USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 MET CE :methyl 161:sc= -2.38 (180deg=-4.43!) USER MOD Set 1.2: A 89 MET CE :methyl 153:sc= -0.601 (180deg=-0.266) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc=-0.00474 USER MOD Set 2.2: A 75 MET CE :methyl 176:sc= -2.09 (180deg=-2.03) USER MOD Set 3.1: A 13 MET CE :methyl 175:sc= -0.188 (180deg=-0.251) USER MOD Set 3.2: A 15 SER OG : rot 8:sc= 0.924 USER MOD Set 4.1: A 1 MET CE :methyl -160:sc= 0 (180deg=-0.245) USER MOD Set 4.2: A 3 TYR OH : rot 105:sc= 0.416 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -165:sc= 0.779 USER MOD Single : A 14 THR OG1 : rot 90:sc= -1.76 USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.396) USER MOD Single : A 20 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.4) USER MOD Single : A 22 THR OG1 : rot 130:sc= 0.0281 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 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0234 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 136:sc= 1.1 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.919 F(o=-3.1,f=-0.92) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0295) USER MOD Single : A 88 GLN : amide:sc= 0.35 K(o=0.35,f=-3.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 169:sc= 0.484 USER MOD Single : A 99 HIS : no HD1:sc= 0.0836 K(o=0.084,f=-4.2!) USER MOD Single : A 100 HIS : no HD1:sc= 0.0934 K(o=0.093,f=-1.1) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 28:sc= 0.156 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 G O2' : rot 79:sc= 1.05 USER MOD Single : B 104 G O2' : rot -54:sc= 0.122 USER MOD Single : B 105 A O2' : rot 81:sc= 0.623 USER MOD Single : B 106 G O2' : rot -28:sc= 1.14 USER MOD Single : B 107 U O2' : rot 180:sc= 0 USER MOD Single : B 107 U O3' : rot 128:sc= -0.991 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.865 11.835 6.944 1.00 0.00 N ATOM 2 CA MET A 1 -16.400 11.900 6.788 1.00 0.00 C ATOM 3 C MET A 1 -16.042 11.927 5.307 1.00 0.00 C ATOM 4 O MET A 1 -16.385 11.002 4.570 1.00 0.00 O ATOM 5 CB MET A 1 -15.735 10.728 7.515 1.00 0.00 C ATOM 6 CG MET A 1 -14.220 10.914 7.636 1.00 0.00 C ATOM 7 SD MET A 1 -13.292 10.745 6.094 1.00 0.00 S ATOM 8 CE MET A 1 -11.625 11.077 6.720 1.00 0.00 C ATOM 0 H1 MET A 1 -18.106 11.817 7.956 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.299 12.669 6.500 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.225 10.973 6.487 1.00 0.00 H new ATOM 0 HA MET A 1 -16.024 12.817 7.241 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.168 10.626 8.510 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.945 9.802 6.979 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.025 11.903 8.051 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.838 10.186 8.352 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.977 11.366 5.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.665 11.886 7.450 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.229 10.179 7.195 1.00 0.00 H new ATOM 18 N SER A 2 -15.346 12.982 4.873 1.00 0.00 N ATOM 19 CA SER A 2 -14.972 13.176 3.476 1.00 0.00 C ATOM 20 C SER A 2 -13.601 13.839 3.383 1.00 0.00 C ATOM 21 O SER A 2 -12.936 14.048 4.398 1.00 0.00 O ATOM 22 CB SER A 2 -16.014 14.043 2.769 1.00 0.00 C ATOM 23 OG SER A 2 -17.295 13.455 2.861 1.00 0.00 O ATOM 0 H SER A 2 -15.026 13.729 5.489 1.00 0.00 H new ATOM 0 HA SER A 2 -14.928 12.202 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.031 15.037 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.740 14.169 1.722 1.00 0.00 H new ATOM 0 HG SER A 2 -17.897 13.880 2.216 1.00 0.00 H new ATOM 29 N TYR A 3 -13.174 14.170 2.159 1.00 0.00 N ATOM 30 CA TYR A 3 -11.850 14.723 1.907 1.00 0.00 C ATOM 31 C TYR A 3 -11.924 15.979 1.041 1.00 0.00 C ATOM 32 O TYR A 3 -11.007 16.797 1.069 1.00 0.00 O ATOM 33 CB TYR A 3 -10.992 13.672 1.197 1.00 0.00 C ATOM 34 CG TYR A 3 -10.768 12.386 1.969 1.00 0.00 C ATOM 35 CD1 TYR A 3 -11.834 11.492 2.154 1.00 0.00 C ATOM 36 CD2 TYR A 3 -9.498 12.076 2.483 1.00 0.00 C ATOM 37 CE1 TYR A 3 -11.642 10.302 2.869 1.00 0.00 C ATOM 38 CE2 TYR A 3 -9.291 10.877 3.183 1.00 0.00 C ATOM 39 CZ TYR A 3 -10.371 9.991 3.394 1.00 0.00 C ATOM 40 OH TYR A 3 -10.195 8.841 4.104 1.00 0.00 O ATOM 0 H TYR A 3 -13.741 14.060 1.319 1.00 0.00 H new ATOM 0 HA TYR A 3 -11.407 14.995 2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.462 13.427 0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -10.022 14.113 0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.806 11.722 1.744 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.677 12.763 2.339 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.468 9.623 3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.309 10.632 3.559 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.721 8.185 3.552 1.00 0.00 H new ATOM 50 N GLY A 4 -13.004 16.147 0.273 1.00 0.00 N ATOM 51 CA GLY A 4 -13.189 17.293 -0.604 1.00 0.00 C ATOM 52 C GLY A 4 -12.386 17.166 -1.898 1.00 0.00 C ATOM 53 O GLY A 4 -11.947 18.183 -2.435 1.00 0.00 O ATOM 0 H GLY A 4 -13.778 15.483 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.247 17.397 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.890 18.201 -0.080 1.00 0.00 H new ATOM 57 N ARG A 5 -12.196 15.933 -2.389 1.00 0.00 N ATOM 58 CA ARG A 5 -11.440 15.618 -3.603 1.00 0.00 C ATOM 59 C ARG A 5 -10.238 16.549 -3.821 1.00 0.00 C ATOM 60 O ARG A 5 -10.149 17.211 -4.855 1.00 0.00 O ATOM 61 CB ARG A 5 -12.353 15.548 -4.822 1.00 0.00 C ATOM 62 CG ARG A 5 -13.211 16.791 -4.957 1.00 0.00 C ATOM 63 CD ARG A 5 -14.106 16.609 -6.168 1.00 0.00 C ATOM 64 NE ARG A 5 -13.348 16.755 -7.418 1.00 0.00 N ATOM 65 CZ ARG A 5 -13.347 15.882 -8.431 1.00 0.00 C ATOM 66 NH1 ARG A 5 -14.079 14.775 -8.399 1.00 0.00 N ATOM 67 NH2 ARG A 5 -12.594 16.125 -9.500 1.00 0.00 N ATOM 0 H ARG A 5 -12.578 15.103 -1.935 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.014 14.625 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.749 15.424 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.995 14.670 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.810 16.941 -4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.585 17.676 -5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.571 15.624 -6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.912 17.342 -6.141 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.775 17.592 -7.522 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.662 14.572 -7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.058 14.127 