USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 849 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 44 TYR OH : rot 150:sc= 0.471 USER MOD Set 1.2: B 105 A O2' : rot -23:sc=-0.000927 USER MOD Set 2.1: A 98 SER OG : rot 180:sc= 0.00235 USER MOD Set 2.2: A 99 HIS : no HD1:sc= -0.0633 X(o=-0.061,f=-0.36) USER MOD Set 3.1: A 72 MET CE :methyl 174:sc= -1.8 (180deg=-2) USER MOD Set 3.2: A 89 MET CE :methyl 174:sc= -0.901 (180deg=-0.543) USER MOD Set 4.1: A 2 SER OG : rot -69:sc= 0.537 USER MOD Set 4.2: A 52 LYS NZ :NH3+ 160:sc= 0.514 (180deg=-0.296) USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= -0.0626 USER MOD Set 5.2: A 75 MET CE :methyl 177:sc= -2.29 (180deg=-2.28) USER MOD Set 6.1: A 26 SER OG : rot 180:sc= 0.471 USER MOD Set 6.2: A 29 THR OG1 : rot 88:sc= 0.47 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0.954 (180deg=0.605) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 175:sc= -0.526 (180deg=-0.71) USER MOD Single : A 14 THR OG1 : rot 110:sc= -0.367 USER MOD Single : A 15 SER OG : rot -58:sc= 0.935 USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= 2.15 (180deg=1.43) USER MOD Single : A 20 ASN : amide:sc= -2.19 K(o=-2.2,f=-1.7) USER MOD Single : A 22 THR OG1 : rot 169:sc= 1.27 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -72:sc= 0.00235 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0451 USER MOD Single : A 63 HIS : no HE2:sc= -4.12! K(o=-4.1!,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -2.18 K(o=-2.2,f=-3.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.574 K(o=-0.57,f=-2) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot -166:sc= -0.422 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 G O2' : rot -46:sc= 1.34 USER MOD Single : B 104 G O2' : rot -64:sc= 0.79 USER MOD Single : B 106 G O2' : rot 10:sc= 1.19 USER MOD Single : B 107 U O2' : rot 180:sc= 0 USER MOD Single : B 107 U O3' : rot 180:sc= -0.765 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.578 14.797 1.307 1.00 0.00 N ATOM 2 CA MET A 1 -17.776 13.425 1.821 1.00 0.00 C ATOM 3 C MET A 1 -16.480 12.865 2.391 1.00 0.00 C ATOM 4 O MET A 1 -16.471 12.390 3.525 1.00 0.00 O ATOM 5 CB MET A 1 -18.330 12.490 0.739 1.00 0.00 C ATOM 6 CG MET A 1 -19.668 13.007 0.204 1.00 0.00 C ATOM 7 SD MET A 1 -20.972 13.124 1.458 1.00 0.00 S ATOM 8 CE MET A 1 -22.319 13.744 0.419 1.00 0.00 C ATOM 0 H1 MET A 1 -18.500 15.267 1.209 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.984 15.334 1.971 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.110 14.756 0.379 1.00 0.00 H new ATOM 0 HA MET A 1 -18.513 13.483 2.622 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.614 12.409 -0.079 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.460 11.489 1.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.514 13.992 -0.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.006 12.348 -0.596 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.214 13.879 1.026 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.030 14.700 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.524 13.028 -0.376 1.00 0.00 H new ATOM 18 N SER A 2 -15.389 12.915 1.617 1.00 0.00 N ATOM 19 CA SER A 2 -14.086 12.430 2.060 1.00 0.00 C ATOM 20 C SER A 2 -12.979 13.297 1.467 1.00 0.00 C ATOM 21 O SER A 2 -12.932 13.487 0.252 1.00 0.00 O ATOM 22 CB SER A 2 -13.900 10.979 1.612 1.00 0.00 C ATOM 23 OG SER A 2 -14.929 10.157 2.137 1.00 0.00 O ATOM 0 H SER A 2 -15.389 13.293 0.669 1.00 0.00 H new ATOM 0 HA SER A 2 -14.035 12.483 3.148 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.905 10.926 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.929 10.612 1.945 1.00 0.00 H new ATOM 0 HG SER A 2 -14.819 10.075 3.107 1.00 0.00 H new ATOM 29 N TYR A 3 -12.098 13.814 2.333 1.00 0.00 N ATOM 30 CA TYR A 3 -10.963 14.686 2.014 1.00 0.00 C ATOM 31 C TYR A 3 -11.322 16.012 1.344 1.00 0.00 C ATOM 32 O TYR A 3 -10.592 16.991 1.497 1.00 0.00 O ATOM 33 CB TYR A 3 -9.964 13.935 1.132 1.00 0.00 C ATOM 34 CG TYR A 3 -9.145 12.912 1.877 1.00 0.00 C ATOM 35 CD1 TYR A 3 -9.671 11.641 2.133 1.00 0.00 C ATOM 36 CD2 TYR A 3 -7.855 13.248 2.307 1.00 0.00 C ATOM 37 CE1 TYR A 3 -8.899 10.692 2.815 1.00 0.00 C ATOM 38 CE2 TYR A 3 -7.074 12.304 2.989 1.00 0.00 C ATOM 39 CZ TYR A 3 -7.596 11.020 3.244 1.00 0.00 C ATOM 40 OH TYR A 3 -6.839 10.091 3.893 1.00 0.00 O ATOM 0 H TYR A 3 -12.163 13.623 3.333 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.532 14.950 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -10.506 13.437 0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.292 14.655 0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.670 11.392 1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.462 14.235 2.113 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -9.301 9.709 3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.077 12.560 3.317 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.968 10.479 4.118 1.00 0.00 H new ATOM 50 N GLY A 4 -12.430 16.068 0.608 1.00 0.00 N ATOM 51 CA GLY A 4 -12.845 17.243 -0.120 1.00 0.00 C ATOM 52 C GLY A 4 -12.119 17.255 -1.452 1.00 0.00 C ATOM 53 O GLY A 4 -12.682 16.874 -2.471 1.00 0.00 O ATOM 0 H GLY A 4 -13.069 15.279 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.924 17.233 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.613 18.144 0.448 1.00 0.00 H new ATOM 57 N ARG A 5 -10.863 17.697 -1.441 1.00 0.00 N ATOM 58 CA ARG A 5 -10.020 17.832 -2.629 1.00 0.00 C ATOM 59 C ARG A 5 -8.718 18.573 -2.312 1.00 0.00 C ATOM 60 O ARG A 5 -8.530 19.701 -2.770 1.00 0.00 O ATOM 61 CB ARG A 5 -10.740 18.421 -3.846 1.00 0.00 C ATOM 62 CG ARG A 5 -11.667 19.585 -3.533 1.00 0.00 C ATOM 63 CD ARG A 5 -12.246 20.044 -4.863 1.00 0.00 C ATOM 64 NE ARG A 5 -11.240 20.737 -5.682 1.00 0.00 N ATOM 65 CZ ARG A 5 -11.342 20.934 -6.999 1.00 0.00 C ATOM 66 NH1 ARG A 5 -12.394 20.489 -7.683 1.00 0.00 N ATOM 67 NH2 ARG A 5 -10.378 21.580 -7.648 1.00 0.00 N ATOM 0 H ARG A 5 -10.390 17.979 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.763 16.814 -2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.993 18.753 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.319 17.632 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.459 19.278 -2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.123 20.395 -3.046 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.630 19.183 -5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.090 20.710 -4.683 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.407 21.092 -5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.140 19.988 -7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.454 20.649 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.563 21.924 -7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.453 21.732 -8.654 1.00 0.00 H new ATOM 81 N PRO A 6 -7.818 17.953 -1.530 1.00 0.00 N ATOM 82 CA PRO A 6 -6.498 18.494 -1.244 1.00 0.00 C ATOM 83 C PRO A 6 -5.730 18.795 -2.536 1.00 0.00 C ATOM 84 O PRO A 6 -6.148 18.359 -3.605 1.00 0.00 O ATOM 85 CB PRO A 6 -5.779 17.412 -0.436 1.00 0.00 C ATOM 86 CG PRO A 6 -6.911 16.602 0.183 1.00 0.00 C ATOM 87 CD PRO A 6 -8.006 16.673 -0.880 1.00 0.00 C ATOM 0 HA PRO A 6 -6.566 19.435 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.146 16.793 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.135 17.846 0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.609 15.574 0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.240 17.028 1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.918 15.853 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.997 16.601 -0.431 1.00 0.00 H new ATOM 95 N PRO A 7 -4.614 19.534 -2.445 1.00 0.00 N ATOM 96 CA PRO A 7 -3.675 19.786 -3.531 1.00 0.00 C ATOM 97 C PRO A 7 -2.450 18.859 -3.491 1.00 0.00 C ATOM 98 O PRO A 7 -1.348 19.301 -3.171 1.00 0.00 O ATOM 99 CB PRO A 7 -3.254 21.232 -3.270 1.00 0.00 C ATOM 100 CG PRO A 7 -3.127 21.250 -1.743 1.00 0.00 C ATOM 101 CD PRO A 7 -4.202 20.271 -1.267 1.00 0.00 C ATOM 0 HA PRO A 7 -4.120 19.609 -4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.313 21.479 -3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.997 21.945 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.133 20.938 -1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.292 22.250 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.809 19.600 -0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.045 20.801 -0.823 1.00 0.00 H new ATOM 109 N PRO A 8 -2.610 17.569 -3.812 1.00 0.00 N ATOM 110 CA PRO A 8 -1.521 16.609 -3.886 1.00 0.00 C ATOM 111 C PRO A 8 -0.709 16.824 -5.168 1.00 0.00 C ATOM 112 O PRO A 8 -0.843 17.848 -5.835 1.00 0.00 O ATOM 113 CB PRO A 8 -2.215 15.248 -3.898 1.00 0.00 C ATOM 114 CG PRO A 8 -3.483 15.553 -4.691 1.00 0.00 C ATOM 115 CD PRO A 8 -3.862 16.921 -4.153 1.00 0.00 C ATOM 0 HA PRO A 8 -0.818 16.703 -3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.606 14.482 -4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.437 14.893 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.299 15.572 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.264 14.813 -4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.411 17.497 -4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.508 16.833 -3.279 1.00 0.00 H new ATOM 123 N ASP A 9 0.137 15.849 -5.506 1.00 0.00 N ATOM 124 CA ASP A 9 0.978 15.892 -6.695 1.00 0.00 C ATOM 125 C ASP A 9 0.860 14.575 -7.461 1.00 0.00 C ATOM 126 O ASP A 9 1.817 14.099 -8.069 1.00 0.00 O ATOM 127 CB ASP A 9 2.417 16.218 -6.279 1.00 0.00 C ATOM 128 CG ASP A 9 3.324 16.466 -7.482 1.00 0.00 C ATOM 129 OD1 ASP A 9 2.928 17.273 -8.349 1.00 0.00 O ATOM 130 OD2 ASP A 9 4.413 15.845 -7.520 1.00 0.00 O ATOM 0 H ASP A 9 0.256 15.000 -4.953 1.00 0.00 H new ATOM 0 HA ASP A 9 0.649 16.678 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.417 17.100 -5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.818 15.395 -5.688 1.00 0.00 H new ATOM 135 N VAL A 10 -0.335 13.976 -7.432 1.00 0.00 N ATOM 136 CA VAL A 10 -0.632 12.712 -8.101 1.00 0.00 C ATOM 137 C VAL A 10 -0.327 12.770 -9.601 1.00 0.00 C ATOM 138 O VAL A 10 -0.310 11.735 -10.268 1.00 0.00 O ATOM 139 CB VAL A 10 -2.097 12.310 -7.868 1.00 0.00 C ATOM 140 CG1 VAL A 10 -2.395 12.171 -6.374 1.00 0.00 C ATOM 141 CG2 VAL A 10 -3.064 13.335 -8.458 1.00 0.00 C ATOM 0 H VAL A 10 -1.135 14.366 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 10 0.018 11.954 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.240 11.352 -8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.438 11.886 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.750 11.405 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.210 13.123 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.090 13.016 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.896 14.305 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.897 13.416 -9.532 1.00 0.00 H new ATOM 151 N GLU A 11 -0.086 13.972 -10.134 1.00 0.00 N ATOM 152 CA GLU A 11 0.277 14.181 -11.528 1.00 0.00 C ATOM 153 C GLU A 11 1.719 13.750 -11.814 1.00 0.00 C ATOM 154 O GLU A 11 2.139 13.752 -12.970 1.00 0.00 O ATOM 155 CB GLU A 11 0.083 15.664 -11.868 1.00 0.00 C ATOM 156 CG GLU A 11 0.983 16.551 -11.003 1.00 0.00 C ATOM 157 CD GLU A 11 0.803 18.020 -11.372 1.00 0.00 C ATOM 158 OE1 GLU A 11 -0.165 18.634 -10.869 1.00 0.00 O ATOM 159 OE2 GLU A 11 1.640 18.526 -12.155 1.00 0.00 O ATOM 0 H GLU A 11 -0.140 14.837 -9.596 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.367 13.563 -12.154 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.307 15.831 -12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.960 15.942 -11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.744 16.403 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.025 16.262 -11.137 1.00 0.00 H new ATOM 166 N GLY A 12 2.480 13.384 -10.777 1.00 0.00 N ATOM 167 CA GLY A 12 3.867 12.950 -10.923 1.00 0.00 C ATOM 168 C GLY A 12 4.363 12.052 -9.786 1.00 0.00 C ATOM 169 O GLY A 12 5.464 11.508 -9.878 1.00 0.00 O ATOM 0 H GLY A 12 2.148 13.382 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.972 12.415 -11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.508 13.830 -10.983 1.00 0.00 H new ATOM 173 N MET A 13 3.582 11.886 -8.717 1.00 0.00 N ATOM 174 CA MET A 13 3.896 10.984 -7.617 1.00 0.00 C ATOM 175 C MET A 13 4.005 9.541 -8.106 1.00 0.00 C ATOM 176 O MET A 13 3.527 9.205 -9.192 1.00 0.00 O ATOM 177 CB MET A 13 2.778 11.094 -6.577 1.00 0.00 C ATOM 178 CG MET A 13 2.973 12.342 -5.717 1.00 0.00 C ATOM 179 SD MET A 13 1.505 12.908 -4.807 1.00 0.00 S ATOM 180 CE MET A 13 0.671 11.343 -4.444 1.00 0.00 C ATOM 0 H MET A 13 2.701 12.384 -8.593 1.00 0.00 H new ATOM 0 HA MET A 13 4.856 11.262 -7.182 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.810 11.136 -7.077 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.772 10.206 -5.945 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.770 12.146 -4.999 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.315 13.154 -6.359 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.198 11.531 -3.813 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.349 10.878 -5.376 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.359 10.676 -3.924 1.00 0.00 H new ATOM 190 N THR A 14 4.635 8.680 -7.300 1.00 0.00 N ATOM 191 CA THR A 14 4.733 7.256 -7.603 1.00 0.00 C ATOM 192 C THR A 14 3.344 6.629 -7.700 1.00 0.00 C ATOM 193 O THR A 14 3.171 5.599 -8.352 1.00 0.00 O ATOM 194 CB THR A 14 5.592 6.566 -6.537 1.00 0.00 C ATOM 195 OG1 THR A 14 6.938 6.893 -6.767 1.00 0.00 O ATOM 196 CG2 THR A 14 5.440 5.048 -6.584 1.00 0.00 C ATOM 0 H THR A 14 5.087 8.952 -6.427 1.00 0.00 H new ATOM 0 HA THR A 14 5.214 7.123 -8.572 1.00 0.00 H new ATOM 0 HB THR A 14 5.263 6.909 -5.556 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.255 7.490 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.064 4.596 