USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 48 GLN : amide:sc= -1.44 K(o=-1.5,f=-2.5!) USER MOD Set 1.2: A 53 LYS NZ :NH3+ 161:sc= -0.088 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.0541 X(o=-0.054,f=-0.23) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 14:sc= 0.506 USER MOD Single : A 10 SER OG : rot -62:sc= 0.909 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 105:sc= 0.181 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.624 K(o=0.62,f=-0.63) USER MOD Single : A 25 SER OG : rot 155:sc= 1.14 USER MOD Single : A 27 ASN : amide:sc= -0.966 K(o=-0.97,f=-2.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.221 (180deg=-0.487) USER MOD Single : A 47 SER OG : rot 180:sc= -0.221 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.6 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -3.88! C(o=-3.9!,f=-5.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.808 K(o=0.81,f=-3.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.141 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -1.56! USER MOD Single : A 87 TYR OH : rot -58:sc= -1.31! USER MOD Single : A 88 THR OG1 : rot -56:sc= 1.12 USER MOD Single : A 91 LYS NZ :NH3+ -139:sc= -1.67 (180deg=-4.41!) USER MOD Single : A 94 THR OG1 : rot -46:sc= 0.5 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 95.352 10.722 2.741 1.00 0.00 N ATOM 2 CA SER A 1 96.270 11.648 2.018 1.00 0.00 C ATOM 3 C SER A 1 97.584 11.798 2.788 1.00 0.00 C ATOM 4 O SER A 1 98.658 11.689 2.228 1.00 0.00 O ATOM 5 CB SER A 1 95.525 12.981 1.964 1.00 0.00 C ATOM 6 OG SER A 1 95.829 13.640 0.742 1.00 0.00 O ATOM 0 H1 SER A 1 94.464 10.628 2.209 1.00 0.00 H new ATOM 0 H2 SER A 1 95.801 9.789 2.832 1.00 0.00 H new ATOM 0 H3 SER A 1 95.150 11.102 3.688 1.00 0.00 H new ATOM 0 HA SER A 1 96.525 11.283 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 1 94.451 12.814 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 1 95.813 13.606 2.809 1.00 0.00 H new ATOM 0 HG SER A 1 95.351 14.495 0.704 1.00 0.00 H new ATOM 14 N HIS A 2 97.510 12.047 4.066 1.00 0.00 N ATOM 15 CA HIS A 2 98.756 12.204 4.869 1.00 0.00 C ATOM 16 C HIS A 2 98.461 11.976 6.355 1.00 0.00 C ATOM 17 O HIS A 2 99.234 11.364 7.065 1.00 0.00 O ATOM 18 CB HIS A 2 99.206 13.645 4.626 1.00 0.00 C ATOM 19 CG HIS A 2 100.463 13.645 3.803 1.00 0.00 C ATOM 20 ND1 HIS A 2 101.611 12.979 4.203 1.00 0.00 N ATOM 21 CD2 HIS A 2 100.770 14.227 2.597 1.00 0.00 C ATOM 22 CE1 HIS A 2 102.545 13.175 3.255 1.00 0.00 C ATOM 23 NE2 HIS A 2 102.085 13.929 2.253 1.00 0.00 N ATOM 0 H HIS A 2 96.641 12.149 4.590 1.00 0.00 H new ATOM 0 HA HIS A 2 99.524 11.484 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 2 98.422 14.200 4.112 1.00 0.00 H new ATOM 0 HB3 HIS A 2 99.381 14.148 5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 2 100.093 14.825 2.005 1.00 0.00 H new ATOM 0 HE1 HIS A 2 103.546 12.771 3.299 1.00 0.00 H new ATOM 0 HE2 HIS A 2 102.589 14.223 1.416 1.00 0.00 H new ATOM 31 N MET A 3 97.348 12.465 6.830 1.00 0.00 N ATOM 32 CA MET A 3 97.005 12.276 8.269 1.00 0.00 C ATOM 33 C MET A 3 95.486 12.202 8.445 1.00 0.00 C ATOM 34 O MET A 3 94.731 12.596 7.579 1.00 0.00 O ATOM 35 CB MET A 3 97.566 13.512 8.974 1.00 0.00 C ATOM 36 CG MET A 3 97.991 13.139 10.396 1.00 0.00 C ATOM 37 SD MET A 3 97.945 14.613 11.446 1.00 0.00 S ATOM 38 CE MET A 3 99.587 15.244 11.024 1.00 0.00 C ATOM 0 H MET A 3 96.662 12.987 6.285 1.00 0.00 H new ATOM 0 HA MET A 3 97.417 11.352 8.674 1.00 0.00 H new ATOM 0 HB2 MET A 3 98.418 13.905 8.419 1.00 0.00 H new ATOM 0 HB3 MET A 3 96.814 14.300 9.003 1.00 0.00 H new ATOM 0 HG2 MET A 3 97.327 12.373 10.796 1.00 0.00 H new ATOM 0 HG3 MET A 3 98.996 12.717 10.388 1.00 0.00 H new ATOM 0 HE1 MET A 3 99.773 16.169 11.570 1.00 0.00 H new ATOM 0 HE2 MET A 3 100.341 14.505 11.294 1.00 0.00 H new ATOM 0 HE3 MET A 3 99.638 15.439 9.953 1.00 0.00 H new ATOM 48 N LEU A 4 95.032 11.699 9.561 1.00 0.00 N ATOM 49 CA LEU A 4 93.562 11.599 9.790 1.00 0.00 C ATOM 50 C LEU A 4 93.281 11.097 11.209 1.00 0.00 C ATOM 51 O LEU A 4 93.960 10.226 11.717 1.00 0.00 O ATOM 52 CB LEU A 4 93.068 10.588 8.755 1.00 0.00 C ATOM 53 CG LEU A 4 93.810 9.263 8.941 1.00 0.00 C ATOM 54 CD1 LEU A 4 92.926 8.288 9.720 1.00 0.00 C ATOM 55 CD2 LEU A 4 94.140 8.668 7.570 1.00 0.00 C ATOM 0 H LEU A 4 95.615 11.353 10.323 1.00 0.00 H new ATOM 0 HA LEU A 4 93.061 12.562 9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 4 91.994 10.434 8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 4 93.234 10.972 7.748 1.00 0.00 H new ATOM 0 HG LEU A 4 94.733 9.438 9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 4 93.455 7.344 9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 4 92.689 8.712 10.696 1.00 0.00 H new ATOM 0 HD13 LEU A 4 92.003 8.113 9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 4 94.669 7.724 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 4 93.217 8.493 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 4 94.770 9.362 7.014 1.00 0.00 H new ATOM 67 N GLU A 5 92.284 11.640 11.854 1.00 0.00 N ATOM 68 CA GLU A 5 91.960 11.193 13.239 1.00 0.00 C ATOM 69 C GLU A 5 90.713 11.920 13.751 1.00 0.00 C ATOM 70 O GLU A 5 90.801 12.880 14.489 1.00 0.00 O ATOM 71 CB GLU A 5 93.182 11.574 14.074 1.00 0.00 C ATOM 72 CG GLU A 5 93.556 10.409 14.994 1.00 0.00 C ATOM 73 CD GLU A 5 94.690 9.601 14.361 1.00 0.00 C ATOM 74 OE1 GLU A 5 95.837 9.938 14.604 1.00 0.00 O ATOM 75 OE2 GLU A 5 94.392 8.660 13.645 1.00 0.00 O ATOM 0 H GLU A 5 91.680 12.373 11.482 1.00 0.00 H new ATOM 0 HA GLU A 5 91.749 10.125 13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 5 94.020 11.819 13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 5 92.968 12.464 14.666 1.00 0.00 H new ATOM 0 HG2 GLU A 5 93.865 10.786 15.969 1.00 0.00 H new ATOM 0 HG3 GLU A 5 92.689 9.770 15.160 1.00 0.00 H new ATOM 82 N ASP A 6 89.551 11.469 13.364 1.00 0.00 N ATOM 83 CA ASP A 6 88.300 12.134 13.828 1.00 0.00 C ATOM 84 C ASP A 6 88.325 13.621 13.465 1.00 0.00 C ATOM 85 O ASP A 6 88.978 14.410 14.120 1.00 0.00 O ATOM 86 CB ASP A 6 88.296 11.953 15.346 1.00 0.00 C ATOM 87 CG ASP A 6 87.058 12.631 15.938 1.00 0.00 C ATOM 88 OD1 ASP A 6 86.037 12.642 15.271 1.00 0.00 O ATOM 89 OD2 ASP A 6 87.153 13.126 17.050 1.00 0.00 O ATOM 0 H ASP A 6 89.414 10.669 12.747 1.00 0.00 H new ATOM 0 HA ASP A 6 87.410 11.709 13.364 1.00 0.00 H new ATOM 0 HB2 ASP A 6 88.297 10.892 15.596 1.00 0.00 H new ATOM 0 HB3 ASP A 6 89.200 12.383 15.777 1.00 0.00 H new ATOM 94 N PRO A 7 87.615 13.951 12.420 1.00 0.00 N ATOM 95 CA PRO A 7 87.554 15.354 11.948 1.00 0.00 C ATOM 96 C PRO A 7 86.519 16.159 12.742 1.00 0.00 C ATOM 97 O PRO A 7 85.994 17.147 12.266 1.00 0.00 O ATOM 98 CB PRO A 7 87.121 15.215 10.496 1.00 0.00 C ATOM 99 CG PRO A 7 86.385 13.910 10.415 1.00 0.00 C ATOM 100 CD PRO A 7 86.822 13.052 11.579 1.00 0.00 C ATOM 0 HA PRO A 7 88.500 15.882 12.069 1.00 0.00 H new ATOM 0 HB2 PRO A 7 86.481 16.045 10.197 1.00 0.00 H new ATOM 0 HB3 PRO A 7 87.982 15.221 9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 7 85.308 14.077 10.449 1.00 0.00 H new ATOM 0 HG3 PRO A 7 86.600 13.409 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.965 12.653 12.122 1.00 0.00 H new ATOM 0 HD3 PRO A 7 87.412 12.199 11.244 1.00 0.00 H new ATOM 108 N CYS A 8 86.220 15.750 13.941 1.00 0.00 N ATOM 109 CA CYS A 8 85.220 16.497 14.757 1.00 0.00 C ATOM 110 C CYS A 8 83.839 16.422 14.100 1.00 0.00 C ATOM 111 O CYS A 8 82.983 17.251 14.338 1.00 0.00 O ATOM 112 CB CYS A 8 85.725 17.940 14.776 1.00 0.00 C ATOM 113 SG CYS A 8 85.925 18.486 16.489 1.00 0.00 S ATOM 0 H CYS A 8 86.624 14.930 14.394 1.00 0.00 H new ATOM 0 HA CYS A 8 85.117 16.087 15.761 1.00 0.00 H new ATOM 0 HB2 CYS A 8 86.675 18.011 14.247 1.00 0.00 H new ATOM 0 HB3 CYS A 8 85.021 18.590 14.256 1.00 0.00 H new ATOM 0 HG CYS A 8 86.357 19.712 16.506 1.00 0.00 H new ATOM 119 N THR A 9 83.614 15.429 13.282 1.00 0.00 N ATOM 120 CA THR A 9 82.298 15.288 12.614 1.00 0.00 C ATOM 121 C THR A 9 82.239 13.962 11.851 1.00 0.00 C ATOM 122 O THR A 9 81.574 13.028 12.256 1.00 0.00 O ATOM 123 CB THR A 9 82.201 16.479 11.653 1.00 0.00 C ATOM 124 OG1 THR A 9 81.824 17.642 12.377 1.00 0.00 O ATOM 125 CG2 THR A 9 81.154 16.193 10.575 1.00 0.00 C ATOM 0 H THR A 9 84.295 14.706 13.049 1.00 0.00 H new ATOM 0 HA THR A 9 81.471 15.282 13.324 1.00 0.00 H new ATOM 0 HB THR A 9 83.171 16.638 11.181 1.00 0.00 H new ATOM 0 HG1 THR A 9 81.934 17.480 13.337 1.00 0.00 H new ATOM 0 HG21 THR A 9 81.090 17.043 9.896 1.00 0.00 H new ATOM 0 HG22 THR A 9 81.441 15.302 10.016 1.00 0.00 H new ATOM 0 HG23 THR A 9 80.184 16.030 11.044 1.00 0.00 H new ATOM 133 N SER A 10 82.930 13.874 10.751 1.00 0.00 N ATOM 134 CA SER A 10 82.918 12.611 9.958 1.00 0.00 C ATOM 135 C SER A 10 81.478 12.172 9.677 1.00 0.00 C ATOM 136 O SER A 10 81.190 10.998 9.556 1.00 0.00 O ATOM 137 CB SER A 10 83.627 11.584 10.840 1.00 0.00 C ATOM 138 OG SER A 10 82.657 10.801 11.522 1.00 0.00 O ATOM 0 H SER A 10 83.505 14.623 10.364 1.00 0.00 H new ATOM 0 HA SER A 10 83.407 12.728 8.991 1.00 0.00 H new ATOM 0 HB2 SER A 10 84.265 10.944 10.231 1.00 0.00 H new ATOM 0 HB3 SER A 10 84.274 12.089 11.558 1.00 0.00 H new ATOM 0 HG SER A 10 82.122 11.379 12.105 1.00 0.00 H new ATOM 144 N LYS A 11 80.573 13.105 9.569 1.00 0.00 N ATOM 145 CA LYS A 11 79.154 12.736 9.293 1.00 0.00 C ATOM 146 C LYS A 11 78.981 12.387 7.813 1.00 0.00 C ATOM 147 O LYS A 11 78.424 11.364 7.469 1.00 0.00 O ATOM 148 CB LYS A 11 78.342 13.980 9.651 1.00 0.00 C ATOM 149 CG LYS A 11 77.036 13.560 10.329 1.00 0.00 C ATOM 150 CD LYS A 11 75.852 13.924 9.429 1.00 0.00 C ATOM 151 CE LYS A 11 75.074 12.655 9.072 1.00 0.00 C ATOM 152 NZ LYS A 11 73.675 13.114 8.847 1.00 0.00 N ATOM 0 H LYS A 11 80.753 14.105 9.659 1.00 0.00 H new ATOM 0 HA LYS A 11 78.834 11.865 9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 11 78.918 14.624 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.128 14.558 8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 11 77.043 12.487 10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 11 76.939 14.057 11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 11 75.199 14.633 9.938 1.00 0.00 H new ATOM 0 HD3 LYS A 11 76.208 14.413 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 11 75.482 12.179 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 11 75.125 11.921 9.