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.025 16.970 -9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.586 15.466 -10.278 1.00 0.00 H new ATOM 81 N PRO A 6 -9.309 16.616 -2.854 1.00 0.00 N ATOM 82 CA PRO A 6 -8.192 17.545 -2.892 1.00 0.00 C ATOM 83 C PRO A 6 -7.231 17.178 -4.019 1.00 0.00 C ATOM 84 O PRO A 6 -7.124 16.004 -4.383 1.00 0.00 O ATOM 85 CB PRO A 6 -7.529 17.423 -1.520 1.00 0.00 C ATOM 86 CG PRO A 6 -7.878 16.004 -1.080 1.00 0.00 C ATOM 87 CD PRO A 6 -9.269 15.790 -1.666 1.00 0.00 C ATOM 0 HA PRO A 6 -8.507 18.570 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.451 17.570 -1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.913 18.166 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.163 15.276 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.879 15.908 0.006 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.437 14.741 -1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.044 16.081 -0.957 1.00 0.00 H new ATOM 95 N PRO A 7 -6.526 18.163 -4.586 1.00 0.00 N ATOM 96 CA PRO A 7 -5.581 17.953 -5.665 1.00 0.00 C ATOM 97 C PRO A 7 -4.321 17.257 -5.148 1.00 0.00 C ATOM 98 O PRO A 7 -3.658 17.773 -4.247 1.00 0.00 O ATOM 99 CB PRO A 7 -5.271 19.356 -6.193 1.00 0.00 C ATOM 100 CG PRO A 7 -5.463 20.248 -4.968 1.00 0.00 C ATOM 101 CD PRO A 7 -6.603 19.562 -4.214 1.00 0.00 C ATOM 0 HA PRO A 7 -5.979 17.309 -6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.255 19.423 -6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.943 19.637 -7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.557 20.304 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.723 21.269 -5.249 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.493 19.688 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.568 19.989 -4.488 1.00 0.00 H new ATOM 109 N PRO A 8 -3.979 16.089 -5.707 1.00 0.00 N ATOM 110 CA PRO A 8 -2.775 15.351 -5.364 1.00 0.00 C ATOM 111 C PRO A 8 -1.564 15.933 -6.098 1.00 0.00 C ATOM 112 O PRO A 8 -1.641 17.017 -6.675 1.00 0.00 O ATOM 113 CB PRO A 8 -3.077 13.926 -5.815 1.00 0.00 C ATOM 114 CG PRO A 8 -3.904 14.147 -7.080 1.00 0.00 C ATOM 115 CD PRO A 8 -4.736 15.380 -6.726 1.00 0.00 C ATOM 0 HA PRO A 8 -2.528 15.400 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.166 13.363 -6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.632 13.370 -5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.273 14.321 -7.951 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.533 13.286 -7.309 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.896 16.008 -7.602 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.720 15.094 -6.354 1.00 0.00 H new ATOM 123 N ASP A 9 -0.441 15.211 -6.076 1.00 0.00 N ATOM 124 CA ASP A 9 0.806 15.635 -6.704 1.00 0.00 C ATOM 125 C ASP A 9 1.361 14.518 -7.591 1.00 0.00 C ATOM 126 O ASP A 9 2.576 14.409 -7.780 1.00 0.00 O ATOM 127 CB ASP A 9 1.814 16.033 -5.622 1.00 0.00 C ATOM 128 CG ASP A 9 1.315 17.217 -4.799 1.00 0.00 C ATOM 129 OD1 ASP A 9 1.473 18.362 -5.276 1.00 0.00 O ATOM 130 OD2 ASP A 9 0.779 16.966 -3.696 1.00 0.00 O ATOM 0 H ASP A 9 -0.375 14.304 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 9 0.617 16.501 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.997 15.183 -4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.766 16.288 -6.087 1.00 0.00 H new ATOM 135 N VAL A 10 0.464 13.688 -8.139 1.00 0.00 N ATOM 136 CA VAL A 10 0.798 12.537 -8.972 1.00 0.00 C ATOM 137 C VAL A 10 1.651 12.916 -10.182 1.00 0.00 C ATOM 138 O VAL A 10 2.205 12.042 -10.844 1.00 0.00 O ATOM 139 CB VAL A 10 -0.481 11.835 -9.446 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.375 11.461 -8.265 1.00 0.00 C ATOM 141 CG2 VAL A 10 -1.290 12.730 -10.390 1.00 0.00 C ATOM 0 H VAL A 10 -0.541 13.806 -8.008 1.00 0.00 H new ATOM 0 HA VAL A 10 1.387 11.861 -8.353 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.165 10.934 -9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.274 10.965 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.835 10.788 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.655 12.363 -7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.190 12.204 -10.708 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.570 13.647 -9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.686 12.977 -11.263 1.00 0.00 H new ATOM 151 N GLU A 11 1.755 14.214 -10.470 1.00 0.00 N ATOM 152 CA GLU A 11 2.508 14.744 -11.594 1.00 0.00 C ATOM 153 C GLU A 11 4.020 14.554 -11.442 1.00 0.00 C ATOM 154 O GLU A 11 4.773 14.945 -12.334 1.00 0.00 O ATOM 155 CB GLU A 11 2.172 16.228 -11.756 1.00 0.00 C ATOM 156 CG GLU A 11 2.514 17.020 -10.492 1.00 0.00 C ATOM 157 CD GLU A 11 2.229 18.511 -10.682 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.066 18.916 -10.459 1.00 0.00 O ATOM 159 OE2 GLU A 11 3.178 19.237 -11.057 1.00 0.00 O ATOM 0 H GLU A 11 1.305 14.939 -9.911 1.00 0.00 H new ATOM 0 HA GLU A 11 2.218 14.186 -12.484 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.723 16.637 -12.603 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.111 16.340 -11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.932 16.640 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.565 16.876 -10.243 1.00 0.00 H new ATOM 166 N GLY A 12 4.481 13.964 -10.332 1.00 0.00 N ATOM 167 CA GLY A 12 5.906 13.796 -10.098 1.00 0.00 C ATOM 168 C GLY A 12 6.221 12.884 -8.917 1.00 0.00 C ATOM 169 O GLY A 12 7.266 13.059 -8.287 1.00 0.00 O ATOM 0 H GLY A 12 3.885 13.599 -9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.369 13.388 -10.997 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.356 14.773 -9.923 1.00 0.00 H new ATOM 173 N MET A 13 5.351 11.914 -8.598 1.00 0.00 N ATOM 174 CA MET A 13 5.596 11.007 -7.479 1.00 0.00 C ATOM 175 C MET A 13 5.092 9.592 -7.765 1.00 0.00 C ATOM 176 O MET A 13 4.336 9.377 -8.713 1.00 0.00 O ATOM 177 CB MET A 13 4.990 11.600 -6.202 1.00 0.00 C ATOM 178 CG MET A 13 3.471 11.756 -6.233 1.00 0.00 C ATOM 179 SD MET A 13 2.522 10.217 -6.124 1.00 0.00 S ATOM 180 CE MET A 13 0.981 10.856 -5.417 1.00 0.00 C ATOM 0 H MET A 13 4.479 11.742 -9.098 1.00 0.00 H new ATOM 0 HA MET A 13 6.672 10.908 -7.335 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.260 10.965 -5.358 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.439 12.577 -6.022 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.174 12.404 -5.408 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.195 12.267 -7.155 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.245 10.054 -5.364 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.172 