USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=31 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 -131:sc= 0.51 USER MOD Set 1.2: B 104 G O2' : rot -52:sc= 0.313 USER MOD Set 2.1: A 72 MET CE :methyl 170:sc= -1.32 (180deg=-1.46) USER MOD Set 2.2: A 89 MET CE :methyl 155:sc= -0.0723 (180deg=-0.174) USER MOD Set 3.1: A 37 TYR OH : rot 180:sc=-0.00945 USER MOD Set 3.2: A 75 MET CE :methyl 180:sc= -1.82 (180deg=-1.82) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0.21 USER MOD Set 4.2: A 29 THR OG1 : rot 88:sc= 0.218 USER MOD Set 5.1: A 13 MET CE :methyl -152:sc= -0.0306 (180deg=-1.59!) USER MOD Set 5.2: A 15 SER OG : rot 150:sc= 0.342 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0115 (180deg=-0.286) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 90:sc= -1.35 USER MOD Single : A 17 LYS NZ :NH3+ -126:sc= 2.77 (180deg=-0.114) USER MOD Single : A 20 ASN : amide:sc= -2.03 X(o=-2,f=-1.9) USER MOD Single : A 22 THR OG1 : rot 165:sc= 1.33 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 81:sc= 0.0132 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -130:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -2.96 K(o=-3,f=-0.82) USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0148) USER MOD Single : A 88 GLN : amide:sc= 0.772 K(o=0.77,f=-3.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.38) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 26:sc= 0.242 USER MOD Single : B 102 U O5' : rot 180:sc= -0.0388 USER MOD Single : B 103 G O2' : rot -60:sc= 1.95 USER MOD Single : B 105 A O2' : rot 21:sc= 0.124 USER MOD Single : B 106 G O2' : rot 75:sc= 1.07 USER MOD Single : B 107 U O2' : rot 180:sc= -1.26! USER MOD Single : B 107 U O3' : rot -130:sc= -1.44 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.514 19.102 8.682 1.00 0.00 N ATOM 2 CA MET A 1 -8.622 18.670 7.590 1.00 0.00 C ATOM 3 C MET A 1 -9.106 17.353 6.996 1.00 0.00 C ATOM 4 O MET A 1 -9.362 16.397 7.732 1.00 0.00 O ATOM 5 CB MET A 1 -7.182 18.538 8.095 1.00 0.00 C ATOM 6 CG MET A 1 -6.233 18.192 6.949 1.00 0.00 C ATOM 7 SD MET A 1 -4.500 17.999 7.434 1.00 0.00 S ATOM 8 CE MET A 1 -4.127 19.704 7.928 1.00 0.00 C ATOM 0 H1 MET A 1 -9.170 20.001 9.076 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.477 19.232 8.312 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.524 18.378 9.429 1.00 0.00 H new ATOM 0 HA MET A 1 -8.642 19.427 6.806 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.869 19.472 8.563 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.130 17.765 8.862 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.571 17.267 6.483 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.299 18.973 6.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.048 19.829 8.019 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.510 20.393 7.175 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.599 19.916 8.887 1.00 0.00 H new ATOM 18 N SER A 2 -9.240 17.298 5.668 1.00 0.00 N ATOM 19 CA SER A 2 -9.683 16.108 4.959 1.00 0.00 C ATOM 20 C SER A 2 -9.054 16.038 3.571 1.00 0.00 C ATOM 21 O SER A 2 -8.412 16.986 3.122 1.00 0.00 O ATOM 22 CB SER A 2 -11.209 16.134 4.835 1.00 0.00 C ATOM 23 OG SER A 2 -11.610 17.194 3.987 1.00 0.00 O ATOM 0 H SER A 2 -9.041 18.088 5.055 1.00 0.00 H new ATOM 0 HA SER A 2 -9.371 15.227 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.565 15.184 4.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.660 16.256 5.820 1.00 0.00 H new ATOM 0 HG SER A 2 -12.587 17.202 3.912 1.00 0.00 H new ATOM 29 N TYR A 3 -9.247 14.905 2.891 1.00 0.00 N ATOM 30 CA TYR A 3 -8.730 14.676 1.550 1.00 0.00 C ATOM 31 C TYR A 3 -9.592 15.366 0.490 1.00 0.00 C ATOM 32 O TYR A 3 -9.379 15.156 -0.702 1.00 0.00 O ATOM 33 CB TYR A 3 -8.696 13.174 1.281 1.00 0.00 C ATOM 34 CG TYR A 3 -7.923 12.386 2.314 1.00 0.00 C ATOM 35 CD1 TYR A 3 -6.537 12.220 2.178 1.00 0.00 C ATOM 36 CD2 TYR A 3 -8.589 11.825 3.413 1.00 0.00 C ATOM 37 CE1 TYR A 3 -5.816 11.484 3.131 1.00 0.00 C ATOM 38 CE2 TYR A 3 -7.876 11.079 4.365 1.00 0.00 C ATOM 39 CZ TYR A 3 -6.485 10.908 4.229 1.00 0.00 C ATOM 40 OH TYR A 3 -5.787 10.188 5.154 1.00 0.00 O ATOM 0 H TYR A 3 -9.773 14.115 3.265 1.00 0.00 H new ATOM 0 HA TYR A 3 -7.726 15.097 1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -9.718 12.798 1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -8.254 13.000 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.023 12.660 1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.653 11.967 3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -4.749 11.359 3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.395 10.636 5.202 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.400 9.862 5.846 1.00 0.00 H new ATOM 50 N GLY A 4 -10.563 16.189 0.909 1.00 0.00 N ATOM 51 CA GLY A 4 -11.513 16.812 0.001 1.00 0.00 C ATOM 52 C GLY A 4 -10.857 17.550 -1.162 1.00 0.00 C ATOM 53 O GLY A 4 -11.307 17.412 -2.295 1.00 0.00 O ATOM 0 H GLY A 4 -10.705 16.436 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.179 16.046 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.132 17.513 0.562 1.00 0.00 H new ATOM 57 N ARG A 5 -9.801 18.330 -0.904 1.00 0.00 N ATOM 58 CA ARG A 5 -9.158 19.108 -1.956 1.00 0.00 C ATOM 59 C ARG A 5 -7.722 19.572 -1.664 1.00 0.00 C ATOM 60 O ARG A 5 -7.303 20.571 -2.251 1.00 0.00 O ATOM 61 CB ARG A 5 -10.050 20.287 -2.313 1.00 0.00 C ATOM 62 CG ARG A 5 -10.294 21.169 -1.095 1.00 0.00 C ATOM 63 CD ARG A 5 -10.977 22.440 -1.564 1.00 0.00 C ATOM 64 NE ARG A 5 -11.201 23.376 -0.456 1.00 0.00 N ATOM 65 CZ ARG A 5 -12.397 23.623 0.086 1.00 0.00 C ATOM 66 NH1 ARG A 5 -13.494 23.012 -0.356 1.00 0.00 N ATOM 67 NH2 ARG A 5 -12.505 24.489 1.090 1.00 0.00 N ATOM 0 H ARG A 5 -9.380 18.436 0.019 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.041 18.429 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.585 20.874 -3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.002 19.924 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.916 20.649 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.352 21.403 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.366 22.920 -2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.931 22.190 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.393 23.869 -0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.431 22.341 -1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.398 23.214 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.675 24.964 1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.418 24.678 1.504 1.00 0.00 H new ATOM 81 N PRO A 6 -6.935 18.920 -0.793 1.00 0.00 N ATOM 82 CA PRO A 6 -5.560 19.332 -0.571 1.00 0.00 C ATOM 83 C PRO A 6 -4.743 18.987 -1.816 1.00 0.00 C ATOM 84 O PRO A 6 -5.003 17.956 -2.438 1.00 0.00 O ATOM 85 CB PRO A 6 -5.093 18.539 0.647 1.00 0.00 C ATOM 86 CG PRO A 6 -5.933 17.266 0.578 1.00 0.00 C ATOM 87 CD PRO A 6 -7.257 17.751 -0.002 1.00 0.00 C ATOM 0 HA PRO A 6 -5.449 20.402 -0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.026 18.320 0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.266 19.086 1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.468 16.511 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.065 16.817 1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.721 16.979 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.964 17.997 0.790 1.00 0.00 H new ATOM 95 N PRO A 7 -3.764 19.823 -2.187 1.00 0.00 N ATOM 96 CA PRO A 7 -2.964 19.636 -3.390 1.00 0.00 C ATOM 97 C PRO A 7 -1.984 18.474 -3.215 1.00 0.00 C ATOM 98 O PRO A 7 -1.082 18.541 -2.378 1.00 0.00 O ATOM 99 CB PRO A 7 -2.224 20.964 -3.572 1.00 0.00 C ATOM 100 CG PRO A 7 -2.099 21.505 -2.151 1.00 0.00 C ATOM 101 CD PRO A 7 -3.382 21.027 -1.476 1.00 0.00 C ATOM 0 HA PRO A 7 -3.572 19.386 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.247 20.818 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.780 21.648 -4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.213 21.116 -1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.020 22.592 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.217 20.823 -0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.164 21.784 -1.537 1.00 0.00 H new ATOM 109 N PRO A 8 -2.148 17.399 -3.997 1.00 0.00 N ATOM 110 CA PRO A 8 -1.257 16.253 -3.989 1.00 0.00 C ATOM 111 C PRO A 8 -0.081 16.504 -4.931 1.00 0.00 C ATOM 112 O PRO A 8 0.167 17.639 -5.337 1.00 0.00 O ATOM 113 CB PRO A 8 -2.137 15.118 -4.506 1.00 0.00 C ATOM 114 CG PRO A 8 -2.953 15.820 -5.588 1.00 0.00 C ATOM 115 CD PRO A 8 -3.209 17.194 -4.968 1.00 0.00 C ATOM 0 HA PRO A 8 -0.829 16.039 -3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.547 14.295 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.770 14.702 -3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.404 15.894 -6.527 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.882 15.292 -5.803 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.197 17.974 -5.729 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.188 17.230 -4.490 1.00 0.00 H new ATOM 123 N ASP A 9 0.645 15.439 -5.285 1.00 0.00 N ATOM 124 CA ASP A 9 1.776 15.502 -6.202 1.00 0.00 C ATOM 125 C ASP A 9 1.677 14.383 -7.243 1.00 0.00 C ATOM 126 O ASP A 9 2.686 13.949 -7.793 1.00 0.00 O ATOM 127 CB ASP A 9 3.088 15.437 -5.415 1.00 0.00 C ATOM 128 CG ASP A 9 3.250 16.638 -4.486 1.00 0.00 C ATOM 129 OD1 ASP A 9 3.674 17.702 -4.990 1.00 0.00 O ATOM 130 OD2 ASP A 9 2.950 16.486 -3.280 1.00 0.00 O ATOM 0 H ASP A 9 0.457 14.499 -4.936 1.00 0.00 H new ATOM 0 HA ASP A 9 1.757 16.450 -6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.116 14.518 -4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.927 15.398 -6.109 1.00 0.00 H new ATOM 135 N VAL A 10 0.451 13.914 -7.508 1.00 0.00 N ATOM 136 CA VAL A 10 0.180 12.841 -8.459 1.00 0.00 C ATOM 137 C VAL A 10 0.750 13.151 -9.843 1.00 0.00 C ATOM 138 O VAL A 10 0.870 12.256 -10.677 1.00 0.00 O ATOM 139 CB VAL A 10 -1.334 12.593 -8.566 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.942 12.247 -7.201 1.00 0.00 C ATOM 141 CG2 VAL A 10 -2.061 13.832 -9.098 1.00 0.00 C ATOM 0 H VAL A 10 -0.389 14.278 -7.059 1.00 0.00 H new ATOM 0 HA VAL A 10 0.672 11.943 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.461 11.757 -9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.013 12.078 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.471 11.345 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.775 13.072 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.130 13.627 -9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.893 14.671 -8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.679 14.081 -10.088 1.00 0.00 H new ATOM 151 N GLU A 11 1.097 14.420 -10.084 1.00 0.00 N ATOM 152 CA GLU A 11 1.666 14.883 -11.339 1.00 0.00 C ATOM 153 C GLU A 11 3.126 14.446 -11.510 1.00 0.00 C ATOM 154 O GLU A 11 3.719 14.697 -12.560 1.00 0.00 O ATOM 155 CB GLU A 11 1.560 16.411 -11.390 1.00 0.00 C ATOM 156 CG GLU A 11 2.360 17.073 -10.267 1.00 0.00 C ATOM 157 CD GLU A 11 2.234 18.593 -10.334 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.208 19.112 -9.838 1.00 0.00 O ATOM 159 OE2 GLU A 11 3.164 19.222 -10.882 1.00 0.00 O ATOM 0 H GLU A 11 0.985 15.163 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 11 1.105 14.434 -12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.922 16.769 -12.354 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.513 16.706 -11.313 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.003 16.716 -9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.409 16.787 -10.344 1.00 0.00 H new ATOM 166 N GLY A 12 3.714 13.796 -10.500 1.00 0.00 N ATOM 167 CA GLY A 12 5.115 13.413 -10.551 1.00 0.00 C ATOM 168 C GLY A 12 5.553 12.608 -9.330 1.00 0.00 C ATOM 169 O GLY A 12 6.649 12.830 -8.817 1.00 0.00 O ATOM 0 H GLY A 12 3.235 13.527 -9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.294 12.825 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.730 14.310 -10.629 1.00 0.00 H new ATOM 173 N MET A 13 4.714 11.678 -8.856 1.00 0.00 N ATOM 174 CA MET A 13 5.049 10.862 -7.692 1.00 0.00 C ATOM 175 C MET A 13 4.696 9.396 -7.932 1.00 0.00 C ATOM 176 O MET A 13 3.924 9.076 -8.836 1.00 0.00 O ATOM 177 CB MET A 13 4.346 11.421 -6.454 1.00 0.00 C ATOM 178 CG MET A 13 2.875 11.022 -6.420 1.00 0.00 C ATOM 179 SD MET A 13 1.907 11.923 -5.177 1.00 0.00 S ATOM 180 CE MET A 13 0.556 10.745 -4.949 1.00 0.00 C ATOM 0 H MET A 13 3.801 11.475 -9.263 1.00 0.00 H new ATOM 0 HA MET A 13 6.125 10.904 -7.523 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.844 11.056 -5.556 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.430 12.508 -6.446 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.438 11.194 -7.404 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.802 9.953 -6.221 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.344 11.278 -4.644 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.367 10.222 -5.886 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.829 10.023 -4.179 1.00 0.00 H new ATOM 190 N THR A 14 5.264 8.504 -7.118 1.00 0.00 N ATOM 191 CA THR A 14 5.016 7.069 -7.218 1.00 0.00 C ATOM 192 C THR A 14 3.647 6.740 -6.639 1.00 0.00 C ATOM 193 O THR A 14 3.546 6.333 -5.488 1.00 0.00 O ATOM 194 CB THR A 14 6.088 6.261 -6.501 1.00 0.00 C ATOM 195 OG1 THR A 14 7.347 6.589 -7.037 1.00 0.00 O ATOM 196 CG2 THR A 14 5.827 4.769 -6.726 1.00 0.00 C ATOM 0 H THR A 14 5.909 8.759 -6.371 1.00 0.00 H new ATOM 0 HA THR A 14 5.045 6.798 -8.273 1.00 0.00 H new ATOM 0 HB THR A 14 6.067 6.486 -5.435 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.729 7.341 -6.538 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.592 4.185 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.846 4.508 -6.330 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.857 4.551 -7.794 1.00 0.00 H new ATOM 203 N SER A 15 2.618 6.929 -7.461 1.00 0.00 N ATOM 204 CA SER A 