 -8.918 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.765 -8.301 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.342 -9.767 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.327 -7.448 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.131 -8.265 -8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.006 -9.563 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.600 -9.443 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.516 -6.332 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.010 -7.382 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.670 -6.231 -5.763 1.00 0.00 H new ATOM 810 N ILE A 54 -3.719 -10.974 -3.725 1.00 0.00 N ATOM 811 CA ILE A 54 -3.788 -12.296 -3.125 1.00 0.00 C ATOM 812 C ILE A 54 -4.054 -13.334 -4.217 1.00 0.00 C ATOM 813 O ILE A 54 -3.205 -14.179 -4.495 1.00 0.00 O ATOM 814 CB ILE A 54 -4.816 -12.317 -1.992 1.00 0.00 C ATOM 815 CG1 ILE A 54 -4.181 -11.891 -0.667 1.00 0.00 C ATOM 816 CG2 ILE A 54 -5.492 -13.685 -1.890 1.00 0.00 C ATOM 817 CD1 ILE A 54 -4.231 -10.371 -0.498 1.00 0.00 C ATOM 0 H ILE A 54 -4.624 -10.553 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.835 -12.556 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.594 -11.590 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.703 -12.370 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.146 -12.231 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.218 -13.672 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.001 -13.910 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.740 -14.449 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.773 -10.095 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.687 -9.896 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.269 -10.037 -0.511 1.00 0.00 H new ATOM 829 N LYS A 55 -5.238 -13.237 -4.805 1.00 0.00 N ATOM 830 CA LYS A 55 -5.627 -14.157 -5.860 1.00 0.00 C ATOM 831 C LYS A 55 -5.932 -13.366 -7.134 1.00 0.00 C ATOM 832 O LYS A 55 -6.978 -13.558 -7.752 1.00 0.00 O ATOM 833 CB LYS A 55 -6.782 -15.046 -5.396 1.00 0.00 C ATOM 834 CG LYS A 55 -6.310 -16.483 -5.164 1.00 0.00 C ATOM 835 CD LYS A 55 -5.570 -16.608 -3.831 1.00 0.00 C ATOM 836 CE LYS A 55 -4.713 -17.875 -3.797 1.00 0.00 C ATOM 837 NZ LYS A 55 -3.317 -17.547 -3.430 1.00 0.00 N ATOM 0 H LYS A 55 -5.940 -12.535 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.807 -14.836 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.206 -14.646 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.576 -15.036 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.167 -17.157 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.654 -16.790 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.938 -15.733 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.289 -16.629 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.127 -18.582 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.734 -18.362 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.749 -18.418 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.919 -16.889 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.300 -17.103 -2.490 1.00 0.00 H new ATOM 851 N GLY A 56 -5.000 -12.494 -7.488 1.00 0.00 N ATOM 852 CA GLY A 56 -5.156 -11.673 -8.677 1.00 0.00 C ATOM 853 C GLY A 56 -6.300 -10.671 -8.505 1.00 0.00 C ATOM 854 O GLY A 56 -6.840 -10.165 -9.488 1.00 0.00 O ATOM 0 H GLY A 56 -4.134 -12.338 -6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.227 -11.139 -8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.352 -12.310 -9.540 1.00 0.00 H new ATOM 858 N ARG A 57 -6.634 -10.414 -7.249 1.00 0.00 N ATOM 859 CA ARG A 57 -7.704 -9.481 -6.936 1.00 0.00 C ATOM 860 C ARG A 57 -7.255 -8.505 -5.846 1.00 0.00 C ATOM 861 O ARG A 57 -6.575 -8.897 -4.899 1.00 0.00 O ATOM 862 CB ARG A 57 -8.958 -10.219 -6.464 1.00 0.00 C ATOM 863 CG ARG A 57 -9.723 -10.812 -7.649 1.00 0.00 C ATOM 864 CD ARG A 57 -10.446 -9.718 -8.438 1.00 0.00 C ATOM 865 NE ARG A 57 -11.885 -9.714 -8.096 1.00 0.00 N ATOM 866 CZ ARG A 57 -12.741 -8.747 -8.456 1.00 0.00 C ATOM 867 NH1 ARG A 57 -12.306 -7.701 -9.171 1.00 0.00 N ATOM 868 NH2 ARG A 57 -14.030 -8.827 -8.101 1.00 0.00 N ATOM 0 H ARG A 57 -6.183 -10.835 -6.437 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.941 -8.931 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.678 -11.014 -5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.604 -9.533 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.032 -11.341 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.446 -11.544 -7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.008 -8.746 -8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.319 -9.885 -9.508 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.249 -10.496 -7.552 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.324 -7.641 -9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.957 -6.965 -9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.361 -9.624 -7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.681 -8.091 -8.375 1.00 0.00 H new ATOM 882 N LYS A 58 -7.653 -7.253 -6.016 1.00 0.00 N ATOM 883 CA LYS A 58 -7.300 -6.219 -5.059 1.00 0.00 C ATOM 884 C LYS A 58 -7.944 -6.539 -3.708 1.00 0.00 C ATOM 885 O LYS A 58 -9.120 -6.249 -3.493 1.00 0.00 O ATOM 886 CB LYS A 58 -7.668 -4.837 -5.604 1.00 0.00 C ATOM 887 CG LYS A 58 -6.580 -4.309 -6.541 1.00 0.00 C ATOM 888 CD LYS A 58 -7.132 -4.083 -7.949 1.00 0.00 C ATOM 889 CE LYS A 58 -6.304 -3.038 -8.701 1.00 0.00 C ATOM 890 NZ LYS A 58 -5.828 -3.585 -9.991 1.00 0.00 N ATOM 0 H LYS A 58 -8.217 -6.931 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.222 -6.198 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.617 -4.894 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.809 -4.142 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.180 -3.374 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.753 -5.018 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.126 -5.023 -8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.170 -3.755 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.906 -2.146 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.453 -2.733 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.268 -2.864 -10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.237 -4.422 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.644 -3.854 -10.576 1.00 0.00 H new ATOM 904 N THR A 59 -7.145 -7.133 -2.834 1.00 0.00 N ATOM 905 CA THR A 59 -7.622 -7.495 -1.510 1.00 0.00 C ATOM 906 C THR A 59 -7.264 -6.406 -0.498 1.00 0.00 C ATOM 907 O THR A 59 -6.131 -6.342 -0.023 1.00 0.00 O ATOM 908 CB THR A 59 -7.041 -8.866 -1.158 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.776 -9.775 -1.974 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.378 -9.295 0.272 1.00 0.00 C ATOM 0 H THR A 59 -6.171 -7.373 -3.017 1.00 0.00 H new ATOM 0 HA THR A 59 -8.709 -7.570 -1.488 1.00 0.00 H new ATOM 0 HB THR A 59 -5.959 -8.845 -1.286 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.508 -9.664 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.942 -10.274 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.972 -8.568 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.460 -9.349 0.390 1.00 0.00 H new ATOM 918 N VAL A 60 -8.252 -5.575 -0.197 1.00 0.00 N ATOM 919 CA VAL A 60 -8.056 -4.491 0.751 1.00 0.00 C ATOM 920 C VAL A 60 -7.357 -5.032 2.000 1.00 0.00 C ATOM 921 O VAL A 60 -7.379 -6.234 2.257 1.00 0.00 O ATOM 922 CB VAL A 60 -9.394 -3.817 1.059 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.249 -2.803 2.196 1.00 0.00 C ATOM 924 CG2 VAL A 60 -9.978 -3.159 -0.192 1.00 0.00 C ATOM 0 H VAL A 60 -9.190 -5.631 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.411 -3.723 0.325 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.090 -4.589 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.215 -2.338 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.899 -3.311 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.529 -2.036 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.929 -2.687 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.285 -2.405 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.137 -3.915 -0.960 1.00 0.00 H new ATOM 934 N THR A 61 -6.752 -4.117 2.743 1.00 0.00 N ATOM 935 CA THR A 61 -6.048 -4.487 3.959 1.00 0.00 C ATOM 936 C THR A 61 -6.432 -3.548 5.104 1.00 0.00 C ATOM 937 O THR A 61 -6.909 -2.439 4.869 1.00 0.00 O ATOM 938 CB THR A 61 -4.548 -4.491 3.654 1.00 0.00 C ATOM 939 OG1 THR A 61 -4.010 -5.441 4.570 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.869 -3.175 4.040 1.00 0.00 C ATOM 0 H THR A 61 -6.735 -3.120 2.526 1.00 0.00 H new ATOM 0 HA THR