11.240 -4.415 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.597 11.659 -6.046 1.00 0.00 H new ATOM 190 N THR A 14 5.513 8.631 -6.936 1.00 0.00 N ATOM 191 CA THR A 14 5.191 7.216 -7.100 1.00 0.00 C ATOM 192 C THR A 14 3.824 6.890 -6.519 1.00 0.00 C ATOM 193 O THR A 14 3.708 6.546 -5.345 1.00 0.00 O ATOM 194 CB THR A 14 6.234 6.348 -6.410 1.00 0.00 C ATOM 195 OG1 THR A 14 7.493 6.619 -6.975 1.00 0.00 O ATOM 196 CG2 THR A 14 5.906 4.867 -6.605 1.00 0.00 C ATOM 0 H THR A 14 6.096 8.821 -6.121 1.00 0.00 H new ATOM 0 HA THR A 14 5.183 7.008 -8.170 1.00 0.00 H new ATOM 0 HB THR A 14 6.239 6.571 -5.343 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.923 7.348 -6.481 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.660 4.259 -6.106 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.926 4.652 -6.178 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.897 4.633 -7.670 1.00 0.00 H new ATOM 203 N SER A 15 2.797 7.001 -7.356 1.00 0.00 N ATOM 204 CA SER A 15 1.423 6.681 -7.001 1.00 0.00 C ATOM 205 C SER A 15 1.272 5.187 -6.756 1.00 0.00 C ATOM 206 O SER A 15 0.910 4.443 -7.669 1.00 0.00 O ATOM 207 CB SER A 15 0.474 7.112 -8.120 1.00 0.00 C ATOM 208 OG SER A 15 0.372 8.521 -8.154 1.00 0.00 O ATOM 0 H SER A 15 2.901 7.322 -8.318 1.00 0.00 H new ATOM 0 HA SER A 15 1.171 7.219 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.838 6.743 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.511 6.672 -7.962 1.00 0.00 H new ATOM 0 HG SER A 15 1.027 8.911 -7.539 1.00 0.00 H new ATOM 214 N LEU A 16 1.547 4.724 -5.535 1.00 0.00 N ATOM 215 CA LEU A 16 1.272 3.322 -5.227 1.00 0.00 C ATOM 216 C LEU A 16 -0.239 3.137 -5.154 1.00 0.00 C ATOM 217 O LEU A 16 -0.962 4.122 -5.029 1.00 0.00 O ATOM 218 CB LEU A 16 1.890 2.923 -3.883 1.00 0.00 C ATOM 219 CG LEU A 16 1.820 1.411 -3.600 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.663 0.625 -4.598 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.321 1.131 -2.185 1.00 0.00 C ATOM 0 H LEU A 16 1.943 5.273 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 16 1.707 2.694 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.933 3.241 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.378 3.458 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 16 0.782 1.094 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.594 -0.439 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.295 0.807 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.703 0.944 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.271 0.060 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.353 1.470 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.698 1.663 -1.466 1.00 0.00 H new ATOM 233 N LYS A 17 -0.687 1.885 -5.233 1.00 0.00 N ATOM 234 CA LYS A 17 -2.076 1.500 -5.027 1.00 0.00 C ATOM 235 C LYS A 17 -2.164 0.287 -4.106 1.00 0.00 C ATOM 236 O LYS A 17 -1.323 -0.608 -4.169 1.00 0.00 O ATOM 237 CB LYS A 17 -2.715 1.193 -6.383 1.00 0.00 C ATOM 238 CG LYS A 17 -4.143 0.680 -6.199 1.00 0.00 C ATOM 239 CD LYS A 17 -4.769 0.302 -7.542 1.00 0.00 C ATOM 240 CE LYS A 17 -4.048 -0.879 -8.195 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.066 -2.075 -7.328 1.00 0.00 N ATOM 0 H LYS A 17 -0.078 1.095 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.613 2.321 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.722 2.092 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.120 0.448 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.139 -0.187 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.748 1.446 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.819 0.050 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.738 1.161 -8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.522 -1.113 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.016 -0.601 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.787 -2.910 -7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.399 -1.943 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.025 -2.215 -6.950 1.00 0.00 H new ATOM 255 N VAL A 18 -3.195 0.256 -3.253 1.00 0.00 N ATOM 256 CA VAL A 18 -3.504 -0.888 -2.395 1.00 0.00 C ATOM 257 C VAL A 18 -4.990 -1.214 -2.526 1.00 0.00 C ATOM 258 O VAL A 18 -5.797 -0.302 -2.705 1.00 0.00 O ATOM 259 CB VAL A 18 -3.240 -0.540 -0.928 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.660 -1.701 -0.028 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.769 -0.211 -0.680 1.00 0.00 C ATOM 0 H VAL A 18 -3.844 1.035 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.881 -1.729 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.831 0.345 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.468 -1.442 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.723 -1.899 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.089 -2.591 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.623 0.031 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.154 -1.072 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.479 0.643 -1.292 1.00 0.00 H new ATOM 271 N ASP A 19 -5.332 -2.505 -2.431 1.00 0.00 N ATOM 272 CA ASP A 19 -6.692 -3.035 -2.492 1.00 0.00 C ATOM 273 C ASP A 19 -6.801 -4.325 -1.668 1.00 0.00 C ATOM 274 O ASP A 19 -5.880 -4.674 -0.931 1.00 0.00 O ATOM 275 CB ASP A 19 -7.046 -3.342 -3.951 1.00 0.00 C ATOM 276 CG ASP A 19 -7.097 -2.088 -4.814 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.974 -1.241 -4.539 1.00 0.00 O ATOM 278 OD2 ASP A 19 -6.261 -1.991 -5.739 1.00 0.00 O ATOM 0 H ASP A 19 -4.634 -3.238 -2.304 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.379 -2.294 -2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.310 -4.033 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.012 -3.845 -3.989 1.00 0.00 H new ATOM 283 N ASN A 20 -7.933 -5.036 -1.804 1.00 0.00 N ATOM 284 CA ASN A 20 -8.174 -6.376 -1.259 1.00 0.00 C ATOM 285 C ASN A 20 -8.603 -6.371 0.216 1.00 0.00 C ATOM 286 O ASN A 20 -8.361 -7.342 0.927 1.00 0.00 O ATOM 287 CB ASN A 20 -6.961 -7.279 -1.507 1.00 0.00 C ATOM 288 CG ASN A 20 -7.307 -8.525 -2.306 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.158 -8.502 -3.189 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.640 -9.629 -1.991 1.00 0.00 N ATOM 0 H ASN A 20 -8.736 -4.675 -2.319 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.027 -6.789 -1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.195 -6.713 -2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.532 -7.575 -0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.828 -10.498 