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 73.078 12.300 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 73.311 13.557 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 73.657 13.807 8.071 1.00 0.00 H new ATOM 166 N LYS A 12 79.459 13.226 6.936 1.00 0.00 N ATOM 167 CA LYS A 12 79.326 12.934 5.480 1.00 0.00 C ATOM 168 C LYS A 12 80.468 12.025 5.026 1.00 0.00 C ATOM 169 O LYS A 12 80.681 11.817 3.848 1.00 0.00 O ATOM 170 CB LYS A 12 79.411 14.296 4.790 1.00 0.00 C ATOM 171 CG LYS A 12 80.841 14.831 4.892 1.00 0.00 C ATOM 172 CD LYS A 12 81.465 14.892 3.497 1.00 0.00 C ATOM 173 CE LYS A 12 82.765 14.085 3.481 1.00 0.00 C ATOM 174 NZ LYS A 12 83.532 14.616 2.319 1.00 0.00 N ATOM 0 H LYS A 12 79.935 14.099 7.163 1.00 0.00 H new ATOM 0 HA LYS A 12 78.395 12.420 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 12 79.119 14.204 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 12 78.716 14.995 5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 12 80.838 15.823 5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 12 81.436 14.187 5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 12 80.769 14.494 2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 12 81.664 15.928 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 12 83.319 14.211 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 12 82.567 13.019 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 84.438 14.112 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 82.982 14.476 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 83.712 15.631 2.456 1.00 0.00 H new ATOM 188 N VAL A 13 81.196 11.477 5.956 1.00 0.00 N ATOM 189 CA VAL A 13 82.322 10.573 5.593 1.00 0.00 C ATOM 190 C VAL A 13 81.877 9.116 5.730 1.00 0.00 C ATOM 191 O VAL A 13 82.431 8.226 5.116 1.00 0.00 O ATOM 192 CB VAL A 13 83.429 10.897 6.595 1.00 0.00 C ATOM 193 CG1 VAL A 13 84.468 9.773 6.594 1.00 0.00 C ATOM 194 CG2 VAL A 13 84.105 12.212 6.199 1.00 0.00 C ATOM 0 H VAL A 13 81.059 11.617 6.957 1.00 0.00 H new ATOM 0 HA VAL A 13 82.657 10.712 4.565 1.00 0.00 H new ATOM 0 HB VAL A 13 82.998 10.992 7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.257 10.006 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.989 8.835 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.899 9.677 5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.895 12.444 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 13 84.534 12.115 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.368 13.015 6.200 1.00 0.00 H new ATOM 204 N ARG A 14 80.876 8.868 6.531 1.00 0.00 N ATOM 205 CA ARG A 14 80.393 7.470 6.706 1.00 0.00 C ATOM 206 C ARG A 14 79.442 7.095 5.565 1.00 0.00 C ATOM 207 O ARG A 14 79.329 5.945 5.192 1.00 0.00 O ATOM 208 CB ARG A 14 79.653 7.470 8.045 1.00 0.00 C ATOM 209 CG ARG A 14 78.470 8.437 7.977 1.00 0.00 C ATOM 210 CD ARG A 14 77.182 7.653 7.722 1.00 0.00 C ATOM 211 NE ARG A 14 76.119 8.418 8.430 1.00 0.00 N ATOM 212 CZ ARG A 14 75.484 7.878 9.433 1.00 0.00 C ATOM 213 NH1 ARG A 14 75.971 7.973 10.641 1.00 0.00 N ATOM 214 NH2 ARG A 14 74.362 7.243 9.231 1.00 0.00 N ATOM 0 H ARG A 14 80.373 9.573 7.071 1.00 0.00 H new ATOM 0 HA ARG A 14 81.207 6.746 6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 14 79.301 6.465 8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.331 7.764 8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 14 78.389 8.995 8.910 1.00 0.00 H new ATOM 0 HG3 ARG A 14 78.628 9.166 7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 14 76.970 7.578 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 14 77.257 6.635 8.105 1.00 0.00 H new ATOM 0 HE ARG A 14 75.887 9.365 8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 14 76.848 8.469 10.800 1.00 0.00 H new ATOM 0 HH12 ARG A 14 75.475 7.551 11.426 1.00 0.00 H new ATOM 0 HH21 ARG A 14 73.981 7.169 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 14 73.866 6.821 10.016 1.00 0.00 H new ATOM 228 N ALA A 15 78.757 8.057 5.010 1.00 0.00 N ATOM 229 CA ALA A 15 77.816 7.755 3.897 1.00 0.00 C ATOM 230 C ALA A 15 78.592 7.406 2.624 1.00 0.00 C ATOM 231 O ALA A 15 78.073 6.784 1.719 1.00 0.00 O ATOM 232 CB ALA A 15 77.009 9.037 3.697 1.00 0.00 C ATOM 0 H ALA A 15 78.809 9.039 5.280 1.00 0.00 H new ATOM 0 HA ALA A 15 77.176 6.902 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.291 8.893 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.477 9.279 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.683 9.855 3.441 1.00 0.00 H new ATOM 238 N ALA A 16 79.832 7.808 2.544 1.00 0.00 N ATOM 239 CA ALA A 16 80.637 7.503 1.327 1.00 0.00 C ATOM 240 C ALA A 16 80.934 6.006 1.246 1.00 0.00 C ATOM 241 O ALA A 16 80.866 5.407 0.192 1.00 0.00 O ATOM 242 CB ALA A 16 81.930 8.301 1.493 1.00 0.00 C ATOM 0 H ALA A 16 80.322 8.334 3.268 1.00 0.00 H new ATOM 0 HA ALA A 16 80.111 7.769 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.577 8.128 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.696 9.363 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.440 7.982 2.402 1.00 0.00 H new ATOM 248 N ARG A 17 81.257 5.399 2.348 1.00 0.00 N ATOM 249 CA ARG A 17 81.551 3.940 2.332 1.00 0.00 C ATOM 250 C ARG A 17 80.266 3.151 2.575 1.00 0.00 C ATOM 251 O ARG A 17 80.292 2.029 3.037 1.00 0.00 O ATOM 252 CB ARG A 17 82.543 3.719 3.475 1.00 0.00 C ATOM 253 CG ARG A 17 81.880 4.082 4.804 1.00 0.00 C ATOM 254 CD ARG A 17 82.701 5.167 5.504 1.00 0.00 C ATOM 255 NE ARG A 17 82.636 4.823 6.952 1.00 0.00 N ATOM 256 CZ ARG A 17 83.135 3.695 7.377 1.00 0.00 C ATOM 257 NH1 ARG A 17 84.398 3.425 7.184 1.00 0.00 N ATOM 258 NH2 ARG A 17 82.371 2.837 7.996 1.00 0.00 N ATOM 0 H ARG A 17 81.331 5.848 3.261 1.00 0.00 H new ATOM 0 HA ARG A 17 81.957 3.608 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.869 2.679 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.433 4.330 3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.863 4.435 4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.807 3.199 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.730 5.176 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.289 6.158 5.315 1.00 0.00 H new ATOM 0 HE ARG A 17 82.202 5.469 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 17 84.995 4.096 6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 17 84.788 2.543 7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 17 81.385 3.049 8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 17 82.760 1.955 8.329 1.00 0.00 H new ATOM 272 N THR A 18 79.136 3.732 2.271 1.00 0.00 N ATOM 273 CA THR A 18 77.850 3.011 2.492 1.00 0.00 C ATOM 274 C THR A 18 76.880 3.271 1.335 1.00 0.00 C ATOM 275 O THR A 18 76.847 4.347 0.770 1.00 0.00 O ATOM 276 CB THR A 18 77.295 3.587 3.795 1.00 0.00 C ATOM 277 OG1 THR A 18 78.149 3.225 4.871 1.00 0.00 O ATOM 278 CG2 THR A 18 75.891 3.033 4.045 1.00 0.00 C ATOM 0 H THR A 18 79.048 4.670 1.881 1.00 0.00 H new ATOM 0 HA THR A 18 77.990 1.931 2.546 1.00 0.00 H new ATOM 0 HB THR A 18 77.244 4.673 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.677 4.004 5.146 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.497 3.445 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.237 3.312 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.937 1.947 4.120 1.00 0.00 H new ATOM 286 N LEU A 19 76.087 2.295 0.985 1.00 0.00 N ATOM 287 CA LEU A 19 75.112 2.482 -0.129 1.00 0.00 C ATOM 288 C LEU A 19 73.807 1.745 0.184 1.00 0.00 C ATOM 289 O LEU A 19 73.739 0.943 1.094 1.00 0.00 O ATOM 290 CB LEU A 19 75.788 1.884 -1.365 1.00 0.00 C ATOM 291 CG LEU A 19 76.411 0.534 -1.011 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.849 -0.545 -1.939 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.928 0.615 -1.187 1.00 0.00 C ATOM 0 H LEU A 19 76.072 1.374 1.423 1.00 0.00 H new ATOM 0 HA LEU A 19 74.857 3.531 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.059 1.760 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.556 2.563 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 19 76.176 0.283 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.293 -1.508 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.767 -0.601 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.086 -0.295 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.375 -0.347 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.161 0.864 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.330 1.386 -0.529 1.00 0.00 H new ATOM 305 N LEU A 20 72.769 2.020 -0.556 1.00 0.00 N ATOM 306 CA LEU A 20 71.464 1.343 -0.295 1.00 0.00 C ATOM 307 C LEU A 20 71.144 0.326 -1.395 1.00 0.00 C ATOM 308 O LEU A 20 71.017 0.671 -2.551 1.00 0.00 O ATOM 309 CB LEU A 20 70.428 2.469 -0.305 1.00 0.00 C ATOM 310 CG LEU A 20 69.136 1.980 0.352 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.175 2.287 1.849 1.00 0.00 C ATOM 312 CD2 LEU A 20 67.941 2.696 -0.283 1.00 0.00 C ATOM 0 H LEU A 20 72.766 2.684 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 20 71.477 0.793 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.814 3.337 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.230 2.786 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 20 69.039 0.904 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.254 1.938 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.027 1.780 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.272 3.362 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.019 2.349 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.040 3.771 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 20 67.912 2.478 -1.351 1.00 0.00 H new ATOM 324 N ALA A 21 70.994 -0.923 -1.043 1.00 0.00 N ATOM 325 CA ALA A 21 70.661 -1.948 -2.073 1.00 0.00 C ATOM 326 C ALA A 21 69.183 -1.830 -2.452 1.00 0.00 C ATOM 327 O ALA A 21 68.337 -1.597 -1.611 1.00 0.00 O ATOM 328 CB ALA A 21 70.940 -3.292 -1.401 1.00 0.00 C ATOM 0 H ALA A 21 71.087 -1.276 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 21 71.241 -1.829 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.718 -4.100 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.989 -3.342 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.312 -3.394 -0.516 1.00 0.00 H new ATOM 334 N LYS A 22 68.861 -1.980 -3.707 1.00 0.00 N ATOM 335 CA LYS A 22 67.434 -1.866 -4.123 1.00 0.00 C ATOM 336 C LYS A 22 67.068 -2.992 -5.091 1.00 0.00 C ATOM 337 O LYS A 22 67.866 -3.860 -5.382 1.00 0.00 O ATOM 338 CB LYS A 22 67.334 -0.508 -4.820 1.00 0.00 C ATOM 339 CG LYS A 22 66.071 0.216 -4.349 1.00 0.00 C ATOM 340 CD LYS A 22 65.702 1.308 -5.356 1.00 0.00 C ATOM 341 CE LYS A 22 65.359 0.666 -6.703 1.00 0.00 C ATOM 342 NZ LYS A 22 64.027 1.225 -7.065 1.00 0.00 N ATOM 0 H LYS A 22 69.521 -2.176 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 22 66.752 -1.944 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.215 0.093 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.306 -0.643 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.249 -0.493 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 22 66.236 0.655 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 22 64.853 1.884 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 22 66.532 2.004 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 22 66.107 0.907 -7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.324 -0.421 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.722 0.832 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.334 0.974 -6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.093 2.260 -7.138 1.00 0.00 H new ATOM 356 N ASN A 23 65.863 -2.984 -5.591 1.00 0.00 N ATOM 357 CA ASN A 23 65.440 -4.053 -6.539 1.00 0.00 C ATOM 358 C ASN A 23 65.645 -5.430 -5.905 1.00 0.00 C ATOM 359 O ASN A 23 65.674 -6.439 -6.581 1.00 0.00 O ATOM 360 CB ASN A 23 66.348 -3.883 -7.758 1.00 0.00 C ATOM 361 CG ASN A 23 65.665 -4.479 -8.991 1.00 0.00 C ATOM 362 OD1 ASN A 23 65.365 -3.773 -9.933 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.404 -5.757 -9.023 1.00 0.00 N ATOM 0 H ASN A 23 65.152 -2.282 -5.384 1.00 0.00 H new ATOM 0 HA ASN A 23 64.385 -3.978 -6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.560 -2.827 -7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.304 -4.377 -7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.948 -6.164 -9.839 