A 61 -6.330 -5.486 4.291 1.00 0.00 H new ATOM 0 HB THR A 61 -4.394 -4.681 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.089 -5.192 4.796 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.807 -3.231 3.803 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.322 -2.355 3.484 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.994 -3.001 5.109 1.00 0.00 H new ATOM 948 N ALA A 62 -6.210 -4.027 6.319 1.00 0.00 N ATOM 949 CA ALA A 62 -6.527 -3.245 7.502 1.00 0.00 C ATOM 950 C ALA A 62 -5.308 -2.409 7.897 1.00 0.00 C ATOM 951 O ALA A 62 -4.170 -2.829 7.693 1.00 0.00 O ATOM 952 CB ALA A 62 -6.983 -4.179 8.625 1.00 0.00 C ATOM 0 H ALA A 62 -5.814 -4.947 6.510 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.347 -2.556 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.221 -3.592 9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.869 -4.728 8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.185 -4.883 8.859 1.00 0.00 H new ATOM 958 N TRP A 63 -5.587 -1.241 8.457 1.00 0.00 N ATOM 959 CA TRP A 63 -4.528 -0.343 8.883 1.00 0.00 C ATOM 960 C TRP A 63 -3.902 -0.919 10.154 1.00 0.00 C ATOM 961 O TRP A 63 -2.748 -0.631 10.468 1.00 0.00 O ATOM 962 CB TRP A 63 -5.057 1.081 9.069 1.00 0.00 C ATOM 963 CG TRP A 63 -5.508 1.752 7.770 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.750 2.107 7.413 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.665 2.138 6.665 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.769 2.690 6.162 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.460 2.711 5.693 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.275 2.009 6.491 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.959 3.198 4.480 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.790 2.501 5.274 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.577 3.080 4.286 1.00 0.00 C ATOM 0 H TRP A 63 -6.532 -0.896 8.625 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.755 -0.268 8.118 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.896 1.058 9.764 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.278 1.690 9.529 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.626 1.956 8.027 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.592 3.041 5.672 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.633 1.565 7.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.603 3.641 3.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.729 2.425 5.090 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.125 3.437 3.373 1.00 0.00 H new ATOM 982 N ASP A 64 -4.690 -1.723 10.852 1.00 0.00 N ATOM 983 CA ASP A 64 -4.228 -2.342 12.082 1.00 0.00 C ATOM 984 C ASP A 64 -3.341 -3.542 11.742 1.00 0.00 C ATOM 985 O ASP A 64 -2.367 -3.817 12.441 1.00 0.00 O ATOM 986 CB ASP A 64 -5.404 -2.846 12.921 1.00 0.00 C ATOM 987 CG ASP A 64 -6.420 -1.774 13.320 1.00 0.00 C ATOM 988 OD1 ASP A 64 -6.058 -0.939 14.177 1.00 0.00 O ATOM 989 OD2 ASP A 64 -7.536 -1.814 12.759 1.00 0.00 O ATOM 0 H ASP A 64 -5.646 -1.960 10.589 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.675 -1.593 12.649 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.922 -3.626 12.362 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.013 -3.309 13.827 1.00 0.00 H new ATOM 994 N THR A 65 -3.711 -4.225 10.668 1.00 0.00 N ATOM 995 CA THR A 65 -2.961 -5.389 10.227 1.00 0.00 C ATOM 996 C THR A 65 -1.458 -5.139 10.366 1.00 0.00 C ATOM 997 O THR A 65 -1.022 -3.994 10.470 1.00 0.00 O ATOM 998 CB THR A 65 -3.393 -5.714 8.796 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.812 -5.816 8.876 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.944 -7.108 8.351 1.00 0.00 C ATOM 0 H THR A 65 -4.520 -3.995 10.091 1.00 0.00 H new ATOM 0 HA THR A 65 -3.173 -6.257 10.852 1.00 0.00 H new ATOM 0 HB THR A 65 -2.985 -4.967 8.116 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.152 -6.279 8.082 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.276 -7.288 7.329 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.857 -7.172 8.396 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.379 -7.858 9.011 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.707 -6.231 10.365 1.00 0.00 N ATOM 1009 CA ALA A 66 0.738 -6.145 10.490 1.00 0.00 C ATOM 1010 C ALA A 66 1.364 -6.085 9.095 1.00 0.00 C ATOM 1011 O ALA A 66 0.741 -6.488 8.113 1.00 0.00 