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.398 4.781 -6.409 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.749 4.682 -7.563 1.00 0.00 H new ATOM 203 N SER A 15 2.356 7.257 -7.050 1.00 0.00 N ATOM 204 CA SER A 15 0.968 6.836 -7.059 1.00 0.00 C ATOM 205 C SER A 15 0.805 5.324 -6.903 1.00 0.00 C ATOM 206 O SER A 15 0.177 4.678 -7.738 1.00 0.00 O ATOM 207 CB SER A 15 0.289 7.371 -8.320 1.00 0.00 C ATOM 208 OG SER A 15 -1.105 7.156 -8.243 1.00 0.00 O ATOM 0 H SER A 15 2.515 8.095 -6.490 1.00 0.00 H new ATOM 0 HA SER A 15 0.473 7.261 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.496 8.435 -8.431 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.694 6.873 -9.201 1.00 0.00 H new ATOM 0 HG SER A 15 -1.283 6.199 -8.133 1.00 0.00 H new ATOM 214 N LEU A 16 1.374 4.755 -5.834 1.00 0.00 N ATOM 215 CA LEU A 16 1.135 3.339 -5.551 1.00 0.00 C ATOM 216 C LEU A 16 -0.362 3.164 -5.319 1.00 0.00 C ATOM 217 O LEU A 16 -1.032 4.145 -5.009 1.00 0.00 O ATOM 218 CB LEU A 16 1.882 2.906 -4.291 1.00 0.00 C ATOM 219 CG LEU A 16 1.871 1.391 -4.068 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.805 0.678 -5.045 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.326 1.080 -2.646 1.00 0.00 C ATOM 0 H LEU A 16 1.983 5.235 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 16 1.486 2.733 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.915 3.249 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.435 3.396 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 16 0.853 1.037 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.774 -0.396 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.485 0.880 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.823 1.041 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.318 0.001 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.336 1.461 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.650 1.555 -1.935 1.00 0.00 H new ATOM 233 N LYS A 17 -0.891 1.947 -5.462 1.00 0.00 N ATOM 234 CA LYS A 17 -2.288 1.697 -5.155 1.00 0.00 C ATOM 235 C LYS A 17 -2.467 0.311 -4.539 1.00 0.00 C ATOM 236 O LYS A 17 -1.829 -0.649 -4.966 1.00 0.00 O ATOM 237 CB LYS A 17 -3.119 1.912 -6.425 1.00 0.00 C ATOM 238 CG LYS A 17 -2.932 0.797 -7.457 1.00 0.00 C ATOM 239 CD LYS A 17 -4.049 -0.227 -7.276 1.00 0.00 C ATOM 240 CE LYS A 17 -3.651 -1.576 -7.876 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.735 -2.560 -7.711 1.00 0.00 N ATOM 0 H LYS A 17 -0.373 1.130 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.646 2.400 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.173 1.978 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.845 2.866 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.956 1.208 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.959 0.322 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.270 -0.347 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.960 0.134 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.421 -1.455 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.745 -1.941 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.348 -3.521 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.165 -2.448 -6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.458 -2.406 -8.443 1.00 0.00 H new ATOM 255 N VAL A 18 -3.343 0.210 -3.536 1.00 0.00 N ATOM 256 CA VAL A 18 -3.620 -1.047 -2.845 1.00 0.00 C ATOM 257 C VAL A 18 -5.121 -1.242 -2.682 1.00 0.00 C ATOM 258 O VAL A 18 -5.874 -0.274 -2.571 1.00 0.00 O ATOM 259 CB VAL A 18 -2.926 -1.089 -1.479 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.279 0.123 -0.629 1.00 0.00 C ATOM 261 CG2 VAL A 18 -3.332 -2.344 -0.704 1.00 0.00 C ATOM 0 H VAL A 18 -3.880 1.001 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.223 -1.861 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.854 -1.093 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.767 0.056 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.967 1.032 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.356 0.151 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.828 -2.354 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.411 -2.344 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.047 -3.230 -1.271 1.00 0.00 H new ATOM 271 N ASP A 19 -5.524 -2.518 -2.669 1.00 0.00 N ATOM 272 CA ASP A 19 -6.910 -2.952 -2.602 1.00 0.00 C ATOM 273 C ASP A 19 -6.995 -4.319 -1.915 1.00 0.00 C ATOM 274 O ASP A 19 -6.006 -4.797 -1.358 1.00 0.00 O ATOM 275 CB ASP A 19 -7.454 -3.068 -4.029 1.00 0.00 C ATOM 276 CG ASP A 19 -7.224 -1.786 -4.821 1.00 0.00 C ATOM 277 OD1 ASP A 19 -8.060 -0.863 -4.688 1.00 0.00 O ATOM 278 OD2 ASP A 19 -6.209 -1.749 -5.552 1.00 0.00 O ATOM 0 H ASP A 19 -4.866 -3.297 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.495 -2.231 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.970 -3.902 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.521 -3.290 -3.996 1.00 0.00 H new ATOM 283 N ASN A 20 -8.183 -4.940 -1.963 1.00 0.00 N ATOM 284 CA ASN A 20 -8.432 -6.304 -1.506 1.00 0.00 C ATOM 285 C ASN A 20 -8.785 -6.358 -0.016 1.00 0.00 C ATOM 286 O ASN A 20 -8.549 -7.371 0.639 1.00 0.00 O ATOM 287 CB ASN A 20 -7.242 -7.207 -1.848 1.00 0.00 C ATOM 288 CG ASN A 20 -7.646 -8.603 -2.283 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.659 -8.808 -2.942 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.830 -9.579 -1.904 1.00 0.00 N ATOM 0 H ASN A 20 -9.019 -4.488 -2.333 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.305 -6.682 -2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.660 -6.742 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.590 -7.281 -0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.036 -10.544 -2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.997 -9.364 -1.356 1.00 0.00 H new ATOM 297 N LEU A 21 -9.347 -5.270 0.513 1.00 0.00 N ATOM 298 CA LEU A 21 -9.708 -5.127 1.915 1.00 0.00 C ATOM 299 C LEU A 21 -10.563 -6.313 2.341 1.00 0.00 C ATOM 300 O LEU A 21 -11.565 -6.628 1.702 1.00 0.00 O ATOM 301 CB LEU A 21 -10.494 -3.827 2.121 1.00 0.00 C ATOM 302 CG LEU A 21 -9.654 -2.546 2.095 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.121 -2.269 3.494 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.469 -2.586 1.129 1.00 0.00 C ATOM 0 H LEU A 21 -9.568 -4.443 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.801 -5.095 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.258 -3.757 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.013 -3.883 3.078 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.321 -1.759 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.522 -1.358 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.956 -2.145 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.503 -3.105 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.930 -1.640 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.799 -3.399 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.832 -2.748 0.114 1.00 0.00 H new ATOM 316 N THR A 22 -10.160 -6.971 3.423 1.00 0.00 N ATOM 317 CA THR A 22 -10.888 -8.104 3.955 1.00 0.00 C ATOM 318 C THR A 22 -12.135 -7.630 4.701 1.00 0.00 C ATOM 319 O THR A 22 -12.306 -6.439 4.951 1.00 0.00 O ATOM 320 CB THR A 22 -9.946 -8.915 4.851 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.708 -9.066 4.196 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.490 -10.310 5.135 1.00 0.00 C ATOM 0 H THR A 22 -9.321 -6.730 3.951 1.00 0.00 H new ATOM 0 HA THR A 22 -11.233 -8.749 3.147 1.00 0.00 H new ATOM 0 HB THR A 22 -9.845 -8.377 5.793 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.046 -9.420 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.791 -10.850 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.453 -10.229 5.639 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.615 -10.850 4.196 1.00 0.00 H new ATOM 329 N TYR A 23 -13.016 -8.572 5.059 1.00 0.00 N ATOM 330 CA TYR A 23 -14.298 -8.314 5.702 1.00 0.00 C ATOM 331 C TYR A 23 -14.182 -7.665 7.089 1.00 0.00 C ATOM 332 O TYR A 23 -15.196 -7.497 7.766 1.00 0.00 O ATOM 333 CB TYR A 23 -15.060 -9.636 5.801 1.00 0.00 C ATOM 334 CG TYR A 23 -14.345 -10.690 6.622 1.00 0.00 C ATOM 335 CD1 TYR A 23 -14.539 -10.756 8.008 1.00 0.00 C ATOM 336 CD2 TYR A 23 -13.486 -11.600 5.988 1.00 0.00 C ATOM 337 CE1 TYR A 23 -13.873 -11.728 8.767 1.00 0.00 C ATOM 338 CE2 TYR A 23 -12.818 -12.577 6.739 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.008 -12.645 8.137 1.00 0.00 C ATOM 340 OH TYR A 23 -12.355 -13.593 8.870 1.00 0.00 O ATOM 0 H TYR A 23 -12.845 -9.565 4.901 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.832 -7.590 5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.040 -9.449 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.230 -10.024 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.203 -10.056 8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.339 -11.548 4.919 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.023 -11.774 9.836 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.158 -13.278 6.249 1.00 0.00 H new ATOM 0 HH TYR A 23 -11.801 -14.142 8.276 1.00 0.00 H new ATOM 350 N ARG A 24 -12.974 -7.294 7.525 1.00 0.00 N ATOM 351 CA ARG A 24 -12.752 -6.730 8.853 1.00 0.00 C ATOM 352 C ARG A 24 -11.865 -5.484 8.806 1.00 0.00 C ATOM 353 O ARG A 24 -11.369 -5.043 9.843 1.00 0.00 O ATOM 354 CB ARG A 24 -12.126 -7.814 9.732 1.00 0.00 C ATOM 355 CG ARG A 24 -10.662 -8.047 9.341 1.00 0.00 C ATOM 356 CD ARG A 24 -10.146 -9.332 9.982 1.00 0.00 C ATOM 357 NE ARG A 24 -8.679 -9.371 9.957 1.00 0.00 N ATOM 358 CZ ARG A 24 -7.951 -9.718 8.892 1.00 0.00 C ATOM 359 NH1 ARG A 24 -8.541 -10.099 7.766 1.00 0.00 N ATOM 360 NH2 ARG A 24 -6.625 -9.677 8.950 1.00 0.00 N ATOM 0 H ARG A 24 -12.126 -7.378 6.965 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.707 -6.410 9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.186 -7.520 10.780 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.688 -8.742 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.573 -8.111 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.053 -7.202 9.661 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.499 -9.398 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.547 -10.196 9.451 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.182 -9.116 10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.559 -10.129 7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.977 -10.362 6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.161 -9.380 9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.070 -9.942 8.136 1.00 0.00 H new ATOM 374 N THR A 25 -11.664 -4.915 7.612 1.00 0.00 N ATOM 375 CA THR A 25 -10.728 -3.812 7.420 1.00 0.00 C ATOM 376 C THR A 25 -11.464 -2.537 7.008 1.00 0.00 C ATOM 377 O THR A 25 -12.634 -2.577 6.627 1.00 0.00 O ATOM 378 CB THR A 25 -9.661 -4.217 6.395 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.276 -5.558 6.616 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.406 -3.356 6.535 1.00 0.00 C ATOM 0 H THR A 25 -12.144 -5.206 6.760 1.00 0.00 H new ATOM 0 HA THR A 25 -10.228 -3.594 8.364 1.00 0.00 H new ATOM 0 HB THR A 25 -10.092 -4.085 5.403 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.596 -5.815 5.959 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.668 -3.666 5.796 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.663 -2.309 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.991 -3.478 7.535 1.00 0.00 H new ATOM 387 N SER A 26 -10.771 -1.395 7.085 1.00 0.00 N ATOM 388 CA SER A 26 -11.341 -0.073 6.855 1.00 0.00 C ATOM 389 C SER A 26 -10.264 0.862 6.305 1.00 0.00 C ATOM 390 O SER A 26 -9.083 0.516 6.350 1.00 0.00 O ATOM 391 CB SER A 26 -11.872 0.434 8.197 1.00 0.00 C ATOM 392 OG SER A 26 -10.798 0.681 9.081 1.00 0.00 O ATOM 0 H SER A 26 -9.777 -1.369 7.314 1.00 0.00 H new ATOM 0 HA SER A 26 -12.150 -0.112 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.448 1.347 8.048 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.549 -0.302 8.631 1.00 0.00 H new ATOM 0 HG SER A 26 -11.147 1.007 9.937 1.00 0.00 H new ATOM 398 N PRO A 27 -10.630 2.046 5.781 1.00 0.00 N ATOM 399 CA PRO A 27 -9.673 2.982 5.209 1.00 0.00 C ATOM 400 C PRO A 27 -8.806 3.587 6.306 1.00 0.00 C ATOM 401 O PRO A 27 -7.626 3.867 6.089 1.00 0.00 O ATOM 402 CB PRO A 27 -10.519 4.059 4.529 1.00 0.00 C ATOM 403 CG PRO A 27 -11.823 4.035 5.317 1.00 0.00 C ATOM 404 CD PRO A 27 -11.982 2.571 5.703 1.00 0.00 C ATOM 0 HA PRO A 27 -8.996 2.499 4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.039 5.036 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.683 3.835 3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.772 4.678 6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.662 4.384 4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.499 2.470 6.657 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.572 2.031 4.962 1.00 0.00 H new ATOM 412 N ASP A 28 -9.389 3.793 7.487 1.00 0.00 N ATOM 413 CA ASP A 28 -8.670 4.353 8.624 1.00 0.00 C ATOM 414 C ASP A 28 -7.573 3.385 9.072 1.00 0.00 C ATOM 415 O ASP A 28 -6.491 3.813 9.480 1.00 0.00 O ATOM 416 CB ASP A 28 -9.663 4.610 9.755 1.00 0.00 C ATOM 417 CG ASP A 28 -10.631 5.735 9.400 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.210 6.909 9.506 1.00 0.00 O ATOM 419 OD2 ASP A 28 -11.784 5.408 9.033 1.00 0.00 O ATOM 0 H ASP A 28 -10.367 3.577 7.679 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.197 5.294 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.223 3.698 9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.122 4.867 10.665 1.00 0.00 H new ATOM 424 N THR A 29 -7.846 2.077 8.993 1.00 0.00 N ATOM 425 CA THR A 29 -6.833 1.086 9.309 1.00 0.00 C ATOM 426 C THR A 29 -5.805 1.055 8.187 1.00 0.00 C ATOM 427 O THR A 29 -4.609 1.015 8.452 1.00 0.00 O ATOM 428 CB THR A 29 -7.479 -0.293 9.467 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.391 -0.281 