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.656 -6.349 -8.232 1.00 0.00 H new ATOM 370 N LEU A 24 65.789 -5.480 -4.608 1.00 0.00 N ATOM 371 CA LEU A 24 65.991 -6.791 -3.929 1.00 0.00 C ATOM 372 C LEU A 24 64.698 -7.611 -3.964 1.00 0.00 C ATOM 373 O LEU A 24 63.845 -7.407 -4.805 1.00 0.00 O ATOM 374 CB LEU A 24 66.364 -6.437 -2.490 1.00 0.00 C ATOM 375 CG LEU A 24 67.700 -5.691 -2.477 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.787 -4.818 -1.224 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.846 -6.704 -2.474 1.00 0.00 C ATOM 0 H LEU A 24 65.775 -4.669 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 24 66.760 -7.393 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.586 -5.818 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.436 -7.343 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 24 67.773 -5.060 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.739 -4.287 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.969 -4.097 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.715 -5.447 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.799 -6.175 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.772 -7.334 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.785 -7.325 -3.367 1.00 0.00 H new ATOM 389 N SER A 25 64.545 -8.536 -3.057 1.00 0.00 N ATOM 390 CA SER A 25 63.307 -9.367 -3.041 1.00 0.00 C ATOM 391 C SER A 25 62.692 -9.370 -1.640 1.00 0.00 C ATOM 392 O SER A 25 63.122 -8.650 -0.760 1.00 0.00 O ATOM 393 CB SER A 25 63.767 -10.771 -3.428 1.00 0.00 C ATOM 394 OG SER A 25 62.630 -11.611 -3.586 1.00 0.00 O ATOM 0 H SER A 25 65.223 -8.753 -2.326 1.00 0.00 H new ATOM 0 HA SER A 25 62.545 -8.987 -3.722 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.339 -10.736 -4.355 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.428 -11.174 -2.660 1.00 0.00 H new ATOM 0 HG SER A 25 62.849 -12.347 -4.196 1.00 0.00 H new ATOM 400 N PHE A 26 61.688 -10.176 -1.425 1.00 0.00 N ATOM 401 CA PHE A 26 61.045 -10.226 -0.083 1.00 0.00 C ATOM 402 C PHE A 26 61.726 -11.285 0.789 1.00 0.00 C ATOM 403 O PHE A 26 61.703 -11.213 2.002 1.00 0.00 O ATOM 404 CB PHE A 26 59.595 -10.615 -0.366 1.00 0.00 C ATOM 405 CG PHE A 26 58.705 -9.403 -0.226 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.721 -8.405 -1.208 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.859 -9.279 0.883 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.894 -7.284 -1.082 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.030 -8.157 1.008 1.00 0.00 C ATOM 410 CZ PHE A 26 57.047 -7.159 0.026 1.00 0.00 C ATOM 0 H PHE A 26 61.286 -10.802 -2.122 1.00 0.00 H new ATOM 0 HA PHE A 26 61.120 -9.280 0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.509 -11.027 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.276 -11.394 0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.373 -8.501 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.846 -10.048 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.909 -6.514 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.377 -8.061 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.408 -6.294 0.123 1.00 0.00 H new ATOM 420 N ASN A 27 62.329 -12.271 0.181 1.00 0.00 N ATOM 421 CA ASN A 27 63.005 -13.335 0.969 1.00 0.00 C ATOM 422 C ASN A 27 64.478 -12.983 1.198 1.00 0.00 C ATOM 423 O ASN A 27 65.029 -13.241 2.249 1.00 0.00 O ATOM 424 CB ASN A 27 62.882 -14.597 0.115 1.00 0.00 C ATOM 425 CG ASN A 27 63.619 -15.751 0.801 1.00 0.00 C ATOM 426 OD1 ASN A 27 64.085 -15.612 1.914 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.744 -16.890 0.177 1.00 0.00 N ATOM 0 H ASN A 27 62.381 -12.383 -0.831 1.00 0.00 H new ATOM 0 HA ASN A 27 62.557 -13.461 1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.832 -14.854 -0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.301 -14.421 -0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 27 64.234 -17.665 0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 27 63.352 -17.005 -0.758 1.00 0.00 H new ATOM 434 N ILE A 28 65.120 -12.400 0.222 1.00 0.00 N ATOM 435 CA ILE A 28 66.559 -12.036 0.386 1.00 0.00 C ATOM 436 C ILE A 28 66.802 -11.441 1.776 1.00 0.00 C ATOM 437 O ILE A 28 65.882 -11.019 2.449 1.00 0.00 O ATOM 438 CB ILE A 28 66.829 -10.996 -0.702 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.319 -10.644 -0.712 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.010 -9.736 -0.420 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.821 -10.589 -2.155 1.00 0.00 C ATOM 0 H ILE A 28 64.712 -12.160 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 28 67.217 -12.900 0.296 1.00 0.00 H new ATOM 0 HB ILE A 28 66.544 -11.404 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.480 -9.683 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.883 -11.387 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.203 -8.995 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.949 -9.986 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.293 -9.327 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.882 -10.338 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.674 -11.560 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.265 -9.830 -2.705 1.00 0.00 H new ATOM 453 N THR A 29 68.032 -11.406 2.215 1.00 0.00 N ATOM 454 CA THR A 29 68.323 -10.841 3.565 1.00 0.00 C ATOM 455 C THR A 29 69.788 -10.404 3.666 1.00 0.00 C ATOM 456 O THR A 29 70.553 -10.522 2.726 1.00 0.00 O ATOM 457 CB THR A 29 68.048 -11.987 4.539 1.00 0.00 C ATOM 458 OG1 THR A 29 68.634 -13.181 4.035 1.00 0.00 O ATOM 459 CG2 THR A 29 66.539 -12.182 4.692 1.00 0.00 C ATOM 0 H THR A 29 68.845 -11.743 1.699 1.00 0.00 H new ATOM 0 HA THR A 29 67.716 -9.961 3.776 1.00 0.00 H new ATOM 0 HB THR A 29 68.479 -11.750 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.462 -13.918 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.346 -12.999 5.387 1.00 0.00 H new ATOM 0 HG22 THR A 29 66.091 -11.266 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 29 66.103 -12.420 3.722 1.00 0.00 H new ATOM 467 N GLU A 30 70.183 -9.906 4.807 1.00 0.00 N ATOM 468 CA GLU A 30 71.597 -9.468 4.977 1.00 0.00 C ATOM 469 C GLU A 30 72.538 -10.599 4.565 1.00 0.00 C ATOM 470 O GLU A 30 73.616 -10.371 4.057 1.00 0.00 O ATOM 471 CB GLU A 30 71.744 -9.161 6.468 1.00 0.00 C ATOM 472 CG GLU A 30 73.222 -8.955 6.803 1.00 0.00 C ATOM 473 CD GLU A 30 73.384 -8.776 8.313 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.407 -8.430 8.957 1.00 0.00 O ATOM 475 OE2 GLU A 30 74.483 -8.987 8.801 1.00 0.00 O ATOM 0 H GLU A 30 69.588 -9.784 5.627 1.00 0.00 H new ATOM 0 HA GLU A 30 71.843 -8.602 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 30 71.174 -8.268 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.336 -9.980 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.805 -9.811 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 30 73.606 -8.079 6.279 1.00 0.00 H new ATOM 482 N ASP A 31 72.131 -11.820 4.774 1.00 0.00 N ATOM 483 CA ASP A 31 72.996 -12.968 4.386 1.00 0.00 C ATOM 484 C ASP A 31 73.296 -12.895 2.889 1.00 0.00 C ATOM 485 O ASP A 31 74.433 -12.964 2.465 1.00 0.00 O ATOM 486 CB ASP A 31 72.175 -14.216 4.713 1.00 0.00 C ATOM 487 CG ASP A 31 72.627 -14.785 6.058 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.429 -14.116 7.059 1.00 0.00 O ATOM 489 OD2 ASP A 31 73.165 -15.881 6.064 1.00 0.00 O ATOM 0 H ASP A 31 71.237 -12.072 5.196 1.00 0.00 H new ATOM 0 HA ASP A 31 73.952 -12.971 4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.114 -13.967 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.301 -14.963 3.929 1.00 0.00 H new ATOM 494 N GLU A 32 72.280 -12.740 2.089 1.00 0.00 N ATOM 495 CA GLU A 32 72.499 -12.646 0.619 1.00 0.00 C ATOM 496 C GLU A 32 73.206 -11.333 0.288 1.00 0.00 C ATOM 497 O GLU A 32 74.059 -11.270 -0.580 1.00 0.00 O ATOM 498 CB GLU A 32 71.099 -12.677 0.004 1.00 0.00 C ATOM 499 CG GLU A 32 70.683 -14.128 -0.247 1.00 0.00 C ATOM 500 CD GLU A 32 69.500 -14.159 -1.216 1.00 0.00 C ATOM 501 OE1 GLU A 32 68.706 -13.234 -1.179 1.00 0.00 O ATOM 502 OE2 GLU A 32 69.408 -15.106 -1.979 1.00 0.00 O ATOM 0 H GLU A 32 71.307 -12.674 2.389 1.00 0.00 H new ATOM 0 HA GLU A 32 73.123 -13.454 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.386 -12.194 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.089 -12.118 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 32 71.520 -14.691 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.409 -14.607 0.693 1.00 0.00 H new ATOM 509 N LEU A 33 72.880 -10.290 0.995 1.00 0.00 N ATOM 510 CA LEU A 33 73.547 -8.989 0.742 1.00 0.00 C ATOM 511 C LEU A 33 74.989 -9.101 1.210 1.00 0.00 C ATOM 512 O LEU A 33 75.909 -8.634 0.566 1.00 0.00 O ATOM 513 CB LEU A 33 72.779 -7.969 1.584 1.00 0.00 C ATOM 514 CG LEU A 33 71.523 -7.528 0.830 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.290 -7.786 1.698 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.620 -6.035 0.514 1.00 0.00 C ATOM 0 H LEU A 33 72.180 -10.284 1.737 1.00 0.00 H new ATOM 0 HA LEU A 33 73.550 -8.699 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.505 -8.406 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.411 -7.106 1.795 1.00 0.00 H new ATOM 0 HG LEU A 33 71.438 -8.093 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.395 -7.472 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.222 -8.850 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.374 -7.220 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.726 -5.718 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.704 -5.471 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.499 -5.850 -0.103 1.00 0.00 H new ATOM 528 N LYS A 34 75.191 -9.746 2.324 1.00 0.00 N ATOM 529 CA LYS A 34 76.569 -9.921 2.832 1.00 0.00 C ATOM 530 C LYS A 34 77.280 -10.959 1.972 1.00 0.00 C ATOM 531 O LYS A 34 78.491 -10.986 1.870 1.00 0.00 O ATOM 532 CB LYS A 34 76.415 -10.410 4.272 1.00 0.00 C ATOM 533 CG LYS A 34 77.799 -10.626 4.889 1.00 0.00 C ATOM 534 CD LYS A 34 78.127 -9.461 5.827 1.00 0.00 C ATOM 535 CE LYS A 34 78.013 -9.927 7.279 1.00 0.00 C ATOM 536 NZ LYS A 34 76.579 -10.287 7.457 1.00 0.00 N ATOM 0 H LYS A 34 74.458 -10.158 2.901 1.00 0.00 H new ATOM 0 HA LYS A 34 77.157 -9.004 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.854 -9.681 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.847 -11.340 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.821 -11.567 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.552 -10.698 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 34 79.134 -9.094 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.444 -8.631 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.661 -10.782 7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.311 -9.139 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 76.349 -10.304 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 75.982 -9.583 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 76.403 -11.226 7.046 1.00 0.00 H new ATOM 550 N GLU A 35 76.518 -11.801 1.341 1.00 0.00 N ATOM 551 CA GLU A 35 77.107 -12.839 0.461 1.00 0.00 C ATOM 552 C GLU A 35 77.397 -12.232 -0.912 1.00 0.00 C ATOM 553 O GLU A 35 78.276 -12.670 -1.625 1.00 0.00 O ATOM 554 CB GLU A 35 76.040 -13.930 0.357 1.00 0.00 C ATOM 555 CG GLU A 35 76.462 -14.958 -0.694 1.00 0.00 C ATOM 556 CD GLU A 