15 1.213 6.691 -7.144 1.00 0.00 C ATOM 205 C SER A 15 0.963 5.205 -6.914 1.00 0.00 C ATOM 206 O SER A 15 0.273 4.555 -7.697 1.00 0.00 O ATOM 207 CB SER A 15 0.320 7.220 -8.273 1.00 0.00 C ATOM 208 OG SER A 15 0.362 8.634 -8.305 1.00 0.00 O ATOM 0 H SER A 15 2.748 7.269 -8.414 1.00 0.00 H new ATOM 0 HA SER A 15 0.966 7.225 -6.226 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.653 6.817 -9.229 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.706 6.882 -8.124 1.00 0.00 H new ATOM 0 HG SER A 15 0.227 8.945 -9.225 1.00 0.00 H new ATOM 214 N LEU A 16 1.528 4.660 -5.835 1.00 0.00 N ATOM 215 CA LEU A 16 1.410 3.236 -5.547 1.00 0.00 C ATOM 216 C LEU A 16 0.119 3.027 -4.774 1.00 0.00 C ATOM 217 O LEU A 16 -0.146 3.737 -3.806 1.00 0.00 O ATOM 218 CB LEU A 16 2.675 2.776 -4.819 1.00 0.00 C ATOM 219 CG LEU A 16 2.693 1.368 -4.216 1.00 0.00 C ATOM 220 CD1 LEU A 16 1.864 1.266 -2.934 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.255 0.316 -5.220 1.00 0.00 C ATOM 0 H LEU A 16 2.070 5.185 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 16 1.344 2.621 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.507 2.849 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.873 3.485 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 16 3.731 1.171 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.912 0.247 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.261 1.954 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.827 1.524 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.282 -0.668 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.240 0.531 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.928 0.328 -6.077 1.00 0.00 H new ATOM 233 N LYS A 17 -0.685 2.048 -5.202 1.00 0.00 N ATOM 234 CA LYS A 17 -2.040 1.896 -4.703 1.00 0.00 C ATOM 235 C LYS A 17 -2.346 0.491 -4.215 1.00 0.00 C ATOM 236 O LYS A 17 -1.741 -0.479 -4.670 1.00 0.00 O ATOM 237 CB LYS A 17 -3.025 2.371 -5.778 1.00 0.00 C ATOM 238 CG LYS A 17 -3.021 1.471 -7.020 1.00 0.00 C ATOM 239 CD LYS A 17 -4.072 0.368 -6.908 1.00 0.00 C ATOM 240 CE LYS A 17 -3.691 -0.822 -7.789 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.679 -1.909 -7.658 1.00 0.00 N ATOM 0 H LYS A 17 -0.412 1.351 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.149 2.522 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.030 2.399 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.773 3.390 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.215 2.072 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.034 1.025 -7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.162 0.046 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.046 0.753 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.629 -0.504 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.703 -1.187 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.192 -2.792 -7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.366 -1.666 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.177 -2.037 -8.562 1.00 0.00 H new ATOM 255 N VAL A 18 -3.299 0.398 -3.286 1.00 0.00 N ATOM 256 CA VAL A 18 -3.662 -0.885 -2.672 1.00 0.00 C ATOM 257 C VAL A 18 -5.164 -1.103 -2.669 1.00 0.00 C ATOM 258 O VAL A 18 -5.934 -0.147 -2.672 1.00 0.00 O ATOM 259 CB VAL A 18 -3.144 -0.967 -1.236 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.998 -0.108 -0.319 1.00 0.00 C ATOM 261 CG2 VAL A 18 -3.238 -2.400 -0.705 1.00 0.00 C ATOM 0 H VAL A 18 -3.835 1.194 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.197 -1.665 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.109 -0.626 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.618 -0.175 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.960 0.929 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.029 -0.461 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.864 -2.434 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.278 -2.727 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.639 -3.060 -1.332 1.00 0.00 H new ATOM 271 N ASP A 19 -5.547 -2.382 -2.654 1.00 0.00 N ATOM 272 CA ASP A 19 -6.927 -2.847 -2.652 1.00 0.00 C ATOM 273 C ASP A 19 -7.010 -4.222 -1.973 1.00 0.00 C ATOM 274 O ASP A 19 -6.010 -4.694 -1.426 1.00 0.00 O ATOM 275 CB ASP A 19 -7.416 -2.956 -4.098 1.00 0.00 C ATOM 276 CG ASP A 19 -7.306 -1.623 -4.828 1.00 0.00 C ATOM 277 OD1 ASP A 19 -8.200 -0.775 -4.615 1.00 0.00 O ATOM 278 OD2 ASP A 19 -6.325 -1.473 -5.593 1.00 0.00 O ATOM 0 H ASP A 19 -4.874 -3.148 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.552 -2.142 -2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.831 -3.710 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.453 -3.293 -4.108 1.00 0.00 H new ATOM 283 N ASN A 20 -8.193 -4.852 -2.015 1.00 0.00 N ATOM 284 CA ASN A 20 -8.421 -6.232 -1.574 1.00 0.00 C ATOM 285 C ASN A 20 -8.729 -6.330 -0.076 1.00 0.00 C ATOM 286 O ASN A 20 -8.390 -7.327 0.562 1.00 0.00 O ATOM 287 CB ASN A 20 -7.239 -7.106 -1.992 1.00 0.00 C ATOM 288 CG ASN A 20 -7.607 -8.561 -2.193 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.682 -8.882 -2.687 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.704 -9.456 -1.810 1.00 0.00 N ATOM 0 H ASN A 20 -9.038 -4.402 -2.366 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.316 -6.607 -2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.817 -6.715 -2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.460 -7.038 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.893 -10.452 -1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.821 -9.148 -1.403 1.00 0.00 H new ATOM 297 N LEU A 21 -9.367 -5.296 0.476 1.00 0.00 N ATOM 298 CA LEU A 21 -9.733 -5.212 1.880 1.00 0.00 C ATOM 299 C LEU A 21 -10.598 -6.409 2.242 1.00 0.00 C ATOM 300 O LEU A 21 -11.526 -6.756 1.515 1.00 0.00 O ATOM 301 CB LEU A 21 -10.517 -3.919 2.118 1.00 0.00 C ATOM 302 CG LEU A 21 -9.676 -2.640 2.135 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.191 -2.372 3.556 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.455 -2.675 1.217 1.00 0.00 C ATOM 0 H LEU A 21 -9.648 -4.475 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.836 -5.212 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.276 -3.825 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.043 -4.002 3.069 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.332 -1.851 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.592 -1.462 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.049 -2.252 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.585 -3.211 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.917 -1.730 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.798 -3.491 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.778 -2.829 0.187 1.00 0.00 H new ATOM 316 N THR A 22 -10.288 -7.036 3.373 1.00 0.00 N ATOM 317 CA THR A 22 -11.059 -8.153 3.883 1.00 0.00 C ATOM 318 C THR A 22 -12.296 -7.641 4.618 1.00 0.00 C ATOM 319 O THR A 22 -12.422 -6.443 4.878 1.00 0.00 O ATOM 320 CB THR A 22 -10.148 -8.996 4.783 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.945 -9.252 4.094 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.774 -10.343 5.139 1.00 0.00 C ATOM 0 H THR A 22 -9.493 -6.780 3.959 1.00 0.00 H new ATOM 0 HA THR A 22 -11.418 -8.784 3.070 1.00 0.00 H new ATOM 0 HB THR A 22 -9.983 -8.435 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.268 -9.573 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.092 -10.904 5.777 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.713 -10.179 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.964 -10.908 4.227 1.00 0.00 H new ATOM 329 N TYR A 23 -13.224 -8.545 4.951 1.00 0.00 N ATOM 330 CA TYR A 23 -14.496 -8.222 5.587 1.00 0.00 C ATOM 331 C TYR A 23 -14.362 -7.584 6.975 1.00 0.00 C ATOM 332 O TYR A 23 -15.378 -7.290 7.610 1.00 0.00 O ATOM 333 CB TYR A 23 -15.332 -9.501 5.681 1.00 0.00 C ATOM 334 CG TYR A 23 -14.752 -10.545 6.606 1.00 0.00 C ATOM 335 CD1 TYR A 23 -13.847 -11.497 6.113 1.00 0.00 C ATOM 336 CD2 TYR A 23 -15.115 -10.559 7.962 1.00 0.00 C ATOM 337 CE1 TYR A 23 -13.303 -12.460 6.978 1.00 0.00 C ATOM 338 CE2 TYR A 23 -14.575 -11.515 8.830 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.664 -12.472 8.340 1.00 0.00 C ATOM 340 OH TYR A 23 -13.135 -13.410 9.177 1.00 0.00 O ATOM 0 H TYR A 23 -13.104 -9.543 4.780 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.981 -7.470 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.335 -9.244 6.023 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.435 -9.930 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.569 -11.489 5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -15.815 -9.828 8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.606 -13.193 6.599 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -14.856 -11.519 9.873 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.487 -13.277 10.082 1.00 0.00 H new ATOM 350 N ARG A 24 -13.137 -7.361 7.461 1.00 0.00 N ATOM 351 CA ARG A 24 -12.895 -6.828 8.798 1.00 0.00 C ATOM 352 C ARG A 24 -12.013 -5.581 8.766 1.00 0.00 C ATOM 353 O ARG A 24 -11.520 -5.151 9.809 1.00 0.00 O ATOM 354 CB ARG A 24 -12.267 -7.929 9.657 1.00 0.00 C ATOM 355 CG ARG A 24 -10.804 -8.143 9.270 1.00 0.00 C ATOM 356 CD ARG A 24 -10.267 -9.399 9.952 1.00 0.00 C ATOM 357 NE ARG A 24 -8.798 -9.431 9.930 1.00 0.00 N ATOM 358 CZ ARG A 24 -8.056 -9.719 8.855 1.00 0.00 C ATOM 359 NH1 ARG A 24 -8.627 -10.058 7.704 1.00 0.00 N ATOM 360 NH2 ARG A 24 -6.732 -9.668 8.925 1.00 0.00 N ATOM 0 H ARG A 24 -12.284 -7.547 6.933 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.845 -6.518 9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.334 -7.659 10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.822 -8.858 9.530 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.715 -8.239 8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.210 -7.277 9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.618 -9.434 10.983 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.660 -10.284 9.451 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.308 -9.218 10.799 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.644 -10.101 7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.049 -10.275 6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.277 -9.409 9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.169 -9.888 8.103 1.00 0.00 H new ATOM 374 N THR A 25 -11.805 -5.000 7.581 1.00 0.00 N ATOM 375 CA THR A 25 -10.882 -3.889 7.411 1.00 0.00 C ATOM 376 C THR A 25 -11.623 -2.622 6.972 1.00 0.00 C ATOM 377 O THR A 25 -12.777 -2.686 6.551 1.00 0.00 O ATOM 378 CB THR A 25 -9.780 -4.293 6.418 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.402 -5.636 6.649 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.533 -3.431 6.606 1.00 0.00 C ATOM 0 H THR A 25 -12.272 -5.289 6.721 1.00 0.00 H new ATOM 0 HA THR A 25 -10.412 -3.655 8.366 1.00 0.00 H new ATOM 0 HB THR A 25 -10.176 -4.161 5.411 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.701 -5.892 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.768 -3.737 5.892 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.786 -2.384 6.441 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.153 -3.557 7.620 1.00 0.00 H new ATOM 387 N SER A 26 -10.950 -1.472 7.076 1.00 0.00 N ATOM 388 CA SER A 26 -11.517 -0.161 6.785 1.00 0.00 C ATOM 389 C SER A 26 -10.406 0.769 6.288 1.00 0.00 C ATOM 390 O SER A 26 -9.230 0.445 6.453 1.00 0.00 O ATOM 391 CB SER A 26 -12.128 0.383 8.082 1.00 0.00 C ATOM 392 OG SER A 26 -11.108 0.619 9.033 1.00 0.00 O ATOM 0 H SER A 26 -9.975 -1.431 7.372 1.00 0.00 H new ATOM 0 HA SER A 26 -12.284 -0.228 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.669 1.307 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.851 -0.329 8.480 1.00 0.00 H new ATOM 0 HG SER A 26 -11.505 0.968 9.858 1.00 0.00 H new ATOM 398 N PRO A 27 -10.741 1.917 5.683 1.00 0.00 N ATOM 399 CA PRO A 27 -9.743 2.822 5.127 1.00 0.00 C ATOM 400 C PRO A 27 -8.938 3.516 6.226 1.00 0.00 C ATOM 401 O PRO A 27 -7.799 3.915 5.993 1.00 0.00 O ATOM 402 CB PRO A 27 -10.534 3.833 4.294 1.00 0.00 C ATOM 403 CG PRO A 27 -11.903 3.857 4.972 1.00 0.00 C ATOM 404 CD PRO A 27 -12.084 2.424 5.466 1.00 0.00 C ATOM 0 HA PRO A 27 -9.010 2.286 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.064 4.816 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.607 3.524 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.930 4.571 5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.691 4.143 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.667 2.397 6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.618 1.820 4.732 1.00 0.00 H new ATOM 412 N ASP A 28 -9.509 3.667 7.429 1.00 0.00 N ATOM 413 CA ASP A 28 -8.776 4.258 8.540 1.00 0.00 C ATOM 414 C ASP A 28 -7.696 3.295 9.022 1.00 0.00 C ATOM 415 O ASP A 28 -6.637 3.723 9.475 1.00 0.00 O ATOM 416 CB ASP A 28 -9.721 4.559 9.699 1.00 0.00 C ATOM 417 CG ASP A 28 -9.015 5.343 10.801 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.688 6.524 10.546 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.811 4.759 11.890 1.00 0.00 O ATOM 0 H ASP A 28 -10.465 3.389 7.649 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.318 5.185 8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.576 5.129 9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.110 3.625 10.106 1.00 0.00 H new ATOM 424 N THR A 29 -7.961 1.987 8.924 1.00 0.00 N ATOM 425 CA THR A 29 -6.963 0.996 9.284 1.00 0.00 C ATOM 426 C THR A 29 -5.946 0.891 8.159 1.00 0.00 C ATOM 427 O THR A 29 -4.745 0.860 8.409 1.00 0.00 O ATOM 428 CB THR A 29 -7.626 -0.357 9.531 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.558 -0.255 10.585 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.556 -1.379 9.909 1.00 0.00 C ATOM 0 H THR A 29 -8.849 1.602 8.602 1.00 0.00 H new ATOM 0 HA THR A 29 -6.460 1.299 10.202 1.00 0.00 H new ATOM 0 HB THR A 29 -8.142 -0.672 8.624 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.427 0.022 10.227 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.024 -2.347 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.835 -1.468 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.044 -1.052 10.814 1.00 0.00 H new ATOM 437 N LEU A 30 -6.401 0.837 6.908 1.00 0.00 N ATOM 438 CA LEU A 30 -5.493 0.747 5.778 1.00 0.00 C ATOM 439 C LEU A 30 -4.506 1.917 5.789 1.00 0.00 C ATOM 440 O LEU A 30 -3.428 1.831 5.202 1.00 0.00 O ATOM 441 CB LEU A 30 -6.312 0.709 4.480 1.00 0.00 C ATOM 442 CG LEU A 30 -5.987 -0.480 3.568 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.619 -0.291 2.933 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.005 -1.809 4.321 1.00 0.00 C ATOM 0 H LEU A 30 -7.390 0.854 6.657 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.906 -0.169 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.372 0.680 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.141 1.633 3.928 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.761 -0.514 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.397 -1.141 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.616 0.625 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.862 -0.222 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.769 -2.620 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.264 -1.784 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.995 -1.972 4.748 1.00 0.00 H new ATOM 456 N ARG A 31 -4.869 3.017 6.460 1.00 0.00 N ATOM 457 CA ARG A 31 -4.011 4.184 6.558 1.00 0.00 C ATOM 458 C ARG A 31 -2.936 3.939 7.598 1.00 0.00 C ATOM 459 O ARG A 31 -1.754 4.010 7.280 1.00 0.00 O ATOM 460 CB ARG A 31 -4.851 5.398 6.954 1.00 0.00 C ATOM 461 CG ARG A 31 -3.991 6.634 7.252 1.00 0.00 C ATOM 462 CD ARG A 31 -3.065 7.008 6.094 1.00 0.00 C ATOM 463 NE ARG A 31 -2.194 8.124 6.466 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.025 9.246 5.763 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.698 9.468 4.636 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.166 10.160 6.199 1.00 0.00 N ATOM 0 H ARG A 31 -5.761 3.114 6.944 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.537 4.372 5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.550 5.630 6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.447 5.153 7.833 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.643 7.478 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.392 6.447 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.460 6.146 5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.658 7.279 5.221 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.671 8.037 7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.360 8.773 4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.551 10.333 4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.645 10.000 7.061 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.027 11.022 5.672 1.00 0.00 H new ATOM 480 N ARG A 32 -3.331 3.648 8.842 1.00 0.00 N ATOM 481 CA ARG A 32 -2.365 3.460 9.917 1.00 0.00 C ATOM 482 C ARG A 32 -1.433 2.290 9.602 1.00 0.00 C ATOM 483 O ARG A 32 -0.277 2.289 10.020 1.00 0.00 O ATOM 484 CB ARG A 32 -3.103 3.228 11.237 1.00 0.00 C ATOM 485 CG ARG A 32 -3.440 1.745 11.385 1.00 0.00 C ATOM 486 CD ARG A 32 -4.282 1.468 12.612 1.00 0.00 C ATOM 487 NE ARG A 32 -3.560 1.771 13.850 1.00 0.00 N ATOM 488 CZ ARG A 32 -4.103 1.696 15.070 1.00 0.00 C ATOM 489 NH1 ARG A 32 -5.370 1.325 15.233 1.00 0.00 N ATOM 490 NH2 ARG A 32 -3.375 1.997 16.141 1.00 0.00 N ATOM 0 H ARG A 32 -4.306 3.539 9.123 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.755 4.358 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.485 3.555 12.073 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.016 3.823 11.264 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.973 1.405 10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.517 1.169 11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.194 2.064 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.585 0.421 12.615 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.584 2.057 13.777 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.942 1.093 14.421 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.770 1.273 16.170 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.403 2.285 16.032 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.789 1.940 17.071 1.00 0.00 H new ATOM 504 N VAL A 33 -1.951 1.302 8.868 1.00 0.00 N ATOM 505 CA VAL A 33 -1.233 0.069 8.602 1.00 0.00 C ATOM 506 C VAL A 33 -0.169 0.282 7.531 1.00 0.00 C ATOM 507 O VAL A 33 0.891 -0.340 7.590 1.00 0.00 O ATOM 508 CB VAL A 33 -2.225 -1.005 8.157 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.510 -2.253 7.650 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.093 -1.414 9.347 1.00 0.00 C ATOM 0 H VAL A 33 -2.879 1.341 8.445 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.731 -0.253 9.514 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.827 -0.586 7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.247 -2.995 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.881 -1.992 6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.890 -2.666 8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.802 -2.180 9.034 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.459 -1.809 10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.637 -0.545 9.716 1.00 0.00 H new ATOM 520 N PHE A 34 -0.438 1.152 6.553 1.00 0.00 N ATOM 521 CA PHE A 34 0.511 1.439 5.483 1.00 0.00 C ATOM 522 C PHE A 34 1.302 2.720 5.731 1.00 0.00 C ATOM 523 O PHE A 34 2.297 2.966 5.058 1.00 0.00 O ATOM 524 CB PHE A 34 -0.263 1.520 4.169 1.00 0.00 C ATOM 525 CG PHE A 34 -0.450 0.189 3.477 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.474 -0.673 3.886 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.394 -0.184 2.417 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.674 -1.893 3.220 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.195 -1.401 1.750 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.844 -2.252 2.150 1.00 0.00 C ATOM 0 H PHE A 34 -1.313 1.671 6.484 1.00 0.00 H new ATOM 0 HA PHE A 34 1.248 0.637 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.243 1.956 4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.259 2.198 3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.111 -0.400 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.199 0.469 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.468 -2.555 3.533 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.840 -1.682 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.005 -3.186 1.633 1.00 0.00 H new ATOM 540 N GLU A 35 0.879 3.545 6.694 1.00 0.00 N ATOM 541 CA GLU A 35 1.571 4.786 7.005 1.00 0.00 C ATOM 542 C GLU A 35 2.920 4.507 7.670 1.00 0.00 C ATOM 543 O GLU A 35 3.832 5.324 7.582 1.00 0.00 O ATOM 544 CB GLU A 35 0.676 5.624 7.921 1.00 0.00 C ATOM 545 CG GLU A 35 1.355 6.916 8.380 1.00 0.00 C ATOM 546 CD GLU A 35 0.372 7.804 9.132 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.276 7.639 10.368 1.00 0.00 O ATOM 548 OE2 GLU A 35 -0.275 8.643 8.465 1.00 0.00 O ATOM 0 H GLU A 35 0.056 3.369 7.270 1.00 0.00 H new ATOM 0 HA GLU A 35 1.772 5.334 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.247 5.869 7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.399 5.033 8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.203 6.678 9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.750 7.452 7.517 1.00 0.00 H new ATOM 555 N LYS A 36 3.064 3.357 8.336 1.00 0.00 N ATOM 556 CA LYS A 36 4.292 3.031 9.048 1.00 0.00 C ATOM 557 C LYS A 36 5.456 2.763 8.099 1.00 0.00 C ATOM 558 O LYS A 36 6.612 2.894 8.489 1.00 0.00 O ATOM 559 CB LYS A 36 4.067 1.829 9.971 1.00 0.00 C ATOM 560 CG LYS A 36 3.748 0.549 9.198 1.00 0.00 C ATOM 561 CD LYS A 36 3.495 -0.587 10.185 1.00 0.00 C ATOM 562 CE LYS A 36 3.177 -1.878 9.425 1.00 0.00 C ATOM 563 NZ LYS A 36 2.921 -2.993 10.358 1.00 0.00 N ATOM 0 H LYS A 36 2.342 2.639 8.394 1.00 0.00 H new ATOM 0 HA LYS A 36 4.560 3.900 9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.958 1.670 10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.248 2.049 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.872 0.700 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.576 0.294 8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.371 -0.733 10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.666 -0.329 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.305 -1.724 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.009 -2.132 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.708 -3.856 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.763 -3.153 10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.112 -2.757 10.967 1.00 0.00 H new ATOM 577 N TYR A 37 5.155 2.387 6.853 1.00 0.00 N ATOM 578 CA TYR A 37 6.174 2.152 5.840 1.00 0.00 C ATOM 579 C TYR A 37 6.763 3.461 5.319 1.00 0.00 C ATOM 580 O TYR A 37 7.828 3.454 4.711 1.00 0.00 O ATOM 581 CB TYR A 37 5.570 1.362 4.683 1.00 0.00 C ATOM 582 CG TYR A 37 5.159 -0.039 5.072 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.929 -0.259 5.703 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.012 -1.120 4.805 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.547 -1.550 6.081 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.638 -2.419 5.175 1.00 0.00 C ATOM 587 CZ TYR A 37 4.404 -2.640 5.824 1.00 0.00 C ATOM 588 OH TYR A 37 4.053 -3.903 6.190 1.00 0.00 O ATOM 0 H TYR A 37 4.201 2.239 6.524 1.00 0.00 H new ATOM 0 HA TYR A 37 6.982 1.582 6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.700 1.896 4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.294 1.309 3.870 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.270 0.574 5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.959 -0.951 4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.597 -1.712 6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.294 -3.251 4.964 1.00 0.00 H new ATOM 0 HH TYR A 37 4.763 -4.527 5.933 1.00 0.00 H new ATOM 598 N GLY A 38 6.080 4.583 5.557 1.00 0.00 N ATOM 599 CA GLY A 38 6.602 5.889 5.186 1.00 0.00 C ATOM 600 C GLY A 38 5.523 6.963 5.257 1.00 0.00 C ATOM 601 O GLY A 38 5.390 7.640 6.278 1.00 0.00 O ATOM 0 H GLY A 38 5.164 4.608 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.425 6.155 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.008 5.846 4.175 1.00 0.00 H new ATOM 605 N ARG A 39 4.756 7.114 4.174 1.00 0.00 N ATOM 606 CA ARG A 39 3.660 8.066 4.107 1.00 0.00 C ATOM 607 C ARG A 39 2.698 7.706 2.990 1.00 0.00 C ATOM 608 O ARG A 39 3.035 6.941 2.090 1.00 0.00 O ATOM 609 CB ARG A 39 4.208 9.483 3.916 1.00 0.00 C ATOM 610 CG ARG A 39 5.197 9.581 2.755 1.00 0.00 C ATOM 611 CD ARG A 39 5.565 11.044 2.509 1.00 0.00 C ATOM 612 NE ARG A 39 6.332 11.593 3.637 1.00 0.00 N ATOM 613 CZ ARG A 39 7.664 11.528 3.739 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.396 10.952 2.791 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.269 12.044 4.806 1.00 0.00 N ATOM 0 H ARG A 39 4.884 6.574 3.318 1.00 0.00 H new ATOM 0 HA ARG A 39 3.109 8.028 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.379 10.168 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.699 9.805 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.094 9.004 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.759 9.151 1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.150 11.126 1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.658 11.631 2.362 1.00 0.00 H new ATOM 0 HE ARG A 39 5.816 12.052 4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.943 10.551 1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.411 10.911 2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.717 12.486 5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.285 11.997 4.889 1.00 0.00 H new ATOM 629 N VAL A 40 1.493 8.273 3.060 1.00 0.00 N ATOM 630 CA VAL A 40 0.420 8.007 2.115 1.00 0.00 C ATOM 631 C VAL A 40 -0.242 9.337 1.779 1.00 0.00 C ATOM 632 O VAL A 40 -0.465 10.159 2.670 1.00 0.00 O ATOM 633 CB VAL A 40 -0.588 7.033 2.748 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.649 6.624 1.724 1.00 0.00 C ATOM 635 CG2 VAL A 40 0.097 5.764 3.252 1.00 0.00 C ATOM 0 H VAL A 40 1.236 8.940 3.788 1.00 0.00 H new ATOM 0 HA VAL A 40 0.802 7.548 1.203 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.047 7.553 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.355 5.935 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.181 7.510 1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.168 6.136 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.646 5.100 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.586 5.259 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.841 6.026 4.005 1.00 0.00 H new ATOM 645 N GLY A 41 -0.558 9.559 0.501 1.00 0.00 N ATOM 646 CA GLY A 41 -1.129 10.818 0.054 1.00 0.00 C ATOM 647 C GLY A 41 -2.640 10.818 0.196 1.00 0.00 C ATOM 648 O GLY A 41 -3.221 11.848 0.530 1.00 0.00 O ATOM 0 H GLY A 41 -0.424 8.874 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.707 11.638 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.859 10.993 -0.987 1.00 0.00 H new ATOM 652 N ASP A 42 -3.280 9.669 -0.045 1.00 0.00 N ATOM 653 CA ASP A 42 -4.708 9.544 0.179 1.00 0.00 C ATOM 654 C ASP A 42 -5.134 8.081 0.216 1.00 0.00 C ATOM 655 O ASP A 42 -4.437 7.201 -0.289 1.00 0.00 O ATOM 656 CB ASP A 42 -5.507 10.350 -0.853 1.00 0.00 C ATOM 657 CG ASP A 42 -5.123 10.105 -2.311 1.00 0.00 C ATOM 658 OD1 ASP A 42 -4.128 10.719 -2.753 1.00 0.00 O ATOM 659 OD2 ASP A 42 -5.825 9.316 -2.975 1.00 0.00 O ATOM 0 H ASP A 42 -2.828 8.823 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.932 9.968 1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.565 10.120 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.384 11.411 -0.635 