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.939 -9.608 -1.250 1.00 0.00 H new ATOM 297 N LEU A 21 -9.232 -5.286 0.672 1.00 0.00 N ATOM 298 CA LEU A 21 -9.676 -5.127 2.050 1.00 0.00 C ATOM 299 C LEU A 21 -10.531 -6.315 2.460 1.00 0.00 C ATOM 300 O LEU A 21 -11.538 -6.620 1.820 1.00 0.00 O ATOM 301 CB LEU A 21 -10.487 -3.835 2.189 1.00 0.00 C ATOM 302 CG LEU A 21 -9.652 -2.552 2.194 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.212 -2.262 3.624 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.406 -2.614 1.311 1.00 0.00 C ATOM 0 H LEU A 21 -9.449 -4.483 0.082 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.803 -5.075 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.204 -3.782 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.062 -3.881 3.114 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.289 -1.767 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.616 -1.350 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.091 -2.134 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.615 -3.094 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.870 -1.666 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.757 -3.420 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.701 -2.800 0.278 1.00 0.00 H new ATOM 316 N THR A 22 -10.123 -6.986 3.534 1.00 0.00 N ATOM 317 CA THR A 22 -10.836 -8.137 4.048 1.00 0.00 C ATOM 318 C THR A 22 -12.140 -7.688 4.711 1.00 0.00 C ATOM 319 O THR A 22 -12.341 -6.496 4.946 1.00 0.00 O ATOM 320 CB THR A 22 -9.915 -8.878 5.025 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.643 -9.024 4.439 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.433 -10.270 5.374 1.00 0.00 C ATOM 0 H THR A 22 -9.289 -6.742 4.067 1.00 0.00 H new ATOM 0 HA THR A 22 -11.107 -8.819 3.242 1.00 0.00 H new ATOM 0 HB THR A 22 -9.874 -8.287 5.940 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.956 -8.720 5.069 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.744 -10.751 6.068 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.416 -10.187 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.509 -10.868 4.466 1.00 0.00 H new ATOM 329 N TYR A 23 -13.032 -8.636 5.019 1.00 0.00 N ATOM 330 CA TYR A 23 -14.326 -8.380 5.648 1.00 0.00 C ATOM 331 C TYR A 23 -14.204 -7.813 7.066 1.00 0.00 C ATOM 332 O TYR A 23 -15.205 -7.715 7.777 1.00 0.00 O ATOM 333 CB TYR A 23 -15.127 -9.679 5.664 1.00 0.00 C ATOM 334 CG TYR A 23 -14.497 -10.771 6.502 1.00 0.00 C ATOM 335 CD1 TYR A 23 -13.534 -11.622 5.944 1.00 0.00 C ATOM 336 CD2 TYR A 23 -14.876 -10.925 7.843 1.00 0.00 C ATOM 337 CE1 TYR A 23 -12.952 -12.635 6.723 1.00 0.00 C ATOM 338 CE2 TYR A 23 -14.295 -11.928 8.632 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.331 -12.789 8.072 1.00 0.00 C ATOM 340 OH TYR A 23 -12.764 -13.771 8.833 1.00 0.00 O ATOM 0 H TYR A 23 -12.867 -9.625 4.832 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.838 -7.618 5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.128 -9.474 6.043 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.241 -10.038 4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.239 -11.499 4.913 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -15.619 -10.268 8.270 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.215 -13.295 6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -14.586 -12.040 9.666 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.136 -13.738 9.739 1.00 0.00 H new ATOM 350 N ARG A 24 -12.990 -7.434 7.486 1.00 0.00 N ATOM 351 CA ARG A 24 -12.689 -6.980 8.839 1.00 0.00 C ATOM 352 C ARG A 24 -11.809 -5.728 8.825 1.00 0.00 C ATOM 353 O ARG A 24 -11.189 -5.400 9.836 1.00 0.00 O ATOM 354 CB ARG A 24 -11.981 -8.129 9.559 1.00 0.00 C ATOM 355 CG ARG A 24 -10.660 -8.441 8.851 1.00 0.00 C ATOM 356 CD ARG A 24 -10.081 -9.744 9.379 1.00 0.00 C ATOM 357 NE ARG A 24 -8.823 -10.074 8.697 1.00 0.00 N ATOM 358 CZ ARG A 24 -7.840 -10.800 9.235 1.00 0.00 C ATOM 359 NH1 ARG A 24 -7.948 -11.288 10.469 1.00 0.00 N ATOM 360 NH2 ARG A 24 -6.743 -11.035 8.530 1.00 0.00 N ATOM 0 H ARG A 24 -12.173 -7.437 6.875 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.610 -6.709 9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.794 -7.860 10.599 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.618 -9.013 9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.823 -8.515 7.776 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.952 -7.628 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.907 -9.661 10.452 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.800 -10.551 9.235 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.691 -9.725 7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.790 -11.109 11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.189 -11.841 10.867 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.655 -10.662 7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.987 -11.589 8.933 1.00 0.00 H new ATOM 374 N THR A 25 -11.750 -5.032 7.686 1.00 0.00 N ATOM 375 CA THR A 25 -10.843 -3.906 7.498 1.00 0.00 C ATOM 376 C THR A 25 -11.598 -2.648 7.061 1.00 0.00 C ATOM 377 O THR A 25 -12.740 -2.722 6.609 1.00 0.00 O ATOM 378 CB THR A 25 -9.768 -4.292 6.477 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.393 -5.646 6.646 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.513 -3.437 6.659 1.00 0.00 C ATOM 0 H THR A 25 -12.330 -5.236 6.872 1.00 0.00 H new ATOM 0 HA THR A 25 -10.365 -3.672 8.449 1.00 0.00 H new ATOM 0 HB THR A 25 -10.189 -4.132 5.484 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.707 -5.880 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.764 -3.729 5.923 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.766 -2.386 6.522 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.114 -3.586 7.662 1.00 0.00 H new ATOM 387 N SER A 26 -10.948 -1.488 7.200 1.00 0.00 N ATOM 388 CA SER A 26 -11.526 -0.173 6.929 1.00 0.00 C ATOM 389 C SER A 26 -10.420 0.767 6.438 1.00 0.00 C ATOM 390 O SER A 26 -9.241 0.463 6.617 1.00 0.00 O ATOM 391 CB SER A 26 -12.133 0.362 8.230 1.00 0.00 C ATOM 392 OG SER A 26 -13.158 -0.500 8.683 1.00 0.00 O ATOM 0 H SER A 26 -9.978 -1.439 7.513 1.00 0.00 H new ATOM 0 HA SER A 26 -12.299 -0.241 6.163 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.358 0.449 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.535 1.362 8.068 1.00 0.00 H new ATOM 0 HG SER A 26 -13.537 -0.148 9.516 1.00 0.00 H new ATOM 398 N PRO A 27 -10.759 1.910 5.824 1.00 0.00 N ATOM 399 CA PRO A 27 -9.765 2.811 5.251 1.00 0.00 C ATOM 400 C PRO A 27 -8.931 3.493 6.333 1.00 0.00 C ATOM 401 O PRO A 27 -7.767 3.804 6.097 1.00 0.00 O ATOM 402 CB PRO A 27 -10.552 3.835 4.438 1.00 0.00 C ATOM 403 CG PRO A 27 -11.927 3.846 5.110 1.00 0.00 C ATOM 404 CD PRO A 27 -12.101 2.417 5.612 1.00 0.00 C ATOM 0 HA PRO A 27 -9.055 2.265 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.083 4.818 4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.620 3.547 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.966 4.565 5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.713 4.121 4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.679 2.394 6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.639 1.809 4.885 1.00 0.00 H new ATOM 412 N ASP A 28 -9.506 3.728 7.512 1.00 0.00 N ATOM 413 CA ASP A 28 -8.755 4.360 8.589 1.00 0.00 C ATOM 414 C ASP A 28 -7.638 3.434 9.057 1.00 0.00 C ATOM 415 O ASP A 28 -6.554 3.889 9.420 1.00 0.00 O ATOM 416 CB ASP A 28 -9.679 4.677 9.763 1.00 0.00 C ATOM 417 CG ASP A 28 -8.954 5.500 10.824 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.649 6.676 10.532 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.711 4.944 11.920 1.00 0.00 O ATOM 0 H ASP A 28 -10.472 3.494 7.741 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.323 5.288 8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.551 5.225 9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.044 3.749 10.204 1.00 0.00 H new ATOM 424 N THR A 29 -7.904 2.124 9.044 1.00 0.00 N ATOM 425 CA THR A 29 -6.903 1.140 9.408 1.00 0.00 C ATOM 426 C THR A 29 -5.896 1.018 8.278 1.00 0.00 C ATOM 427 O THR A 29 -4.696 0.980 8.524 1.00 0.00 O ATOM 428 CB THR A 29 -7.571 -0.210 9.679 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.496 -0.075 10.734 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.514 -1.237 10.065 1.00 0.00 C ATOM 0 H THR A 29 -8.808 1.729 8.784 1.00 0.00 H new ATOM 0 HA THR A 29 -6.389 1.455 10.316 1.00 0.00 H new ATOM 0 HB THR A 29 -8.088 -0.542 8.779 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.925 -0.939 10.906 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.993 -2.197 10.257 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.798 -1.345 9.251 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.994 -0.904 10.964 1.00 0.00 H new ATOM 437 N LEU A 30 -6.360 0.960 7.031 1.00 0.00 N ATOM 438 CA LEU A 30 -5.457 0.885 5.894 1.00 0.00 C ATOM 439 C LEU A 30 -4.484 2.061 5.905 1.00 0.00 C ATOM 440 O LEU A 30 -3.414 1.978 5.308 1.00 0.00 O ATOM 441 CB LEU A 30 -6.277 0.856 4.597 1.00 0.00 C ATOM 442 CG LEU A 30 -6.034 -0.390 3.738 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.656 -0.343 3.090 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.139 -1.679 4.551 1.00 0.00 C ATOM 0 H LEU A 30 -7.350 0.964 6.787 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.867 -0.029 5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.336 0.912 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.041 1.743 4.009 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.810 -0.390 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.507 -1.238 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.582 0.540 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.891 -0.297 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.959 -2.535 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.396 -1.667 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.136 -1.756 4.984 1.00 0.00 H new ATOM 456 N ARG A 31 -4.844 3.155 6.583 1.00 0.00 N ATOM 457 CA ARG A 31 -4.003 4.336 6.649 1.00 0.00 C ATOM 458 C ARG A 31 -2.906 4.101 7.674 1.00 0.00 C ATOM 459 O ARG A 31 -1.728 4.188 7.342 1.00 0.00 O ATOM 460 CB ARG A 31 -4.859 5.540 7.051 1.00 0.00 C ATOM 461 CG ARG A 31 -4.254 6.879 6.608 1.00 0.00 C ATOM 462 CD ARG A 31 -2.853 7.134 7.172 1.00 0.00 C ATOM 463 NE ARG A 31 -2.428 8.514 6.921 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.745 9.555 7.693 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.490 9.400 8.787 1.00 0.00 N ATOM 466 NH2 ARG A 31 -2.314 10.772 7.367 1.00 0.00 N ATOM 0 H ARG A 31 -5.722 3.239 7.096 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.549 4.534 5.678 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.853 5.434 6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.985 5.545 8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.209 6.906 5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.915 7.688 6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.848 6.938 8.244 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.143 6.443 6.718 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.850 8.691 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.828 8.473 9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.722 10.208 9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.745 10.904 6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.553 11.572 7.953 1.00 0.00 H new ATOM 480 N ARG A 32 -3.285 3.806 8.922 1.00 0.00 N ATOM 481 CA ARG A 32 -2.312 3.614 9.990 1.00 0.00 C ATOM 482 C ARG A 32 -1.399 2.426 9.684 1.00 0.00 C ATOM 483 O ARG A 32 -0.238 2.405 10.087 1.00 0.00 O ATOM 484 CB ARG A 32 -3.049 3.393 11.318 1.00 0.00 C ATOM 485 CG ARG A 32 -3.386 1.912 11.485 1.00 0.00 C ATOM 486 CD ARG A 32 -4.228 1.657 12.713 1.00 0.00 C ATOM 487 NE ARG A 32 -3.493 1.955 13.945 1.00 0.00 N ATOM 488 CZ ARG A 32 -4.009 1.824 15.174 1.00 0.00 C ATOM 489 NH1 ARG A 32 -5.260 1.406 15.346 1.00 0.00 N ATOM 490 NH2 ARG A 32 -3.270 2.113 16.240 1.00 0.00 N ATOM 0 H ARG A 32 -4.257 3.696 9.212 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.690 4.506 10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.429 3.730 12.149 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.962 3.988 11.341 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.918 1.560 10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.463 1.336 11.552 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.129 2.269 12.670 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.550 0.616 12.724 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.530 2.282 13.862 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.838 1.181 14.537 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.641 1.310 16.287 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.309 2.435 16.122 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.664 2.013 17.176 1.00 0.00 H new ATOM 504 N VAL A 33 -1.942 1.435 8.967 1.00 0.00 N ATOM 505 CA VAL A 33 -1.239 0.191 8.701 1.00 0.00 C ATOM 506 C VAL A 33 -0.198 0.393 