35 76.110 -16.364 -0.203 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.948 -16.598 0.083 1.00 0.00 O ATOM 558 OE2 GLU A 35 77.010 -17.184 -0.121 1.00 0.00 O ATOM 0 H GLU A 35 75.500 -11.814 1.399 1.00 0.00 H new ATOM 0 HA GLU A 35 78.045 -13.237 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.906 -14.416 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.080 -13.490 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 35 75.959 -14.755 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.533 -14.884 -0.881 1.00 0.00 H new ATOM 565 N VAL A 36 76.667 -11.211 -1.278 1.00 0.00 N ATOM 566 CA VAL A 36 76.906 -10.559 -2.593 1.00 0.00 C ATOM 567 C VAL A 36 78.060 -9.572 -2.456 1.00 0.00 C ATOM 568 O VAL A 36 78.937 -9.502 -3.293 1.00 0.00 O ATOM 569 CB VAL A 36 75.601 -9.824 -2.916 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.862 -8.743 -3.969 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.576 -10.820 -3.458 1.00 0.00 C ATOM 0 H VAL A 36 75.916 -10.803 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 36 77.169 -11.268 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 36 75.217 -9.359 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.931 -8.223 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.592 -8.030 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.249 -9.205 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.647 -10.298 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 36 74.965 -11.285 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.384 -11.588 -2.709 1.00 0.00 H new ATOM 581 N PHE A 37 78.064 -8.807 -1.399 1.00 0.00 N ATOM 582 CA PHE A 37 79.154 -7.826 -1.201 1.00 0.00 C ATOM 583 C PHE A 37 80.418 -8.533 -0.712 1.00 0.00 C ATOM 584 O PHE A 37 81.513 -8.257 -1.163 1.00 0.00 O ATOM 585 CB PHE A 37 78.616 -6.866 -0.142 1.00 0.00 C ATOM 586 CG PHE A 37 77.202 -6.466 -0.492 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.782 -6.470 -1.828 1.00 0.00 C ATOM 588 CD2 PHE A 37 76.311 -6.094 0.520 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.470 -6.102 -2.151 1.00 0.00 C ATOM 590 CE2 PHE A 37 75.000 -5.726 0.198 1.00 0.00 C ATOM 591 CZ PHE A 37 74.579 -5.731 -1.138 1.00 0.00 C ATOM 0 H PHE A 37 77.355 -8.823 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 37 79.428 -7.307 -2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 37 78.638 -7.341 0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 37 79.251 -5.982 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.470 -6.757 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 37 76.635 -6.091 1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 37 75.146 -6.105 -3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 37 74.313 -5.438 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.567 -5.448 -1.386 1.00 0.00 H new ATOM 601 N GLU A 38 80.264 -9.450 0.198 1.00 0.00 N ATOM 602 CA GLU A 38 81.441 -10.202 0.729 1.00 0.00 C ATOM 603 C GLU A 38 82.653 -9.279 0.879 1.00 0.00 C ATOM 604 O GLU A 38 83.786 -9.701 0.752 1.00 0.00 O ATOM 605 CB GLU A 38 81.719 -11.284 -0.315 1.00 0.00 C ATOM 606 CG GLU A 38 81.309 -12.649 0.240 1.00 0.00 C ATOM 607 CD GLU A 38 81.526 -13.722 -0.829 1.00 0.00 C ATOM 608 OE1 GLU A 38 80.923 -13.608 -1.884 1.00 0.00 O ATOM 609 OE2 GLU A 38 82.291 -14.637 -0.575 1.00 0.00 O ATOM 0 H GLU A 38 79.366 -9.716 0.603 1.00 0.00 H new ATOM 0 HA GLU A 38 81.246 -10.621 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.166 -11.071 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.777 -11.289 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.895 -12.883 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.262 -12.630 0.544 1.00 0.00 H new ATOM 616 N ASP A 39 82.427 -8.022 1.145 1.00 0.00 N ATOM 617 CA ASP A 39 83.573 -7.077 1.298 1.00 0.00 C ATOM 618 C ASP A 39 83.188 -5.916 2.216 1.00 0.00 C ATOM 619 O ASP A 39 83.997 -5.422 2.977 1.00 0.00 O ATOM 620 CB ASP A 39 83.859 -6.570 -0.115 1.00 0.00 C ATOM 621 CG ASP A 39 85.260 -5.956 -0.164 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.721 -5.500 0.869 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.847 -5.953 -1.233 1.00 0.00 O ATOM 0 H ASP A 39 81.502 -7.608 1.263 1.00 0.00 H new ATOM 0 HA ASP A 39 84.444 -7.556 1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.785 -7.390 -0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.115 -5.828 -0.404 1.00 0.00 H new ATOM 628 N ALA A 40 81.965 -5.470 2.150 1.00 0.00 N ATOM 629 CA ALA A 40 81.541 -4.338 3.018 1.00 0.00 C ATOM 630 C ALA A 40 81.644 -4.729 4.496 1.00 0.00 C ATOM 631 O ALA A 40 82.214 -5.745 4.842 1.00 0.00 O ATOM 632 CB ALA A 40 80.087 -4.065 2.634 1.00 0.00 C ATOM 0 H ALA A 40 81.242 -5.840 1.533 1.00 0.00 H new ATOM 0 HA ALA A 40 82.170 -3.459 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.701 -3.240 3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.033 -3.803 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.489 -4.957 2.817 1.00 0.00 H new ATOM 638 N LEU A 41 81.094 -3.930 5.370 1.00 0.00 N ATOM 639 CA LEU A 41 81.154 -4.251 6.821 1.00 0.00 C ATOM 640 C LEU A 41 79.843 -4.894 7.261 1.00 0.00 C ATOM 641 O LEU A 41 79.825 -5.875 7.977 1.00 0.00 O ATOM 642 CB LEU A 41 81.334 -2.913 7.549 1.00 0.00 C ATOM 643 CG LEU A 41 82.233 -1.982 6.739 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.228 -0.590 7.374 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.658 -2.536 6.730 1.00 0.00 C ATOM 0 H LEU A 41 80.604 -3.066 5.138 1.00 0.00 H new ATOM 0 HA LEU A 41 81.967 -4.943 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.363 -2.444 7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.769 -3.083 8.534 1.00 0.00 H new ATOM 0 HG LEU A 41 81.863 -1.914 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.870 0.076 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.211 -0.197 7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.600 -0.655 8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.302 -1.873 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.029 -2.602 7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.660 -3.528 6.279 1.00 0.00 H new ATOM 657 N GLU A 42 78.745 -4.334 6.841 1.00 0.00 N ATOM 658 CA GLU A 42 77.422 -4.896 7.239 1.00 0.00 C ATOM 659 C GLU A 42 76.333 -4.447 6.266 1.00 0.00 C ATOM 660 O GLU A 42 76.524 -3.542 5.475 1.00 0.00 O ATOM 661 CB GLU A 42 77.157 -4.328 8.633 1.00 0.00 C ATOM 662 CG GLU A 42 78.067 -5.021 9.650 1.00 0.00 C ATOM 663 CD GLU A 42 77.403 -5.004 11.027 1.00 0.00 C ATOM 664 OE1 GLU A 42 77.172 -3.920 11.538 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.135 -6.074 11.547 1.00 0.00 O ATOM 0 H GLU A 42 78.704 -3.511 6.239 1.00 0.00 H new ATOM 0 HA GLU A 42 77.421 -5.986 7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.339 -3.253 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.112 -4.476 8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.259 -6.048 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 42 79.032 -4.515 9.694 1.00 0.00 H new ATOM 672 N ILE A 43 75.190 -5.074 6.318 1.00 0.00 N ATOM 673 CA ILE A 43 74.085 -4.688 5.397 1.00 0.00 C ATOM 674 C ILE A 43 72.763 -4.568 6.160 1.00 0.00 C ATOM 675 O ILE A 43 72.516 -5.273 7.117 1.00 0.00 O ATOM 676 CB ILE A 43 74.002 -5.825 4.379 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.298 -5.880 3.569 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.823 -5.580 3.437 1.00 0.00 C ATOM 679 CD1 ILE A 43 76.229 -6.940 4.163 1.00 0.00 C ATOM 0 H ILE A 43 74.974 -5.837 6.959 1.00 0.00 H new ATOM 0 HA ILE A 43 74.269 -3.722 4.926 1.00 0.00 H new ATOM 0 HB ILE A 43 73.860 -6.771 4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.078 -6.116 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.787 -4.906 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.763 -6.390 2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.899 -5.540 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.965 -4.634 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 43 77.152 -6.978 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.459 -6.684 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.740 -7.913 4.130 1.00 0.00 H new ATOM 691 N ARG A 44 71.909 -3.684 5.727 1.00 0.00 N ATOM 692 CA ARG A 44 70.594 -3.510 6.404 1.00 0.00 C ATOM 693 C ARG A 44 69.470 -3.663 5.375 1.00 0.00 C ATOM 694 O ARG A 44 69.710 -3.682 4.185 1.00 0.00 O ATOM 695 CB ARG A 44 70.625 -2.090 6.968 1.00 0.00 C ATOM 696 CG ARG A 44 71.065 -2.134 8.431 1.00 0.00 C ATOM 697 CD ARG A 44 70.276 -1.097 9.234 1.00 0.00 C ATOM 698 NE ARG A 44 70.955 -1.040 10.559 1.00 0.00 N ATOM 699 CZ ARG A 44 70.638 -0.108 11.416 1.00 0.00 C ATOM 700 NH1 ARG A 44 70.639 1.144 11.049 1.00 0.00 N ATOM 701 NH2 ARG A 44 70.319 -0.429 12.639 1.00 0.00 N ATOM 0 H ARG A 44 72.067 -3.070 4.928 1.00 0.00 H new ATOM 0 HA ARG A 44 70.419 -4.247 7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.311 -1.472 6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.639 -1.633 6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 44 70.899 -3.130 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.133 -1.932 8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 44 70.287 -0.124 8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.231 -1.389 9.338 1.00 0.00 H new ATOM 0 HE ARG A 44 71.668 -1.730 10.796 1.00 0.00 H new ATOM 0 HH11 ARG A 44 70.888 1.395 10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 44 70.391 1.872 11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 44 70.317 -1.408 12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 44 70.071 0.299 13.309 1.00 0.00 H new ATOM 715 N LEU A 45 68.248 -3.773 5.816 1.00 0.00 N ATOM 716 CA LEU A 45 67.125 -3.929 4.848 1.00 0.00 C ATOM 717 C LEU A 45 66.267 -2.665 4.817 1.00 0.00 C ATOM 718 O LEU A 45 66.340 -1.832 5.699 1.00 0.00 O ATOM 719 CB LEU A 45 66.314 -5.116 5.368 1.00 0.00 C ATOM 720 CG LEU A 45 65.414 -5.645 4.251 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.257 -5.929 3.006 1.00 0.00 C ATOM 722 CD2 LEU A 45 64.737 -6.936 4.712 1.00 0.00 C ATOM 0 H LEU A 45 67.978 -3.762 6.800 1.00 0.00 H new ATOM 0 HA LEU A 45 67.481 -4.092 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.983 -5.904 5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.710 -4.811 6.223 1.00 0.00 H new ATOM 0 HG LEU A 45 64.655 -4.900 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.615 -6.306 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.741 -5.010 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.017 -6.674 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.095 -7.314 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.497 -7.680 4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 45 64.136 -6.735 5.599 1.00 0.00 H new ATOM 734 N VAL A 46 65.455 -2.515 3.806 1.00 0.00 N ATOM 735 CA VAL A 46 64.596 -1.303 3.718 1.00 0.00 C ATOM 736 C VAL A 46 63.355 -1.580 2.860 1.00 0.00 C ATOM 737 O VAL A 46 63.437 -2.130 1.768 1.00 0.00 O ATOM 738 CB VAL A 46 65.482 -0.239 3.074 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.660 1.025 2.825 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.647 0.084 4.012 1.00 0.00 C ATOM 0 H VAL A 46 65.350 -3.179 3.039 1.00 0.00 H new ATOM 0 HA VAL A 46 64.227 -0.987 4.694 1.00 0.00 H new ATOM 0 HB VAL A 46 65.870 -0.610 