O ATOM 1012 CB ALA A 66 1.251 -7.331 11.308 1.00 0.00 C ATOM 0 H ALA A 66 -1.072 -7.180 10.280 1.00 0.00 H new ATOM 0 HA ALA A 66 1.024 -5.236 11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.335 -7.267 11.402 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.799 -7.312 12.300 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.985 -8.261 10.806 1.00 0.00 H new ATOM 1018 N ILE A 67 2.587 -5.578 9.051 1.00 0.00 N ATOM 1019 CA ILE A 67 3.304 -5.460 7.792 1.00 0.00 C ATOM 1020 C ILE A 67 4.256 -6.648 7.639 1.00 0.00 C ATOM 1021 O ILE A 67 5.194 -6.597 6.846 1.00 0.00 O ATOM 1022 CB ILE A 67 3.997 -4.100 7.696 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.423 -3.802 6.257 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.172 -4.013 8.672 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.422 -2.872 5.570 1.00 0.00 C ATOM 0 H ILE A 67 3.100 -5.244 9.867 1.00 0.00 H new ATOM 0 HA ILE A 67 2.609 -5.498 6.953 1.00 0.00 H new ATOM 0 HB ILE A 67 3.281 -3.331 7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.412 -3.343 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.502 -4.734 5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.647 -3.036 8.583 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.809 -4.149 9.691 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.898 -4.792 8.438 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.749 -2.676 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.440 -3.344 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.363 -1.932 6.118 1.00 0.00 H new ATOM 1037 N ALA A 68 3.982 -7.689 8.412 1.00 0.00 N ATOM 1038 CA ALA A 68 4.803 -8.887 8.373 1.00 0.00 C ATOM 1039 C ALA A 68 4.423 -9.720 7.147 1.00 0.00 C ATOM 1040 O ALA A 68 5.276 -10.041 6.322 1.00 0.00 O ATOM 1041 CB ALA A 68 4.636 -9.664 9.680 1.00 0.00 C ATOM 0 H ALA A 68 3.203 -7.727 9.069 1.00 0.00 H new ATOM 0 HA ALA A 68 5.857 -8.627 8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.252 -10.563 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.946 -9.039 10.517 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.590 -9.945 9.805 1.00 0.00 H new ATOM 1047 N PRO A 69 3.107 -10.055 7.065 1.00 0.00 N ATOM 1048 CA PRO A 69 2.604 -10.844 5.954 1.00 0.00 C ATOM 1049 C PRO A 69 2.504 -9.999 4.682 1.00 0.00 C ATOM 1050 O PRO A 69 1.440 -9.916 4.070 1.00 0.00 O ATOM 1051 CB PRO A 69 1.258 -11.371 6.424 1.00 0.00 C ATOM 1052 CG PRO A 69 0.847 -10.486 7.589 1.00 0.00 C ATOM 1053 CD PRO A 69 2.068 -9.692 8.024 1.00 0.00 C ATOM 0 HA PRO A 69 3.268 -11.666 5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.521 -11.329 5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.333 -12.414 6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.041 -9.815 7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.471 -11.091 8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.870 -8.620 8.007 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.363 -9.945 9.042 1.00 0.00 H new ATOM 1061 N LEU A 70 3.627 -9.395 4.322 1.00 0.00 N ATOM 1062 CA LEU A 70 3.679 -8.560 3.134 1.00 0.00 C ATOM 1063 C LEU A 70 4.975 -8.845 2.372 1.00 0.00 C ATOM 1064 O LEU A 70 4.965 -8.967 1.148 1.00 0.00 O ATOM 1065 CB LEU A 70 3.496 -7.087 3.506 1.00 0.00 C ATOM 1066 CG LEU A 70 2.076 -6.663 3.887 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.072 -7.079 2.810 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.694 -7.203 5.266 1.00 0.00 C ATOM 0 H LEU A 70 4.507 -9.467 4.832 1.00 0.00 H new ATOM 0 HA LEU A 70 2.854 -8.800 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.158 -6.859 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.823 -6.477 2.664 1.00 0.00 H new ATOM 0 HG LEU A 70 2.049 -5.575 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.071 -6.766 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.336 -6.606 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.093 -8.162 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.680 -6.887 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.743 -8.292 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.386 -6.815 6.013 1.00 0.00 H new ATOM 1080 N ASP A 71 6.059 -8.942 3.128 1.00 0.00 N ATOM 1081 CA ASP A 71 7.360 -9.211 2.539 1.00 0.00 C ATOM 1082 C ASP A 71 7.184 -10.102 1.308 1.00 0.00 C ATOM 1083 O ASP A 71 6.830 -11.274 1.431 