7.607 1.00 0.00 C ATOM 507 O VAL A 33 0.840 -0.259 7.625 1.00 0.00 O ATOM 508 CB VAL A 33 -2.249 -0.882 8.286 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.557 -2.129 7.757 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.077 -1.284 9.503 1.00 0.00 C ATOM 0 H VAL A 33 -2.876 1.480 8.560 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.723 -0.132 9.605 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.875 -0.464 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.306 -2.868 7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.955 -1.869 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.914 -2.545 8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.799 -2.048 9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.419 -1.679 10.276 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.606 -0.412 9.888 1.00 0.00 H new ATOM 520 N PHE A 34 -0.463 1.291 6.651 1.00 0.00 N ATOM 521 CA PHE A 34 0.465 1.571 5.565 1.00 0.00 C ATOM 522 C PHE A 34 1.271 2.852 5.795 1.00 0.00 C ATOM 523 O PHE A 34 2.241 3.106 5.084 1.00 0.00 O ATOM 524 CB PHE A 34 -0.325 1.622 4.259 1.00 0.00 C ATOM 525 CG PHE A 34 -0.500 0.265 3.619 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.486 -0.612 4.088 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.325 -0.122 2.552 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.654 -1.867 3.487 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.157 -1.379 1.953 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.833 -2.252 2.418 1.00 0.00 C ATOM 0 H PHE A 34 -1.323 1.838 6.614 1.00 0.00 H new ATOM 0 HA PHE A 34 1.205 0.772 5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.306 2.056 4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.184 2.284 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.118 -0.321 4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.091 0.549 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.418 -2.539 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.793 -1.674 1.131 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.964 -3.219 1.955 1.00 0.00 H new ATOM 540 N GLU A 35 0.896 3.669 6.779 1.00 0.00 N ATOM 541 CA GLU A 35 1.613 4.897 7.090 1.00 0.00 C ATOM 542 C GLU A 35 2.985 4.591 7.691 1.00 0.00 C ATOM 543 O GLU A 35 3.907 5.399 7.569 1.00 0.00 O ATOM 544 CB GLU A 35 0.763 5.714 8.063 1.00 0.00 C ATOM 545 CG GLU A 35 1.467 6.991 8.522 1.00 0.00 C ATOM 546 CD GLU A 35 0.528 7.866 9.352 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.074 7.383 10.412 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.274 9.013 8.922 1.00 0.00 O ATOM 0 H GLU A 35 0.089 3.496 7.379 1.00 0.00 H new ATOM 0 HA GLU A 35 1.782 5.467 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.181 5.975 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.522 5.103 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.347 6.734 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.818 7.549 7.654 1.00 0.00 H new ATOM 555 N LYS A 36 3.128 3.430 8.339 1.00 0.00 N ATOM 556 CA LYS A 36 4.376 3.044 8.983 1.00 0.00 C ATOM 557 C LYS A 36 5.487 2.789 7.968 1.00 0.00 C ATOM 558 O LYS A 36 6.662 2.889 8.317 1.00 0.00 O ATOM 559 CB LYS A 36 4.134 1.797 9.838 1.00 0.00 C ATOM 560 CG LYS A 36 3.750 0.597 8.967 1.00 0.00 C ATOM 561 CD LYS A 36 3.364 -0.612 9.818 1.00 0.00 C ATOM 562 CE LYS A 36 2.103 -0.323 10.630 1.00 0.00 C ATOM 563 NZ LYS A 36 1.700 -1.501 11.419 1.00 0.00 N ATOM 0 H LYS A 36 2.383 2.739 8.428 1.00 0.00 H new ATOM 0 HA LYS A 36 4.706 3.869 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.033 1.563 10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.341 1.995 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.916 0.868 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.586 0.335 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.198 -1.477 9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.184 -0.867 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.281 0.521 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.293 -0.035 9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.841 -1.278 11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.509 -2.298 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.466 -1.759 12.074 1.00 0.00 H new ATOM 577 N TYR A 37 5.124 2.463 6.726 1.00 0.00 N ATOM 578 CA TYR A 37 6.091 2.214 5.664 1.00 0.00 C ATOM 579 C TYR A 37 6.677 3.515 5.121 1.00 0.00 C ATOM 580 O TYR A 37 7.708 3.494 4.456 1.00 0.00 O ATOM 581 CB TYR A 37 5.432 1.409 4.543 1.00 0.00 C ATOM 582 CG TYR A 37 5.037 0.023 4.993 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.833 -0.167 5.688 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.879 -1.065 4.728 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.481 -1.447 6.139 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.530 -2.347 5.176 1.00 0.00 C ATOM 587 CZ TYR A 37 4.337 -2.542 5.893 1.00 0.00 C ATOM 588 OH TYR A 37 4.019 -3.788 6.343 1.00 0.00 O ATOM 0 H TYR A 37 4.152 2.365 6.432 1.00 0.00 H new ATOM 0 HA TYR A 37 6.916 1.637 6.082 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.548 1.940 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.119 1.334 3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.178 0.671 5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.797 -0.916 4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.555 -1.595 6.675 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.179 -3.186 4.970 1.00 0.00 H new ATOM 0 HH TYR A 37 4.722 -4.419 6.082 1.00 0.00 H new ATOM 598 N GLY A 38 6.035 4.654 5.402 1.00 0.00 N ATOM 599 CA GLY A 38 6.574 5.946 5.010 1.00 0.00 C ATOM 600 C GLY A 38 5.520 7.039 5.111 1.00 0.00 C ATOM 601 O GLY A 38 5.469 7.766 6.106 1.00 0.00 O ATOM 0 H GLY A 38 5.145 4.700 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.423 6.196 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.947 5.891 3.987 1.00 0.00 H new ATOM 605 N ARG A 39 4.674 7.156 4.084 1.00 0.00 N ATOM 606 CA ARG A 39 3.580 8.120 4.067 1.00 0.00 C ATOM 607 C ARG A 39 2.503 7.708 3.071 1.00 0.00 C ATOM 608 O ARG A 39 2.722 6.852 2.221 1.00 0.00 O ATOM 609 CB ARG A 39 4.104 9.529 3.779 1.00 0.00 C ATOM 610 CG ARG A 39 5.096 9.595 2.619 1.00 0.00 C ATOM 611 CD ARG A 39 5.411 11.063 2.309 1.00 0.00 C ATOM 612 NE ARG A 39 6.054 11.725 3.449 1.00 0.00 N ATOM 613 CZ ARG A 39 7.372 11.709 3.687 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.209 11.073 2.874 1.00 0.00 N ATOM 615 NH2 ARG A 39 7.857 12.337 4.753 1.00 0.00 N ATOM 0 H ARG A 39 4.732 6.583 3.242 