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.292 1.785 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.829 0.793 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.273 1.400 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.282 0.843 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.258 0.457 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.232 -0.819 4.190 1.00 0.00 H new ATOM 750 N SER A 47 62.208 -1.201 3.360 1.00 0.00 N ATOM 751 CA SER A 47 60.937 -1.426 2.614 1.00 0.00 C ATOM 752 C SER A 47 60.201 -0.099 2.414 1.00 0.00 C ATOM 753 O SER A 47 60.806 0.944 2.265 1.00 0.00 O ATOM 754 CB SER A 47 60.124 -2.358 3.508 1.00 0.00 C ATOM 755 OG SER A 47 59.560 -1.611 4.577 1.00 0.00 O ATOM 0 H SER A 47 62.098 -0.740 4.263 1.00 0.00 H new ATOM 0 HA SER A 47 61.104 -1.848 1.623 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.335 -2.839 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.761 -3.151 3.900 1.00 0.00 H new ATOM 0 HG SER A 47 59.036 -2.207 5.152 1.00 0.00 H new ATOM 761 N GLN A 48 58.895 -0.131 2.409 1.00 0.00 N ATOM 762 CA GLN A 48 58.119 1.128 2.220 1.00 0.00 C ATOM 763 C GLN A 48 57.514 1.582 3.551 1.00 0.00 C ATOM 764 O GLN A 48 58.099 1.409 4.601 1.00 0.00 O ATOM 765 CB GLN A 48 57.016 0.767 1.223 1.00 0.00 C ATOM 766 CG GLN A 48 56.613 2.014 0.434 1.00 0.00 C ATOM 767 CD GLN A 48 57.233 1.958 -0.962 1.00 0.00 C ATOM 768 OE1 GLN A 48 58.428 2.113 -1.116 1.00 0.00 O ATOM 769 NE2 GLN A 48 56.467 1.740 -1.995 1.00 0.00 N ATOM 0 H GLN A 48 58.333 -0.974 2.528 1.00 0.00 H new ATOM 0 HA GLN A 48 58.741 1.947 1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 48 57.366 -0.009 0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 48 56.152 0.363 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 48 55.527 2.074 0.359 1.00 0.00 H new ATOM 0 HG3 GLN A 48 56.947 2.911 0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 48 55.463 1.610 -1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 48 56.872 1.700 -2.930 1.00 0.00 H new ATOM 778 N ASP A 49 56.344 2.161 3.515 1.00 0.00 N ATOM 779 CA ASP A 49 55.704 2.625 4.779 1.00 0.00 C ATOM 780 C ASP A 49 55.515 1.447 5.740 1.00 0.00 C ATOM 781 O ASP A 49 55.407 1.621 6.938 1.00 0.00 O ATOM 782 CB ASP A 49 54.348 3.190 4.353 1.00 0.00 C ATOM 783 CG ASP A 49 54.404 4.719 4.370 1.00 0.00 C ATOM 784 OD1 ASP A 49 55.501 5.251 4.400 1.00 0.00 O ATOM 785 OD2 ASP A 49 53.348 5.331 4.353 1.00 0.00 O ATOM 0 H ASP A 49 55.805 2.332 2.666 1.00 0.00 H new ATOM 0 HA ASP A 49 56.310 3.367 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 49 54.092 2.836 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 49 53.567 2.837 5.026 1.00 0.00 H new ATOM 790 N GLY A 50 55.476 0.249 5.224 1.00 0.00 N ATOM 791 CA GLY A 50 55.295 -0.938 6.107 1.00 0.00 C ATOM 792 C GLY A 50 55.148 -2.195 5.248 1.00 0.00 C ATOM 793 O GLY A 50 54.284 -3.018 5.477 1.00 0.00 O ATOM 0 H GLY A 50 55.562 0.041 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 50 56.149 -1.040 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.413 -0.807 6.733 1.00 0.00 H new ATOM 797 N LYS A 51 55.987 -2.353 4.261 1.00 0.00 N ATOM 798 CA LYS A 51 55.899 -3.554 3.388 1.00 0.00 C ATOM 799 C LYS A 51 57.202 -3.718 2.609 1.00 0.00 C ATOM 800 O LYS A 51 57.575 -2.863 1.829 1.00 0.00 O ATOM 801 CB LYS A 51 54.734 -3.268 2.442 1.00 0.00 C ATOM 802 CG LYS A 51 55.131 -2.166 1.457 1.00 0.00 C ATOM 803 CD LYS A 51 53.883 -1.393 1.026 1.00 0.00 C ATOM 804 CE LYS A 51 53.443 -0.461 2.157 1.00 0.00 C ATOM 805 NZ LYS A 51 52.430 0.439 1.541 1.00 0.00 N ATOM 0 H LYS A 51 56.732 -1.698 4.022 1.00 0.00 H new ATOM 0 HA LYS A 51 55.743 -4.474 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.462 -4.174 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 51 53.857 -2.962 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 51 55.848 -1.489 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 51 55.621 -2.601 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 51 54.093 -0.816 0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 51 53.080 -2.087 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 51 53.018 -1.023 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 51 54.286 0.106 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 52.080 1.109 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 52.865 0.966 0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 51.636 -0.128 1.180 1.00 0.00 H new ATOM 819 N SER A 52 57.901 -4.801 2.823 1.00 0.00 N ATOM 820 CA SER A 52 59.188 -5.019 2.105 1.00 0.00 C ATOM 821 C SER A 52 59.088 -4.526 0.664 1.00 0.00 C ATOM 822 O SER A 52 58.163 -4.847 -0.056 1.00 0.00 O ATOM 823 CB SER A 52 59.412 -6.525 2.139 1.00 0.00 C ATOM 824 OG SER A 52 60.801 -6.793 2.277 1.00 0.00 O ATOM 0 H SER A 52 57.634 -5.546 3.467 1.00 0.00 H new ATOM 0 HA SER A 52 60.010 -4.473 2.567 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.861 -6.967 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 52 59.031 -6.981 1.225 1.00 0.00 H new ATOM 0 HG SER A 52 60.946 -7.762 2.301 1.00 0.00 H new ATOM 830 N LYS A 53 60.038 -3.747 0.243 1.00 0.00 N ATOM 831 CA LYS A 53 60.017 -3.223 -1.150 1.00 0.00 C ATOM 832 C LYS A 53 61.244 -3.733 -1.901 1.00 0.00 C ATOM 833 O LYS A 53 61.298 -3.717 -3.115 1.00 0.00 O ATOM 834 CB LYS A 53 60.068 -1.702 -1.005 1.00 0.00 C ATOM 835 CG LYS A 53 58.847 -1.083 -1.690 1.00 0.00 C ATOM 836 CD LYS A 53 58.888 -1.394 -3.187 1.00 0.00 C ATOM 837 CE LYS A 53 57.577 -2.061 -3.608 1.00 0.00 C ATOM 838 NZ LYS A 53 56.714 -0.945 -4.085 1.00 0.00 N ATOM 0 H LYS A 53 60.834 -3.447 0.805 1.00 0.00 H new ATOM 0 HA LYS A 53 59.136 -3.542 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 53 60.085 -1.427 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 53 60.984 -1.314 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 53 57.931 -1.479 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.836 -0.005 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 53 59.040 -0.476 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 53 59.730 -2.050 -3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 53 57.743 -2.796 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 53 57.116 -2.588 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 55.948 -1.327 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 56.305 -0.448 -3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 57.285 -0.280 -4.644 1.00 0.00 H new ATOM 852 N GLY A 54 62.230 -4.190 -1.182 1.00 0.00 N ATOM 853 CA GLY A 54 63.455 -4.708 -1.842 1.00 0.00 C ATOM 854 C GLY A 54 64.605 -3.718 -1.652 1.00 0.00 C ATOM 855 O GLY A 54 65.543 -3.696 -2.423 1.00 0.00 O ATOM 0 H GLY A 54 62.238 -4.226 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.724 -5.677 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.269 -4.863 -2.905 1.00 0.00 H new ATOM 859 N ILE A 55 64.555 -2.901 -0.630 1.00 0.00 N ATOM 860 CA ILE A 55 65.667 -1.936 -0.419 1.00 0.00 C ATOM 861 C ILE A 55 66.507 -2.382 0.778 1.00 0.00 C ATOM 862 O ILE A 55 66.077 -3.185 1.578 1.00 0.00 O ATOM 863 CB ILE A 55 64.983 -0.596 -0.142 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.882 -0.365 -1.180 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.013 0.532 -0.237 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.124 0.919 -0.842 1.00 0.00 C ATOM 0 H ILE A 55 63.802 -2.863 0.057 1.00 0.00 H new ATOM 0 HA ILE A 55 66.339 -1.869 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 55 64.548 -0.609 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.317 -0.292 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.196 -1.212 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.526 1.487 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.801 0.368 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.447 0.546 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.340 1.084 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.677 0.828 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.814 1.762 -0.851 1.00 0.00 H new ATOM 878 N ALA A 56 67.703 -1.880 0.906 1.00 0.00 N ATOM 879 CA ALA A 56 68.554 -2.295 2.055 1.00 0.00 C ATOM 880 C ALA A 56 69.756 -1.360 2.188 1.00 0.00 C ATOM 881 O ALA A 56 70.194 -0.756 1.230 1.00 0.00 O ATOM 882 CB ALA A 56 69.014 -3.711 1.711 1.00 0.00 C ATOM 0 H ALA A 56 68.126 -1.205 0.269 1.00 0.00 H new ATOM 0 HA ALA A 56 68.017 -2.257 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.649 -4.092 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.145 -4.359 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.577 -3.694 0.778 1.00 0.00 H new ATOM 888 N TYR A 57 70.300 -1.242 3.365 1.00 0.00 N ATOM 889 CA TYR A 57 71.482 -0.354 3.549 1.00 0.00 C ATOM 890 C TYR A 57 72.755 -1.201 3.555 1.00 0.00 C ATOM 891 O TYR A 57 72.725 -2.373 3.868 1.00 0.00 O ATOM 892 CB TYR A 57 71.266 0.324 4.903 1.00 0.00 C ATOM 893 CG TYR A 57 70.903 1.773 4.683 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.857 2.667 4.184 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.609 2.222 4.976 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.519 4.010 3.980 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.270 3.564 4.771 1.00 0.00 C ATOM 898 CZ TYR A 57 70.225 4.459 4.273 1.00 0.00 C ATOM 899 OH TYR A 57 69.891 5.783 4.071 1.00 0.00 O ATOM 0 H TYR A 57 69.979 -1.720 4.207 1.00 0.00 H new ATOM 0 HA TYR A 57 71.588 0.382 2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.473 -0.182 5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.170 0.251 5.507 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.854 2.321 3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.872 1.532 5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.256 4.700 3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.272 3.910 4.997 1.00 0.00 H new ATOM 0 HH TYR A 57 68.955 5.926 4.323 1.00 0.00 H new ATOM 909 N ILE A 58 73.871 -0.632 3.198 1.00 0.00 N ATOM 910 CA ILE A 58 75.127 -1.437 3.176 1.00 0.00 C ATOM 911 C ILE A 58 76.339 -0.556 3.493 1.00 0.00 C ATOM 912 O ILE A 58 76.624 0.398 2.795 1.00 0.00 O ATOM 913 CB ILE A 58 75.220 -1.989 1.750 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.834 -2.447 1.280 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.175 -3.182 1.723 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.956 -3.135 -0.082 1.00 0.00 C ATOM 0 H ILE A 58 73.970 0.345 2.923 1.00 0.00 H new ATOM 0 HA ILE A 58 75.116 -2.231 3.922 1.00 0.00 H new ATOM 0 HB ILE A 58 75.590 -1.206 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.400 -3.133 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.162 -1.592 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.240 -3.573 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.164 -2.864 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.803 -3.961 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.970 -3.460 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.372 -2.435 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.613 -4.000 0.005 1.00 0.00 H new ATOM 928 N GLU A 59 77.059 -0.875 4.535 1.00 0.00 N ATOM 929 CA GLU A 59 78.261 -0.061 4.891 1.00 0.00 C ATOM 930 C GLU A 59 79.527 -0.844 4.554 1.00 0.00 C ATOM 931 O GLU A 59 79.664 -1.998 4.911 1.00 0.00 O ATOM 932 CB GLU A 59 78.176 0.171 6.402 1.00 0.00 C ATOM 933 CG GLU A 59 76.726 