1.00 0.00 H new ATOM 664 N VAL A 43 -6.292 7.844 0.828 1.00 0.00 N ATOM 665 CA VAL A 43 -6.862 6.522 1.038 1.00 0.00 C ATOM 666 C VAL A 43 -8.361 6.675 1.248 1.00 0.00 C ATOM 667 O VAL A 43 -8.790 7.317 2.207 1.00 0.00 O ATOM 668 CB VAL A 43 -6.186 5.849 2.243 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.778 6.827 3.342 1.00 0.00 C ATOM 670 CG2 VAL A 43 -7.076 4.775 2.868 1.00 0.00 C ATOM 0 H VAL A 43 -6.875 8.593 1.202 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.691 5.885 0.170 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.283 5.399 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.308 6.280 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.073 7.554 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.662 7.346 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.561 4.324 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.008 5.227 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.295 4.007 2.126 1.00 0.00 H new ATOM 680 N TYR A 44 -9.160 6.085 0.355 1.00 0.00 N ATOM 681 CA TYR A 44 -10.605 6.124 0.486 1.00 0.00 C ATOM 682 C TYR A 44 -11.291 4.964 -0.240 1.00 0.00 C ATOM 683 O TYR A 44 -10.644 4.145 -0.896 1.00 0.00 O ATOM 684 CB TYR A 44 -11.149 7.500 0.088 1.00 0.00 C ATOM 685 CG TYR A 44 -10.981 7.975 -1.340 1.00 0.00 C ATOM 686 CD1 TYR A 44 -10.360 7.190 -2.325 1.00 0.00 C ATOM 687 CD2 TYR A 44 -11.471 9.246 -1.675 1.00 0.00 C ATOM 688 CE1 TYR A 44 -10.276 7.648 -3.639 1.00 0.00 C ATOM 689 CE2 TYR A 44 -11.374 9.714 -2.987 1.00 0.00 C ATOM 690 CZ TYR A 44 -10.794 8.913 -3.986 1.00 0.00 C ATOM 691 OH TYR A 44 -10.739 9.361 -5.271 1.00 0.00 O ATOM 0 H TYR A 44 -8.824 5.577 -0.463 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.851 5.979 1.538 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -12.215 7.509 0.314 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.679 8.239 0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.946 6.227 -2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -11.925 9.865 -0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.812 7.031 -4.395 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.747 10.697 -3.236 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.373 10.270 -5.285 1.00 0.00 H new ATOM 701 N ILE A 45 -12.619 4.907 -0.105 1.00 0.00 N ATOM 702 CA ILE A 45 -13.442 3.814 -0.601 1.00 0.00 C ATOM 703 C ILE A 45 -14.595 4.401 -1.409 1.00 0.00 C ATOM 704 O ILE A 45 -15.649 4.722 -0.860 1.00 0.00 O ATOM 705 CB ILE A 45 -13.937 2.967 0.583 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.725 2.370 1.304 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.867 1.838 0.128 1.00 0.00 C ATOM 708 CD1 ILE A 45 -13.112 1.322 2.349 1.00 0.00 C ATOM 0 H ILE A 45 -13.157 5.637 0.362 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.867 3.157 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.505 3.613 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.059 1.916 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.166 3.170 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.194 1.264 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.736 2.263 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.334 1.183 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.212 0.935 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.754 1.779 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.646 0.505 1.864 1.00 0.00 H new ATOM 720 N PRO A 46 -14.394 4.546 -2.725 1.00 0.00 N ATOM 721 CA PRO A 46 -15.306 5.221 -3.637 1.00 0.00 C ATOM 722 C PRO A 46 -16.498 4.361 -4.065 1.00 0.00 C ATOM 723 O PRO A 46 -17.237 4.772 -4.960 1.00 0.00 O ATOM 724 CB PRO A 46 -14.437 5.554 -4.848 1.00 0.00 C ATOM 725 CG PRO A 46 -13.465 4.375 -4.902 1.00 0.00 C ATOM 726 CD PRO A 46 -13.210 4.082 -3.429 1.00 0.00 C ATOM 0 HA PRO A 46 -15.755 6.090 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.028 5.633 -5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.915 6.503 -4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.898 3.517 -5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.546 4.632 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.049 3.017 -3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.317 4.598 -3.076 1.00 0.00 H new ATOM 734 N ARG A 47 -16.700 3.188 -3.461 1.00 0.00 N ATOM 735 CA ARG A 47 -17.790 2.297 -3.848 1.00 0.00 C ATOM 736 C ARG A 47 -19.115 3.061 -3.833 1.00 0.00 C ATOM 737 O ARG A 47 -19.924 2.919 -4.746 1.00 0.00 O ATOM 738 CB ARG A 47 -17.786 1.081 -2.911 1.00 0.00 C ATOM 739 CG ARG A 47 -18.436 -0.172 -3.510 1.00 0.00 C ATOM 740 CD ARG A 47 -19.953 -0.046 -3.641 1.00 0.00 C ATOM 741 NE ARG A 47 -20.559 -1.314 -4.056 1.00 0.00 N ATOM 742 CZ ARG A 47 -21.872 -1.563 -4.001 1.00 0.00 C ATOM 743 NH1 ARG A 47 -22.717 -0.638 -3.556 1.00 0.00 N ATOM 744 NH2 ARG A 47 -22.347 -2.743 -4.388 1.00 0.00 N ATOM 0 H ARG A 47 -16.120 2.835 -2.700 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.655 1.932 -4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -16.756 0.849 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.307 1.343 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.006 -0.365 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.200 -1.033 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.378 0.267 -2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.194 0.730 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.944 -2.049 -4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.366 0.270 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.717 -0.837 -3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.709 -3.463 -4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.349 -2.929 -4.344 1.00 0.00 H new ATOM 758 N ASP A 48 -19.329 3.879 -2.796 1.00 0.00 N ATOM 759 CA ASP A 48 -20.439 4.815 -2.713 1.00 0.00 C ATOM 760 C ASP A 48 -19.969 6.009 -1.890 1.00 0.00 C ATOM 761 O ASP A 48 -19.644 5.873 -0.710 1.00 0.00 O ATOM 762 CB ASP A 48 -21.664 4.169 -2.065 1.00 0.00 C ATOM 763 CG ASP A 48 -22.271 3.061 -2.921 1.00 0.00 C ATOM 764 OD1 ASP A 48 -22.863 3.398 -3.971 1.00 0.00 O ATOM 765 OD2 ASP A 48 -22.141 1.884 -2.514 1.00 0.00 O ATOM 0 H ASP A 48 -18.719 3.904 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.737 5.127 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.383 3.759 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.418 4.934 -1.881 1.00 0.00 H new ATOM 770 N ARG A 49 -19.931 7.183 -2.527 1.00 0.00 N ATOM 771 CA ARG A 49 -19.300 8.387 -1.991 1.00 0.00 C ATOM 772 C ARG A 49 -20.038 9.038 -0.821 1.00 0.00 C ATOM 773 O ARG A 49 -19.722 10.163 -0.446 1.00 0.00 O ATOM 774 CB ARG A 49 -19.070 9.349 -3.163 1.00 0.00 C ATOM 775 CG ARG A 49 -20.304 10.118 -3.639 1.00 0.00 C ATOM 776 CD ARG A 49 -19.938 10.977 -4.860 1.00 0.00 C ATOM 777 NE ARG A 49 -18.813 11.887 -4.588 1.00 0.00 N ATOM 778 CZ ARG A 49 -18.836 12.914 -3.730 1.00 0.00 C ATOM 779 NH1 ARG A 49 -19.932 13.210 -3.033 1.00 0.00 N ATOM 780 NH2 ARG A 49 -17.747 13.654 -3.572 1.00 0.00 N ATOM 0 H ARG A 49 -20.347 7.323 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.351 8.103 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -18.305 10.069 -2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.672 8.781 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.101 9.421 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -20.682 10.751 -2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.681 10.326 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.807 11.559 -5.165 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.944 11.721 -5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -20.776 12.649 -3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.927 13.997 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.903 13.438 -4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.754 14.439 -2.921 1.00 0.00 H new ATOM 794 N TYR A 50 -21.015 8.341 -0.244 1.00 0.00 N ATOM 795 CA TYR A 50 -21.855 8.854 0.837 1.00 0.00 C ATOM 796 C TYR A 50 -22.251 7.741 1.811 1.00 0.00 C ATOM 797 O TYR A 50 -23.000 8.001 2.752 1.00 0.00 O ATOM 798 CB TYR A 50 -23.094 9.493 0.213 1.00 0.00 C ATOM 799 CG TYR A 50 -23.676 8.579 -0.827 1.00 0.00 C ATOM 800 CD1 TYR A 50 -23.165 8.632 -2.129 1.00 0.00 C ATOM 801 CD2 TYR A 50 -24.671 7.657 -0.493 1.00 0.00 C ATOM 802 CE1 TYR A 50 -23.597 7.717 -3.093 1.00 0.00 C ATOM 803 CE2 TYR A 50 -25.123 6.743 -1.458 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.593 6.775 -2.766 1.00 0.00 C ATOM 805 OH TYR A 50 -25.035 5.895 -3.708 1.00 0.00 O ATOM 0 H TYR A 50 -21.249 7.387 -0.519 1.00 0.00 H new ATOM 0 HA TYR A 50 -21.299 9.595 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -23.836 9.697 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -22.831 10.450 -0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -22.434 9.383 -2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -25.090 7.647 0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -23.169 7.732 -4.085 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -25.877 6.014 -1.199 1.00 0.00 H new ATOM 0 HH TYR A 50 -24.405 5.148 -3.779 1.00 0.00 H new ATOM 815 N THR A 51 -21.763 6.510 1.607 1.00 0.00 N ATOM 816 CA THR A 51 -21.980 5.429 2.563 1.00 0.00 C ATOM 817 C THR A 51 -20.645 4.764 2.904 1.00 0.00 C ATOM 818 O THR A 51 -20.438 4.356 4.044 1.00 0.00 O ATOM 819 CB THR A 51 -22.954 4.369 2.042 1.00 0.00 C ATOM 820 OG1 THR A 51 -22.322 3.565 1.072 1.00 0.00 O ATOM 821 CG2 THR A 51 -24.195 4.998 1.415 1.00 0.00 C ATOM 0 H THR A 51 -21.217 6.244 0.788 1.00 0.00 H new ATOM 0 HA THR A 51 -22.424 5.874 3.453 1.00 0.00 H new ATOM 0 HB THR A 51 -23.260 3.767 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.952 2.889 0.746 1.00 0.00 H new ATOM 0 HG21 THR A 51 -24.860 4.212 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 51 -24.713 5.601 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 51 -23.899 5.631 0.578 1.00 0.00 H new ATOM 828 N LYS A 52 -19.752 4.662 1.905 1.00 0.00 N ATOM 829 CA LYS A 52 -18.426 4.051 1.978 1.00 0.00 C ATOM 830 C LYS A 52 -18.363 2.860 2.935 1.00 0.00 C ATOM 831 O LYS A 52 -17.396 2.712 3.681 1.00 0.00 O ATOM 832 CB LYS A 52 -17.343 5.104 2.265 1.00 0.00 C ATOM 833 CG LYS A 52 -17.528 5.851 3.596 1.00 0.00 C ATOM 834 CD LYS A 52 -18.296 7.167 3.435 1.00 0.00 C ATOM 835 CE LYS A 52 -17.462 8.175 2.644 1.00 0.00 C ATOM 836 NZ LYS A 52 -18.130 9.490 2.568 1.00 0.00 N ATOM 0 H LYS A 52 -19.954 5.027 0.974 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.217 3.633 0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.369 4.615 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.333 5.830 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.060 5.208 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.550 6.057 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -19.240 6.984 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.539 7.576 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.485 8.289 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.289 7.795 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.537 10.150 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.051 9.385 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.272 9.863 3.528 1.00 0.00 H new ATOM 850 N GLU A 53 -19.394 2.009 2.919 1.00 0.00 N ATOM 851 CA GLU A 53 -19.482 0.891 3.852 1.00 0.00 C ATOM 852 C GLU A 53 -19.762 -0.439 3.155 1.00 0.00 C ATOM 853 O GLU A 53 -19.885 -1.461 3.830 1.00 0.00 O ATOM 854 CB GLU A 53 -20.529 1.188 4.929 1.00 0.00 C ATOM 855 CG GLU A 53 -21.937 1.264 4.337 1.00 0.00 C ATOM 856 CD GLU A 53 -22.966 1.594 5.416 1.00 0.00 C ATOM 857 OE1 GLU A 53 -23.350 0.662 6.155 1.00 0.00 O ATOM 858 OE2 GLU A 53 -23.361 2.780 5.491 1.00 0.00 O ATOM 0 H GLU A 53 -20.177 2.077 2.269 1.00 0.00 H new ATOM 0 HA GLU A 53 -18.507 0.783 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.496 0.412 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -20.289 2.130 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.967 2.024 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.190 0.314 3.867 1.00 0.00 H new ATOM 865 N SER A 54 -19.865 -0.450 1.824 1.00 0.00 N ATOM 866 CA SER A 54 -20.037 -1.697 1.088 1.00 0.00 C ATOM 867 C SER A 54 -18.800 -2.571 1.276 1.00 0.00 C ATOM 868 O SER A 54 -18.909 -3.773 1.508 1.00 0.00 O ATOM 869 CB SER A 54 -20.187 -1.394 -0.400 1.00 0.00 C ATOM 870 OG SER A 54 -20.598 -2.558 -1.087 1.00 0.00 O ATOM 0 H SER A 54 -19.832 0.386 1.241 1.00 0.00 H new ATOM 0 HA SER A 54 -20.924 -2.211 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.917 -0.598 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.240 -1.037 -0.805 1.00 0.00 H new ATOM 0 HG SER A 54 -20.017 -2.702 -1.863 1.00 0.00 H new ATOM 876 N ARG A 55 -17.635 -1.925 1.173 1.00 0.00 N ATOM 877 CA ARG A 55 -16.310 -2.507 1.315 1.00 0.00 C ATOM 878 C ARG A 55 -16.027 -3.626 0.323 1.00 0.00 C ATOM 879 O ARG A 55 -16.914 -4.273 -0.233 1.00 0.00 O ATOM 880 CB ARG A 55 -16.077 -2.954 2.762 1.00 0.00 C ATOM 881 CG ARG A 55 -16.180 -1.770 3.727 1.00 0.00 C ATOM 882 CD ARG A 55 -15.833 -2.211 5.147 1.00 0.00 C ATOM 883 NE ARG A 55 -16.757 -3.243 5.628 1.00 0.00 N ATOM 884 CZ ARG A 55 -16.418 -4.212 6.484 1.00 0.00 C ATOM 885 NH1 ARG A 55 -15.192 -4.281 6.993 1.00 0.00 N ATOM 886 NH2 ARG A 55 -17.314 -5.129 6.836 1.00 0.00 N ATOM 0 H ARG A 55 -17.596 -0.925 0.977 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.593 -1.723 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.810 -3.714 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.093 -3.414 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.505 -0.975 3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -17.189 -1.359 3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.813 -2.594 5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.867 -1.350 5.815 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.718 -3.220 