1.00 0.00 H new ATOM 0 HA ARG A 39 3.121 8.133 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.260 10.182 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.584 9.918 4.677 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.011 9.061 2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.678 9.106 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.063 11.120 1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.491 11.588 2.053 1.00 0.00 H new ATOM 0 HE ARG A 39 5.458 12.231 4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.851 10.586 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.210 11.072 3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.226 12.829 5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.860 12.327 4.938 1.00 0.00 H new ATOM 629 N VAL A 40 1.334 8.342 3.195 1.00 0.00 N ATOM 630 CA VAL A 40 0.153 8.041 2.394 1.00 0.00 C ATOM 631 C VAL A 40 -0.415 9.357 1.874 1.00 0.00 C ATOM 632 O VAL A 40 -0.730 10.250 2.659 1.00 0.00 O ATOM 633 CB VAL A 40 -0.882 7.305 3.267 1.00 0.00 C ATOM 634 CG1 VAL A 40 -2.212 7.131 2.538 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.362 5.921 3.666 1.00 0.00 C ATOM 0 H VAL A 40 1.183 9.093 3.869 1.00 0.00 H new ATOM 0 HA VAL A 40 0.408 7.398 1.552 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.041 7.917 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.916 6.608 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.616 8.110 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.055 6.551 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.106 5.416 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.173 5.331 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.564 6.029 4.231 1.00 0.00 H new ATOM 645 N GLY A 41 -0.543 9.477 0.552 1.00 0.00 N ATOM 646 CA GLY A 41 -1.088 10.675 -0.061 1.00 0.00 C ATOM 647 C GLY A 41 -2.606 10.619 -0.069 1.00 0.00 C ATOM 648 O GLY A 41 -3.262 11.660 -0.117 1.00 0.00 O ATOM 0 H GLY A 41 -0.273 8.752 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.753 11.556 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.715 10.772 -1.081 1.00 0.00 H new ATOM 652 N ASP A 42 -3.165 9.411 -0.013 1.00 0.00 N ATOM 653 CA ASP A 42 -4.599 9.225 0.081 1.00 0.00 C ATOM 654 C ASP A 42 -4.936 7.799 0.504 1.00 0.00 C ATOM 655 O ASP A 42 -4.154 6.874 0.298 1.00 0.00 O ATOM 656 CB ASP A 42 -5.236 9.514 -1.283 1.00 0.00 C ATOM 657 CG ASP A 42 -6.753 9.426 -1.212 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.312 9.904 -0.202 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.345 8.885 -2.172 1.00 0.00 O ATOM 0 H ASP A 42 -2.633 8.541 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.991 9.911 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.942 10.508 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.862 8.803 -2.020 1.00 0.00 H new ATOM 664 N VAL A 43 -6.116 7.634 1.099 1.00 0.00 N ATOM 665 CA VAL A 43 -6.685 6.358 1.489 1.00 0.00 C ATOM 666 C VAL A 43 -8.191 6.515 1.340 1.00 0.00 C ATOM 667 O VAL A 43 -8.779 7.436 1.905 1.00 0.00 O ATOM 668 CB VAL A 43 -6.248 5.997 2.911 1.00 0.00 C ATOM 669 CG1 VAL A 43 -6.637 7.063 3.935 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.828 4.654 3.330 1.00 0.00 C ATOM 0 H VAL A 43 -6.722 8.422 1.329 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.340 5.532 0.867 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.160 5.937 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.303 6.755 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.166 8.010 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.720 7.185 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.504 4.418 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.916 4.702 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.479 3.878 2.648 1.00 0.00 H new ATOM 680 N TYR A 44 -8.833 5.630 0.576 1.00 0.00 N ATOM 681 CA TYR A 44 -10.202 5.872 0.176 1.00 0.00 C ATOM 682 C TYR A 44 -10.912 4.587 -0.231 1.00 0.00 C ATOM 683 O TYR A 44 -10.278 3.598 -0.595 1.00 0.00 O ATOM 684 CB TYR A 44 -10.052 6.825 -1.011 1.00 0.00 C ATOM 685 CG TYR A 44 -11.299 7.271 -1.717 1.00 0.00 C ATOM 686 CD1 TYR A 44 -12.405 7.755 -1.005 1.00 0.00 C ATOM 687 CD2 TYR A 44 -11.316 7.221 -3.114 1.00 0.00 C ATOM 688 CE1 TYR A 44 -13.542 8.197 -1.701 1.00 0.00 C ATOM 689 CE2 TYR A 44 -12.439 7.667 -3.815 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.564 8.146 -3.111 1.00 0.00 C ATOM 691 OH TYR A 44 -14.664 8.556 -3.795 1.00 0.00 O ATOM 0 H TYR A 44 -8.429 4.759 0.232 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.811 6.280 0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.530 7.715 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.406 6.345 -1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.383 7.788 0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.461 6.838 -3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.396 8.575 -1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -12.446 7.645 -4.895 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.508 8.454 -4.757 1.00 0.00 H new ATOM 701 N ILE A 45 -12.246 4.609 -0.167 1.00 0.00 N ATOM 702 CA ILE A 45 -13.102 3.499 -0.560 1.00 0.00 C ATOM 703 C ILE A 45 -14.119 4.047 -1.552 1.00 0.00 C ATOM 704 O ILE A 45 -15.204 4.480 -1.159 1.00 0.00 O ATOM 705 CB ILE A 45 -13.769 2.832 0.656 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.652 2.210 1.498 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.770 1.750 0.240 1.00 0.00 C ATOM 708 CD1 ILE A 45 -13.150 1.229 2.560 1.00 0.00 C ATOM 0 H ILE A 45 -12.767 5.419 0.168 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.514 2.710 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.329 3.579 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.957 1.692 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.092 3.007 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.217 1.306 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.552 2.195 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.255 0.978 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.300 0.831 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.821 1.745 3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.684 0.410 2.077 1.00 0.00 H new ATOM 720 N PRO A 46 -13.764 4.031 -2.844 1.00 0.00 N ATOM 721 CA PRO A 46 -14.624 4.466 -3.930 1.00 0.00 C ATOM 722 C PRO A 46 -15.980 3.786 -3.870 1.00 0.00 C ATOM 723 O PRO A 46 -16.125 2.730 -3.255 1.00 0.00 O ATOM 724 CB PRO A 46 -13.889 4.083 -5.209 1.00 0.00 C ATOM 725 CG PRO A 46 -12.424 