10.540 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.391 -1.328 9.755 1.00 0.00 C ATOM 0 H THR A 29 -8.749 1.693 8.716 1.00 0.00 H new ATOM 0 HA THR A 29 -6.344 1.349 10.247 1.00 0.00 H new ATOM 0 HB THR A 29 -8.007 -0.545 8.547 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.270 0.009 10.219 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.846 -2.312 9.868 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.681 -1.349 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.869 -1.061 10.674 1.00 0.00 H new ATOM 437 N LEU A 30 -6.256 1.077 6.932 1.00 0.00 N ATOM 438 CA LEU A 30 -5.355 1.020 5.792 1.00 0.00 C ATOM 439 C LEU A 30 -4.342 2.161 5.843 1.00 0.00 C ATOM 440 O LEU A 30 -3.285 2.076 5.223 1.00 0.00 O ATOM 441 CB LEU A 30 -6.187 1.075 4.506 1.00 0.00 C ATOM 442 CG LEU A 30 -5.959 -0.109 3.558 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.604 -0.019 2.867 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.037 -1.449 4.285 1.00 0.00 C ATOM 0 H LEU A 30 -7.244 1.134 6.684 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.790 0.088 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.243 1.115 4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.956 1.999 3.977 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.756 -0.055 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.477 -0.874 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.552 0.902 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.813 -0.021 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.870 -2.259 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.275 -1.486 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.023 -1.561 4.737 1.00 0.00 H new ATOM 456 N ARG A 31 -4.653 3.236 6.573 1.00 0.00 N ATOM 457 CA ARG A 31 -3.747 4.371 6.699 1.00 0.00 C ATOM 458 C ARG A 31 -2.676 4.068 7.735 1.00 0.00 C ATOM 459 O ARG A 31 -1.493 4.131 7.417 1.00 0.00 O ATOM 460 CB ARG A 31 -4.541 5.611 7.110 1.00 0.00 C ATOM 461 CG ARG A 31 -3.634 6.824 7.365 1.00 0.00 C ATOM 462 CD ARG A 31 -2.763 7.150 6.150 1.00 0.00 C ATOM 463 NE ARG A 31 -1.868 8.276 6.432 1.00 0.00 N ATOM 464 CZ ARG A 31 -1.747 9.378 5.685 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.474 9.555 4.585 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.878 10.315 6.053 1.00 0.00 N ATOM 0 H ARG A 31 -5.529 3.340 7.085 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.262 4.556 5.740 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.260 5.855 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.113 5.392 8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.247 7.690 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.996 6.626 8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.176 6.274 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.398 7.390 5.297 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.288 8.213 7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.142 8.841 4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.363 10.405 4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.316 10.187 6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.774 11.162 5.494 1.00 0.00 H new ATOM 480 N ARG A 32 -3.071 3.739 8.969 1.00 0.00 N ATOM 481 CA ARG A 32 -2.108 3.481 10.038 1.00 0.00 C ATOM 482 C ARG A 32 -1.328 2.192 9.808 1.00 0.00 C ATOM 483 O ARG A 32 -0.379 1.903 10.534 1.00 0.00 O ATOM 484 CB ARG A 32 -2.834 3.480 11.388 1.00 0.00 C ATOM 485 CG ARG A 32 -3.833 2.332 11.566 1.00 0.00 C ATOM 486 CD ARG A 32 -3.201 1.060 12.142 1.00 0.00 C ATOM 487 NE ARG A 32 -2.872 1.224 13.565 1.00 0.00 N ATOM 488 CZ ARG A 32 -1.638 1.347 14.065 1.00 0.00 C ATOM 489 NH1 ARG A 32 -0.564 1.362 13.276 1.00 0.00 N ATOM 490 NH2 ARG A 32 -1.469 1.461 15.381 1.00 0.00 N ATOM 0 H ARG A 32 -4.047 3.646 9.249 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.367 4.281 10.040 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.093 3.428 12.186 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.362 4.427 11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.638 2.659 12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.284 2.100 10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.888 0.223 12.020 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.297 0.815 11.584 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.649 1.246 14.226 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.673 1.279 12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.366 1.457 13.683 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.278 1.454 16.002 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.530 1.555 15.768 1.00 0.00 H new ATOM 504 N VAL A 33 -1.721 1.411 8.799 1.00 0.00 N ATOM 505 CA VAL A 33 -1.057 0.158 8.467 1.00 0.00 C ATOM 506 C VAL A 33 -0.059 0.335 7.328 1.00 0.00 C ATOM 507 O VAL A 33 0.950 -0.367 7.298 1.00 0.00 O ATOM 508 CB VAL A 33 -2.121 -0.879 8.095 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.497 -2.147 7.519 1.00 0.00 C ATOM 510 CG2 VAL A 33 -2.917 -1.253 9.343 1.00 0.00 C ATOM 0 H VAL A 33 -2.510 1.634 8.192 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.492 -0.183 9.335 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.767 -0.436 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.284 -2.858 7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.932 -1.899 6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.829 -2.591 8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.676 -1.991 9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.244 -1.672 10.091 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.400 -0.363 9.747 1.00 0.00 H new ATOM 520 N PHE A 34 -0.314 1.254 6.395 1.00 0.00 N ATOM 521 CA PHE A 34 0.609 1.524 5.302 1.00 0.00 C ATOM 522 C PHE A 34 1.438 2.787 5.554 1.00 0.00 C ATOM 523 O PHE A 34 2.417 3.030 4.846 1.00 0.00 O ATOM 524 CB PHE A 34 -0.190 1.615 4.000 1.00 0.00 C ATOM 525 CG PHE A 34 -0.435 0.277 3.332 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.455 -0.561 3.802 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.346 -0.130 2.240 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.707 -1.789 3.173 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.095 -1.354 1.602 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.932 -2.182 2.069 1.00 0.00 C ATOM 0 H PHE A 34 -1.159 1.825 6.379 1.00 0.00 H new ATOM 0 HA PHE A 34 1.327 0.708 5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.150 2.087 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.341 2.265 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.049 -0.260 4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.146 0.504 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.495 -2.431 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.692 -1.656 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.129 -3.125 1.580 1.00 0.00 H new ATOM 540 N GLU A 35 1.071 3.595 6.553 1.00 0.00 N ATOM 541 CA GLU A 35 1.826 4.792 6.897 1.00 0.00 C ATOM 542 C GLU A 35 3.135 4.437 7.609 1.00 0.00 C ATOM 543 O GLU A 35 4.082 5.222 7.578 1.00 0.00 O ATOM 544 CB GLU A 35 0.946 5.687 7.777 1.00 0.00 C ATOM 545 CG GLU A 35 1.686 6.929 8.267 1.00 0.00 C ATOM 546 CD GLU A 35 0.734 7.899 8.965 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.550 7.744 10.193 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.194 8.784 8.266 1.00 0.00 O ATOM 0 H GLU A 35 0.250 3.436 7.137 1.00 0.00 H new ATOM 0 HA GLU A 35 2.096 5.325 5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.064 5.992 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.594 5.115 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.479 6.635 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.164 7.428 7.424 1.00 0.00 H new ATOM 555 N LYS A 36 3.211 3.267 8.251 1.00 0.00 N ATOM 556 CA LYS A 36 4.403 2.872 8.988 1.00 0.00 C ATOM 557 C LYS A 36 5.585 2.596 8.062 1.00 0.00 C ATOM 558 O LYS A 36 6.733 2.685 8.495 1.00 0.00 O ATOM 559 CB LYS A 36 4.102 1.646 9.851 1.00 0.00 C ATOM 560 CG LYS A 36 3.759 0.411 9.018 1.00 0.00 C ATOM 561 CD LYS A 36 3.445 -0.761 9.945 1.00 0.00 C ATOM 562 CE LYS A 36 3.130 -2.007 9.117 1.00 0.00 C ATOM 563 NZ LYS A 36 2.828 -3.165 9.980 1.00 0.00 N ATOM 0 H LYS A 36 2.457 2.580 8.272 1.00 0.00 H new ATOM 0 HA LYS A 36 4.686 3.706 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.966 1.428 10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.271 1.872 10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.903 0.619 8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.594 0.157 8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.293 -0.954 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.597 -0.514 10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.280 -1.807 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.978 -2.242 8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.619 -3.994 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.648 -3.370 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.004 -2.948 10.576 1.00 0.00 H new ATOM 577 N TYR A 37 5.309 2.266 6.799 1.00 0.00 N ATOM 578 CA TYR A 37 6.349 2.025 5.809 1.00 0.00 C ATOM 579 C TYR A 37 6.982 3.334 5.335 1.00 0.00 C ATOM 580 O TYR A 37 8.069 3.312 4.763 1.00 0.00 O ATOM 581 CB TYR A 37 5.756 1.260 4.630 1.00 0.00 C ATOM 582 CG TYR A 37 5.276 -0.125 5.001 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.987 -0.305 5.525 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.122 -1.230 4.828 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.555 -1.588 5.890 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.686 -2.516 5.178 1.00 0.00 C ATOM 587 CZ TYR A 37 4.400 -2.701 5.721 1.00 0.00 C ATOM 588 OH TYR A 37 3.977 -3.948 6.080 1.00 0.00 O ATOM 0 H TYR A 37 4.361 2.160 6.439 1.00 0.00 H new ATOM 0 HA TYR A 37 7.137 1.430 6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.922 1.829 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.506 1.179 3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.329 0.543 5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.114 -1.090 4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.567 -1.723 6.304 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.337 -3.365 5.031 1.00 0.00 H new ATOM 0 HH TYR A 37 4.685 -4.600 5.894 1.00 0.00 H new ATOM 598 N GLY A 38 6.315 4.469 5.566 1.00 0.00 N ATOM 599 CA GLY A 38 6.871 5.773 5.234 1.00 0.00 C ATOM 600 C GLY A 38 5.820 6.872 5.331 1.00 0.00 C ATOM 601 O GLY A 38 5.694 7.519 6.369 1.00 0.00 O ATOM 0 H GLY A 38 5.385 4.505 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.698 5.999 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.280 5.748 4.224 1.00 0.00 H new ATOM 605 N ARG A 39 5.065 7.073 4.247 1.00 0.00 N ATOM 606 CA ARG A 39 3.961 8.020 4.213 1.00 0.00 C ATOM 607 C ARG A 39 2.980 7.648 3.115 1.00 0.00 C ATOM 608 O ARG A 39 3.311 6.889 2.210 1.00 0.00 O ATOM 609 CB ARG A 39 4.478 9.451 4.041 1.00 0.00 C ATOM 610 CG ARG A 39 5.433 9.607 2.855 1.00 0.00 C ATOM 611 CD ARG A 39 5.775 11.087 2.668 1.00 0.00 C ATOM 612 NE ARG A 39 6.607 11.586 3.767 1.00 0.00 N ATOM 613 CZ ARG A 39 7.940 11.523 3.787 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.616 10.992 2.773 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.610 11.998 4.834 1.00 0.00 N ATOM 0 H ARG A 39 5.208 6.578 3.367 1.00 0.00 H new ATOM 0 HA ARG A 39 3.433 7.975 5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.630 10.123 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.989 9.758 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.342 9.031 3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.973 9.212 1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.298 11.224 1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.856 11.670 2.611 1.00 0.00 H new ATOM 0 HE ARG A 39 6.137 12.008 4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.116 10.625 1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.635 10.952 2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.105 12.409 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.629 11.951 4.852 1.00 0.00 H new ATOM 629 N VAL A 40 1.768 8.199 3.210 1.00 0.00 N ATOM 630 CA VAL A 40 0.665 7.880 2.319 1.00 0.00 C ATOM 631 C VAL A 40 -0.002 9.181 1.885 1.00 0.00 C ATOM 632 O VAL A 40 -0.127 10.110 2.680 1.00 0.00 O ATOM 633 CB VAL A 40 -0.324 6.983 3.074 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.613 6.740 2.287 1.00 0.00 C ATOM 635 CG2 VAL A 40 0.309 5.620 3.372 1.00 0.00 C ATOM 0 H VAL A 40 1.528 8.889 3.921 1.00 0.00 H new ATOM 0 HA VAL A 40 1.015 7.353 1.431 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.569 7.510 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.278 6.099 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.106 7.693 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.375 6.255 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.406 4.996 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.584 5.134 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.200 5.759 3.984 1.00 0.00 H new ATOM 645 N GLY A 41 -0.427 9.248 0.621 1.00 0.00 N ATOM 646 CA GLY A 41 -1.058 10.442 0.081 1.00 0.00 C ATOM 647 C GLY A 41 -2.485 10.535 0.595 1.00 0.00 C ATOM 648 O GLY A 41 -2.910 11.597 1.043 1.00 0.00 O ATOM 0 H GLY A 41 -0.342 8.481 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.496 11.328 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.054 10.408 -1.008 1.00 0.00 H new ATOM 652 N ASP A 42 -3.218 9.421 0.529 1.00 0.00 N ATOM 653 CA ASP A 42 -4.571 9.337 1.061 1.00 0.00 C ATOM 654 C ASP A 42 -5.087 7.908 0.992 1.00 0.00 C ATOM 655 O ASP A 42 -4.459 7.029 0.403 1.00 0.00 O ATOM 656 CB ASP A 42 -5.511 10.268 0.283 1.00 0.00 C ATOM 657 CG ASP A 42 -5.609 9.934 -1.202 1.00 0.00 C ATOM 658 OD1 ASP A 42 -6.101 8.831 -1.527 1.00 0.00 O ATOM 659 OD2 ASP A 42 -5.188 10.792 -2.010 1.00 0.00 O ATOM 0 H ASP A 42 -2.886 