1.00 0.00 O ATOM 1084 CB ASP A 71 8.271 -9.943 3.526 1.00 0.00 C ATOM 1085 CG ASP A 71 9.586 -10.456 2.935 1.00 0.00 C ATOM 1086 OD1 ASP A 71 10.331 -9.612 2.392 1.00 0.00 O ATOM 1087 OD2 ASP A 71 9.815 -11.680 3.039 1.00 0.00 O ATOM 0 H ASP A 71 6.063 -8.839 4.143 1.00 0.00 H new ATOM 0 HA ASP A 71 7.812 -8.256 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.500 -9.271 4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.724 -10.788 3.944 1.00 0.00 H new ATOM 1092 N GLY A 72 7.438 -9.513 0.149 1.00 0.00 N ATOM 1093 CA GLY A 72 7.312 -10.240 -1.103 1.00 0.00 C ATOM 1094 C GLY A 72 5.896 -10.116 -1.669 1.00 0.00 C ATOM 1095 O GLY A 72 5.225 -11.122 -1.896 1.00 0.00 O ATOM 0 H GLY A 72 7.730 -8.541 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.031 -9.854 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.553 -11.291 -0.943 1.00 0.00 H new ATOM 1099 N GLU A 73 5.483 -8.875 -1.879 1.00 0.00 N ATOM 1100 CA GLU A 73 4.158 -8.607 -2.413 1.00 0.00 C ATOM 1101 C GLU A 73 4.090 -7.185 -2.974 1.00 0.00 C ATOM 1102 O GLU A 73 5.117 -6.528 -3.136 1.00 0.00 O ATOM 1103 CB GLU A 73 3.083 -8.829 -1.348 1.00 0.00 C ATOM 1104 CG GLU A 73 3.065 -7.679 -0.339 1.00 0.00 C ATOM 1105 CD GLU A 73 1.995 -6.647 -0.703 1.00 0.00 C ATOM 1106 OE1 GLU A 73 0.803 -7.015 -0.633 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.395 -5.512 -1.044 1.00 0.00 O ATOM 0 H GLU A 73 6.042 -8.044 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 73 3.966 -9.307 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.106 -8.915 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.269 -9.770 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.873 -8.070 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.043 -7.199 -0.311 1.00 0.00 H new ATOM 1114 N GLU A 74 2.870 -6.752 -3.254 1.00 0.00 N ATOM 1115 CA GLU A 74 2.654 -5.420 -3.794 1.00 0.00 C ATOM 1116 C GLU A 74 1.309 -4.867 -3.318 1.00 0.00 C ATOM 1117 O GLU A 74 0.262 -5.454 -3.585 1.00 0.00 O ATOM 1118 CB GLU A 74 2.733 -5.428 -5.322 1.00 0.00 C ATOM 1119 CG GLU A 74 4.133 -5.037 -5.800 1.00 0.00 C ATOM 1120 CD GLU A 74 4.456 -5.692 -7.145 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.915 -6.793 -7.384 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.236 -5.076 -7.903 1.00 0.00 O ATOM 0 H GLU A 74 2.020 -7.300 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 74 3.445 -4.767 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.480 -6.419 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.998 -4.735 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.200 -3.953 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.872 -5.339 -5.058 1.00 0.00 H new ATOM 1129 N LEU A 75 1.382 -3.743 -2.620 1.00 0.00 N ATOM 1130 CA LEU A 75 0.184 -3.103 -2.104 1.00 0.00 C ATOM 1131 C LEU A 75 -0.167 -1.901 -2.984 1.00 0.00 C ATOM 1132 O LEU A 75 0.721 -1.242 -3.522 1.00 0.00 O ATOM 1133 CB LEU A 75 0.358 -2.752 -0.625 1.00 0.00 C ATOM 1134 CG LEU A 75 0.498 -3.937 0.333 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.878 -3.949 0.994 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.632 -3.943 1.365 1.00 0.00 C ATOM 0 H LEU A 75 2.252 -3.259 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.662 -3.789 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.241 -2.121 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.498 -2.155 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 75 0.411 -4.856 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.950 -4.801 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.648 -4.028 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.020 -3.027 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.509 -4.795 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.601 -3.020 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.592 -4.018 0.853 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.463 -1.652 -3.102 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.941 -0.542 -3.907 1.00 0.00 C ATOM 1150 C ILE A 76 -2.700 0.441 -3.012 1.00 0.00 C ATOM 1151 O ILE A 76 -3.783 0.130 -2.521 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.762 -1.053 -5.092 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.873 -1.789 -6.097 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.547 0.084 -5.747 