5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.492 -3.587 6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.952 -5.028 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.259 -5.092 6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.057 -5.869 7.489 1.00 0.00 H new ATOM 900 N GLY A 56 -14.731 -3.830 0.120 1.00 0.00 N ATOM 901 CA GLY A 56 -14.156 -4.850 -0.745 1.00 0.00 C ATOM 902 C GLY A 56 -12.766 -4.408 -1.192 1.00 0.00 C ATOM 903 O GLY A 56 -11.938 -5.226 -1.585 1.00 0.00 O ATOM 0 H GLY A 56 -14.019 -3.260 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.095 -5.800 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.796 -5.010 -1.613 1.00 0.00 H new ATOM 907 N PHE A 57 -12.522 -3.097 -1.125 1.00 0.00 N ATOM 908 CA PHE A 57 -11.248 -2.489 -1.466 1.00 0.00 C ATOM 909 C PHE A 57 -11.161 -1.101 -0.834 1.00 0.00 C ATOM 910 O PHE A 57 -12.168 -0.560 -0.377 1.00 0.00 O ATOM 911 CB PHE A 57 -11.110 -2.393 -2.990 1.00 0.00 C ATOM 912 CG PHE A 57 -12.089 -1.457 -3.660 1.00 0.00 C ATOM 913 CD1 PHE A 57 -13.467 -1.729 -3.635 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.620 -0.311 -4.317 1.00 0.00 C ATOM 915 CE1 PHE A 57 -14.369 -0.851 -4.249 1.00 0.00 C ATOM 916 CE2 PHE A 57 -12.519 0.558 -4.949 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.894 0.293 -4.907 1.00 0.00 C ATOM 0 H PHE A 57 -13.224 -2.420 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.435 -3.104 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.097 -2.068 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.233 -3.389 -3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.832 -2.617 -3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.562 -0.097 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.429 -1.055 -4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.152 1.431 -5.468 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.589 0.970 -5.382 1.00 0.00 H new ATOM 927 N ALA A 58 -9.957 -0.526 -0.808 1.00 0.00 N ATOM 928 CA ALA A 58 -9.715 0.824 -0.330 1.00 0.00 C ATOM 929 C ALA A 58 -8.478 1.361 -1.028 1.00 0.00 C ATOM 930 O ALA A 58 -7.357 1.127 -0.587 1.00 0.00 O ATOM 931 CB ALA A 58 -9.544 0.849 1.190 1.00 0.00 C ATOM 0 H ALA A 58 -9.112 -1.000 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.573 1.456 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.364 1.872 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.449 0.469 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.697 0.223 1.471 1.00 0.00 H new ATOM 937 N PHE A 59 -8.704 2.080 -2.125 1.00 0.00 N ATOM 938 CA PHE A 59 -7.641 2.562 -2.988 1.00 0.00 C ATOM 939 C PHE A 59 -6.812 3.586 -2.221 1.00 0.00 C ATOM 940 O PHE A 59 -7.219 4.740 -2.080 1.00 0.00 O ATOM 941 CB PHE A 59 -8.276 3.125 -4.267 1.00 0.00 C ATOM 942 CG PHE A 59 -7.304 3.822 -5.193 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.079 5.193 -5.015 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.638 3.130 -6.221 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.178 5.870 -5.837 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.721 3.811 -7.034 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.475 5.174 -6.834 1.00 0.00 C ATOM 0 H PHE A 59 -9.638 2.344 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.961 1.764 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.755 2.310 -4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.062 3.828 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.605 5.728 -4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.832 2.080 -6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.021 6.931 -5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.202 3.281 -7.819 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.747 5.689 -7.444 1.00 0.00 H new ATOM 957 N VAL A 60 -5.644 3.163 -1.725 1.00 0.00 N ATOM 958 CA VAL A 60 -4.704 4.118 -1.144 1.00 0.00 C ATOM 959 C VAL A 60 -3.709 4.522 -2.210 1.00 0.00 C ATOM 960 O VAL A 60 -3.657 3.883 -3.260 1.00 0.00 O ATOM 961 CB VAL A 60 -3.972 3.590 0.093 1.00 0.00 C ATOM 962 CG1 VAL A 60 -4.927 2.815 1.001 1.00 0.00 C ATOM 963 CG2 VAL A 60 -2.707 2.804 -0.246 1.00 0.00 C ATOM 0 H VAL A 60 -5.335 2.191 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.281 4.976 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.620 4.457 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.384 2.450 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.734 3.472 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.344 1.970 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.236 2.458 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.967 1.946 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.014 3.447 -0.789 1.00 0.00 H new ATOM 973 N ARG A 61 -2.931 5.572 -1.930 1.00 0.00 N ATOM 974 CA ARG A 61 -1.983 6.141 -2.868 1.00 0.00 C ATOM 975 C ARG A 61 -0.750 6.667 -2.134 1.00 0.00 C ATOM 976 O ARG A 61 -0.865 7.592 -1.334 1.00 0.00 O ATOM 977 CB ARG A 61 -2.689 7.276 -3.604 1.00 0.00 C ATOM 978 CG ARG A 61 -1.918 7.694 -4.851 1.00 0.00 C ATOM 979 CD ARG A 61 -2.673 8.840 -5.521 1.00 0.00 C ATOM 980 NE ARG A 61 -2.331 8.923 -6.943 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.239 8.901 -7.923 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.539 8.881 -7.647 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.849 8.899 -9.194 1.00 0.00 N ATOM 0 H ARG A 61 -2.949 6.051 -1.030 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.645 5.381 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.694 6.960 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.798 8.132 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.909 8.008 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.820 6.852 -5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.747 8.690 -5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.429 9.781 -5.027 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.347 9.002 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.855 8.882 -6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.221 8.864 -8.405 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.855 8.914 -9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.544 8.882 -9.941 1.00 0.00 H new ATOM 997 N PHE A 62 0.419 6.079 -2.407 1.00 0.00 N ATOM 998 CA PHE A 62 1.704 6.530 -1.889 1.00 0.00 C ATOM 999 C PHE A 62 2.345 7.491 -2.875 1.00 0.00 C ATOM 1000 O PHE A 62 1.866 7.622 -4.003 1.00 0.00 O ATOM 1001 CB PHE A 62 2.638 5.338 -1.715 1.00 0.00 C ATOM 1002 CG PHE A 62 2.421 4.528 -0.461 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.221 3.833 -0.261 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.437 4.474 0.501 1.00 0.00 C ATOM 1005 CE1 PHE A 62 1.042 3.076 0.905 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.271 3.697 1.653 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.078 2.992 1.851 1.00 0.00 C ATOM 0 H PHE A 62 0.494 5.258 -3.008 1.00 0.00 H new ATOM 0 HA PHE A 62 1.540 7.023 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.526 4.680 -2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.666 5.699 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.437 3.880 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.350 5.033 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.110 2.558 1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.061 3.641 2.387 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.953 2.382 2.733 1.00 0.00 H new ATOM 1017 N HIS A 63 3.429 8.151 -2.439 1.00 0.00 N ATOM 1018 CA HIS A 63 4.162 9.113 -3.253 1.00 0.00 C ATOM 1019 C HIS A 63 5.644 8.770 -3.368 1.00 0.00 C ATOM 1020 O HIS A 63 6.248 8.964 -4.422 1.00 0.00 O ATOM 1021 CB HIS A 63 4.057 10.533 -2.684 1.00 0.00 C ATOM 1022 CG HIS A 63 3.263 10.750 -1.417 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.313 11.763 -1.273 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.359 10.057 -0.240 1.00 0.00 C ATOM 1025 CE1 HIS A 63 1.883 11.675 -0.008 1.00 0.00 C ATOM 1026 NE2 HIS A 63 2.481 10.659 0.635 1.00 0.00 N ATOM 0 H HIS A 63 3.818 8.026 -1.504 1.00 0.00 H new ATOM 0 HA HIS A 63 3.700 9.065 -4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.070 10.893 -2.505 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.625 11.168 -3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.996 9.208 -0.038 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.152 12.334 0.436 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.314 10.381 1.602 1.00 0.00 H new ATOM 1034 N ASP A 64 6.238 8.259 -2.288 1.00 0.00 N ATOM 1035 CA ASP A 64 7.650 7.905 -2.266 1.00 0.00 C ATOM 1036 C ASP A 64 7.872 6.571 -2.967 1.00 0.00 C ATOM 1037 O ASP A 64 7.211 5.588 -2.644 1.00 0.00 O ATOM 1038 CB ASP A 64 8.082 7.781 -0.810 1.00 0.00 C ATOM 1039 CG ASP A 64 8.515 9.126 -0.243 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.706 9.460 -0.429 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.659 9.802 0.369 1.00 0.00 O ATOM 0 H ASP A 64 5.752 8.081 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 64 8.230 8.671 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.259 7.383 -0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.904 7.070 -0.732 1.00 0.00 H new ATOM 1046 N LYS A 65 8.802 6.528 -3.927 1.00 0.00 N ATOM 1047 CA LYS A 65 9.111 5.287 -4.625 1.00 0.00 C ATOM 1048 C LYS A 65 9.617 4.246 -3.634 1.00 0.00 C ATOM 1049 O LYS A 65 9.074 3.149 -3.584 1.00 0.00 O ATOM 1050 CB LYS A 65 10.131 5.561 -5.737 1.00 0.00 C ATOM 1051 CG LYS A 65 10.776 4.286 -6.306 1.00 0.00 C ATOM 1052 CD LYS A 65 9.777 3.228 -6.790 1.00 0.00 C ATOM 1053 CE LYS A 65 8.823 3.760 -7.862 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.545 4.150 -9.090 1.00 0.00 N ATOM 0 H LYS A 65 9.347 7.334 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 65 8.209 4.888 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.639 6.101 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.914 6.212 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.424 4.562 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.412 3.843 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.324 2.374 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.197 2.867 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.083 2.997 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.279 4.620 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.863 4.474 -9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.210 4.919 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.071 3.332 -9.458 1.00 0.00 H new ATOM 1068 N ARG A 66 10.644 4.580 -2.846 1.00 0.00 N ATOM 1069 CA ARG A 66 11.237 3.624 -1.920 1.00 0.00 C ATOM 1070 C ARG A 66 10.225 3.069 -0.911 1.00 0.00 C ATOM 1071 O ARG A 66 10.341 1.917 -0.503 1.00 0.00 O ATOM 1072 CB ARG A 66 12.469 4.216 -1.231 1.00 0.00 C ATOM 1073 CG ARG A 66 12.177 5.363 -0.251 1.00 0.00 C ATOM 1074 CD ARG A 66 11.770 6.673 -0.931 1.00 0.00 C ATOM 1075 NE ARG A 66 12.805 7.136 -1.862 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.863 8.371 -2.371 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.969 9.297 -2.038 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.830 8.688 -3.229 1.00 0.00 N ATOM 0 H ARG A 66 11.077 5.503 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 66 11.566 2.770 -2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.983 3.420 -0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.156 4.578 -1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.381 5.055 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.063 5.542 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.833 6.530 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.590 7.437 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 66 13.528 6.472 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.221 9.071 -1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.031 10.233 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.524 7.990 -3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.877 9.629 -3.619 1.00 0.00 H new ATOM 1092 N ASP A 67 9.232 3.869 -0.511 1.00 0.00 N ATOM 1093 CA ASP A 67 8.243 3.420 0.464 1.00 0.00 C ATOM 1094 C ASP A 67 7.062 2.742 -0.227 1.00 0.00 C ATOM 1095 O ASP A 67 6.307 2.013 0.412 1.00 0.00 O ATOM 1096 CB ASP A 67 7.747 4.617 1.280 1.00 0.00 C ATOM 1097 CG ASP A 67 8.870 5.297 2.057 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.801 4.587 2.495 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.789 6.535 2.211 1.00 0.00 O ATOM 0 H ASP A 67 9.095 4.823 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 67 8.715 2.694 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.281 5.341 0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.977 4.285 1.976 1.00 0.00 H new ATOM 1104 N ALA A 68 6.903 2.970 -1.531 1.00 0.00 N ATOM 1105 CA ALA A 68 5.842 2.369 -2.317 1.00 0.00 C ATOM 1106 C ALA A 68 6.229 0.933 -2.655 1.00 0.00 C ATOM 1107 O ALA A 68 5.413 0.019 -2.526 1.00 0.00 O ATOM 1108 CB ALA A 68 5.675 3.193 -3.598 1.00 0.00 C ATOM 0 H ALA A 68 7.515 3.583 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 68 4.903 2.358 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.882 2.761 -4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.416 4.220 -3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.609 3.186 -4.160 1.00 0.00 H new ATOM 1114 N GLU A 69 7.475 0.725 -3.090 1.00 0.00 N ATOM 1115 CA GLU A 69 7.928 -0.615 -3.420 1.00 0.00 C ATOM 1116 C GLU A 69 8.205 -1.440 -2.164 1.00 0.00 C ATOM 1117 O GLU A 69 8.124 -2.663 -2.220 1.00 0.00 O ATOM 1118 CB GLU A 69 9.162 -0.571 -4.330 1.00 0.00 C ATOM 1119 CG GLU A 69 10.357 0.101 -3.656 1.00 0.00 C ATOM 1120 CD GLU A 69 11.642 -0.147 -4.444 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.912 0.654 -5.365 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.341 -1.131 -4.118 1.00 0.00 O ATOM 0 H GLU A 69 8.172 1.458 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 69 7.122 -1.107 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.434 -1.586 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.916 -0.035 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.177 1.173 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.469 -0.281 -2.641 1.00 0.00 H new ATOM 1129 N ASP A 70 8.528 -0.801 -1.033 1.00 0.00 N ATOM 1130 CA ASP A 70 8.782 -1.539 0.198 1.00 0.00 C ATOM 1131 C ASP A 70 7.484 -2.064 0.801 1.00 0.00 C ATOM 1132 O ASP A 70 7.416 -3.232 1.177 1.00 0.00 O ATOM 1133 CB ASP A 70 9.514 -0.641 1.192 1.00 0.00 C ATOM 1134 CG ASP A 70 9.885 -1.410 2.459 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.699 -2.354 2.347 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.349 -1.046 3.531 1.00 0.00 O ATOM 0 H ASP A 70 8.617 0.212 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 70 9.409 -2.400 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.416 -0.240 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.884 0.210 1.451 1.00 0.00 H new ATOM 1141 N ALA A 71 6.449 -1.224 0.897 1.00 0.00 N ATOM 1142 CA ALA A 71 5.181 -1.655 1.461 1.00 0.00 C ATOM 1143 C ALA A 71 4.572 -2.758 0.599 1.00 0.00 C ATOM 1144 O ALA A 71 3.886 -3.642 1.109 1.00 0.00 O ATOM 1145 CB ALA A 71 4.237 -0.460 1.544 1.00 0.00 C ATOM 0 H ALA A 71 6.470 -0.251 0.592 1.00 0.00 H new ATOM 0 HA ALA A 71 5.343 -2.054 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.284 -0.778 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.678 0.308 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.074 -0.055 0.545 1.00 0.00 H new ATOM 1151 N MET A 72 4.826 -2.707 -0.711 1.00 0.00 N ATOM 1152 CA MET A 72 4.374 -3.729 -1.633 1.00 0.00 C ATOM 1153 C MET A 72 5.197 -5.001 -1.482 1.00 0.00 C ATOM 1154 O MET A 72 4.644 -6.098 -1.510 1.00 0.00 O ATOM 1155 CB MET A 72 4.512 -3.162 -3.039 1.00 0.00 C ATOM 1156 CG MET A 72 4.499 -4.213 -4.145 1.00 0.00 C ATOM 1157 SD MET A 72 4.319 -3.511 -5.807 1.00 0.00 S ATOM 1158 CE MET A 72 5.425 -2.080 -5.687 1.00 0.00 C ATOM 0 H MET A 72 5.351 -1.953 -1.153 1.00 0.00 H new ATOM 0 HA MET A 72 3.337 -3.995 -1.426 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.700 -2.457 -3.215 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.443 -2.598 -3.101 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.424 -4.788 -4.100 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.681 -4.910 -3.963 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.565 -1.644 -6.676 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.987 -1.336 -5.022 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.389 -2.398 -5.291 1.00 0.00 H new ATOM 1168 N ASP A 73 6.513 -4.865 -1.317 1.00 0.00 N ATOM 1169 CA ASP A 73 7.395 -6.012 -1.197 1.00 0.00 C ATOM 1170 C ASP A 73 7.389 -6.570 0.231 1.00 0.00 C ATOM 1171 O ASP A 73 8.121 -7.510 0.532 1.00 0.00 O ATOM 1172 CB ASP A 73 8.812 -5.609 -1.616 1.00 0.00 C ATOM 1173 CG ASP A 73 9.748 -6.813 -1.702 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.406 -7.767 -2.435 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.806 -6.773 -1.033 1.00 0.00 O ATOM 0 H ASP A 73 6.988 -3.964 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 73 7.035 -6.802 -1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.775 -5.109 -2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.211 -4.890 -0.900 1.00 0.00 H new ATOM 1180 N ALA A 74 6.567 -5.994 1.117 1.00 0.00 N ATOM 1181 CA ALA A 74 6.538 -6.382 2.516 1.00 0.00 C ATOM 1182 C ALA A 74 5.126 -6.683 3.015 1.00 0.00 C ATOM 1183 O ALA A 74 4.975 -7.136 4.150 1.00 0.00 O ATOM 1184 CB ALA A 74 7.144 -5.253 3.334 1.00 0.00 C ATOM 0 H ALA A 74 5.910 -5.251 0.878 1.00 0.00 H new ATOM 0 HA ALA A 74 7.111 -7.303 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.133 -5.522 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.172 -5.083 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.562 -4.343 3.185 1.00 0.00 H new ATOM 1190 N MET A 75 4.094 -6.448 2.198 1.00 0.00 N ATOM 1191 CA MET A 75 2.734 -6.759 2.621 1.00 0.00 C ATOM 1192 C MET A 75 1.869 -7.430 1.555 1.00 0.00 C ATOM 1193 O MET A 75 0.956 -8.167 1.912 1.00 0.00 O ATOM 1194 CB MET A 75 2.040 -5.478 3.080 1.00 0.00 C ATOM 1195 CG MET A 75 1.071 -5.831 4.204 1.00 0.00 C ATOM 1196 SD MET A 75 -0.156 -4.554 4.577 1.00 0.00 S ATOM 1197 CE MET A 75 0.951 -3.169 4.934 1.00 0.00 C ATOM 0 H MET A 75 4.175 -6.052 1.261 1.00 0.00 H new ATOM 0 HA MET A 75 2.837 -7.481 3.431 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.775 -4.752 3.427 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.505 -5.018 2.249 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.549 -6.750 3.939 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.645 -6.039 5.107 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.361 -2.288 5.186 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.597 -3.426 5.774 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.563 -2.957 4.057 1.00 0.00 H new ATOM 1207 N ASP A 76 2.119 -7.199 0.260 1.00 0.00 N ATOM 1208 CA ASP A 76 1.287 -7.850 -0.740 1.00 0.00 C ATOM 1209 C ASP A 76 1.454 -9.367 -0.650 1.00 0.00 C ATOM 1210 O ASP A 76 2.568 -9.877 -0.515 1.00 0.00 O ATOM 1211 CB ASP A 76 1.654 -7.360 -2.142 1.00 0.00 C ATOM 1212 CG ASP A 76 1.038 -8.229 -3.232 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.130 -7.956 -3.591 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.736 -9.157 -3.700 1.00 0.00 O ATOM 0 H ASP A 76 2.857 -6.594 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 76 0.245 -7.596 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.317 -6.331 -2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.738 -7.356 -2.252 1.00 0.00 H new ATOM 1219 N GLY A 77 0.329 -10.075 -0.729 1.00 0.00 N ATOM 1220 CA GLY A 77 0.310 -11.531 -0.753 1.00 0.00 C ATOM 1221 C GLY A 77 0.550 -12.143 0.627 1.00 0.00 C ATOM 1222 O GLY A 77 0.750 -13.352 0.726 1.00 0.00 O ATOM 0 H GLY A 77 -0.597 -9.651 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.652 -11.872 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.073 -11.890 -1.444 1.00 0.00 H new ATOM 1226 N ALA A 78 0.530 -11.329 1.687 1.00 0.00 N ATOM 1227 CA ALA A 78 0.764 -11.798 3.046 1.00 0.00 C ATOM 1228 C ALA A 78 -0.524 -12.357 3.648 1.00 0.00 C ATOM 1229 O ALA A 78 -0.776 -12.230 4.846 1.00 0.00 O ATOM 1230 CB ALA A 78 1.321 -10.648 3.887 1.00 0.00 C ATOM 0 H ALA A 78 0.351 -10.327 1.621 1.00 0.00 H new ATOM 0 HA ALA A 78 1.495 -12.607 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.498 -10.994 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.259 -10.301 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.603 -9.828 3.902 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.339 -12.976 2.792 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.679 -13.421 3.128 1.00 0.00 C ATOM 1238 C VAL A 79 -2.709 -14.592 4.093 1.00 0.00 C ATOM 1239 O VAL A 79 -1.690 -15.195 4.423 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.434 -13.753 1.843 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.946 -15.045 1.192 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -4.929 -13.759 2.042 1.00 0.00 C ATOM 0 H VAL A 79 -1.074 -13.183 1.829 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.170 -12.602 3.653 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.208 -12.946 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.517 -15.232 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.889 -14.951 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.083 -15.876 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.421 -14.000 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.193 -14.506 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.255 -12.775 2.380 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.931 -14.895 4.532 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.187 -15.962 5.489 1.00 0.00 C ATOM 1254 C LEU A 80 -5.621 -16.500 5.416 1.00 0.00 C ATOM 1255 O LEU A 80 -6.000 -17.332 6.239 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.844 -15.484 6.908 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.278 -14.044 7.230 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.746 -13.776 6.914 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.032 -13.774 8.715 1.00 0.00 C ATOM 0 H LEU A 80 -4.772 -14.403 4.230 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.540 -16.799 5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.312 -16.158 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.766 -15.564 7.052 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.687 -13.380 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.989 -12.743 7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.926 -13.945 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.373 -14.448 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.336 -12.755 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.612 -14.476 9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.972 -13.898 8.937 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.424 -16.041 4.450 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.796 -16.509 4.307 1.00 0.00 C ATOM 1273 C ASP A 81 -8.277 -16.522 2.857 1.00 0.00 C ATOM 1274 O ASP A 81 -9.407 -16.939 2.592 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.707 -15.632 5.176 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.130 -16.180 5.260 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.280 -17.340 5.710 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -11.060 -15.437 4.874 1.00 0.00 O ATOM 0 H ASP A 81 -6.142 -15.346 3.759 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.835 -17.546 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.288 -15.559 6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.733 -14.622 4.767 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.451 -16.075 1.905 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.840 -16.070 0.496 1.00 0.00 C ATOM 1285 C GLY A 82 -7.719 -14.671 -0.090 1.00 0.00 C ATOM 1286 O GLY A 82 -7.694 -14.508 -1.308 1.00 0.00 O ATOM 0 H GLY A 82 -6.514 -15.714 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.208 -16.760 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.866 -16.424 0.395 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.646 -13.668 0.789 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.357 -12.294 0.431 1.00 0.00 C ATOM 1292 C ARG A 83 -6.901 -11.589 1.695 1.00 0.00 C ATOM 1293 O ARG A 83 -7.445 -11.831 2.770 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.578 -11.589 -0.174 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.712 -11.366 0.819 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.470 -10.107 0.425 1.00 0.00 C ATOM 1297 NE ARG A 83 -11.074 -10.221 -0.907 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.598 -9.193 -1.581 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -11.641 -7.978 -1.039 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.085 -9.381 -2.802 1.00 0.00 N ATOM 0 H ARG A 83 -7.791 -13.801 1.790 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.581 -12.267 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.267 -10.626 -0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.950 -12.181 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.383 -12.225 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.315 -11.267 1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.250 -9.909 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.791 -9.255 0.443 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.095 -11.142 -1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.272 -7.825 -0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.043 -7.200 -1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.059 -10.309 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.485 -8.597 -3.318 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.903 -10.722 1.580 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.543 -9.839 2.668 1.00 0.00 C ATOM 1316 C GLU A 84 -5.057 -8.537 2.050 1.00 0.00 C ATOM 1317 O GLU A 84 -5.504 -7.460 2.439 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.434 -10.414 3.552 1.00 0.00 C ATOM 1319 CG GLU A 84 -4.955 -11.290 4.697 1.00 0.00 C ATOM 1320 CD GLU A 84 -5.766 -10.487 5.709 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -5.141 -9.937 6.644 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.006 -10.430 5.549 1.00 0.00 O ATOM 0 H GLU A 84 -5.332 -10.616 0.742 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.416 -9.696 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.757 -11.003 2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.851 -9.593 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.574 -12.089 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.114 -11.765 5.202 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.140 -8.663 1.082 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.575 -7.517 0.375 1.00 0.00 C ATOM 1331 C LEU A 85 -3.401 -7.781 -1.115 1.00 0.00 C ATOM 1332 O LEU A 85 -3.181 -8.916 -1.533 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.159 -7.200 0.881 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.010 -6.567 2.263 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.929 -5.358 2.403 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.257 -7.586 3.370 1.00 0.00 C ATOM 0 H LEU A 85 -3.773 -9.562 0.771 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.277 -6.703 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.589 -8.129 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.688 -6.534 0.158 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.982 -6.221 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.808 -4.922 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.673 -4.617 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.965 -5.671 