8.555 0.105 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.545 9.650 2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.506 10.218 0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.165 11.296 0.394 1.00 0.00 H new ATOM 664 N VAL A 43 -6.248 7.705 1.611 1.00 0.00 N ATOM 665 CA VAL A 43 -6.990 6.473 1.527 1.00 0.00 C ATOM 666 C VAL A 43 -8.393 6.807 1.045 1.00 0.00 C ATOM 667 O VAL A 43 -8.941 7.847 1.406 1.00 0.00 O ATOM 668 CB VAL A 43 -7.014 5.762 2.882 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.617 5.550 3.460 1.00 0.00 C ATOM 670 CG2 VAL A 43 -7.858 6.502 3.914 1.00 0.00 C ATOM 0 H VAL A 43 -6.698 8.412 2.193 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.515 5.789 0.824 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.466 4.791 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.694 5.042 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.028 4.941 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.130 6.515 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.841 5.956 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.452 7.502 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.885 6.578 3.557 1.00 0.00 H new ATOM 680 N TYR A 44 -8.989 5.943 0.224 1.00 0.00 N ATOM 681 CA TYR A 44 -10.260 6.272 -0.389 1.00 0.00 C ATOM 682 C TYR A 44 -11.080 5.020 -0.699 1.00 0.00 C ATOM 683 O TYR A 44 -10.524 3.951 -0.947 1.00 0.00 O ATOM 684 CB TYR A 44 -9.886 7.036 -1.654 1.00 0.00 C ATOM 685 CG TYR A 44 -11.040 7.628 -2.409 1.00 0.00 C ATOM 686 CD1 TYR A 44 -11.993 8.424 -1.758 1.00 0.00 C ATOM 687 CD2 TYR A 44 -11.134 7.378 -3.780 1.00 0.00 C ATOM 688 CE1 TYR A 44 -13.050 8.980 -2.492 1.00 0.00 C ATOM 689 CE2 TYR A 44 -12.182 7.934 -4.522 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.147 8.736 -3.878 1.00 0.00 C ATOM 691 OH TYR A 44 -14.173 9.266 -4.599 1.00 0.00 O ATOM 0 H TYR A 44 -8.615 5.027 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.895 6.863 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.199 7.838 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.345 6.363 -2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.913 8.608 -0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.398 6.756 -4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.788 9.594 -1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -12.252 7.750 -5.584 1.00 0.00 H new ATOM 0 HH TYR A 44 -13.878 9.424 -5.520 1.00 0.00 H new ATOM 701 N ILE A 45 -12.411 5.155 -0.682 1.00 0.00 N ATOM 702 CA ILE A 45 -13.333 4.040 -0.881 1.00 0.00 C ATOM 703 C ILE A 45 -14.506 4.483 -1.755 1.00 0.00 C ATOM 704 O ILE A 45 -15.610 4.716 -1.268 1.00 0.00 O ATOM 705 CB ILE A 45 -13.801 3.462 0.467 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.568 3.057 1.282 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.698 2.235 0.262 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.901 2.177 2.483 1.00 0.00 C ATOM 0 H ILE A 45 -12.878 6.049 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.812 3.237 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.379 4.222 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.871 2.526 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.059 3.956 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.013 1.849 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.576 2.519 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.143 1.464 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.984 1.927 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.574 2.713 3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.383 1.261 2.141 1.00 0.00 H new ATOM 720 N PRO A 46 -14.260 4.604 -3.064 1.00 0.00 N ATOM 721 CA PRO A 46 -15.247 4.995 -4.054 1.00 0.00 C ATOM 722 C PRO A 46 -16.190 3.841 -4.403 1.00 0.00 C ATOM 723 O PRO A 46 -16.045 2.732 -3.885 1.00 0.00 O ATOM 724 CB PRO A 46 -14.425 5.395 -5.278 1.00 0.00 C ATOM 725 CG PRO A 46 -13.189 4.501 -5.176 1.00 0.00 C ATOM 726 CD PRO A 46 -12.967 4.364 -3.676 1.00 0.00 C ATOM 0 HA PRO A 46 -15.883 5.800 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.972 5.222 -6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.160 6.452 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.356 3.532 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.327 4.951 -5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.593 3.371 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.227 5.082 -3.323 1.00 0.00 H new ATOM 734 N ARG A 47 -17.151 4.148 -5.286 1.00 0.00 N ATOM 735 CA ARG A 47 -18.184 3.284 -5.870 1.00 0.00 C ATOM 736 C ARG A 47 -19.537 3.975 -5.704 1.00 0.00 C ATOM 737 O ARG A 47 -20.440 3.801 -6.520 1.00 0.00 O ATOM 738 CB ARG A 47 -18.192 1.872 -5.264 1.00 0.00 C ATOM 739 CG ARG A 47 -19.255 0.967 -5.893 1.00 0.00 C ATOM 740 CD ARG A 47 -19.026 0.802 -7.394 1.00 0.00 C ATOM 741 NE ARG A 47 -20.003 -0.128 -7.975 1.00 0.00 N ATOM 742 CZ ARG A 47 -20.013 -0.497 -9.259 1.00 0.00 C ATOM 743 NH1 ARG A 47 -19.101 -0.033 -10.107 1.00 0.00 N ATOM 744 NH2 ARG A 47 -20.940 -1.342 -9.694 1.00 0.00 N ATOM 0 H ARG A 47 -17.231 5.100 -5.643 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.965 3.141 -6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.210 1.418 -5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.369 1.942 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.235 -0.010 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.245 1.389 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.104 1.771 -7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.016 0.433 -7.573 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.718 -0.516 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.382 0.613 -9.780 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -19.120 -0.323 -11.085 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.641 -1.707 -9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.951 -1.626 -10.673 1.00 0.00 H new ATOM 758 N ASP A 48 -19.653 4.764 -4.634 1.00 0.00 N ATOM 759 CA ASP A 48 -20.795 5.604 -4.331 1.00 0.00 C ATOM 760 C ASP A 48 -20.257 6.834 -3.609 1.00 0.00 C ATOM 761 O ASP A 48 -20.192 6.862 -2.378 1.00 0.00 O ATOM 762 CB ASP A 48 -21.806 4.852 -3.469 1.00 0.00 C ATOM 763 CG ASP A 48 -22.394 3.637 -4.186 1.00 0.00 C ATOM 764 OD1 ASP A 48 -23.323 3.832 -5.001 1.00 0.00 O ATOM 765 OD2 ASP A 48 -21.906 2.517 -3.909 1.00 0.00 O ATOM 0 H ASP A 48 -18.918 4.832 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.320 5.895 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.323 4.528 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.612 5.529 -3.186 1.00 0.00 H new ATOM 770 N ARG A 49 -19.870 7.841 -4.390 1.00 0.00 N ATOM 771 CA ARG A 49 -19.155 9.034 -3.945 1.00 0.00 C ATOM 772 C ARG A 49 -19.934 9.927 -2.971 1.00 0.00 C ATOM 773 O ARG A 49 -19.550 11.072 -2.737 1.00 0.00 O ATOM 774 CB ARG A 49 -18.705 9.788 -5.200 1.00 0.00 C ATOM 775 CG ARG A 49 -19.824 10.516 -5.935 1.00 0.00 C ATOM 776 CD ARG A 49 -19.278 11.116 -7.226 1.00 0.00 C ATOM 777 NE ARG A 49 -20.260 12.035 -7.822 1.00 0.00 N ATOM 778 CZ ARG A 49 -19.979 13.266 -8.263 1.00 0.00 C ATOM 779 NH1 ARG A 49 -18.743 13.748 -8.245 1.00 0.00 N ATOM 780 NH2 ARG A 49 -20.960 14.031 -8.730 1.00 0.00 N ATOM 0 H ARG A 49 -20.055 7.847 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.298 8.720 -3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.941 10.512 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.237 9.081 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -20.637 9.825 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -20.238 11.302 -5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -18.349 11.649 -7.022 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -19.040 10.320 -7.932 1.00 0.00 H new ATOM 0 HE ARG A 49 -21.223 11.710 -7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.978 13.176 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.558 14.691 -8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -21.917 13.678 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.756 14.971 -9.069 1.00 0.00 H new ATOM 794 N TYR A 50 -21.025 9.409 -2.404 1.00 0.00 N ATOM 795 CA TYR A 50 -21.915 10.114 -1.495 1.00 0.00 C ATOM 796 C TYR A 50 -22.469 9.163 -0.428 1.00 0.00 C ATOM 797 O TYR A 50 -23.313 9.563 0.373 1.00 0.00 O ATOM 798 CB TYR A 50 -23.044 10.730 -2.321 1.00 0.00 C ATOM 799 CG TYR A 50 -23.523 9.734 -3.343 1.00 0.00 C ATOM 800 CD1 TYR A 50 -24.509 8.805 -3.003 1.00 0.00 C ATOM 801 CD2 TYR A 50 -22.931 9.715 -4.611 1.00 0.00 C ATOM 802 CE1 TYR A 50 -24.851 7.796 -3.910 1.00 0.00 C ATOM 803 CE2 TYR A 50 -23.260 8.709 -5.526 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.228 7.744 -5.179 1.00 0.00 C ATOM 805 OH TYR A 50 -24.560 6.761 -6.061 1.00 0.00 O ATOM 0 H TYR A 50 -21.320 8.448 -2.576 1.00 0.00 H new ATOM 0 HA TYR A 50 -21.370 10.899 -0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -23.867 11.022 -1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -22.693 11.635 -2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -25.005 8.865 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -22.218 10.479 -4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -25.591 7.057 -3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -22.776 8.672 -6.491 1.00 0.00 H new ATOM 0 HH TYR A 50 -24.197 5.906 -5.750 1.00 0.00 H new ATOM 815 N THR A 51 -22.005 7.911 -0.405 1.00 0.00 N ATOM 816 CA THR A 51 -22.353 6.965 0.652 1.00 0.00 C ATOM 817 C THR A 51 -21.113 6.237 1.171 1.00 0.00 C ATOM 818 O THR A 51 -21.041 5.919 2.355 1.00 0.00 O ATOM 819 CB THR A 51 -23.375 5.915 0.194 1.00 0.00 C ATOM 820 OG1 THR A 51 -22.725 4.915 -0.554 1.00 0.00 O ATOM 821 CG2 THR A 51 -24.474 6.504 -0.674 1.00 0.00 C ATOM 0 H THR A 51 -21.381 7.528 -1.115 1.00 0.00 H new ATOM 0 HA THR A 51 -22.800 7.562 1.447 1.00 0.00 H new ATOM 0 HB THR A 51 -23.829 5.509 1.098 1.00 0.00 H new ATOM 0 HG1 THR A 51 -23.380 4.245 -0.843 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.167 5.716 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 51 -25.011 7.268 -0.112 1.00 0.00 H new ATOM 0 HG23 THR A 51 -24.034 6.951 -1.565 1.00 0.00 H new ATOM 828 N LYS A 52 -20.147 5.984 0.273 1.00 0.00 N ATOM 829 CA LYS A 52 -18.930 5.210 0.489 1.00 0.00 C ATOM 830 C LYS A 52 -19.114 4.038 1.457 1.00 0.00 C ATOM 831 O LYS A 52 -18.199 3.700 2.204 1.00 0.00 O ATOM 832 CB LYS A 52 -17.744 6.110 0.866 1.00 0.00 C ATOM 833 CG LYS A 52 -17.930 6.918 2.154 1.00 0.00 C ATOM 834 CD LYS A 52 -18.505 8.311 1.873 1.00 0.00 C ATOM 835 CE LYS A 52 -18.617 9.121 3.166 1.00 0.00 C ATOM 836 NZ LYS A 52 -17.289 9.374 3.763 1.00 0.00 N ATOM 0 H LYS A 52 -20.206 6.340 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.690 4.749 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.854 5.489 0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.556 6.802 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.596 6.379 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.971 7.016 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.867 8.837 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.487 8.218 1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.111 10.070 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.242 8.584 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.350 10.180 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.975 8.529 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.605 9.591 3.010 1.00 0.00 H new ATOM 850 N GLU A 53 -20.301 3.424 1.453 1.00 0.00 N ATOM 851 CA GLU A 53 -20.636 2.332 2.356 1.00 0.00 C ATOM 852 C GLU A 53 -19.929 1.021 1.993 1.00 0.00 C ATOM 853 O GLU A 53 -20.023 0.050 2.742 1.00 0.00 O ATOM 854 CB GLU A 53 -22.156 2.142 2.367 1.00 0.00 C ATOM 855 CG GLU A 53 -22.690 1.720 0.999 1.00 0.00 C ATOM 856 CD GLU A 53 -24.206 1.528 1.051 1.00 0.00 C ATOM 857 OE1 GLU A 53 -24.645 0.417 1.426 1.00 0.00 O ATOM 858 OE2 GLU A 53 -24.925 2.498 0.716 1.00 0.00 O ATOM 0 H GLU A 53 -21.057 3.676 0.817 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.283 2.601 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.422 1.388 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.635 3.072 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.439 2.476 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.211 0.793 0.685 1.00 0.00 H new ATOM 865 N SER A 54 -19.222 0.977 0.860 1.00 0.00 N ATOM 866 CA SER A 54 -18.484 -0.212 0.454 1.00 0.00 C ATOM 867 C SER A 54 -17.315 -0.476 1.401 1.00 0.00 C ATOM 868 O SER A 54 -16.901 0.410 2.150 1.00 0.00 O ATOM 869 CB SER A 54 -17.983 -0.029 -0.977 1.00 0.00 C ATOM 870 OG SER A 54 -17.356 -1.219 -1.414 1.00 0.00 O ATOM 0 H SER A 54 -19.148 1.758 0.208 1.00 0.00 H new ATOM 0 HA SER A 54 -19.148 -1.075 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.815 0.219 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.280 0.803 -1.024 1.00 0.00 H new ATOM 0 HG SER A 54 -17.036 -1.102 -2.333 1.00 0.00 H new ATOM 876 N ARG A 55 -16.779 -1.699 1.363 1.00 0.00 N ATOM 877 CA ARG A 55 -15.631 -2.095 2.176 1.00 0.00 C ATOM 878 C ARG A 55 -14.845 -3.257 1.565 1.00 0.00 C ATOM 879 O ARG A 55 -13.935 -3.781 2.206 1.00 0.00 O ATOM 880 CB ARG A 55 -16.095 -2.451 3.591 1.00 0.00 C ATOM 881 CG ARG A 55 -17.006 -3.679 3.599 1.00 0.00 C ATOM 882 CD ARG A 55 -17.376 -4.029 5.039 1.00 0.00 C ATOM 883 NE ARG A 55 -18.191 -5.247 5.101 1.00 0.00 N ATOM 884 CZ ARG A 55 -18.418 -5.938 6.219 1.00 0.00 C ATOM 885 NH1 ARG A 55 -17.908 -5.541 7.380 1.00 0.00 N ATOM 886 NH2 ARG A 55 -19.168 -7.038 6.179 1.00 0.00 N ATOM 0 H ARG A 55 -17.133 -2.445 0.763 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.952 -1.243 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.226 -2.639 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.625 -1.603 4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -17.907 -3.480 3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.502 -4.522 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.468 -4.167 5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.923 -3.200 5.487 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.610 -5.587 4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.335 -4.698 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.090 -6.079 8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.568 -7.351 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.343 -7.568 7.033 1.00 0.00 H new ATOM 900 N GLY A 56 -15.181 -3.673 0.338 1.00 0.00 N ATOM 901 CA GLY A 56 -14.496 -4.784 -0.317 1.00 0.00 C ATOM 902 C GLY A 56 -13.108 -4.374 -0.802 1.00 0.00 C ATOM 903 O GLY A 56 -12.298 -5.227 -1.167 1.00 0.00 O ATOM 0 H GLY A 56 -15.925 -3.253 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.408 -5.620 0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.090 -5.133 -1.162 1.00 0.00 H new ATOM 907 N PHE A 57 -12.833 -3.067 -0.806 1.00 0.00 N ATOM 908 CA PHE A 57 -11.546 -2.515 -1.197 1.00 0.00 C ATOM 909 C PHE A 57 -11.399 -1.102 -0.640 1.00 0.00 C ATOM 910 O PHE A 57 -12.363 -0.522 -0.143 1.00 0.00 O ATOM 911 CB PHE A 57 -11.426 -2.507 -2.723 1.00 0.00 C ATOM 912 CG PHE A 57 -12.193 -1.410 -3.436 1.00 0.00 C ATOM 913 CD1 PHE A 57 -13.531 -1.124 -3.119 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.541 -0.664 -4.430 1.00 0.00 C ATOM 915 CE1 PHE A 57 -14.207 -0.101 -3.795 1.00 0.00 C ATOM 916 CE2 PHE A 57 -12.218 0.359 -5.104 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.552 0.639 -4.788 1.00 0.00 C ATOM 0 H PHE A 57 -13.513 -2.357 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.748 -3.135 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.372 -2.418 -2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.769 -3.470 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.038 -1.693 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.512 -0.880 -4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.236 0.118 -3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.711 0.931 -5.867 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.077 1.426 -5.310 1.00 0.00 H new ATOM 927 N ALA A 58 -10.190 -0.554 -0.732 1.00 0.00 N ATOM 928 CA ALA A 58 -9.919 0.818 -0.340 1.00 0.00 C ATOM 929 C ALA A 58 -8.698 1.292 -1.112 1.00 0.00 C ATOM 930 O ALA A 58 -7.573 1.043 -0.692 1.00 0.00 O ATOM 931 CB ALA A 58 -9.687 0.921 1.173 1.00 0.00 C ATOM 0 H ALA A 58 -9.372 -1.053 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.776 1.450 -0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.486 1.958 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.575 0.575 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.834 0.302 1.453 1.00 0.00 H new ATOM 937 N PHE A 59 -8.931 1.973 -2.239 1.00 0.00 N ATOM 938 CA PHE A 59 -7.867 2.483 -3.084 1.00 0.00 C ATOM 939 C PHE A 59 -7.059 3.507 -2.283 1.00 0.00 C ATOM 940 O PHE A 59 -7.439 4.670 -2.182 1.00 0.00 O ATOM 941 CB PHE A 59 -8.473 3.053 -4.378 1.00 0.00 C ATOM 942 CG PHE A 59 -7.480 3.678 -5.344 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.180 5.041 -5.215 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.870 2.928 -6.365 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.261 5.648 -6.083 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.932 3.532 -7.209 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.609 4.886 -7.062 1.00 0.00 C ATOM 0 H PHE A 59 -9.868 2.182 -2.584 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.179 1.693 -3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.002 2.252 -4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.216 3.805 -4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.659 5.626 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.125 1.887 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.055 6.705 -5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.453 2.948 -7.981 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.863 5.340 -7.698 1.00 0.00 H new ATOM 957 N VAL A 60 -5.938 3.063 -1.708 1.00 0.00 N ATOM 958 CA VAL A 60 -5.019 3.934 -0.981 1.00 0.00 C ATOM 959 C VAL A 60 -3.870 4.266 -1.914 1.00 0.00 C ATOM 960 O VAL A 60 -3.572 3.457 -2.792 1.00 0.00 O ATOM 961 CB VAL A 60 -4.517 3.205 0.274 1.00 0.00 C ATOM 962 CG1 VAL A 60 -3.297 3.881 0.915 1.00 0.00 C ATOM 963 CG2 VAL A 60 -5.646 3.061 1.283 1.00 0.00 C ATOM 0 H VAL A 60 -5.644 2.087 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.510 4.853 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.186 2.216 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.991 3.318 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.477 3.907 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.556 4.899 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.279 2.543 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.010 4.049 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.460 2.488 0.839 1.00 0.00 H new ATOM 973 N ARG A 61 -3.223 5.426 -1.746 1.00 0.00 N ATOM 974 CA ARG A 61 -2.183 5.840 -2.678 1.00 0.00 C ATOM 975 C ARG A 61 -0.955 6.429 -1.984 1.00 0.00 C ATOM 976 O ARG A 61 -1.094 7.120 -0.974 1.00 0.00 O ATOM 977 CB ARG A 61 -2.796 6.801 -3.710 1.00 0.00 C ATOM 978 CG ARG A 61 -2.778 8.254 -3.224 1.00 0.00 C ATOM 979 CD ARG A 61 -3.543 9.145 -4.202 1.00 0.00 C ATOM 980 NE ARG A 61 -3.107 8.919 -5.583 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.935 8.922 -6.633 1.00 0.00 C ATOM 982 NH1 ARG A 61 -5.221 9.224 -6.486 1.00 0.00 N ATOM 983 NH2 ARG A 61 -3.480 8.622 -7.841 1.00 0.00 N ATOM 0 H ARG A 61 -3.402 6.081 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.806 4.956 -3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.245 6.726 -4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.823 6.501 -3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.227 8.320 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.749 8.602 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.611 8.946 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.392 10.192 -3.938 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.116 8.750 -5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.588 9.457 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.841 9.222 -7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.496 8.388 -7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.114 8.625 -8.640 1.00 0.00 H new ATOM 997 N PHE A 62 0.237 6.154 -2.536 1.00 0.00 N ATOM 998 CA PHE A 62 1.515 6.632 -1.987 1.00 0.00 C ATOM 999 C PHE A 62 2.189 7.624 -2.926 1.00 0.00 C ATOM 1000 O PHE A 62 1.879 7.667 -4.117 1.00 0.00 O ATOM 1001 CB PHE A 62 2.508 5.482 -1.824 1.00 0.00 C ATOM 1002 CG PHE A 62 2.356 4.604 -0.606 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.223 3.794 -0.443 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.374 4.596 0.355 1.00 0.00 C ATOM 1005 CE1 PHE A 62 1.120 2.966 0.683 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.273 3.766 1.477 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.147 2.951 1.638 1.00 0.00 C ATOM 0 H PHE A 62 0.342 5.591 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 62 1.273 7.094 -1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.438 4.848 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.513 5.903 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.434 3.808 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.238 5.231 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.250 2.340 0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.061 3.754 2.216 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.068 2.307 2.502 1.00 0.00 H new ATOM 1017 N HIS A 63 3.120 8.412 -2.365 1.00 0.00 N ATOM 1018 CA HIS A 63 3.883 9.403 -3.106 1.00 0.00 C ATOM 1019 C HIS A 63 5.358 9.038 -3.254 1.00 0.00 C ATOM 1020 O HIS A 63 5.956 9.317 -4.291 1.00 0.00 O ATOM 1021 CB HIS A 63 3.783 10.788 -2.448 1.00 0.00 C ATOM 1022 CG HIS A 63 3.183 10.879 -1.065 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.223 11.829 -0.710 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.469 10.103 0.026 1.00 0.00 C ATOM 1025 CE1 HIS A 63 1.963 11.611 0.586 1.00 0.00 C ATOM 1026 NE2 HIS A 63 2.688 10.578 1.051 1.00 0.00 N ATOM 0 H HIS A 63 3.359 8.371 -1.374 1.00 0.00 H new ATOM 0 HA HIS A 63 3.438 9.426 -4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.787 11.209 -2.404 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.198 11.429 -3.108 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.807 12.540 -1.311 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.169 9.282 0.072 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.266 12.187 1.177 1.00 0.00 H new ATOM 1034 N ASP A 64 5.945 8.419 -2.229 1.00 0.00 N ATOM 1035 CA ASP A 64 7.347 8.034 -2.253 1.00 0.00 C ATOM 1036 C ASP A 64 7.516 6.698 -2.961 1.00 0.00 C ATOM 1037 O ASP A 64 6.779 5.754 -2.697 1.00 0.00 O ATOM 1038 CB ASP A 64 7.835 7.899 -0.816 1.00 0.00 C ATOM 1039 CG ASP A 64 8.397 9.213 -0.294 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.587 9.478 -0.582 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.638 9.939 0.386 1.00 0.00 O ATOM 0 H ASP A 64 5.461 8.174 -1.365 1.00 0.00 H new ATOM 0 HA ASP A 64 7.922 8.791 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.011 7.576 -0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.602 7.127 -0.762 1.00 0.00 H new ATOM 1046 N LYS A 65 8.495 6.613 -3.867 1.00 0.00 N ATOM 1047 CA LYS A 65 8.801 5.368 -4.554 1.00 0.00 C ATOM 1048 C LYS A 65 9.345 4.344 -3.566 1.00 0.00 C ATOM 1049 O LYS A 65 8.802 3.245 -3.477 1.00 0.00 O ATOM 1050 CB LYS A 65 9.799 5.654 -5.679 1.00 0.00 C ATOM 1051 CG LYS A 65 10.437 4.387 -6.270 1.00 0.00 C ATOM 1052 CD LYS A 65 9.416 3.347 -6.743 1.00 0.00 C ATOM 1053 CE LYS A 65 8.416 3.914 -7.752 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.077 4.327 -9.002 1.00 0.00 N ATOM 0 H LYS A 65 9.087 7.398 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 65 7.895 4.948 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.291 6.200 -6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.587 6.304 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.072 4.668 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.084 3.933 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.943 2.506 -7.194 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.874 2.958 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.657 3.164 -7.973 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.901 4.769 -7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.367 4.706 -9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.784 5.061 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.547 3.506 -9.434 1.00 0.00 H new ATOM 1068 N ARG A 66 10.402 4.690 -2.821 1.00 0.00 N ATOM 1069 CA ARG A 66 11.047 3.740 -1.922 1.00 0.00 C ATOM 1070 C ARG A 66 10.090 3.197 -0.864 1.00 0.00 C ATOM 1071 O ARG A 66 10.206 2.035 -0.474 1.00 0.00 O ATOM 1072 CB ARG A 66 12.311 4.353 -1.298 1.00 0.00 C ATOM 1073 CG ARG A 66 12.060 5.526 -0.342 1.00 0.00 C ATOM 1074 CD ARG A 66 11.627 6.818 -1.040 1.00 0.00 C ATOM 1075 NE ARG A 66 12.598 7.238 -2.060 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.613 8.441 -2.646 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.716 9.368 -2.329 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.536 8.723 -3.560 1.00 0.00 N ATOM 0 H ARG A 66 10.824 5.619 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 66 11.353 2.881 -2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.846 3.572 -0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.966 4.692 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.292 5.238 0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.970 5.720 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.652 6.671 -1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.511 7.610 -0.300 1.00 0.00 H new ATOM 0 HE ARG A 66 13.311 6.565 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.001 9.168 -1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.742 10.280 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.232 8.023 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.548 9.640 -4.007 1.00 0.00 H new ATOM 1092 N ASP A 67 9.144 4.012 -0.393 1.00 0.00 N ATOM 1093 CA ASP A 67 8.213 3.572 0.638 1.00 0.00 C ATOM 1094 C ASP A 67 7.049 2.797 0.025 1.00 0.00 C ATOM 1095 O ASP A 67 6.371 2.043 0.721 1.00 0.00 O ATOM 1096 CB ASP A 67 7.687 4.787 1.403 1.00 0.00 C ATOM 1097 CG ASP A 67 8.807 5.572 2.081 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.786 4.936 2.526 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.666 6.813 2.146 1.00 0.00 O ATOM 0 H ASP A 67 9.006 4.972 -0.708 1.00 0.00 H new ATOM 0 HA ASP A 67 8.740 2.908 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.151 5.442 0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.970 4.458 2.155 1.00 0.00 H new ATOM 1104 N ALA A 68 6.815 2.980 -1.280 1.00 0.00 N ATOM 1105 CA ALA A 68 5.740 2.314 -1.980 1.00 0.00 C ATOM 1106 C ALA A 68 6.163 0.903 -2.372 1.00 0.00 C ATOM 1107 O ALA A 68 5.404 -0.048 -2.193 1.00 0.00 O ATOM 1108 CB ALA A 68 5.437 3.109 -3.245 1.00 0.00 C ATOM 0 H ALA A 68 7.373 3.597 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 68 4.862 2.254 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.628 2.627 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.139 4.122 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.327 3.147 -3.873 1.00 0.00 H new ATOM 1114 N GLU A 69 7.379 0.758 -2.905 1.00 0.00 N ATOM 1115 CA GLU A 69 7.864 -0.553 -3.286 1.00 0.00 C ATOM 1116 C GLU A 69 8.139 -1.397 -2.042 1.00 0.00 C ATOM 1117 O GLU A 69 8.073 -2.622 -2.110 1.00 0.00 O ATOM 1118 CB GLU A 69 9.114 -0.440 -4.165 1.00 0.00 C ATOM 1119 CG GLU A 69 10.261 0.270 -3.448 1.00 0.00 C ATOM 1120 CD GLU A 69 11.562 0.148 -4.231 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.812 