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.717 -2.555 -7.117 1.00 0.00 C ATOM 0 H ILE A 76 -2.197 -2.200 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.102 0.002 -4.341 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.490 -1.772 -4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.232 -1.074 -6.613 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.217 -2.481 -5.569 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.122 -0.307 -6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.225 0.525 -5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.854 0.845 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.061 -3.069 -7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.338 -3.286 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.354 -1.857 -7.660 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.100 1.608 -2.828 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.706 2.639 -2.002 1.00 0.00 C ATOM 1169 C VAL A 77 -3.557 3.557 -2.881 1.00 0.00 C ATOM 1170 O VAL A 77 -3.029 4.271 -3.732 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.622 3.390 -1.225 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.239 4.451 -0.312 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.748 2.421 -0.427 1.00 0.00 C ATOM 0 H VAL A 77 -1.201 1.863 -3.237 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.370 2.194 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.984 3.899 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.448 4.970 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.798 5.168 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.911 3.972 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.014 2.981 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.368 1.871 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.267 1.720 -1.109 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.859 3.508 -2.645 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.789 4.327 -3.405 1.00 0.00 C ATOM 1185 C GLU A 78 -6.473 5.343 -2.488 1.00 0.00 C ATOM 1186 O GLU A 78 -6.479 5.179 -1.269 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.820 3.458 -4.128 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.509 3.368 -5.623 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.796 3.349 -6.451 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -8.470 2.297 -6.428 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -8.076 4.388 -7.087 1.00 0.00 O ATOM 0 H GLU A 78 -5.293 2.914 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.227 4.873 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.827 2.458 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.817 3.875 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.893 4.216 -5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.930 2.467 -5.824 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.034 6.369 -3.110 1.00 0.00 N ATOM 1199 CA VAL A 79 -7.720 7.412 -2.365 1.00 0.00 C ATOM 1200 C VAL A 79 -9.223 7.322 -2.638 1.00 0.00 C ATOM 1201 O VAL A 79 -9.655 7.409 -3.787 1.00 0.00 O ATOM 1202 CB VAL A 79 -7.129 8.779 -2.714 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -7.003 8.952 -4.229 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -7.960 9.908 -2.100 1.00 0.00 C ATOM 0 H VAL A 79 -7.028 6.501 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.575 7.275 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.127 8.830 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.580 9.932 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.350 8.177 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.988 8.870 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.519 10.869 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.979 9.860 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.975 9.800 -1.015 1.00 0.00 H new ATOM 1214 N LEU A 80 -9.978 7.150 -1.563 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.423 7.049 -1.672 1.00 0.00 C ATOM 1216 C LEU A 80 -11.975 8.331 -2.299 1.00 0.00 C ATOM 1217 O LEU A 80 -11.764 9.423 -1.774 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.041 6.714 -0.313 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.716 5.328 0.248 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -12.169 5.206 1.705 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.313 