0.428 6.813 1.00 0.00 C ATOM 934 CD GLU A 59 76.649 1.713 7.640 1.00 0.00 C ATOM 935 OE1 GLU A 59 77.691 2.181 8.069 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.549 2.206 7.830 1.00 0.00 O ATOM 0 H GLU A 59 76.869 -1.662 5.155 1.00 0.00 H new ATOM 0 HA GLU A 59 78.292 0.880 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.564 -0.698 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.798 1.021 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.096 0.515 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.347 -0.413 7.393 1.00 0.00 H new ATOM 943 N PHE A 60 80.457 -0.240 3.870 1.00 0.00 N ATOM 944 CA PHE A 60 81.700 -0.976 3.525 1.00 0.00 C ATOM 945 C PHE A 60 82.889 -0.424 4.307 1.00 0.00 C ATOM 946 O PHE A 60 82.798 0.581 4.984 1.00 0.00 O ATOM 947 CB PHE A 60 81.906 -0.755 2.029 1.00 0.00 C ATOM 948 CG PHE A 60 80.764 -1.375 1.261 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.471 -0.854 1.384 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.001 -2.473 0.425 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.415 -1.432 0.670 1.00 0.00 C ATOM 952 CE2 PHE A 60 79.945 -3.050 -0.289 1.00 0.00 C ATOM 953 CZ PHE A 60 78.651 -2.529 -0.166 1.00 0.00 C ATOM 0 H PHE A 60 80.410 0.723 3.538 1.00 0.00 H new ATOM 0 HA PHE A 60 81.619 -2.034 3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.965 0.312 1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.851 -1.196 1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.288 -0.007 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.999 -2.875 0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.417 -1.031 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.128 -3.896 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.835 -2.974 -0.716 1.00 0.00 H new ATOM 963 N LYS A 61 84.003 -1.087 4.215 1.00 0.00 N ATOM 964 CA LYS A 61 85.217 -0.625 4.949 1.00 0.00 C ATOM 965 C LYS A 61 85.646 0.756 4.451 1.00 0.00 C ATOM 966 O LYS A 61 86.403 1.452 5.097 1.00 0.00 O ATOM 967 CB LYS A 61 86.291 -1.666 4.632 1.00 0.00 C ATOM 968 CG LYS A 61 87.095 -1.971 5.897 1.00 0.00 C ATOM 969 CD LYS A 61 88.483 -2.485 5.509 1.00 0.00 C ATOM 970 CE LYS A 61 89.205 -2.998 6.757 1.00 0.00 C ATOM 971 NZ LYS A 61 90.308 -3.854 6.239 1.00 0.00 N ATOM 0 H LYS A 61 84.130 -1.934 3.661 1.00 0.00 H new ATOM 0 HA LYS A 61 85.040 -0.533 6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.828 -2.578 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.952 -1.295 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.186 -1.073 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.575 -2.716 6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.394 -3.284 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 61 89.061 -1.687 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.593 -2.174 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 61 88.531 -3.567 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.850 -4.243 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.908 -4.634 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 90.937 -3.284 5.639 1.00 0.00 H new ATOM 985 N SER A 62 85.167 1.159 3.306 1.00 0.00 N ATOM 986 CA SER A 62 85.549 2.495 2.771 1.00 0.00 C ATOM 987 C SER A 62 84.863 2.740 1.425 1.00 0.00 C ATOM 988 O SER A 62 84.297 1.841 0.833 1.00 0.00 O ATOM 989 CB SER A 62 87.066 2.434 2.594 1.00 0.00 C ATOM 990 OG SER A 62 87.474 1.075 2.513 1.00 0.00 O ATOM 0 H SER A 62 84.529 0.622 2.719 1.00 0.00 H new ATOM 0 HA SER A 62 85.249 3.306 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.360 2.969 1.691 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.562 2.925 3.431 1.00 0.00 H new ATOM 0 HG SER A 62 88.446 1.032 2.398 1.00 0.00 H new ATOM 996 N GLU A 63 84.908 3.948 0.938 1.00 0.00 N ATOM 997 CA GLU A 63 84.259 4.247 -0.368 1.00 0.00 C ATOM 998 C GLU A 63 84.787 3.302 -1.448 1.00 0.00 C ATOM 999 O GLU A 63 84.054 2.854 -2.305 1.00 0.00 O ATOM 1000 CB GLU A 63 84.648 5.692 -0.684 1.00 0.00 C ATOM 1001 CG GLU A 63 84.339 6.580 0.524 1.00 0.00 C ATOM 1002 CD GLU A 63 85.637 7.196 1.050 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.207 8.016 0.349 1.00 0.00 O ATOM 1004 OE2 GLU A 63 86.039 6.837 2.145 1.00 0.00 O ATOM 0 H GLU A 63 85.366 4.741 1.388 1.00 0.00 H new ATOM 0 HA GLU A 63 83.178 4.115 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.709 5.749 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.100 6.045 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.639 7.366 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.859 5.993 1.307 1.00 0.00 H new ATOM 1011 N ALA A 64 86.055 2.992 -1.414 1.00 0.00 N ATOM 1012 CA ALA A 64 86.622 2.076 -2.438 1.00 0.00 C ATOM 1013 C ALA A 64 85.944 0.713 -2.347 1.00 0.00 C ATOM 1014 O ALA A 64 85.644 0.088 -3.346 1.00 0.00 O ATOM 1015 CB ALA A 64 88.109 1.966 -2.098 1.00 0.00 C ATOM 0 H ALA A 64 86.720 3.335 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 64 86.469 2.441 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.598 1.304 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.567 2.954 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.223 1.562 -1.092 1.00 0.00 H new ATOM 1021 N ASP A 65 85.683 0.252 -1.157 1.00 0.00 N ATOM 1022 CA ASP A 65 85.004 -1.064 -1.008 1.00 0.00 C ATOM 1023 C ASP A 65 83.557 -0.927 -1.477 1.00 0.00 C ATOM 1024 O ASP A 65 83.094 -1.653 -2.336 1.00 0.00 O ATOM 1025 CB ASP A 65 85.063 -1.380 0.487 1.00 0.00 C ATOM 1026 CG ASP A 65 84.490 -2.776 0.737 1.00 0.00 C ATOM 1027 OD1 ASP A 65 84.026 -3.384 -0.214 1.00 0.00 O ATOM 1028 OD2 ASP A 65 84.526 -3.215 1.874 1.00 0.00 O ATOM 0 H ASP A 65 85.910 0.728 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 65 85.470 -1.855 -1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 65 86.093 -1.330 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.497 -0.637 1.049 1.00 0.00 H new ATOM 1033 N ALA A 66 82.846 0.017 -0.925 1.00 0.00 N ATOM 1034 CA ALA A 66 81.433 0.224 -1.343 1.00 0.00 C ATOM 1035 C ALA A 66 81.381 0.614 -2.823 1.00 0.00 C ATOM 1036 O ALA A 66 80.436 0.305 -3.522 1.00 0.00 O ATOM 1037 CB ALA A 66 80.926 1.368 -0.464 1.00 0.00 C ATOM 0 H ALA A 66 83.183 0.653 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 66 80.826 -0.674 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.886 1.583 -0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.998 1.080 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.532 2.257 -0.639 1.00 0.00 H new ATOM 1043 N GLU A 67 82.392 1.286 -3.310 1.00 0.00 N ATOM 1044 CA GLU A 67 82.396 1.686 -4.745 1.00 0.00 C ATOM 1045 C GLU A 67 82.636 0.459 -5.625 1.00 0.00 C ATOM 1046 O GLU A 67 81.893 0.191 -6.549 1.00 0.00 O ATOM 1047 CB GLU A 67 83.550 2.679 -4.883 1.00 0.00 C ATOM 1048 CG GLU A 67 83.107 4.052 -4.372 1.00 0.00 C ATOM 1049 CD GLU A 67 82.784 4.959 -5.560 1.00 0.00 C ATOM 1050 OE1 GLU A 67 82.670 4.444 -6.660 1.00 0.00 O ATOM 1051 OE2 GLU A 67 82.658 6.155 -5.351 1.00 0.00 O ATOM 0 H GLU A 67 83.212 1.574 -2.776 1.00 0.00 H new ATOM 0 HA GLU A 67 81.448 2.125 -5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.414 2.330 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 67 83.860 2.750 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.231 3.948 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.895 4.497 -3.765 1.00 0.00 H new ATOM 1058 N LYS A 68 83.664 -0.293 -5.343 1.00 0.00 N ATOM 1059 CA LYS A 68 83.945 -1.505 -6.160 1.00 0.00 C ATOM 1060 C LYS A 68 82.773 -2.480 -6.050 1.00 0.00 C ATOM 1061 O LYS A 68 82.422 -3.158 -6.995 1.00 0.00 O ATOM 1062 CB LYS A 68 85.210 -2.113 -5.552 1.00 0.00 C ATOM 1063 CG LYS A 68 85.559 -3.408 -6.288 1.00 0.00 C ATOM 1064 CD LYS A 68 86.124 -3.074 -7.670 1.00 0.00 C ATOM 1065 CE LYS A 68 87.651 -3.172 -7.636 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.059 -3.304 -9.062 1.00 0.00 N ATOM 0 H LYS A 68 84.321 -0.120 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 68 84.078 -1.275 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.037 -1.407 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.056 -2.315 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.288 -3.980 -5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.671 -4.033 -6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.722 -3.761 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 68 85.820 -2.070 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.093 -2.287 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.979 -4.031 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.095 -3.377 -9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.628 -4.159 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.739 -2.469 -9.593 1.00 0.00 H new ATOM 1080 N ASN A 69 82.158 -2.549 -4.902 1.00 0.00 N ATOM 1081 CA ASN A 69 81.004 -3.472 -4.731 1.00 0.00 C ATOM 1082 C ASN A 69 79.767 -2.896 -5.425 1.00 0.00 C ATOM 1083 O ASN A 69 79.114 -3.561 -6.204 1.00 0.00 O ATOM 1084 CB ASN A 69 80.786 -3.550 -3.221 1.00 0.00 C ATOM 1085 CG ASN A 69 81.392 -4.847 -2.684 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.692 -5.684 -2.148 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.676 -5.051 -2.806 1.00 0.00 N ATOM 0 H ASN A 69 82.406 -2.005 -4.075 1.00 0.00 H new ATOM 0 HA ASN A 69 81.186 -4.454 -5.167 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.246 -2.691 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.720 -3.513 -2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.091 -5.913 -2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.263 -4.349 -3.256 1.00 0.00 H new ATOM 1094 N LEU A 70 79.443 -1.663 -5.150 1.00 0.00 N ATOM 1095 CA LEU A 70 78.248 -1.045 -5.793 1.00 0.00 C ATOM 1096 C LEU A 70 78.429 -0.989 -7.312 1.00 0.00 C ATOM 1097 O LEU A 70 77.472 -1.006 -8.060 1.00 0.00 O ATOM 1098 CB LEU A 70 78.167 0.366 -5.210 1.00 0.00 C ATOM 1099 CG LEU A 70 76.942 1.085 -5.776 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.340 1.993 -4.702 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.362 1.931 -6.981 1.00 0.00 C ATOM 0 H LEU A 70 79.953 -1.056 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 70 77.339 -1.617 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.103 0.318 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.072 0.923 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 70 76.200 0.349 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.467 2.505 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.043 1.392 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.081 2.729 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.490 2.445 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.104 2.666 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 70 77.791 1.285 -7.747 1.00 0.00 H new ATOM 1113 N GLU A 71 79.645 -0.926 -7.774 1.00 0.00 N ATOM 1114 CA GLU A 71 79.878 -0.872 -9.245 1.00 0.00 C ATOM 1115 C GLU A 71 80.104 -2.285 -9.792 1.00 0.00 C ATOM 1116 O GLU A 71 79.839 -2.564 -10.944 1.00 0.00 O ATOM 1117 CB GLU A 71 81.131 -0.011 -9.424 1.00 0.00 C ATOM 1118 CG GLU A 71 82.372 -0.818 -9.037 1.00 0.00 C ATOM 1119 CD GLU A 71 83.019 -1.395 -10.297 1.00 0.00 C ATOM 1120 OE1 GLU A 71 82.528 -2.401 -10.784 1.00 0.00 O ATOM 1121 OE2 GLU A 71 83.994 -0.822 -10.754 1.00 0.00 O ATOM 0 H GLU A 71 80.487 -0.910 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 