1.034 -5.080 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.300 -0.832 -3.982 1.00 0.00 O ATOM 0 H GLU A 69 8.030 1.524 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 69 7.092 -1.051 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.437 -1.437 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.867 0.103 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.012 1.323 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.391 -0.157 -2.454 1.00 0.00 H new ATOM 1129 N ASP A 70 8.438 -0.761 -0.903 1.00 0.00 N ATOM 1130 CA ASP A 70 8.674 -1.497 0.328 1.00 0.00 C ATOM 1131 C ASP A 70 7.367 -2.051 0.900 1.00 0.00 C ATOM 1132 O ASP A 70 7.305 -3.223 1.261 1.00 0.00 O ATOM 1133 CB ASP A 70 9.375 -0.588 1.337 1.00 0.00 C ATOM 1134 CG ASP A 70 9.803 -1.353 2.586 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.477 -2.394 2.426 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.455 -0.891 3.695 1.00 0.00 O ATOM 0 H ASP A 70 8.520 0.252 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 70 9.317 -2.350 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.250 -0.134 0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.706 0.225 1.620 1.00 0.00 H new ATOM 1141 N ALA A 71 6.315 -1.225 0.985 1.00 0.00 N ATOM 1142 CA ALA A 71 5.034 -1.669 1.520 1.00 0.00 C ATOM 1143 C ALA A 71 4.443 -2.770 0.646 1.00 0.00 C ATOM 1144 O ALA A 71 3.746 -3.658 1.135 1.00 0.00 O ATOM 1145 CB ALA A 71 4.079 -0.477 1.607 1.00 0.00 C ATOM 0 H ALA A 71 6.332 -0.249 0.689 1.00 0.00 H new ATOM 0 HA ALA A 71 5.184 -2.078 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.120 -0.807 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.504 0.282 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.931 -0.056 0.613 1.00 0.00 H new ATOM 1151 N MET A 72 4.721 -2.713 -0.656 1.00 0.00 N ATOM 1152 CA MET A 72 4.282 -3.716 -1.601 1.00 0.00 C ATOM 1153 C MET A 72 5.104 -4.986 -1.447 1.00 0.00 C ATOM 1154 O MET A 72 4.548 -6.082 -1.453 1.00 0.00 O ATOM 1155 CB MET A 72 4.456 -3.127 -2.998 1.00 0.00 C ATOM 1156 CG MET A 72 4.490 -4.173 -4.107 1.00 0.00 C ATOM 1157 SD MET A 72 4.375 -3.463 -5.769 1.00 0.00 S ATOM 1158 CE MET A 72 5.533 -2.076 -5.607 1.00 0.00 C ATOM 0 H MET A 72 5.262 -1.959 -1.079 1.00 0.00 H new ATOM 0 HA MET A 72 3.239 -3.982 -1.426 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.640 -2.431 -3.193 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.381 -2.551 -3.027 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.414 -4.746 -4.028 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.667 -4.873 -3.961 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.662 -1.595 -6.576 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.138 -1.353 -4.893 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.496 -2.445 -5.254 1.00 0.00 H new ATOM 1168 N ASP A 73 6.425 -4.853 -1.304 1.00 0.00 N ATOM 1169 CA ASP A 73 7.302 -6.005 -1.189 1.00 0.00 C ATOM 1170 C ASP A 73 7.286 -6.582 0.232 1.00 0.00 C ATOM 1171 O ASP A 73 8.000 -7.543 0.517 1.00 0.00 O ATOM 1172 CB ASP A 73 8.724 -5.595 -1.593 1.00 0.00 C ATOM 1173 CG ASP A 73 9.666 -6.793 -1.695 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.337 -7.723 -2.465 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.708 -6.771 -1.002 1.00 0.00 O ATOM 0 H ASP A 73 6.905 -3.954 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 73 6.944 -6.788 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.692 -5.078 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.117 -4.888 -0.863 1.00 0.00 H new ATOM 1180 N ALA A 74 6.475 -6.003 1.127 1.00 0.00 N ATOM 1181 CA ALA A 74 6.444 -6.405 2.520 1.00 0.00 C ATOM 1182 C ALA A 74 5.031 -6.697 3.020 1.00 0.00 C ATOM 1183 O ALA A 74 4.879 -7.141 4.153 1.00 0.00 O ATOM 1184 CB ALA A 74 7.051 -5.282 3.352 1.00 0.00 C ATOM 0 H ALA A 74 5.829 -5.248 0.897 1.00 0.00 H new ATOM 0 HA ALA A 74 7.012 -7.330 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.039 -5.562 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.079 -5.109 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.470 -4.371 3.212 1.00 0.00 H new ATOM 1190 N MET A 75 4.006 -6.456 2.195 1.00 0.00 N ATOM 1191 CA MET A 75 2.645 -6.770 2.607 1.00 0.00 C ATOM 1192 C MET A 75 1.801 -7.449 1.533 1.00 0.00 C ATOM 1193 O MET A 75 0.898 -8.203 1.881 1.00 0.00 O ATOM 1194 CB MET A 75 1.939 -5.496 3.047 1.00 0.00 C ATOM 1195 CG MET A 75 0.973 -5.837 4.176 1.00 0.00 C ATOM 1196 SD MET A 75 -0.215 -4.523 4.565 1.00 0.00 S ATOM 1197 CE MET A 75 0.946 -3.179 4.890 1.00 0.00 C ATOM 0 H MET A 75 4.094 -6.054 1.262 1.00 0.00 H new ATOM 0 HA MET A 75 2.742 -7.483 3.426 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.667 -4.757 3.383 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.400 -5.054 2.209 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.424 -6.740 3.908 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.548 -6.068 5.073 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.393 -2.263 5.097 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.564 -3.432 5.751 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.583 -3.029 4.018 1.00 0.00 H new ATOM 1207 N ASP A 76 2.049 -7.214 0.241 1.00 0.00 N ATOM 1208 CA ASP A 76 1.232 -7.892 -0.755 1.00 0.00 C ATOM 1209 C ASP A 76 1.452 -9.398 -0.667 1.00 0.00 C ATOM 1210 O ASP A 76 2.581 -9.874 -0.554 1.00 0.00 O ATOM 1211 CB ASP A 76 1.541 -7.380 -2.165 1.00 0.00 C ATOM 1212 CG ASP A 76 1.024 -8.332 -3.240 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.211 -8.510 -3.304 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.866 -8.873 -3.988 1.00 0.00 O ATOM 0 H ASP A 76 2.771 -6.592 -0.122 1.00 0.00 H new ATOM 0 HA ASP A 76 0.184 -7.675 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.089 -6.397 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.618 -7.254 -2.278 1.00 0.00 H new ATOM 1219 N GLY A 77 0.350 -10.149 -0.733 1.00 0.00 N ATOM 1220 CA GLY A 77 0.374 -11.605 -0.712 1.00 0.00 C ATOM 1221 C GLY A 77 0.662 -12.173 0.680 1.00 0.00 C ATOM 1222 O GLY A 77 0.903 -13.372 0.810 1.00 0.00 O ATOM 0 H GLY A 77 -0.589 -9.756 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.585 -11.985 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.132 -11.962 -1.409 1.00 0.00 H new ATOM 1226 N ALA A 78 0.636 -11.330 1.719 1.00 0.00 N ATOM 1227 CA ALA A 78 0.899 -11.757 3.093 1.00 0.00 C ATOM 1228 C ALA A 78 -0.373 -12.337 3.710 1.00 0.00 C ATOM 1229 O ALA A 78 -0.635 -12.186 4.905 1.00 0.00 O ATOM 1230 CB ALA A 78 1.424 -10.572 3.902 1.00 0.00 C ATOM 0 H ALA A 78 0.432 -10.335 1.628 1.00 0.00 H new ATOM 0 HA ALA A 78 1.659 -12.539 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.620 -10.889 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.347 -10.205 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.680 -9.775 3.905 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.160 -13.002 2.866 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.505 -13.450 3.180 1.00 0.00 C ATOM 1238 C VAL A 79 -2.553 -14.644 4.121 1.00 0.00 C ATOM 1239 O VAL A 79 -1.530 -15.225 4.479 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.226 -13.754 1.872 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.737 -15.038 1.211 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -4.736 -13.741 1.992 1.00 0.00 C ATOM 0 H VAL A 79 -0.867 -13.248 1.921 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.006 -12.647 3.721 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.961 -12.926 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.287 -15.202 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.673 -14.952 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.902 -15.879 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.180 -13.966 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.050 -14.492 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.066 -12.756 2.323 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.780 -14.995 4.510 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.031 -16.144 5.383 1.00 0.00 C ATOM 1254 C LEU A 80 -5.413 -16.765 5.160 1.00 0.00 C ATOM 1255 O LEU A 80 -5.794 -17.690 5.876 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.826 -15.759 6.859 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.049 -15.123 7.536 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.690 -14.796 8.983 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.499 -13.837 6.849 1.00 0.00 C ATOM 0 H LEU A 80 -4.624 -14.494 4.231 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.303 -16.910 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.543 -16.652 7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.989 -15.064 6.925 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.869 -15.839 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.549 -14.343 9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.412 -15.712 9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.852 -14.099 9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.366 -13.431 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.688 -13.109 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.764 -14.051 5.814 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.167 -16.262 4.177 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.531 -16.702 3.929 1.00 0.00 C ATOM 1273 C ASP A 81 -7.857 -16.756 2.435 1.00 0.00 C ATOM 1274 O ASP A 81 -8.953 -17.171 2.060 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.477 -15.741 4.656 1.00 0.00 C ATOM 1276 CG ASP A 81 -9.945 -16.115 4.488 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.307 -17.232 4.920 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -10.690 -15.282 3.923 1.00 0.00 O ATOM 0 H ASP A 81 -5.843 -15.539 3.535 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.653 -17.718 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.229 -15.729 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.319 -14.730 4.280 1.00 0.00 H new ATOM 1283 N GLY A 82 -6.920 -16.341 1.576 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.155 -16.308 0.140 1.00 0.00 C ATOM 1285 C GLY A 82 -7.240 -14.866 -0.345 1.00 0.00 C ATOM 1286 O GLY A 82 -7.239 -14.611 -1.551 1.00 0.00 O ATOM 0 H GLY A 82 -5.992 -16.024 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.350 -16.828 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.080 -16.834 -0.097 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.310 -13.927 0.601 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.261 -12.501 0.338 1.00 0.00 C ATOM 1292 C ARG A 83 -6.909 -11.778 1.634 1.00 0.00 C ATOM 1293 O ARG A 83 -7.537 -12.005 2.664 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.608 -12.037 -0.223 1.00 0.00 C ATOM 1295 CG ARG A 83 -8.868 -10.563 0.087 1.00 0.00 C ATOM 1296 CD ARG A 83 -9.728 -10.321 1.325 1.00 0.00 C ATOM 1297 NE ARG A 83 -10.994 -11.068 1.285 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.224 -12.215 1.936 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -10.285 -12.781 2.690 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.407 -12.810 1.840 1.00 0.00 N ATOM 0 H ARG A 83 -7.404 -14.150 1.592 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.498 -12.271 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.626 -12.191 -1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.408 -12.645 0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.911 -10.058 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.354 -10.104 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.168 -10.609 2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.941 -9.256 1.413 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.752 -10.684 0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.369 -12.341 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.481 -13.655 3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.143 -12.393 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.580 -13.684 2.337 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.899 -10.906 1.565 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.562 -9.984 2.635 1.00 0.00 C ATOM 1316 C GLU A 84 -5.082 -8.675 2.013 1.00 0.00 C ATOM 1317 O GLU A 84 -5.564 -7.605 2.382 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.458 -10.520 3.543 1.00 0.00 C ATOM 1319 CG GLU A 84 -4.976 -11.412 4.674 1.00 0.00 C ATOM 1320 CD GLU A 84 -5.767 -10.612 5.706 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -5.128 -10.076 6.639 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.006 -10.541 5.562 1.00 0.00 O ATOM 0 H GLU A 84 -5.289 -10.826 0.751 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.455 -9.841 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.747 -11.086 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.913 -9.680 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.609 -12.196 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.136 -11.906 5.162 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.134 -8.769 1.068 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.605 -7.608 0.360 1.00 0.00 C ATOM 1331 C LEU A 85 -3.417 -7.892 -1.123 1.00 0.00 C ATOM 1332 O LEU A 85 -3.205 -9.033 -1.528 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.199 -7.243 0.866 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.046 -6.608 2.246 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.989 -5.422 2.414 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.245 -7.629 3.356 1.00 0.00 C ATOM 0 H LEU A 85 -3.717 -9.654 0.778 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.328 -6.810 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.600 -8.154 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.756 -6.561 0.140 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.024 -6.236 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.857 -4.990 