4.227 -0.631 1.00 0.00 C ATOM 0 H LEU A 80 -9.616 7.078 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.698 6.227 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.712 7.462 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.124 6.806 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.634 5.200 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.926 4.212 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.658 5.956 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.246 5.364 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.067 3.252 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.396 4.342 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.901 4.302 -1.638 1.00 0.00 H new ATOM 1233 N SER A 81 -12.670 8.155 -3.413 1.00 0.00 N ATOM 1234 CA SER A 81 -13.253 9.284 -4.117 1.00 0.00 C ATOM 1235 C SER A 81 -14.362 8.801 -5.054 1.00 0.00 C ATOM 1236 O SER A 81 -14.084 8.272 -6.129 1.00 0.00 O ATOM 1237 CB SER A 81 -12.189 10.051 -4.905 1.00 0.00 C ATOM 1238 OG SER A 81 -12.170 11.436 -4.568 1.00 0.00 O ATOM 0 H SER A 81 -12.842 7.247 -3.845 1.00 0.00 H new ATOM 0 HA SER A 81 -13.680 9.963 -3.379 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.209 9.617 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 81 -12.378 9.940 -5.973 1.00 0.00 H new ATOM 0 HG SER A 81 -11.477 11.890 -5.091 1.00 0.00 H new ATOM 1244 N GLY A 82 -15.595 9.000 -4.612 1.00 0.00 N ATOM 1245 CA GLY A 82 -16.747 8.591 -5.398 1.00 0.00 C ATOM 1246 C GLY A 82 -17.707 7.742 -4.562 1.00 0.00 C ATOM 1247 O GLY A 82 -17.297 7.111 -3.590 1.00 0.00 O ATOM 0 H GLY A 82 -15.822 9.439 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.267 9.472 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.416 8.023 -6.267 1.00 0.00 H new ATOM 1251 N PRO A 83 -19.000 7.754 -4.984 1.00 0.00 N ATOM 1252 CA PRO A 83 -20.022 6.993 -4.285 1.00 0.00 C ATOM 1253 C PRO A 83 -19.899 5.499 -4.593 1.00 0.00 C ATOM 1254 O PRO A 83 -19.628 5.117 -5.730 1.00 0.00 O ATOM 1255 CB PRO A 83 -21.341 7.589 -4.748 1.00 0.00 C ATOM 1256 CG PRO A 83 -21.031 8.343 -6.031 1.00 0.00 C ATOM 1257 CD PRO A 83 -19.522 8.490 -6.131 1.00 0.00 C ATOM 0 HA PRO A 83 -19.929 7.059 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -22.082 6.809 -4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -21.754 8.257 -3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -21.420 7.804 -6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -21.510 9.322 -6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -19.146 8.081 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -19.223 9.538 -6.098 1.00 0.00 H new ATOM 1265 N SER A 84 -20.105 4.696 -3.560 1.00 0.00 N ATOM 1266 CA SER A 84 -20.021 3.253 -3.706 1.00 0.00 C ATOM 1267 C SER A 84 -21.323 2.602 -3.235 1.00 0.00 C ATOM 1268 O SER A 84 -22.071 3.194 -2.458 1.00 0.00 O ATOM 1269 CB SER A 84 -18.833 2.688 -2.924 1.00 0.00 C ATOM 1270 OG SER A 84 -18.970 2.897 -1.521 1.00 0.00 O ATOM 0 H SER A 84 -20.330 5.017 -2.618 1.00 0.00 H new ATOM 0 HA SER A 84 -19.869 3.025 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.742 1.620 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.913 3.158 -3.272 1.00 0.00 H new ATOM 0 HG SER A 84 -18.193 2.521 -1.057 1.00 0.00 H new ATOM 1276 N SER A 85 -21.555 1.394 -3.726 1.00 0.00 N ATOM 1277 CA SER A 85 -22.754 0.657 -3.365 1.00 0.00 C ATOM 1278 C SER A 85 -22.582 -0.824 -3.711 1.00 0.00 C ATOM 1279 O SER A 85 -22.675 -1.684 -2.836 1.00 0.00 O ATOM 1280 CB SER A 85 -23.985 1.227 -4.072 1.00 0.00 C ATOM 1281 OG SER A 85 -24.685 2.161 -3.254 1.00 0.00 O ATOM 0 H SER A 85 -20.933 0.907 -4.371 1.00 0.00 H new ATOM 0 HA SER A 85 -22.906 0.758 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 85 -23.678 1.714 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 85 -24.655 0.412 -4.347 1.00 0.00 H new ATOM 0 HG SER A 85 -24.042 2.743 -2.798 1.00 0.00 H new ATOM 1287 N GLY A 86 -22.335 -1.076 -4.988 1.00 0.00 N ATOM 1288 CA GLY A 86 -22.150 -2.437 -5.460 1.00 0.00 C ATOM 1289 C GLY A 86 -21.328 -2.463 -6.750 1.00 0.00 C ATOM 1290 O GLY A 86 -21.486 -3.364 -7.573 1.00 0.00 O ATOM 0 H GLY A 86 -22.259 -0.360 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.648 -3.027 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -23.121 -2.901 -5.634 1.00 0.00 H new TER 1294 GLY A 86