71 79.027 -0.456 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.210 0.322 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.060 0.884 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.083 -0.182 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.097 -1.623 -8.355 1.00 0.00 H new ATOM 1128 N GLU A 72 80.592 -3.178 -8.973 1.00 0.00 N ATOM 1129 CA GLU A 72 80.834 -4.564 -9.441 1.00 0.00 C ATOM 1130 C GLU A 72 79.690 -5.485 -9.003 1.00 0.00 C ATOM 1131 O GLU A 72 79.630 -6.637 -9.381 1.00 0.00 O ATOM 1132 CB GLU A 72 82.146 -4.984 -8.781 1.00 0.00 C ATOM 1133 CG GLU A 72 82.744 -6.171 -9.540 1.00 0.00 C ATOM 1134 CD GLU A 72 83.187 -5.716 -10.931 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.284 -5.191 -11.040 1.00 0.00 O ATOM 1136 OE2 GLU A 72 82.424 -5.900 -11.865 1.00 0.00 O ATOM 0 H GLU A 72 80.833 -3.002 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 72 80.887 -4.626 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.847 -4.150 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.971 -5.256 -7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.594 -6.577 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.008 -6.970 -9.625 1.00 0.00 H new ATOM 1143 N LYS A 73 78.782 -4.987 -8.206 1.00 0.00 N ATOM 1144 CA LYS A 73 77.647 -5.840 -7.747 1.00 0.00 C ATOM 1145 C LYS A 73 76.323 -5.316 -8.311 1.00 0.00 C ATOM 1146 O LYS A 73 75.367 -6.052 -8.441 1.00 0.00 O ATOM 1147 CB LYS A 73 77.658 -5.734 -6.221 1.00 0.00 C ATOM 1148 CG LYS A 73 79.053 -6.076 -5.695 1.00 0.00 C ATOM 1149 CD LYS A 73 79.132 -7.574 -5.396 1.00 0.00 C ATOM 1150 CE LYS A 73 80.599 -8.003 -5.319 1.00 0.00 C ATOM 1151 NZ LYS A 73 80.877 -8.658 -6.627 1.00 0.00 N ATOM 0 H LYS A 73 78.777 -4.030 -7.854 1.00 0.00 H new ATOM 0 HA LYS A 73 77.748 -6.871 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.379 -4.726 -5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.920 -6.413 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 73 79.808 -5.801 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.264 -5.502 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.628 -7.795 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.617 -8.138 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 73 81.253 -7.146 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 73 80.766 -8.690 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 81.866 -8.980 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.244 -9.474 -6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 80.716 -7.978 -7.397 1.00 0.00 H new ATOM 1165 N GLN A 74 76.264 -4.050 -8.638 1.00 0.00 N ATOM 1166 CA GLN A 74 75.008 -3.463 -9.192 1.00 0.00 C ATOM 1167 C GLN A 74 74.316 -4.455 -10.128 1.00 0.00 C ATOM 1168 O GLN A 74 74.587 -4.504 -11.311 1.00 0.00 O ATOM 1169 CB GLN A 74 75.458 -2.223 -9.966 1.00 0.00 C ATOM 1170 CG GLN A 74 74.274 -1.648 -10.746 1.00 0.00 C ATOM 1171 CD GLN A 74 73.788 -0.367 -10.065 1.00 0.00 C ATOM 1172 OE1 GLN A 74 72.797 -0.377 -9.363 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.449 0.744 -10.246 1.00 0.00 N ATOM 0 H GLN A 74 77.039 -3.393 -8.544 1.00 0.00 H new ATOM 0 HA GLN A 74 74.291 -3.220 -8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.851 -1.475 -9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.266 -2.482 -10.650 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.570 -1.436 -11.773 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.466 -2.378 -10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.281 0.752 -10.836 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.133 1.604 -9.798 1.00 0.00 H new ATOM 1182 N GLY A 75 73.430 -5.246 -9.599 1.00 0.00 N ATOM 1183 CA GLY A 75 72.715 -6.242 -10.443 1.00 0.00 C ATOM 1184 C GLY A 75 72.818 -7.624 -9.795 1.00 0.00 C ATOM 1185 O GLY A 75 71.841 -8.170 -9.328 1.00 0.00 O ATOM 0 H GLY A 75 73.168 -5.247 -8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.669 -5.957 -10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.147 -6.264 -11.444 1.00 0.00 H new ATOM 1189 N ALA A 76 73.999 -8.184 -9.758 1.00 0.00 N ATOM 1190 CA ALA A 76 74.180 -9.532 -9.137 1.00 0.00 C ATOM 1191 C ALA A 76 72.977 -10.435 -9.437 1.00 0.00 C ATOM 1192 O ALA A 76 71.987 -10.418 -8.733 1.00 0.00 O ATOM 1193 CB ALA A 76 74.286 -9.263 -7.636 1.00 0.00 C ATOM 0 H ALA A 76 74.850 -7.765 -10.132 1.00 0.00 H new ATOM 0 HA ALA A 76 75.059 -10.046 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.421 -10.206 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.139 -8.613 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.374 -8.778 -7.288 1.00 0.00 H new ATOM 1199 N GLU A 77 73.055 -11.224 -10.474 1.00 0.00 N ATOM 1200 CA GLU A 77 71.914 -12.125 -10.812 1.00 0.00 C ATOM 1201 C GLU A 77 71.583 -13.029 -9.621 1.00 0.00 C ATOM 1202 O GLU A 77 72.094 -14.125 -9.501 1.00 0.00 O ATOM 1203 CB GLU A 77 72.402 -12.955 -11.999 1.00 0.00 C ATOM 1204 CG GLU A 77 71.518 -12.677 -13.216 1.00 0.00 C ATOM 1205 CD GLU A 77 72.179 -11.614 -14.095 1.00 0.00 C ATOM 1206 OE1 GLU A 77 73.391 -11.497 -14.038 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.460 -10.936 -14.811 1.00 0.00 O ATOM 0 H GLU A 77 73.857 -11.284 -11.101 1.00 0.00 H new ATOM 0 HA GLU A 77 71.006 -11.571 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.439 -12.709 -12.226 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.373 -14.016 -11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.368 -13.594 -13.786 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.534 -12.337 -12.894 1.00 0.00 H new ATOM 1214 N ILE A 78 70.731 -12.579 -8.740 1.00 0.00 N ATOM 1215 CA ILE A 78 70.365 -13.413 -7.557 1.00 0.00 C ATOM 1216 C ILE A 78 68.856 -13.357 -7.333 1.00 0.00 C ATOM 1217 O ILE A 78 68.145 -12.673 -8.040 1.00 0.00 O ATOM 1218 CB ILE A 78 71.087 -12.782 -6.365 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.547 -12.493 -6.722 1.00 0.00 C ATOM 1220 CG2 ILE A 78 71.043 -13.746 -5.178 1.00 0.00 C ATOM 1221 CD1 ILE A 78 73.078 -11.397 -5.802 1.00 0.00 C ATOM 0 H ILE A 78 70.272 -11.669 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 78 70.646 -14.457 -7.695 1.00 0.00 H new ATOM 0 HB ILE A 78 70.591 -11.847 -6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 78 73.146 -13.397 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.625 -12.180 -7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.557 -13.299 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 78 70.006 -13.947 -4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.535 -14.680 -5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 78 74.118 -11.186 -6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.483 -10.493 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 78 73.013 -11.729 -4.766 1.00 0.00 H new ATOM 1233 N ASP A 79 68.362 -14.065 -6.354 1.00 0.00 N ATOM 1234 CA ASP A 79 66.896 -14.042 -6.090 1.00 0.00 C ATOM 1235 C ASP A 79 66.133 -14.103 -7.415 1.00 0.00 C ATOM 1236 O ASP A 79 65.050 -13.568 -7.546 1.00 0.00 O ATOM 1237 CB ASP A 79 66.643 -12.709 -5.384 1.00 0.00 C ATOM 1238 CG ASP A 79 65.388 -12.821 -4.516 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.302 -12.793 -5.072 1.00 0.00 O ATOM 1240 OD2 ASP A 79 65.534 -12.935 -3.310 1.00 0.00 O ATOM 0 H ASP A 79 68.908 -14.656 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 79 66.564 -14.888 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 79 67.502 -12.443 -4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.520 -11.914 -6.119 1.00 0.00 H new ATOM 1245 N GLY A 80 66.697 -14.748 -8.398 1.00 0.00 N ATOM 1246 CA GLY A 80 66.019 -14.840 -9.714 1.00 0.00 C ATOM 1247 C GLY A 80 65.857 -13.438 -10.301 1.00 0.00 C ATOM 1248 O GLY A 80 64.891 -13.146 -10.976 1.00 0.00 O ATOM 0 H GLY A 80 67.602 -15.216 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.600 -15.465 -10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 80 65.044 -15.314 -9.601 1.00 0.00 H new ATOM 1252 N ARG A 81 66.797 -12.564 -10.049 1.00 0.00 N ATOM 1253 CA ARG A 81 66.690 -11.181 -10.595 1.00 0.00 C ATOM 1254 C ARG A 81 67.934 -10.372 -10.227 1.00 0.00 C ATOM 1255 O ARG A 81 68.697 -10.748 -9.359 1.00 0.00 O ATOM 1256 CB ARG A 81 65.449 -10.588 -9.929 1.00 0.00 C ATOM 1257 CG ARG A 81 65.594 -10.675 -8.409 1.00 0.00 C ATOM 1258 CD ARG A 81 64.233 -10.432 -7.750 1.00 0.00 C ATOM 1259 NE ARG A 81 63.749 -9.150 -8.333 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.507 -8.784 -8.162 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.542 -9.486 -8.687 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.233 -7.715 -7.465 1.00 0.00 N ATOM 0 H ARG A 81 67.631 -12.748 -9.491 1.00 0.00 H new ATOM 0 HA ARG A 81 66.614 -11.170 -11.682 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.321 -9.549 -10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.558 -11.127 -10.251 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.977 -11.655 -8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.316 -9.937 -8.059 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.541 -11.248 -7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.325 -10.363 -6.666 1.00 0.00 H new ATOM 0 HE ARG A 81 64.387 -8.558 -8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.757 -10.321 -9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.572 -9.200 -8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 81 62.989 -7.166 -7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.263 -7.428 -7.331 1.00 0.00 H new ATOM 1276 N SER A 82 68.147 -9.265 -10.883 1.00 0.00 N ATOM 1277 CA SER A 82 69.344 -8.436 -10.571 1.00 0.00 C ATOM 1278 C SER A 82 68.985 -7.342 -9.562 1.00 0.00 C ATOM 1279 O SER A 82 68.006 -6.638 -9.714 1.00 0.00 O ATOM 1280 CB SER A 82 69.750 -7.820 -11.906 1.00 0.00 C ATOM 1281 OG SER A 82 68.586 -7.566 -12.680 1.00 0.00 O ATOM 0 H SER A 82 67.545 -8.899 -11.621 1.00 0.00 H new ATOM 0 HA SER A 82 70.149 -9.022 -10.127 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.299 -6.893 -11.740 1.00 0.00 H new ATOM 0 HB3 SER A 82 70.417 -8.494 -12.443 1.00 0.00 H new ATOM 0 HG SER A 82 68.844 -7.168 -13.538 1.00 0.00 H new ATOM 1287 N VAL A 83 69.774 -7.194 -8.536 1.00 0.00 N ATOM 1288 CA VAL A 83 69.488 -6.144 -7.518 1.00 0.00 C ATOM 1289 C VAL A 83 70.229 -4.854 -7.879 1.00 0.00 C ATOM 1290 O VAL A 83 71.247 -4.879 -8.542 1.00 0.00 O ATOM 1291 CB VAL A 83 70.007 -6.719 -6.200 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.466 -7.147 -6.368 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.911 -5.654 -5.106 1.00 0.00 C ATOM 0 H VAL A 83 70.607 -7.756 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 83 68.428 -5.896 -7.459 1.00 0.00 H new ATOM 0 HB VAL A 83 69.405 -7.584 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 83 71.835 -7.557 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.535 -7.906 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.069 -6.283 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.281 -6.064 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 83 70.512 -4.789 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 83 68.871 -5.349 -4.985 1.00 0.00 H new ATOM 1303 N SER A 84 69.728 -3.728 -7.455 1.00 0.00 N ATOM 1304 CA SER A 84 70.407 -2.443 -7.784 1.00 0.00 C ATOM 1305 C SER A 84 71.043 -1.842 -6.530 1.00 0.00 C