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.765 -4.669 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.020 -5.757 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.129 -7.141 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.245 -8.056 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.504 -8.422 3.258 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.494 -6.812 -1.909 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.087 -6.746 -3.307 1.00 0.00 C ATOM 1350 C ARG A 86 -2.647 -5.310 -3.560 1.00 0.00 C ATOM 1351 O ARG A 86 -3.488 -4.422 -3.700 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.230 -7.147 -4.255 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.540 -8.647 -4.239 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.346 -9.507 -4.655 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.047 -9.360 -6.085 1.00 0.00 N ATOM 1356 CZ ARG A 86 -1.824 -9.459 -6.618 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -0.751 -9.635 -5.852 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -1.673 -9.388 -7.935 1.00 0.00 N ATOM 0 H ARG A 86 -3.859 -5.923 -1.567 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.277 -7.449 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.129 -6.595 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.970 -6.849 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.858 -8.936 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.376 -8.847 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.472 -9.225 -4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.555 -10.553 -4.432 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.826 -9.169 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.852 -9.697 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.173 -9.708 -6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.487 -9.259 -8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.743 -9.463 -8.346 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.334 -5.077 -3.615 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.783 -3.742 -3.813 1.00 0.00 C ATOM 1374 C VAL A 87 0.276 -3.742 -4.904 1.00 0.00 C ATOM 1375 O VAL A 87 1.163 -4.593 -4.924 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.260 -3.163 -2.494 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.727 -4.061 -1.765 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.404 -1.803 -2.721 1.00 0.00 C ATOM 0 H VAL A 87 -0.628 -5.808 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.586 -3.087 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.144 -3.068 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.047 -3.576 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.248 -5.011 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.594 -4.240 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.767 -1.412 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.241 -1.917 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.323 -1.110 -3.145 1.00 0.00 H new ATOM 1388 N GLN A 88 0.162 -2.766 -5.808 1.00 0.00 N ATOM 1389 CA GLN A 88 1.029 -2.597 -6.966 1.00 0.00 C ATOM 1390 C GLN A 88 1.064 -1.128 -7.368 1.00 0.00 C ATOM 1391 O GLN A 88 0.373 -0.290 -6.792 1.00 0.00 O ATOM 1392 CB GLN A 88 0.504 -3.399 -8.167 1.00 0.00 C ATOM 1393 CG GLN A 88 0.364 -4.903 -7.923 1.00 0.00 C ATOM 1394 CD GLN A 88 -0.923 -5.270 -7.191 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.922 -4.558 -7.261 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -0.914 -6.390 -6.479 1.00 0.00 N ATOM 0 H GLN A 88 -0.562 -2.050 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 88 2.023 -2.952 -6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.469 -3.000 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.175 -3.243 -9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.393 -5.425 -8.879 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.218 -5.253 -7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.070 -6.962 -6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.751 -6.679 -5.972 1.00 0.00 H new ATOM 1405 N MET A 89 1.883 -0.824 -8.369 1.00 0.00 N ATOM 1406 CA MET A 89 1.999 0.509 -8.933 1.00 0.00 C ATOM 1407 C MET A 89 0.799 0.775 -9.832 1.00 0.00 C ATOM 1408 O MET A 89 0.434 -0.081 -10.642 1.00 0.00 O ATOM 1409 CB MET A 89 3.304 0.549 -9.723 1.00 0.00 C ATOM 1410 CG MET A 89 4.442 0.386 -8.717 1.00 0.00 C ATOM 1411 SD MET A 89 4.925 1.939 -7.920 1.00 0.00 S ATOM 1412 CE MET A 89 6.077 1.293 -6.688 1.00 0.00 C ATOM 0 H MET A 89 2.492 -1.509 -8.815 1.00 0.00 H new ATOM 0 HA MET A 89 2.013 1.278 -8.161 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.329 -0.248 -10.466 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.399 1.491 -10.263 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.140 -0.328 -7.951 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.308 -0.038 -9.225 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.558 2.122 -6.170 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.534 0.681 -5.968 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.835 0.685 -7.182 1.00 0.00 H new ATOM 1422 N ALA A 90 0.180 1.949 -9.699 1.00 0.00 N ATOM 1423 CA ALA A 90 -0.989 2.297 -10.487 1.00 0.00 C ATOM 1424 C ALA A 90 -0.634 2.389 -11.974 1.00 0.00 C ATOM 1425 O ALA A 90 0.495 2.731 -12.332 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.560 3.624 -9.990 1.00 0.00 C ATOM 0 H ALA A 90 0.476 2.675 -9.047 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.740 1.516 -10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.438 3.886 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.843 3.528 -8.942 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.807 4.405 -10.092 1.00 0.00 H new ATOM 1432 N ARG A 91 -1.610 2.084 -12.834 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.496 2.207 -14.288 1.00 0.00 C ATOM 1434 C ARG A 91 -2.803 2.767 -14.841 1.00 0.00 C ATOM 1435 O ARG A 91 -3.096 2.664 -16.031 1.00 0.00 O ATOM 1436 CB ARG A 91 -1.175 0.852 -14.924 1.00 0.00 C ATOM 1437 CG ARG A 91 0.163 0.288 -14.435 1.00 0.00 C ATOM 1438 CD ARG A 91 0.443 -1.074 -15.072 1.00 0.00 C ATOM 1439 NE ARG A 91 0.609 -0.970 -16.529 1.00 0.00 N ATOM 1440 CZ ARG A 91 0.787 -2.013 -17.342 1.00 0.00 C ATOM 1441 NH1 ARG A 91 0.836 -3.249 -16.854 1.00 0.00 N ATOM 1442 NH2 ARG A 91 0.918 -1.821 -18.648 1.00 0.00 N ATOM 0 H ARG A 91 -2.520 1.737 -12.531 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.679 2.886 -14.531 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.972 0.145 -14.692 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.148 0.958 -16.008 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.967 0.982 -14.681 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.147 0.191 -13.349 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.344 -1.503 -14.633 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.377 -1.756 -14.847 1.00 0.00 H new ATOM 0 HE ARG A 91 0.587 -0.039 -16.946 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.737 -3.406 -15.851 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.972 -4.041 -17.483 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.883 -0.876 -19.031 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.054 -2.618 -19.270 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.583 3.369 -13.940 1.00 0.00 N ATOM 1457 CA TYR A 92 -4.890 3.941 -14.183 1.00 0.00 C ATOM 1458 C TYR A 92 -4.975 5.165 -13.269 1.00 0.00 C ATOM 1459 O TYR A 92 -4.440 5.129 -12.163 1.00 0.00 O ATOM 1460 CB TYR A 92 -5.916 2.846 -13.883 1.00 0.00 C ATOM 1461 CG TYR A 92 -7.380 3.210 -13.970 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -7.846 4.267 -14.767 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -8.287 2.446 -13.223 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -9.215 4.581 -14.779 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -9.651 2.764 -13.216 1.00 0.00 C ATOM 1466 CZ TYR A 92 -10.124 3.830 -14.000 1.00 0.00 C ATOM 1467 OH TYR A 92 -11.453 4.135 -14.013 1.00 0.00 O ATOM 0 H TYR A 92 -3.293 3.471 -12.967 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.078 4.271 -15.205 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.735 2.020 -14.570 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.723 2.472 -12.877 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.154 4.837 -15.369 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.931 1.604 -12.648 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.574 5.399 -15.386 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.337 2.192 -12.610 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.936 3.519 -13.423 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.633 6.247 -13.702 1.00 0.00 N ATOM 1478 CA GLY A 93 -5.538 7.525 -13.006 1.00 0.00 C ATOM 1479 C GLY A 93 -6.868 8.060 -12.485 1.00 0.00 C ATOM 1480 O GLY A 93 -7.927 7.484 -12.734 1.00 0.00 O ATOM 0 H GLY A 93 -6.233 6.258 -14.527 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.850 7.418 -12.167 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.104 8.262 -13.682 1.00 0.00 H new ATOM 1484 N ARG A 94 -6.789 9.176 -11.751 1.00 0.00 N ATOM 1485 CA ARG A 94 -7.923 9.841 -11.125 1.00 0.00 C ATOM 1486 C ARG A 94 -8.924 10.292 -12.198 1.00 0.00 C ATOM 1487 O ARG A 94 -8.513 10.773 -13.251 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.382 11.027 -10.313 1.00 0.00 C ATOM 1489 CG ARG A 94 -8.428 11.603 -9.361 1.00 0.00 C ATOM 1490 CD ARG A 94 -7.818 12.739 -8.540 1.00 0.00 C ATOM 1491 NE ARG A 94 -8.771 13.246 -7.546 1.00 0.00 N ATOM 1492 CZ ARG A 94 -8.611 14.386 -6.862 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -7.539 15.150 -7.051 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -9.530 14.766 -5.983 1.00 0.00 N ATOM 0 H ARG A 94 -5.904 9.651 -11.575 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.456 9.163 -10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.511 10.706 -9.741 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.045 11.808 -10.995 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.284 11.971 -9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.797 10.821 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.918 12.385 -8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.515 13.549 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.610 12.694 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.826 14.870 -7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.430 16.016 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.357 14.190 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.409 15.634 -5.462 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.232 10.146 -11.945 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.284 10.453 -12.906 1.00 0.00 C ATOM 1510 C PRO A 95 -11.446 11.956 -13.154 1.00 0.00 C ATOM 1511 O PRO A 95 -11.244 12.759 -12.241 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.565 9.890 -12.281 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.284 9.929 -10.779 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.793 9.630 -10.710 1.00 0.00 C ATOM 0 HA PRO A 95 -11.048 10.020 -13.878 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.435 10.492 -12.541 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.765 8.875 -12.625 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.522 10.901 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.871 9.187 -10.238 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.337 10.108 -9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.612 8.559 -10.615 1.00 0.00 H new ATOM 1522 N PRO A 96 -11.813 12.342 -14.384 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.153 13.709 -14.745 1.00 0.00 C ATOM 1524 C PRO A 96 -13.606 14.039 -14.392 1.00 0.00 C ATOM 1525 O PRO A 96 -13.951 15.205 -14.199 1.00 0.00 O ATOM 1526 CB PRO A 96 -11.991 13.745 -16.263 1.00 0.00 C ATOM 1527 CG PRO A 96 -12.419 12.337 -16.684 1.00 0.00 C ATOM 1528 CD PRO A 96 -11.923 11.463 -15.532 1.00 0.00 C ATOM 0 HA PRO A 96 -11.528 14.428 -14.216 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.618 14.511 -16.718 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.963 13.959 -16.555 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.499 12.265 -16.808 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.969 12.046 -17.633 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.618 10.647 -15.334 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.960 11.011 -15.771 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.456 13.011 -14.309 1.00 0.00 N ATOM 1537 CA ASP A 97 -15.869 13.133 -13.979 1.00 0.00 C ATOM 1538 C ASP A 97 -16.342 11.838 -13.318 1.00 0.00 C ATOM 1539 O ASP A 97 -15.687 10.804 -13.460 1.00 0.00 O ATOM 1540 CB ASP A 97 -16.658 13.418 -15.261 1.00 0.00 C ATOM 1541 CG ASP A 97 -18.137 13.691 -14.982 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -18.427 14.309 -13.933 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -18.968 13.282 -15.820 1.00 0.00 O ATOM 0 H ASP A 97 -14.167 12.047 -14.475 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.030 13.955 -13.282 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.222 14.277 -15.770 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.569 12.568 -15.937 1.00 0.00 H new ATOM 1548 N SER A 98 -17.466 11.869 -12.594 1.00 0.00 N ATOM 1549 CA SER A 98 -17.853 10.739 -11.764 1.00 0.00 C ATOM 1550 C SER A 98 -18.338 9.527 -12.551 1.00 0.00 C ATOM 1551 O SER A 98 -17.825 8.426 -12.350 1.00 0.00 O ATOM 1552 CB SER A 98 -18.940 11.166 -10.775 1.00 0.00 C ATOM 1553 OG SER A 98 -20.017 11.769 -11.457 1.00 0.00 O ATOM 0 H SER A 98 -18.113 12.658 -12.570 1.00 0.00 H new ATOM 0 HA SER A 98 -16.948 10.429 -11.241 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.294 10.299 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.525 11.864 -10.048 1.00 0.00 H new ATOM 0 HG SER A 98 -20.705 