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.143 -7.103 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.268 -7.984 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.537 -8.400 3.283 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.499 -6.695 -1.885 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.114 -6.618 -3.289 1.00 0.00 C ATOM 1350 C ARG A 86 -2.643 -5.189 -3.536 1.00 0.00 C ATOM 1351 O ARG A 86 -3.458 -4.287 -3.732 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.272 -6.983 -4.226 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.524 -8.495 -4.300 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.356 -9.242 -4.948 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.237 -8.881 -6.364 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.219 -8.208 -6.913 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -1.168 -7.824 -6.194 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.258 -7.917 -8.211 1.00 0.00 N ATOM 0 H ARG A 86 -3.864 -5.811 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.323 -7.338 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.180 -6.484 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.057 -6.606 -5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.690 -8.884 -3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.434 -8.683 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.429 -9.002 -4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.507 -10.317 -4.852 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.995 -9.167 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.124 -8.041 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.406 -7.312 -6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.057 -8.206 -8.775 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.489 -7.404 -8.642 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.325 -4.982 -3.524 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.739 -3.659 -3.688 1.00 0.00 C ATOM 1374 C VAL A 87 0.285 -3.676 -4.817 1.00 0.00 C ATOM 1375 O VAL A 87 1.173 -4.525 -4.862 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.170 -3.140 -2.357 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.890 -4.022 -1.728 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.391 -1.734 -2.515 1.00 0.00 C ATOM 0 H VAL A 87 -0.639 -5.727 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.516 -2.951 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.024 -3.145 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.230 -3.573 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.470 -5.007 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.734 -4.121 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.787 -1.391 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.190 -1.742 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.401 -1.061 -2.842 1.00 0.00 H new ATOM 1388 N GLN A 88 0.140 -2.713 -5.731 1.00 0.00 N ATOM 1389 CA GLN A 88 0.995 -2.553 -6.899 1.00 0.00 C ATOM 1390 C GLN A 88 0.761 -1.179 -7.503 1.00 0.00 C ATOM 1391 O GLN A 88 -0.226 -0.508 -7.204 1.00 0.00 O ATOM 1392 CB GLN A 88 0.706 -3.645 -7.931 1.00 0.00 C ATOM 1393 CG GLN A 88 -0.735 -3.585 -8.445 1.00 0.00 C ATOM 1394 CD GLN A 88 -0.932 -4.577 -9.582 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.875 -5.788 -9.381 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -1.166 -4.068 -10.787 1.00 0.00 N ATOM 0 H GLN A 88 -0.595 -2.008 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 88 2.038 -2.644 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.394 -3.542 -8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.891 -4.622 -7.485 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.427 -3.809 -7.634 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.964 -2.576 -8.790 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.206 -3.057 -10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.306 -4.689 -11.584 1.00 0.00 H new ATOM 1405 N MET A 89 1.686 -0.769 -8.364 1.00 0.00 N ATOM 1406 CA MET A 89 1.677 0.538 -8.992 1.00 0.00 C ATOM 1407 C MET A 89 0.377 0.734 -9.763 1.00 0.00 C ATOM 1408 O MET A 89 -0.079 -0.176 -10.456 1.00 0.00 O ATOM 1409 CB MET A 89 2.902 0.608 -9.896 1.00 0.00 C ATOM 1410 CG MET A 89 4.148 0.437 -9.022 1.00 0.00 C ATOM 1411 SD MET A 89 4.643 1.949 -8.164 1.00 0.00 S ATOM 1412 CE MET A 89 5.836 1.227 -7.016 1.00 0.00 C ATOM 0 H MET A 89 2.475 -1.350 -8.647 1.00 0.00 H new ATOM 0 HA MET A 89 1.724 1.341 -8.256 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.860 -0.173 -10.656 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.933 1.563 -10.421 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.960 -0.344 -8.285 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.975 0.096 -9.645 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.559 1.986 -6.717 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.314 0.856 -6.134 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.356 0.402 -7.503 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.220 1.920 -9.643 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.476 2.218 -10.314 1.00 0.00 C ATOM 1424 C ALA A 90 -1.306 2.162 -11.832 1.00 0.00 C ATOM 1425 O ALA A 90 -0.200 2.340 -12.341 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.956 3.606 -9.878 1.00 0.00 C ATOM 0 H ALA A 90 0.151 2.689 -9.085 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.219 1.471 -10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.897 3.838 -10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.104 3.617 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.208 4.351 -10.149 1.00 0.00 H new ATOM 1432 N ARG A 91 -2.405 1.917 -12.551 1.00 0.00 N ATOM 1433 CA ARG A 91 -2.404 1.905 -14.013 1.00 0.00 C ATOM 1434 C ARG A 91 -3.624 2.640 -14.563 1.00 0.00 C ATOM 1435 O ARG A 91 -3.827 2.658 -15.775 1.00 0.00 O ATOM 1436 CB ARG A 91 -2.344 0.473 -14.549 1.00 0.00 C ATOM 1437 CG ARG A 91 -1.051 -0.225 -14.122 1.00 0.00 C ATOM 1438 CD ARG A 91 -0.893 -1.552 -14.862 1.00 0.00 C ATOM 1439 NE ARG A 91 -2.030 -2.444 -14.620 1.00 0.00 N ATOM 1440 CZ ARG A 91 -2.294 -3.536 -15.349 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -1.491 -3.902 -16.342 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -3.371 -4.262 -15.082 1.00 0.00 N ATOM 0 H ARG A 91 -3.316 1.722 -12.136 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.511 2.429 -14.353 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.202 -0.091 -14.184 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.411 0.486 -15.637 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.197 0.419 -14.331 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.063 -0.400 -13.046 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.799 -1.364 -15.931 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.028 -2.040 -14.542 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.659 -2.219 -13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.661 -3.349 -16.557 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.704 -4.736 -16.889 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.995 -3.988 -14.323 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.575 -5.094 -15.635 1.00 0.00 H new ATOM 1456 N TYR A 92 -4.426 3.247 -13.680 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.563 4.068 -14.070 1.00 0.00 C ATOM 1458 C TYR A 92 -5.519 5.371 -13.268 1.00 0.00 C ATOM 1459 O TYR A 92 -4.811 5.449 -12.265 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.880 3.325 -13.843 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.889 1.867 -14.253 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -6.565 1.490 -15.565 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -7.224 0.886 -13.307 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -6.565 0.137 -15.930 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -7.216 -0.471 -13.658 1.00 0.00 C ATOM 1466 CZ TYR A 92 -6.881 -0.852 -14.976 1.00 0.00 C ATOM 1467 OH TYR A 92 -6.867 -2.171 -15.321 1.00 0.00 O ATOM 0 H TYR A 92 -4.298 3.178 -12.670 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.505 4.293 -15.135 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.134 3.388 -12.785 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.667 3.843 -14.391 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.315 2.245 -16.296 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.490 1.179 -12.302 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.323 -0.148 -16.943 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.465 -1.222 -12.923 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.108 -2.715 -14.543 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.265 6.391 -13.699 1.00 0.00 N ATOM 1478 CA GLY A 93 -6.198 7.713 -13.083 1.00 0.00 C ATOM 1479 C GLY A 93 -7.477 8.069 -12.332 1.00 0.00 C ATOM 1480 O GLY A 93 -8.471 7.346 -12.392 1.00 0.00 O ATOM 0 H GLY A 93 -6.924 6.323 -14.475 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.354 7.748 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.012 8.461 -13.854 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.437 9.196 -11.616 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.574 9.674 -10.842 1.00 0.00 C ATOM 1486 C ARG A 94 -9.726 10.067 -11.776 1.00 0.00 C ATOM 1487 O ARG A 94 -9.489 10.376 -12.941 1.00 0.00 O ATOM 1488 CB ARG A 94 -8.123 10.839 -9.959 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.733 12.078 -10.768 1.00 0.00 C ATOM 1490 CD ARG A 94 -7.323 13.201 -9.815 1.00 0.00 C ATOM 1491 NE ARG A 94 -8.434 13.552 -8.918 1.00 0.00 N ATOM 1492 CZ ARG A 94 -9.393 14.439 -9.201 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -9.388 15.116 -10.346 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -10.368 14.646 -8.322 1.00 0.00 N ATOM 0 H ARG A 94 -6.615 9.798 -11.560 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.948 8.881 -10.194 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.926 11.099 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.273 10.523 -9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.910 11.841 -11.443 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.570 12.400 -11.387 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.459 12.889 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.020 14.078 -10.387 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.476 13.084 -8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.644 14.962 -11.026 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.129 15.789 -10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.379 14.130 -7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.105 15.321 -8.527 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.971 10.057 -11.281 1.00 0.00 N ATOM 1509 CA PRO A 95 -12.154 10.300 -12.082 1.00 0.00 C ATOM 1510 C PRO A 95 -12.321 11.787 -12.410 1.00 0.00 C ATOM 1511 O PRO A 95 -11.957 12.645 -11.604 1.00 0.00 O ATOM 1512 CB PRO A 95 -13.312 9.801 -11.222 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.820 10.047 -9.794 1.00 0.00 C ATOM 1514 CD PRO A 95 -11.324 9.776 -9.903 1.00 0.00 C ATOM 0 HA PRO A 95 -12.099 9.792 -13.045 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.232 10.347 -11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.520 8.746 -11.400 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.024 11.066 -9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.301 9.379 -9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.761 10.410 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.094 8.743 -9.643 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.868 12.102 -13.592 1.00 0.00 N ATOM 1523 CA PRO A 96 -13.162 13.459 -14.020 1.00 0.00 C ATOM 1524 C PRO A 96 -14.472 13.976 -13.417 1.00 0.00 C ATOM 1525 O PRO A 96 -14.666 15.183 -13.286 1.00 0.00 O ATOM 1526 CB PRO A 96 -13.311 13.353 -15.536 1.00 0.00 C ATOM 1527 CG PRO A 96 -13.896 11.953 -15.728 1.00 0.00 C ATOM 1528 CD PRO A 96 -13.231 11.142 -14.620 1.00 0.00 C ATOM 0 HA PRO A 96 -12.382 14.151 -13.703 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -13.972 14.124 -15.931 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.353 13.463 -16.044 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.982 11.953 -15.630 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -13.665 11.552 -16.715 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.911 10.386 -14.227 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.352 10.617 -14.993 1.00 0.00 H new ATOM 1536 N ASP A 97 -15.366 13.052 -13.052 1.00 0.00 N ATOM 1537 CA ASP A 97 -16.662 13.351 -12.465 1.00 0.00 C ATOM 1538 C ASP A 97 -17.114 12.161 -11.615 1.00 0.00 C ATOM 1539 O ASP A 97 -16.595 11.055 -11.781 1.00 0.00 O ATOM 1540 CB ASP A 97 -17.671 13.618 -13.582 1.00 0.00 C ATOM 1541 CG ASP A 97 -19.032 13.995 -13.010 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -19.104 15.079 -12.389 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.979 13.200 -13.193 1.00 0.00 O ATOM 0 H ASP A 97 -15.198 12.052 -13.162 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.592 14.235 -11.832 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.306 14.422 -14.222 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.769 12.731 -14.208 1.00 0.00 H new ATOM 1548 N SER A 98 -18.072 12.367 -10.703 1.00 0.00 N ATOM 1549 CA SER A 98 -18.458 11.304 -9.786 1.00 0.00 C ATOM 1550 C SER A 98 -19.252 10.195 -10.470 1.00 0.00 C ATOM 1551 O SER A 98 -18.916 9.020 -10.316 1.00 0.00 O ATOM 1552 CB SER A 98 -19.260 11.875 -8.622 1.00 0.00 C ATOM 1553 OG SER A 98 -20.384 12.588 -9.100 1.00 0.00 O ATOM 0 H SER A 98 -18.581 13.243 -10.586 1.00 0.00 H new ATOM 0 HA SER A 98 -17.535 10.858 -9.415 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.586 11.068 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.629 12.535 -8.027 1.00 0.00 H new ATOM 0 HG SER A 98 -20.890 12.947 -8.342 1.00 0.00 H