ATOM 1306 O SER A 84 70.572 -2.039 -5.428 1.00 0.00 O ATOM 1307 CB SER A 84 69.298 -1.533 -8.310 1.00 0.00 C ATOM 1308 OG SER A 84 69.258 -1.614 -9.729 1.00 0.00 O ATOM 0 H SER A 84 68.879 -3.641 -6.896 1.00 0.00 H new ATOM 0 HA SER A 84 71.207 -2.575 -8.512 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.337 -1.831 -7.890 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.477 -0.504 -7.998 1.00 0.00 H new ATOM 0 HG SER A 84 68.546 -1.033 -10.070 1.00 0.00 H new ATOM 1314 N LEU A 85 72.109 -1.109 -6.690 1.00 0.00 N ATOM 1315 CA LEU A 85 72.773 -0.494 -5.507 1.00 0.00 C ATOM 1316 C LEU A 85 72.590 1.024 -5.535 1.00 0.00 C ATOM 1317 O LEU A 85 72.779 1.664 -6.551 1.00 0.00 O ATOM 1318 CB LEU A 85 74.250 -0.864 -5.647 1.00 0.00 C ATOM 1319 CG LEU A 85 74.426 -2.360 -5.383 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.460 -2.935 -6.352 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.904 -2.570 -3.945 1.00 0.00 C ATOM 0 H LEU A 85 72.549 -0.909 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 85 72.355 -0.846 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.605 -0.616 -6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.849 -0.286 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 85 73.472 -2.868 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.584 -4.001 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.120 -2.786 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.414 -2.428 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 85 75.030 -3.636 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 85 75.857 -2.061 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 85 74.166 -2.163 -3.253 1.00 0.00 H new ATOM 1333 N TYR A 86 72.221 1.606 -4.428 1.00 0.00 N ATOM 1334 CA TYR A 86 72.022 3.082 -4.392 1.00 0.00 C ATOM 1335 C TYR A 86 72.977 3.718 -3.388 1.00 0.00 C ATOM 1336 O TYR A 86 72.696 3.784 -2.209 1.00 0.00 O ATOM 1337 CB TYR A 86 70.584 3.284 -3.932 1.00 0.00 C ATOM 1338 CG TYR A 86 69.641 3.107 -5.095 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.422 1.834 -5.630 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.982 4.217 -5.632 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.543 1.670 -6.706 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.103 4.055 -6.707 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.882 2.782 -7.245 1.00 0.00 C ATOM 1344 OH TYR A 86 67.014 2.622 -8.306 1.00 0.00 O ATOM 0 H TYR A 86 72.049 1.123 -3.546 1.00 0.00 H new ATOM 0 HA TYR A 86 72.213 3.539 -5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.342 2.570 -3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.466 4.280 -3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 86 69.931 0.978 -5.213 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.152 5.199 -5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.374 0.687 -7.121 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.594 4.912 -7.122 1.00 0.00 H new ATOM 0 HH TYR A 86 66.640 3.492 -8.557 1.00 0.00 H new ATOM 1354 N TYR A 87 74.098 4.188 -3.842 1.00 0.00 N ATOM 1355 CA TYR A 87 75.066 4.823 -2.917 1.00 0.00 C ATOM 1356 C TYR A 87 74.368 5.907 -2.093 1.00 0.00 C ATOM 1357 O TYR A 87 73.161 6.041 -2.114 1.00 0.00 O ATOM 1358 CB TYR A 87 76.122 5.444 -3.827 1.00 0.00 C ATOM 1359 CG TYR A 87 77.506 5.155 -3.291 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.692 4.876 -1.932 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.603 5.165 -4.161 1.00 0.00 C ATOM 1362 CE1 TYR A 87 78.977 4.607 -1.443 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.887 4.896 -3.672 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.074 4.617 -2.313 1.00 0.00 C ATOM 1365 OH TYR A 87 81.339 4.352 -1.832 1.00 0.00 O ATOM 0 H TYR A 87 74.387 4.159 -4.820 1.00 0.00 H new ATOM 0 HA TYR A 87 75.498 4.113 -2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.024 5.044 -4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 87 75.967 6.521 -3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 87 76.846 4.868 -1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.459 5.380 -5.209 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.121 4.392 -0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.733 4.904 -4.343 1.00 0.00 H new ATOM 0 HH TYR A 87 81.561 4.993 -1.124 1.00 0.00 H new ATOM 1375 N THR A 88 75.119 6.686 -1.374 1.00 0.00 N ATOM 1376 CA THR A 88 74.497 7.765 -0.552 1.00 0.00 C ATOM 1377 C THR A 88 75.569 8.543 0.214 1.00 0.00 C ATOM 1378 O THR A 88 75.356 8.976 1.329 1.00 0.00 O ATOM 1379 CB THR A 88 73.566 7.039 0.418 1.00 0.00 C ATOM 1380 OG1 THR A 88 73.168 7.932 1.449 1.00 0.00 O ATOM 1381 CG2 THR A 88 74.296 5.842 1.031 1.00 0.00 C ATOM 0 H THR A 88 76.136 6.626 -1.317 1.00 0.00 H new ATOM 0 HA THR A 88 73.963 8.490 -1.166 1.00 0.00 H new ATOM 0 HB THR A 88 72.685 6.688 -0.119 1.00 0.00 H new ATOM 0 HG1 THR A 88 73.963 8.293 1.894 1.00 0.00 H new ATOM 0 HG21 THR A 88 73.631 5.325 1.723 1.00 0.00 H new ATOM 0 HG22 THR A 88 74.600 5.157 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 88 75.178 6.190 1.568 1.00 0.00 H new ATOM 1389 N GLY A 89 76.718 8.725 -0.373 1.00 0.00 N ATOM 1390 CA GLY A 89 77.800 9.477 0.326 1.00 0.00 C ATOM 1391 C GLY A 89 78.449 10.474 -0.622 1.00 0.00 C ATOM 1392 O GLY A 89 79.423 11.126 -0.299 1.00 0.00 O ATOM 0 H GLY A 89 76.956 8.387 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 89 77.389 10.001 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 89 78.550 8.782 0.703 1.00 0.00 H new ATOM 1396 N GLU A 90 77.911 10.590 -1.782 1.00 0.00 N ATOM 1397 CA GLU A 90 78.468 11.539 -2.788 1.00 0.00 C ATOM 1398 C GLU A 90 77.381 11.938 -3.792 1.00 0.00 C ATOM 1399 O GLU A 90 76.259 12.223 -3.423 1.00 0.00 O ATOM 1400 CB GLU A 90 79.592 10.765 -3.479 1.00 0.00 C ATOM 1401 CG GLU A 90 78.999 9.586 -4.253 1.00 0.00 C ATOM 1402 CD GLU A 90 79.886 8.354 -4.065 1.00 0.00 C ATOM 1403 OE1 GLU A 90 80.205 8.047 -2.928 1.00 0.00 O ATOM 1404 OE2 GLU A 90 80.232 7.739 -5.060 1.00 0.00 O ATOM 0 H GLU A 90 77.094 10.064 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 90 78.832 12.462 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 90 80.137 11.422 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.308 10.405 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 90 77.989 9.377 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 90 78.922 9.834 -5.312 1.00 0.00 H new ATOM 1411 N LYS A 91 77.700 11.961 -5.058 1.00 0.00 N ATOM 1412 CA LYS A 91 76.679 12.342 -6.076 1.00 0.00 C ATOM 1413 C LYS A 91 76.157 11.094 -6.795 1.00 0.00 C ATOM 1414 O LYS A 91 74.966 10.903 -6.938 1.00 0.00 O ATOM 1415 CB LYS A 91 77.418 13.255 -7.054 1.00 0.00 C ATOM 1416 CG LYS A 91 76.524 13.539 -8.262 1.00 0.00 C ATOM 1417 CD LYS A 91 76.227 15.038 -8.338 1.00 0.00 C ATOM 1418 CE LYS A 91 75.817 15.407 -9.765 1.00 0.00 C ATOM 1419 NZ LYS A 91 74.511 14.723 -9.978 1.00 0.00 N ATOM 0 H LYS A 91 78.622 11.733 -5.431 1.00 0.00 H new ATOM 0 HA LYS A 91 75.815 12.836 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 91 77.690 14.189 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 91 78.346 12.784 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 91 77.016 13.208 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 91 75.594 12.977 -8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 91 75.430 15.297 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 91 77.107 15.609 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 91 75.721 16.486 -9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 91 76.561 15.073 -10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 74.482 14.320 -10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 74.400 13.961 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 73.738 15.410 -9.868 1.00 0.00 H new ATOM 1433 N GLY A 92 77.039 10.247 -7.247 1.00 0.00 N ATOM 1434 CA GLY A 92 76.593 9.013 -7.955 1.00 0.00 C ATOM 1435 C GLY A 92 75.535 9.377 -8.998 1.00 0.00 C ATOM 1436 O GLY A 92 75.247 10.534 -9.227 1.00 0.00 O ATOM 0 H GLY A 92 78.049 10.355 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.443 8.530 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.184 8.299 -7.240 1.00 0.00 H new ATOM 1440 N GLY A 93 74.953 8.395 -9.633 1.00 0.00 N ATOM 1441 CA GLY A 93 73.914 8.686 -10.660 1.00 0.00 C ATOM 1442 C GLY A 93 74.547 9.439 -11.831 1.00 0.00 C ATOM 1443 O GLY A 93 75.745 9.400 -12.031 1.00 0.00 O ATOM 0 H GLY A 93 75.152 7.406 -9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 93 73.466 7.757 -11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 93 73.112 9.281 -10.223 1.00 0.00 H new ATOM 1447 N THR A 94 73.754 10.128 -12.605 1.00 0.00 N ATOM 1448 CA THR A 94 74.313 10.884 -13.762 1.00 0.00 C ATOM 1449 C THR A 94 73.462 12.126 -14.043 1.00 0.00 C ATOM 1450 O THR A 94 73.407 12.614 -15.155 1.00 0.00 O ATOM 1451 CB THR A 94 74.247 9.911 -14.940 1.00 0.00 C ATOM 1452 OG1 THR A 94 74.926 10.472 -16.054 1.00 0.00 O ATOM 1453 CG2 THR A 94 72.786 9.650 -15.309 1.00 0.00 C ATOM 0 H THR A 94 72.743 10.200 -12.487 1.00 0.00 H new ATOM 0 HA THR A 94 75.330 11.231 -13.577 1.00 0.00 H new ATOM 0 HB THR A 94 74.721 8.970 -14.661 1.00 0.00 H new ATOM 0 HG1 THR A 94 74.647 11.404 -16.171 1.00 0.00 H new ATOM 0 HG21 THR A 94 72.741 8.956 -16.149 1.00 0.00 H new ATOM 0 HG22 THR A 94 72.266 9.218 -14.454 1.00 0.00 H new ATOM 0 HG23 THR A 94 72.308 10.589 -15.588 1.00 0.00 H new ATOM 1461 N ARG A 95 72.799 12.641 -13.044 1.00 0.00 N ATOM 1462 CA ARG A 95 71.953 13.850 -13.255 1.00 0.00 C ATOM 1463 C ARG A 95 71.113 13.694 -14.525 1.00 0.00 C ATOM 1464 O ARG A 95 70.920 12.602 -15.023 1.00 0.00 O ATOM 1465 CB ARG A 95 72.944 15.005 -13.406 1.00 0.00 C ATOM 1466 CG ARG A 95 72.816 15.949 -12.209 1.00 0.00 C ATOM 1467 CD ARG A 95 72.066 17.214 -12.632 1.00 0.00 C ATOM 1468 NE ARG A 95 70.989 17.380 -11.617 1.00 0.00 N ATOM 1469 CZ ARG A 95 69.830 16.809 -11.798 1.00 0.00 C ATOM 1470 NH1 ARG A 95 69.238 16.885 -12.959 1.00 0.00 N ATOM 1471 NH2 ARG A 95 69.261 16.161 -10.817 1.00 0.00 N ATOM 0 H ARG A 95 72.806 12.277 -12.091 1.00 0.00 H new ATOM 0 HA ARG A 95 71.256 14.015 -12.433 1.00 0.00 H new ATOM 0 HB2 ARG A 95 73.961 14.619 -13.471 1.00 0.00 H new ATOM 0 HB3 ARG A 95 72.749 15.546 -14.332 1.00 0.00 H new ATOM 0 HG2 ARG A 95 72.284 15.453 -11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 95 73.805 16.209 -11.831 1.00 0.00 H new ATOM 0 HD2 ARG A 95 72.729 18.079 -12.649 1.00 0.00 H new ATOM 0 HD3 ARG A 95 71.651 17.110 -13.635 1.00 0.00 H new ATOM 0 HE ARG A 95 71.157 17.940 -10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 95 69.682 17.391 -13.725 1.00 0.00 H new ATOM 0 HH12 ARG A 95 68.332 16.438 -13.100 1.00 0.00 H new ATOM 0 HH21 ARG A 95 69.723 16.101 -9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 95 68.355 15.715 -10.958 1.00 0.00 H new ATOM 1485 N GLY A 96 70.612 14.776 -15.054 1.00 0.00 N ATOM 1486 CA GLY A 96 69.785 14.688 -16.290 1.00 0.00 C ATOM 1487 C GLY A 96 69.238 16.073 -16.641 1.00 0.00 C ATOM 1488 O GLY A 96 69.995 16.871 -17.170 1.00 0.00 O ATOM 1489 OXT GLY A 96 68.071 16.312 -16.375 1.00 0.00 O ATOM 0 H GLY A 96 70.740 15.718 -14.683 1.00 0.00 H new ATOM 0 HA2 GLY A 96 70.385 14.303 -17.115 1.00 0.00 H new ATOM 0 HA3 GLY A 96 68.963 13.988 -16.140 1.00 0.00 H new TER 1493 GLY A 96