12.035 -10.812 1.00 0.00 H new ATOM 1559 N HIS A 99 -19.317 9.702 -13.441 1.00 0.00 N ATOM 1560 CA HIS A 99 -19.904 8.577 -14.152 1.00 0.00 C ATOM 1561 C HIS A 99 -20.706 9.049 -15.365 1.00 0.00 C ATOM 1562 O HIS A 99 -20.907 10.248 -15.558 1.00 0.00 O ATOM 1563 CB HIS A 99 -20.795 7.798 -13.182 1.00 0.00 C ATOM 1564 CG HIS A 99 -22.012 8.563 -12.727 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -23.185 8.735 -13.466 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -22.146 9.193 -11.524 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -23.994 9.468 -12.684 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -23.401 9.752 -11.513 1.00 0.00 N ATOM 0 H HIS A 99 -19.715 10.610 -13.682 1.00 0.00 H new ATOM 0 HA HIS A 99 -19.110 7.930 -14.524 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -21.117 6.873 -13.661 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -20.207 7.517 -12.309 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -21.410 9.242 -10.735 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -24.988 9.786 -12.960 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -23.811 10.289 -10.749 1.00 0.00 H new ATOM 1576 N HIS A 100 -21.164 8.098 -16.180 1.00 0.00 N ATOM 1577 CA HIS A 100 -21.952 8.380 -17.373 1.00 0.00 C ATOM 1578 C HIS A 100 -22.849 7.187 -17.704 1.00 0.00 C ATOM 1579 O HIS A 100 -22.665 6.102 -17.154 1.00 0.00 O ATOM 1580 CB HIS A 100 -21.005 8.683 -18.536 1.00 0.00 C ATOM 1581 CG HIS A 100 -21.713 9.080 -19.805 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -22.728 10.035 -19.898 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -21.466 8.560 -21.044 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -23.066 10.066 -21.198 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -22.325 9.195 -21.907 1.00 0.00 N ATOM 0 H HIS A 100 -20.995 7.104 -16.027 1.00 0.00 H new ATOM 0 HA HIS A 100 -22.591 9.245 -17.197 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -20.328 9.485 -18.242 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -20.392 7.804 -18.732 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -20.740 7.801 -21.295 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -23.830 10.704 -21.617 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -22.390 9.034 -22.912 1.00 0.00 H new ATOM 1593 N SER A 101 -23.811 7.392 -18.606 1.00 0.00 N ATOM 1594 CA SER A 101 -24.757 6.364 -19.023 1.00 0.00 C ATOM 1595 C SER A 101 -25.126 6.561 -20.488 1.00 0.00 C ATOM 1596 O SER A 101 -24.805 5.650 -21.284 1.00 0.00 O ATOM 1597 CB SER A 101 -26.015 6.429 -18.158 1.00 0.00 C ATOM 1598 OG SER A 101 -25.698 6.137 -16.809 1.00 0.00 O ATOM 1599 OXT SER A 101 -25.721 7.614 -20.799 1.00 0.00 O ATOM 0 H SER A 101 -23.954 8.289 -19.071 1.00 0.00 H new ATOM 0 HA SER A 101 -24.292 5.386 -18.901 1.00 0.00 H new ATOM 0 HB2 SER A 101 -26.462 7.421 -18.227 1.00 0.00 H new ATOM 0 HB3 SER A 101 -26.756 5.719 -18.527 1.00 0.00 H new ATOM 0 HG SER A 101 -26.511 6.183 -16.264 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -11.613 -6.818 -10.470 1.00 0.00 O ATOM 1607 C5' U B 102 -11.614 -6.856 -9.056 1.00 0.00 C ATOM 1608 C4' U B 102 -11.296 -5.475 -8.491 1.00 0.00 C ATOM 1609 O4' U B 102 -12.423 -4.629 -8.627 1.00 0.00 O ATOM 1610 C3' U B 102 -11.015 -5.556 -6.993 1.00 0.00 C ATOM 1611 O3' U B 102 -9.698 -5.909 -6.563 1.00 0.00 O ATOM 1612 C2' U B 102 -11.512 -4.227 -6.437 1.00 0.00 C ATOM 1613 O2' U B 102 -10.495 -3.255 -6.353 1.00 0.00 O ATOM 1614 C1' U B 102 -12.542 -3.795 -7.480 1.00 0.00 C ATOM 1615 N1 U B 102 -13.898 -3.842 -6.888 1.00 0.00 N ATOM 1616 C2 U B 102 -14.588 -5.050 -6.793 1.00 0.00 C ATOM 1617 O2 U B 102 -14.123 -6.127 -7.157 1.00 0.00 O ATOM 1618 N3 U B 102 -15.865 -4.981 -6.254 1.00 0.00 N ATOM 1619 C4 U B 102 -16.498 -3.840 -5.796 1.00 0.00 C ATOM 1620 O4 U B 102 -17.640 -3.893 -5.349 1.00 0.00 O ATOM 1621 C5 U B 102 -15.696 -2.642 -5.903 1.00 0.00 C ATOM 1622 C6 U B 102 -14.454 -2.680 -6.432 1.00 0.00 C ATOM 0 H5' U B 102 -10.878 -7.579 -8.704 1.00 0.00 H new ATOM 0 H5'' U B 102 -12.587 -7.189 -8.695 1.00 0.00 H new ATOM 0 H4' U B 102 -10.431 -5.095 -9.034 1.00 0.00 H new ATOM 0 H3' U B 102 -11.540 -6.422 -6.590 1.00 0.00 H new ATOM 0 H2' U B 102 -11.896 -4.330 -5.422 1.00 0.00 H new ATOM 0 HO2' U B 102 -10.802 -2.508 -5.798 1.00 0.00 H new ATOM 0 HO5' U B 102 -11.817 -7.710 -10.821 1.00 0.00 H new ATOM 0 H1' U B 102 -12.361 -2.767 -7.795 1.00 0.00 H new ATOM 0 H3 U B 102 -16.386 -5.855 -6.190 1.00 0.00 H new ATOM 0 H5 U B 102 -16.096 -1.702 -5.554 1.00 0.00 H new ATOM 0 H6 U B 102 -13.884 -1.765 -6.497 1.00 0.00 H new ATOM 1634 P G B 103 -8.322 -5.637 -7.386 1.00 0.00 P ATOM 1635 OP1 G B 103 -8.497 -6.108 -8.782 1.00 0.00 O ATOM 1636 OP2 G B 103 -7.221 -6.209 -6.577 1.00 0.00 O ATOM 1637 O5' G B 103 -8.102 -4.041 -7.406 1.00 0.00 O ATOM 1638 C5' G B 103 -8.598 -3.253 -8.468 1.00 0.00 C ATOM 1639 C4' G B 103 -8.511 -1.762 -8.154 1.00 0.00 C ATOM 1640 O4' G B 103 -7.204 -1.284 -8.397 1.00 0.00 O ATOM 1641 C3' G B 103 -9.465 -1.035 -9.097 1.00 0.00 C ATOM 1642 O3' G B 103 -10.224 -0.104 -8.361 1.00 0.00 O ATOM 1643 C2' G B 103 -8.526 -0.370 -10.096 1.00 0.00 C ATOM 1644 O2' G B 103 -9.020 0.857 -10.586 1.00 0.00 O ATOM 1645 C1' G B 103 -7.307 -0.151 -9.227 1.00 0.00 C ATOM 1646 N9 G B 103 -6.092 0.010 -10.040 1.00 0.00 N ATOM 1647 C8 G B 103 -5.457 1.168 -10.359 1.00 0.00 C ATOM 1648 N7 G B 103 -4.368 1.016 -11.069 1.00 0.00 N ATOM 1649 C5 G B 103 -4.295 -0.368 -11.242 1.00 0.00 C ATOM 1650 C6 G B 103 -3.320 -1.163 -11.910 1.00 0.00 C ATOM 1651 O6 G B 103 -2.298 -0.794 -12.482 1.00 0.00 O ATOM 1652 N1 G B 103 -3.622 -2.517 -11.870 1.00 0.00 N ATOM 1653 C2 G B 103 -4.725 -3.051 -11.252 1.00 0.00 C ATOM 1654 N2 G B 103 -4.867 -4.373 -11.313 1.00 0.00 N ATOM 1655 N3 G B 103 -5.632 -2.322 -10.600 1.00 0.00 N ATOM 1656 C4 G B 103 -5.361 -0.988 -10.636 1.00 0.00 C ATOM 0 H5' G B 103 -9.635 -3.523 -8.668 1.00 0.00 H new ATOM 0 H5'' G B 103 -8.033 -3.467 -9.375 1.00 0.00 H new ATOM 0 H4' G B 103 -8.766 -1.592 -7.108 1.00 0.00 H new ATOM 0 H3' G B 103 -10.191 -1.676 -9.598 1.00 0.00 H new ATOM 0 H2' G B 103 -8.362 -0.961 -10.997 1.00 0.00 H new ATOM 0 HO2' G B 103 -9.961 0.753 -10.840 1.00 0.00 H new ATOM 0 H1' G B 103 -7.409 0.763 -8.642 1.00 0.00 H new ATOM 0 H8 G B 103 -5.822 2.137 -10.051 1.00 0.00 H new ATOM 0 H1 G B 103 -2.979 -3.160 -12.332 1.00 0.00 H new ATOM 0 H21 G B 103 -5.669 -4.821 -10.870 1.00 0.00 H new ATOM 0 H22 G B 103 -4.173 -4.938 -11.803 1.00 0.00 H new ATOM 1668 P G B 104 -11.665 0.384 -8.887 1.00 0.00 P ATOM 1669 OP1 G B 104 -12.701 -0.470 -8.261 1.00 0.00 O ATOM 1670 OP2 G B 104 -11.614 0.513 -10.363 1.00 0.00 O ATOM 1671 O5' G B 104 -11.775 1.858 -8.258 1.00 0.00 O ATOM 1672 C5' G B 104 -11.042 2.930 -8.816 1.00 0.00 C ATOM 1673 C4' G B 104 -11.437 4.227 -8.110 1.00 0.00 C ATOM 1674 O4' G B 104 -10.436 4.701 -7.225 1.00 0.00 O ATOM 1675 C3' G B 104 -11.705 5.340 -9.108 1.00 0.00 C ATOM 1676 O3' G B 104 -13.011 5.190 -9.631 1.00 0.00 O ATOM 1677 C2' G B 104 -11.520 6.569 -8.237 1.00 0.00 C ATOM 1678 O2' G B 104 -12.731 6.863 -7.578 1.00 0.00 O ATOM 1679 C1' G B 104 -10.458 6.125 -7.225 1.00 0.00 C ATOM 1680 N9 G B 104 -9.149 6.675 -7.642 1.00 0.00 N ATOM 1681 C8 G B 104 -8.524 7.811 -7.196 1.00 0.00 C ATOM 1682 N7 G B 104 -7.404 8.077 -7.810 1.00 0.00 N ATOM 1683 C5 G B 104 -7.237 7.004 -8.676 1.00 0.00 C ATOM 1684 C6 G B 104 -6.153 6.690 -9.543 1.00 0.00 C ATOM 1685 O6 G B 104 -5.139 7.349 -9.768 1.00 0.00 O ATOM 1686 N1 G B 104 -6.338 5.468 -10.177 1.00 0.00 N ATOM 1687 C2 G B 104 -7.460 4.688 -10.054 1.00 0.00 C ATOM 1688 N2 G B 104 -7.500 3.577 -10.778 1.00 0.00 N ATOM 1689 N3 G B 104 -8.485 4.979 -9.256 1.00 0.00 N ATOM 1690 C4 G B 104 -8.304 6.141 -8.582 1.00 0.00 C ATOM 0 H5' G B 104 -11.243 3.007 -9.884 1.00 0.00 H new ATOM 0 H5'' G B 104 -9.972 2.752 -8.705 1.00 0.00 H new ATOM 0 H4' G B 104 -12.336 3.978 -7.546 1.00 0.00 H new ATOM 0 H3' G B 104 -11.065 5.370 -9.990 1.00 0.00 H new ATOM 0 H2' G B 104 -11.231 7.462 -8.792 1.00 0.00 H new ATOM 0 HO2' G B 104 -13.417 7.091 -8.240 1.00 0.00 H new ATOM 0 H1' G B 104 -10.679 6.486 -6.220 1.00 0.00 H new ATOM 0 H8 G B 104 -8.923 8.431 -6.407 1.00 0.00 H new ATOM 0 H1 G B 104 -5.587 5.126 -10.776 1.00 0.00 H new ATOM 0 H21 G B 104 -8.312 2.962 -10.723 1.00 0.00 H new ATOM 0 H22 G B 104 -6.719 3.338 -11.389 1.00 0.00 H new ATOM 1702 P A B 105 -13.606 6.212 -10.716 1.00 0.00 P ATOM 1703 OP1 A B 105 -14.690 5.517 -11.451 1.00 0.00 O ATOM 1704 OP2 A B 105 -12.469 6.790 -11.465 1.00 0.00 O ATOM 1705 O5' A B 105 -14.277 7.368 -9.810 1.00 0.00 O ATOM 1706 C5' A B 105 -15.176 8.295 -10.386 1.00 0.00 C ATOM 1707 C4' A B 105 -15.719 9.338 -9.393 1.00 0.00 C ATOM 1708 O4' A B 105 -17.124 9.187 -9.312 1.00 0.00 O ATOM 1709 C3' A B 105 -15.268 9.156 -7.947 1.00 0.00 C ATOM 1710 O3' A B 105 -15.684 10.270 -7.176 1.00 0.00 O ATOM 1711 C2' A B 105 -16.106 7.945 -7.550 1.00 0.00 C ATOM 1712 O2' A B 105 -16.284 7.846 -6.154 1.00 0.00 O ATOM 1713 C1' A B 105 -17.408 8.240 -8.300 1.00 0.00 C ATOM 1714 N9 A B 105 -18.007 7.022 -8.853 1.00 0.00 N ATOM 1715 C8 A B 105 -17.365 5.972 -9.435 1.00 0.00 C ATOM 1716 N7 A B 105 -18.159 5.008 -9.814 1.00 0.00 N ATOM 1717 C5 A B 105 -19.425 5.468 -9.454 1.00 0.00 C ATOM 1718 C6 A B 105 -20.724 4.937 -9.571 1.00 0.00 C ATOM 1719 N6 A B 105 -20.997 3.751 -10.122 1.00 0.00 N ATOM 1720 N1 A B 105 -21.758 5.657 -9.107 1.00 0.00 N ATOM 1721 C2 A B 105 -21.514 6.839 -8.554 1.00 0.00 C ATOM 1722 N3 A B 105 -20.356 7.455 -8.383 1.00 0.00 N ATOM 1723 C4 A B 105 -19.338 6.702 -8.867 1.00 0.00 C ATOM 0 H5' A B 105 -16.014 7.751 -10.821 1.00 0.00 H new ATOM 0 H5'' A B 105 -14.674 8.813 -11.203 1.00 0.00 H new ATOM 0 H4' A B 105 -15.355 10.293 -9.773 1.00 0.00 H new ATOM 0 H3' A B 105 -14.192 9.051 -7.811 1.00 0.00 H new ATOM 0 H2' A B 105 -15.658 6.984 -7.801 1.00 0.00 H new ATOM 0 HO2' A B 105 -15.563 8.328 -5.697 1.00 0.00 H new ATOM 0 H1' A B 105 -18.145 8.647 -7.608 1.00 0.00 H new ATOM 0 H8 A B 105 -16.294 5.940 -9.571 1.00 0.00 H new ATOM 0 H61 A B 105 -21.962 3.424 -10.176 1.00 0.00 H new ATOM 0 H62 A B 105 -20.241 3.173 -10.489 1.00 0.00 H new ATOM 0 H2 A B 105 -22.382 7.372 -8.194 1.00 0.00 H new ATOM 1735 P G B 106 -15.122 11.755 -7.429 1.00 0.00 P ATOM 1736 OP1 G B 106 -16.261 12.613 -7.825 1.00 0.00 O ATOM 1737 OP2 G B 106 -13.924 11.669 -8.296 1.00 0.00 O ATOM 1738 O5' G B 106 -14.640 12.204 -5.967 1.00 0.00 O ATOM 1739 C5' G B 106 -15.549 12.239 -4.884 1.00 0.00 C ATOM 1740 C4' G B 106 -14.926 12.858 -3.631 1.00 0.00 C ATOM 1741 O4' G B 106 -13.762 12.149 -3.216 1.00 0.00 O ATOM 1742 C3' G B 106 -14.511 14.309 -3.882 1.00 0.00 C ATOM 1743 O3' G B 106 -14.589 15.046 -2.675 1.00 0.00 O ATOM 1744 C2' G B 106 -13.088 14.095 -4.366 1.00 0.00 C ATOM 1745 O2' G B 106 -12.265 15.235 -4.305 1.00 0.00 O ATOM 1746 C1' G B 106 -12.622 12.962 -3.460 1.00 0.00 C ATOM 1747 N9 G B 106 -11.555 12.213 -4.149 1.00 0.00 N ATOM 1748 C8 G B 106 -11.532 11.780 -5.448 1.00 0.00 C ATOM 1749 N7 G B 106 -10.427 11.178 -5.786 1.00 0.00 N ATOM 1750 C5 G B 106 -9.657 11.212 -4.620 1.00 0.00 C ATOM 1751 C6 G B 106 -8.336 10.738 -4.376 1.00 0.00 C ATOM 1752 O6 G B 106 -7.576 10.156 -5.146 1.00 0.00 O ATOM 1753 N1 G B 106 -7.918 11.002 -3.083 1.00 0.00 N ATOM 1754 C2 G B 106 -8.672 11.657 -2.140 1.00 0.00 C ATOM 1755 N2 G B 106 -8.107 11.851 -0.952 1.00 0.00 N ATOM 1756 N3 G B 106 -9.915 12.100 -2.350 1.00 0.00 N ATOM 1757 C4 G B 106 -10.345 11.840 -3.612 1.00 0.00 C ATOM 0 H5' G B 106 -15.884 11.226 -4.660 1.00 0.00 H new ATOM 0 H5'' G B 106 -16.432 12.811 -5.170 1.00 0.00 H new ATOM 0 H4' G B 106 -15.690 12.806 -2.855 1.00 0.00 H new ATOM 0 H3' G B 106 -15.123 14.879 -4.581 1.00 0.00 H new ATOM 0 H2' G B 106 -13.036 13.864 -5.430 1.00 0.00 H new ATOM 0 HO2' G B 106 -12.722 15.942 -3.803 1.00 0.00 H new ATOM 0 H1' G B 106 -12.214 13.319 -2.515 1.00 0.00 H new ATOM 0 H8 G B 106 -12.356 11.925 -6.131 1.00 0.00 H new ATOM 0 H1 G B 106 -6.986 10.689 -2.812 1.00 0.00 H new ATOM 0 H21 G B 106 -8.622 12.332 -0.215 1.00 0.00 H new ATOM 0 H22 G B 106 -7.158 11.519 -0.778 1.00 0.00 H new ATOM 1769 P U B 107 -15.990 15.186 -1.894 1.00 0.00 P ATOM 1770 OP1 U B 107 -16.068 14.078 -0.913 1.00 0.00 O ATOM 1771 OP2 U B 107 -17.068 15.337 -2.895 1.00 0.00 O ATOM 1772 O5' U B 107 -15.903 16.547 -1.032 1.00 0.00 O ATOM 1773 C5' U B 107 -16.276 17.805 -1.561 1.00 0.00 C ATOM 1774 C4' U B 107 -15.141 18.486 -2.340 1.00 0.00 C ATOM 1775 O4' U B 107 -15.033 17.960 -3.655 1.00 0.00 O ATOM 1776 C3' U B 107 -15.483 19.968 -2.470 1.00 0.00 C ATOM 1777 O3' U B 107 -14.338 20.764 -2.706 1.00 0.00 O ATOM 1778 C2' U B 107 -16.362 19.860 -3.692 1.00 0.00 C ATOM 1779 O2' U B 107 -16.662 21.105 -4.291 1.00 0.00 O ATOM 1780 C1' U B 107 -15.542 18.921 -4.561 1.00 0.00 C ATOM 1781 N1 U B 107 -16.326 18.275 -5.633 1.00 0.00 N ATOM 1782 C2 U B 107 -15.864 18.392 -6.936 1.00 0.00 C ATOM 1783 O2 U B 107 -14.831 19.000 -7.215 1.00 0.00 O ATOM 1784 N3 U B 107 -16.624 17.781 -7.916 1.00 0.00 N ATOM 1785 C4 U B 107 -17.793 17.066 -7.707 1.00 0.00 C ATOM 1786 O4 U B 107 -18.390 16.562 -8.654 1.00 0.00 O ATOM 1787 C5 U B 107 -18.197 16.989 -6.321 1.00 0.00 C ATOM 1788 C6 U B 107 -17.469 17.580 -5.346 1.00 0.00 C ATOM 0 H5' U B 107 -16.593 18.457 -0.747 1.00 0.00 H new ATOM 0 H5'' U B 107 -17.135 17.676 -2.219 1.00 0.00 H new ATOM 0 H4' U B 107 -14.204 18.320 -1.808 1.00 0.00 H new ATOM 0 H3' U B 107 -15.927 20.440 -1.593 1.00 0.00 H new ATOM 0 H2' U B 107 -17.367 19.491 -3.487 1.00 0.00 H new ATOM 0 HO2' U B 107 -17.232 20.962 -5.076 1.00 0.00 H new ATOM 0 HO3' U B 107 -14.604 21.704 -2.784 1.00 0.00 H new ATOM 0 H1' U B 107 -14.763 19.467 -5.093 1.00 0.00 H new ATOM 0 H3 U B 107 -16.295 17.864 -8.878 1.00 0.00 H new ATOM 0 H5 U B 107 -19.096 16.450 -6.059 1.00 0.00 H new ATOM 0 H6 U B 107 -17.797 17.502 -4.320 1.00 0.00 H new TER 1800 U B 107