new ATOM 1559 N HIS A 99 -20.300 10.548 -11.218 1.00 0.00 N ATOM 1560 CA HIS A 99 -21.141 9.559 -11.872 1.00 0.00 C ATOM 1561 C HIS A 99 -22.121 10.220 -12.841 1.00 0.00 C ATOM 1562 O HIS A 99 -22.321 9.717 -13.947 1.00 0.00 O ATOM 1563 CB HIS A 99 -21.931 8.799 -10.798 1.00 0.00 C ATOM 1564 CG HIS A 99 -22.815 7.720 -11.369 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -24.203 7.809 -11.521 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -22.387 6.505 -11.823 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -24.575 6.637 -12.062 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -23.510 5.839 -12.253 1.00 0.00 N ATOM 0 H HIS A 99 -20.582 11.514 -11.382 1.00 0.00 H new ATOM 0 HA HIS A 99 -20.506 8.879 -12.440 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -21.233 8.352 -10.090 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -22.544 9.505 -10.238 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -21.370 6.141 -11.841 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -25.592 6.372 -12.310 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -23.532 4.899 -12.649 1.00 0.00 H new ATOM 1576 N HIS A 100 -22.729 11.337 -12.433 1.00 0.00 N ATOM 1577 CA HIS A 100 -23.722 12.028 -13.249 1.00 0.00 C ATOM 1578 C HIS A 100 -23.937 13.470 -12.779 1.00 0.00 C ATOM 1579 O HIS A 100 -24.884 14.125 -13.212 1.00 0.00 O ATOM 1580 CB HIS A 100 -25.038 11.241 -13.187 1.00 0.00 C ATOM 1581 CG HIS A 100 -26.074 11.720 -14.170 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -25.911 11.772 -15.558 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -27.321 12.171 -13.844 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -27.069 12.258 -16.033 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -27.933 12.504 -15.031 1.00 0.00 N ATOM 0 H HIS A 100 -22.546 11.783 -11.534 1.00 0.00 H new ATOM 0 HA HIS A 100 -23.362 12.079 -14.277 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -24.831 10.187 -13.375 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -25.446 11.311 -12.179 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -27.743 12.251 -12.853 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -27.279 12.429 -17.079 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -28.878 12.873 -15.133 1.00 0.00 H new ATOM 1593 N SER A 101 -23.066 13.972 -11.895 1.00 0.00 N ATOM 1594 CA SER A 101 -23.192 15.301 -11.310 1.00 0.00 C ATOM 1595 C SER A 101 -23.333 16.384 -12.379 1.00 0.00 C ATOM 1596 O SER A 101 -24.292 17.176 -12.271 1.00 0.00 O ATOM 1597 CB SER A 101 -21.988 15.572 -10.409 1.00 0.00 C ATOM 1598 OG SER A 101 -22.165 16.796 -9.731 1.00 0.00 O ATOM 1599 OXT SER A 101 -22.486 16.418 -13.298 1.00 0.00 O ATOM 0 H SER A 101 -22.249 13.458 -11.567 1.00 0.00 H new ATOM 0 HA SER A 101 -24.104 15.331 -10.714 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.870 14.761 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.076 15.604 -11.005 1.00 0.00 H new ATOM 0 HG SER A 101 -21.391 16.965 -9.153 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -14.852 -5.244 -10.447 1.00 0.00 O ATOM 1607 C5' U B 102 -13.502 -4.867 -10.622 1.00 0.00 C ATOM 1608 C4' U B 102 -13.036 -3.926 -9.505 1.00 0.00 C ATOM 1609 O4' U B 102 -13.685 -2.671 -9.632 1.00 0.00 O ATOM 1610 C3' U B 102 -13.370 -4.500 -8.122 1.00 0.00 C ATOM 1611 O3' U B 102 -12.390 -4.165 -7.155 1.00 0.00 O ATOM 1612 C2' U B 102 -14.674 -3.789 -7.790 1.00 0.00 C ATOM 1613 O2' U B 102 -14.861 -3.659 -6.395 1.00 0.00 O ATOM 1614 C1' U B 102 -14.504 -2.447 -8.497 1.00 0.00 C ATOM 1615 N1 U B 102 -15.816 -1.887 -8.896 1.00 0.00 N ATOM 1616 C2 U B 102 -16.480 -1.036 -8.020 1.00 0.00 C ATOM 1617 O2 U B 102 -16.022 -0.728 -6.921 1.00 0.00 O ATOM 1618 N3 U B 102 -17.701 -0.542 -8.447 1.00 0.00 N ATOM 1619 C4 U B 102 -18.316 -0.833 -9.654 1.00 0.00 C ATOM 1620 O4 U B 102 -19.411 -0.340 -9.934 1.00 0.00 O ATOM 1621 C5 U B 102 -17.565 -1.729 -10.498 1.00 0.00 C ATOM 1622 C6 U B 102 -16.364 -2.215 -10.103 1.00 0.00 C ATOM 0 H5' U B 102 -13.382 -4.376 -11.588 1.00 0.00 H new ATOM 0 H5'' U B 102 -12.873 -5.757 -10.637 1.00 0.00 H new ATOM 0 H4' U B 102 -11.956 -3.812 -9.597 1.00 0.00 H new ATOM 0 H3' U B 102 -13.423 -5.589 -8.121 1.00 0.00 H new ATOM 0 H2' U B 102 -15.565 -4.326 -8.116 1.00 0.00 H new ATOM 0 HO2' U B 102 -13.990 -3.659 -5.947 1.00 0.00 H new ATOM 0 HO5' U B 102 -15.122 -5.842 -11.175 1.00 0.00 H new ATOM 0 H1' U B 102 -14.042 -1.721 -7.828 1.00 0.00 H new ATOM 0 H3 U B 102 -18.191 0.093 -7.817 1.00 0.00 H new ATOM 0 H5 U B 102 -17.966 -2.017 -11.459 1.00 0.00 H new ATOM 0 H6 U B 102 -15.825 -2.880 -10.761 1.00 0.00 H new ATOM 1634 P G B 103 -10.843 -4.575 -7.341 1.00 0.00 P ATOM 1635 OP1 G B 103 -10.741 -5.570 -8.434 1.00 0.00 O ATOM 1636 OP2 G B 103 -10.279 -4.886 -6.009 1.00 0.00 O ATOM 1637 O5' G B 103 -10.214 -3.183 -7.852 1.00 0.00 O ATOM 1638 C5' G B 103 -10.097 -2.107 -6.946 1.00 0.00 C ATOM 1639 C4' G B 103 -9.543 -0.848 -7.603 1.00 0.00 C ATOM 1640 O4' G B 103 -8.203 -0.998 -8.033 1.00 0.00 O ATOM 1641 C3' G B 103 -10.347 -0.366 -8.814 1.00 0.00 C ATOM 1642 O3' G B 103 -11.145 0.727 -8.421 1.00 0.00 O ATOM 1643 C2' G B 103 -9.263 0.031 -9.820 1.00 0.00 C ATOM 1644 O2' G B 103 -9.484 1.288 -10.420 1.00 0.00 O ATOM 1645 C1' G B 103 -8.015 0.056 -8.950 1.00 0.00 C ATOM 1646 N9 G B 103 -6.788 -0.079 -9.758 1.00 0.00 N ATOM 1647 C8 G B 103 -5.973 0.923 -10.203 1.00 0.00 C ATOM 1648 N7 G B 103 -4.946 0.508 -10.893 1.00 0.00 N ATOM 1649 C5 G B 103 -5.107 -0.876 -10.920 1.00 0.00 C ATOM 1650 C6 G B 103 -4.304 -1.885 -11.528 1.00 0.00 C ATOM 1651 O6 G B 103 -3.267 -1.753 -12.171 1.00 0.00 O ATOM 1652 N1 G B 103 -4.815 -3.156 -11.327 1.00 0.00 N ATOM 1653 C2 G B 103 -5.966 -3.432 -10.630 1.00 0.00 C ATOM 1654 N2 G B 103 -6.324 -4.710 -10.539 1.00 0.00 N ATOM 1655 N3 G B 103 -6.722 -2.498 -10.051 1.00 0.00 N ATOM 1656 C4 G B 103 -6.238 -1.244 -10.237 1.00 0.00 C ATOM 0 H5' G B 103 -9.446 -2.399 -6.122 1.00 0.00 H new ATOM 0 H5'' G B 103 -11.075 -1.889 -6.518 1.00 0.00 H new ATOM 0 H4' G B 103 -9.613 -0.107 -6.806 1.00 0.00 H new ATOM 0 H3' G B 103 -11.030 -1.103 -9.237 1.00 0.00 H new ATOM 0 H2' G B 103 -9.216 -0.653 -10.667 1.00 0.00 H new ATOM 0 HO2' G B 103 -10.341 1.278 -10.895 1.00 0.00 H new ATOM 0 H1' G B 103 -7.880 1.004 -8.430 1.00 0.00 H new ATOM 0 H8 G B 103 -6.162 1.967 -10.001 1.00 0.00 H new ATOM 0 H1 G B 103 -4.301 -3.942 -11.724 1.00 0.00 H new ATOM 0 H21 G B 103 -7.171 -4.968 -10.032 1.00 0.00 H new ATOM 0 H22 G B 103 -5.752 -5.432 -10.976 1.00 0.00 H new ATOM 1668 P G B 104 -12.420 1.198 -9.281 1.00 0.00 P ATOM 1669 OP1 G B 104 -13.587 0.378 -8.884 1.00 0.00 O ATOM 1670 OP2 G B 104 -12.042 1.294 -10.709 1.00 0.00 O ATOM 1671 O5' G B 104 -12.632 2.674 -8.700 1.00 0.00 O ATOM 1672 C5' G B 104 -11.887 3.763 -9.192 1.00 0.00 C ATOM 1673 C4' G B 104 -11.980 4.905 -8.182 1.00 0.00 C ATOM 1674 O4' G B 104 -10.915 4.868 -7.242 1.00 0.00 O ATOM 1675 C3' G B 104 -11.874 6.288 -8.804 1.00 0.00 C ATOM 1676 O3' G B 104 -12.919 6.699 -9.688 1.00 0.00 O ATOM 1677 C2' G B 104 -11.665 7.106 -7.537 1.00 0.00 C ATOM 1678 O2' G B 104 -12.838 7.204 -6.759 1.00 0.00 O ATOM 1679 C1' G B 104 -10.650 6.206 -6.828 1.00 0.00 C ATOM 1680 N9 G B 104 -9.305 6.667 -7.237 1.00 0.00 N ATOM 1681 C8 G B 104 -8.593 7.721 -6.731 1.00 0.00 C ATOM 1682 N7 G B 104 -7.517 8.011 -7.414 1.00 0.00 N ATOM 1683 C5 G B 104 -7.458 7.008 -8.379 1.00 0.00 C ATOM 1684 C6 G B 104 -6.480 6.746 -9.381 1.00 0.00 C ATOM 1685 O6 G B 104 -5.511 7.430 -9.705 1.00 0.00 O ATOM 1686 N1 G B 104 -6.715 5.548 -10.042 1.00 0.00 N ATOM 1687 C2 G B 104 -7.806 4.745 -9.826 1.00 0.00 C ATOM 1688 N2 G B 104 -7.884 3.632 -10.546 1.00 0.00 N ATOM 1689 N3 G B 104 -8.764 5.015 -8.946 1.00 0.00 N ATOM 1690 C4 G B 104 -8.518 6.142 -8.235 1.00 0.00 C ATOM 0 H5' G B 104 -12.274 4.081 -10.160 1.00 0.00 H new ATOM 0 H5'' G B 104 -10.847 3.474 -9.343 1.00 0.00 H new ATOM 0 H4' G B 104 -12.959 4.754 -7.727 1.00 0.00 H new ATOM 0 H3' G B 104 -11.083 6.389 -9.547 1.00 0.00 H new ATOM 0 H2' G B 104 -11.366 8.139 -7.715 1.00 0.00 H new ATOM 0 HO2' G B 104 -13.579 7.513 -7.321 1.00 0.00 H new ATOM 0 H1' G B 104 -10.713 6.247 -5.741 1.00 0.00 H new ATOM 0 H8 G B 104 -8.893 8.264 -5.847 1.00 0.00 H new ATOM 0 H1 G B 104 -6.031 5.245 -10.735 1.00 0.00 H new ATOM 0 H21 G B 104 -8.675 3.000 -10.424 1.00 0.00 H new ATOM 0 H22 G B 104 -7.153 3.409 -11.221 1.00 0.00 H new ATOM 1702 P A B 105 -14.506 6.509 -9.417 1.00 0.00 P ATOM 1703 OP1 A B 105 -14.749 5.226 -8.723 1.00 0.00 O ATOM 1704 OP2 A B 105 -15.190 6.754 -10.705 1.00 0.00 O ATOM 1705 O5' A B 105 -14.918 7.710 -8.419 1.00 0.00 O ATOM 1706 C5' A B 105 -15.729 8.778 -8.871 1.00 0.00 C ATOM 1707 C4' A B 105 -16.055 9.789 -7.757 1.00 0.00 C ATOM 1708 O4' A B 105 -17.442 9.728 -7.484 1.00 0.00 O ATOM 1709 C3' A B 105 -15.430 9.469 -6.402 1.00 0.00 C ATOM 1710 O3' A B 105 -15.666 10.565 -5.537 1.00 0.00 O ATOM 1711 C2' A B 105 -16.307 8.310 -5.950 1.00 0.00 C ATOM 1712 O2' A B 105 -16.320 8.217 -4.540 1.00 0.00 O ATOM 1713 C1' A B 105 -17.666 8.720 -6.526 1.00 0.00 C ATOM 1714 N9 A B 105 -18.409 7.597 -7.123 1.00 0.00 N ATOM 1715 C8 A B 105 -17.919 6.565 -7.869 1.00 0.00 C ATOM 1716 N7 A B 105 -18.818 5.709 -8.268 1.00 0.00 N ATOM 1717 C5 A B 105 -19.999 6.220 -7.737 1.00 0.00 C ATOM 1718 C6 A B 105 -21.341 5.798 -7.797 1.00 0.00 C ATOM 1719 N6 A B 105 -21.750 4.707 -8.449 1.00 0.00 N ATOM 1720 N1 A B 105 -22.268 6.530 -7.167 1.00 0.00 N ATOM 1721 C2 A B 105 -21.887 7.620 -6.517 1.00 0.00 C ATOM 1722 N3 A B 105 -20.672 8.129 -6.386 1.00 0.00 N ATOM 1723 C4 A B 105 -19.759 7.367 -7.033 1.00 0.00 C ATOM 0 H5' A B 105 -16.658 8.377 -9.276 1.00 0.00 H new ATOM 0 H5'' A B 105 -15.222 9.293 -9.687 1.00 0.00 H new ATOM 0 H4' A B 105 -15.679 10.741 -8.131 1.00 0.00 H new ATOM 0 H3' A B 105 -14.360 9.263 -6.421 1.00 0.00 H new ATOM 0 H2' A B 105 -15.980 7.325 -6.282 1.00 0.00 H new ATOM 0 HO2' A B 105 -16.055 9.077 -4.153 1.00 0.00 H new ATOM 0 H1' A B 105 -18.290 9.082 -5.709 1.00 0.00 H new ATOM 0 H8 A B 105 -16.871 6.465 -8.110 1.00 0.00 H new ATOM 0 H61 A B 105 -22.739 4.456 -8.454 1.00 0.00 H new ATOM 0 H62 A B 105 -21.074 4.124 -8.943 1.00 0.00 H new ATOM 0 H2 A B 105 -22.677 8.169 -6.026 1.00 0.00 H new ATOM 1735 P G B 106 -14.834 11.933 -5.650 1.00 0.00 P ATOM 1736 OP1 G B 106 -15.745 13.048 -5.312 1.00 0.00 O ATOM 1737 OP2 G B 106 -14.102 11.950 -6.932 1.00 0.00 O ATOM 1738 O5' G B 106 -13.771 11.770 -4.458 1.00 0.00 O ATOM 1739 C5' G B 106 -14.196 11.660 -3.117 1.00 0.00 C ATOM 1740 C4' G B 106 -13.720 12.825 -2.238 1.00 0.00 C ATOM 1741 O4' G B 106 -12.302 12.917 -2.201 1.00 0.00 O ATOM 1742 C3' G B 106 -14.236 14.178 -2.716 1.00 0.00 C ATOM 1743 O3' G B 106 -14.390 15.043 -1.604 1.00 0.00 O ATOM 1744 C2' G B 106 -13.126 14.589 -3.680 1.00 0.00 C ATOM 1745 O2' G B 106 -12.996 15.992 -3.793 1.00 0.00 O ATOM 1746 C1' G B 106 -11.873 13.906 -3.129 1.00 0.00 C ATOM 1747 N9 G B 106 -11.033 13.294 -4.189 1.00 0.00 N ATOM 1748 C8 G B 106 -11.351 13.013 -5.493 1.00 0.00 C ATOM 1749 N7 G B 106 -10.389 12.448 -6.172 1.00 0.00 N ATOM 1750 C5 G B 106 -9.355 12.335 -5.246 1.00 0.00 C ATOM 1751 C6 G B 106 -8.046 11.778 -5.397 1.00 0.00 C ATOM 1752 O6 G B 106 -7.541 11.257 -6.389 1.00 0.00 O ATOM 1753 N1 G B 106 -7.308 11.879 -4.227 1.00 0.00 N ATOM 1754 C2 G B 106 -7.733 12.529 -3.091 1.00 0.00 C ATOM 1755 N2 G B 106 -6.847 12.670 -2.112 1.00 0.00 N ATOM 1756 N3 G B 106 -8.961 13.029 -2.932 1.00 0.00 N ATOM 1757 C4 G B 106 -9.725 12.890 -4.045 1.00 0.00 C ATOM 0 H5' G B 106 -13.826 10.723 -2.700 1.00 0.00 H new ATOM 0 H5'' G B 106 -15.285 11.613 -3.090 1.00 0.00 H new ATOM 0 H4' G B 106 -14.121 12.603 -1.249 1.00 0.00 H new ATOM 0 H3' G B 106 -15.216 14.186 -3.194 1.00 0.00 H new ATOM 0 H2' G B 106 -13.333 14.278 -4.704 1.00 0.00 H new ATOM 0 HO2' G B 106 -12.561 16.346 -2.989 1.00 0.00 H new ATOM 0 H1' G B 106 -11.243 14.656 -2.650 1.00 0.00 H new ATOM 0 H8 G B 106 -12.316 13.240 -5.922 1.00 0.00 H new ATOM 0 H1 G B 106 -6.387 11.441 -4.207 1.00 0.00 H new ATOM 0 H21 G B 106 -7.112 13.145 -1.249 1.00 0.00 H new ATOM 0 H22 G B 106 -5.902 12.304 -2.223 1.00 0.00 H new ATOM 1769 P U B 107 -15.707 14.938 -0.670 1.00 0.00 P ATOM 1770 OP1 U B 107 -15.697 13.616 -0.010 1.00 0.00 O ATOM 1771 OP2 U B 107 -16.887 15.329 -1.475 1.00 0.00 O ATOM 1772 O5' U B 107 -15.495 16.048 0.486 1.00 0.00 O ATOM 1773 C5' U B 107 -15.663 17.436 0.246 1.00 0.00 C ATOM 1774 C4' U B 107 -14.636 17.902 -0.776 1.00 0.00 C ATOM 1775 O4' U B 107 -15.096 17.693 -2.097 1.00 0.00 O ATOM 1776 C3' U B 107 -14.260 19.384 -0.655 1.00 0.00 C ATOM 1777 O3' U B 107 -12.919 19.509 -0.256 1.00 0.00 O ATOM 1778 C2' U B 107 -14.461 19.890 -2.077 1.00 0.00 C ATOM 1779 O2' U B 107 -13.505 20.834 -2.500 1.00 0.00 O ATOM 1780 C1' U B 107 -14.406 18.616 -2.902 1.00 0.00 C ATOM 1781 N1 U B 107 -15.012 18.755 -4.245 1.00 0.00 N ATOM 1782 C2 U B 107 -16.360 19.075 -4.359 1.00 0.00 C ATOM 1783 O2 U B 107 -17.101 19.221 -3.388 1.00 0.00 O ATOM 1784 N3 U B 107 -16.847 19.227 -5.650 1.00 0.00 N ATOM 1785 C4 U B 107 -16.125 19.070 -6.815 1.00 0.00 C ATOM 1786 O4 U B 107 -16.665 19.229 -7.908 1.00 0.00 O ATOM 1787 C5 U B 107 -14.741 18.718 -6.605 1.00 0.00 C ATOM 1788 C6 U B 107 -14.236 18.572 -5.358 1.00 0.00 C ATOM 0 H5' U B 107 -15.546 17.993 1.175 1.00 0.00 H new ATOM 0 H5'' U B 107 -16.671 17.633 -0.119 1.00 0.00 H new ATOM 0 H4' U B 107 -13.752 17.302 -0.561 1.00 0.00 H new ATOM 0 H3' U B 107 -14.844 19.935 0.082 1.00 0.00 H new ATOM 0 H2' U B 107 -15.395 20.443 -2.177 1.00 0.00 H new ATOM 0 HO2' U B 107 -13.701 21.108 -3.420 1.00 0.00 H new ATOM 0 HO3' U B 107 -12.860 20.127 0.503 1.00 0.00 H new ATOM 0 H1' U B 107 -13.384 18.315 -3.130 1.00 0.00 H new ATOM 0 H3 U B 107 -17.831 19.478 -5.746 1.00 0.00 H new ATOM 0 H5 U B 107 -14.097 18.568 -7.459 1.00 0.00 H new ATOM 0 H6 U B 107 -13.196 18.305 -5.238 1.00 0.00 H new TER 1800 U B 107