4.052 -4.789 1.00 0.00 C ATOM 726 CD PRO A 46 -12.484 3.576 -3.345 1.00 0.00 C ATOM 0 HA PRO A 46 -14.818 5.537 -3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.218 3.114 -5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.063 4.809 -6.003 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.841 3.374 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.962 5.036 -4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.402 2.491 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.663 3.991 -2.760 1.00 0.00 H new ATOM 734 N ARG A 47 -16.975 4.394 -4.513 1.00 0.00 N ATOM 735 CA ARG A 47 -18.328 3.865 -4.538 1.00 0.00 C ATOM 736 C ARG A 47 -18.957 4.196 -5.876 1.00 0.00 C ATOM 737 O ARG A 47 -18.542 5.139 -6.548 1.00 0.00 O ATOM 738 CB ARG A 47 -19.149 4.511 -3.412 1.00 0.00 C ATOM 739 CG ARG A 47 -18.577 4.181 -2.031 1.00 0.00 C ATOM 740 CD ARG A 47 -19.385 4.851 -0.921 1.00 0.00 C ATOM 741 NE ARG A 47 -19.367 6.315 -1.026 1.00 0.00 N ATOM 742 CZ ARG A 47 -18.329 7.085 -0.695 1.00 0.00 C ATOM 743 NH1 ARG A 47 -17.186 6.567 -0.255 1.00 0.00 N ATOM 744 NH2 ARG A 47 -18.430 8.409 -0.803 1.00 0.00 N ATOM 0 H ARG A 47 -16.861 5.266 -5.029 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.308 2.785 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.167 5.592 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -20.181 4.165 -3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.578 3.101 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.539 4.509 -1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.416 4.499 -0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.984 4.553 0.048 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.207 6.776 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.086 5.556 -0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.409 7.181 -0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -19.297 8.829 -1.137 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.640 9.003 -0.551 1.00 0.00 H new ATOM 758 N ASP A 48 -19.972 3.422 -6.264 1.00 0.00 N ATOM 759 CA ASP A 48 -20.772 3.748 -7.439 1.00 0.00 C ATOM 760 C ASP A 48 -21.581 5.009 -7.181 1.00 0.00 C ATOM 761 O ASP A 48 -22.375 5.426 -8.018 1.00 0.00 O ATOM 762 CB ASP A 48 -21.665 2.572 -7.817 1.00 0.00 C ATOM 763 CG ASP A 48 -20.843 1.318 -8.107 1.00 0.00 C ATOM 764 OD1 ASP A 48 -20.502 0.604 -7.139 1.00 0.00 O ATOM 765 OD2 ASP A 48 -20.565 1.079 -9.306 1.00 0.00 O ATOM 0 H ASP A 48 -20.256 2.569 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.111 3.940 -8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.366 2.370 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.258 2.831 -8.694 1.00 0.00 H new ATOM 770 N ARG A 49 -21.362 5.605 -6.010 1.00 0.00 N ATOM 771 CA ARG A 49 -21.890 6.895 -5.619 1.00 0.00 C ATOM 772 C ARG A 49 -23.423 6.948 -5.551 1.00 0.00 C ATOM 773 O ARG A 49 -23.988 7.975 -5.180 1.00 0.00 O ATOM 774 CB ARG A 49 -21.197 7.939 -6.509 1.00 0.00 C ATOM 775 CG ARG A 49 -21.958 9.246 -6.678 1.00 0.00 C ATOM 776 CD ARG A 49 -21.090 10.194 -7.500 1.00 0.00 C ATOM 777 NE ARG A 49 -20.271 11.067 -6.659 1.00 0.00 N ATOM 778 CZ ARG A 49 -20.732 12.070 -5.905 1.00 0.00 C ATOM 779 NH1 ARG A 49 -22.033 12.341 -5.841 1.00 0.00 N ATOM 780 NH2 ARG A 49 -19.872 12.806 -5.207 1.00 0.00 N ATOM 0 H ARG A 49 -20.787 5.178 -5.284 1.00 0.00 H new ATOM 0 HA ARG A 49 -21.654 7.124 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -20.216 8.159 -6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -21.031 7.502 -7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.910 9.071 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.185 9.683 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -20.442 9.613 -8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.728 10.804 -8.140 1.00 0.00 H new ATOM 0 HE ARG A 49 -19.265 10.896 -6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -22.698 11.779 -6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -22.366 13.111 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.874 12.602 -5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.211 13.574 -4.628 1.00 0.00 H new ATOM 794 N TYR A 50 -24.099 5.850 -5.897 1.00 0.00 N ATOM 795 CA TYR A 50 -25.544 5.716 -5.723 1.00 0.00 C ATOM 796 C TYR A 50 -25.979 4.270 -5.464 1.00 0.00 C ATOM 797 O TYR A 50 -27.172 4.019 -5.300 1.00 0.00 O ATOM 798 CB TYR A 50 -26.266 6.315 -6.931 1.00 0.00 C ATOM 799 CG TYR A 50 -25.826 5.717 -8.246 1.00 0.00 C ATOM 800 CD1 TYR A 50 -26.400 4.524 -8.701 1.00 0.00 C ATOM 801 CD2 TYR A 50 -24.833 6.353 -9.002 1.00 0.00 C ATOM 802 CE1 TYR A 50 -25.961 3.942 -9.898 1.00 0.00 C ATOM 803 CE2 TYR A 50 -24.387 5.782 -10.199 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.953 4.573 -10.655 1.00 0.00 C ATOM 805 OH TYR A 50 -24.522 4.011 -11.821 1.00 0.00 O ATOM 0 H TYR A 50 -23.657 5.027 -6.307 1.00 0.00 H new ATOM 0 HA TYR A 50 -25.825 6.273 -4.829 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -27.340 6.168 -6.814 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -26.092 7.391 -6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -27.184 4.051 -8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -24.411 7.286 -8.660 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -26.394 3.013 -10.239 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -23.611 6.266 -10.773 1.00 0.00 H new ATOM 0 HH TYR A 50 -23.825 4.574 -12.218 1.00 0.00 H new ATOM 815 N THR A 51 -25.040 3.315 -5.420 1.00 0.00 N ATOM 816 CA THR A 51 -25.351 1.941 -5.008 1.00 0.00 C ATOM 817 C THR A 51 -24.413 1.466 -3.896 1.00 0.00 C ATOM 818 O THR A 51 -24.763 0.548 -3.154 1.00 0.00 O ATOM 819 CB THR A 51 -25.284 0.950 -6.171 1.00 0.00 C ATOM 820 OG1 THR A 51 -23.940 0.725 -6.528 1.00 0.00 O ATOM 821 CG2 THR A 51 -26.030 1.452 -7.399 1.00 0.00 C ATOM 0 H THR A 51 -24.062 3.469 -5.664 1.00 0.00 H new ATOM 0 HA THR A 51 -26.376 1.967 -4.637 1.00 0.00 H new ATOM 0 HB THR A 51 -25.757 0.028 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 51 -23.901 0.088 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.954 0.714 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 51 -27.079 1.609 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 51 -25.592 2.393 -7.731 1.00 0.00 H new ATOM 828 N LYS A 52 -23.233 2.098 -3.792 1.00 0.00 N ATOM 829 CA LYS A 52 -22.201 1.862 -2.782 1.00 0.00 C ATOM 830 C LYS A 52 -21.927 0.384 -2.472 1.00 0.00 C ATOM 831 O LYS A 52 -21.457 0.060 -1.386 1.00 0.00 O ATOM 832 CB LYS A 52 -22.455 2.692 -1.515 1.00 0.00 C ATOM 833 CG LYS A 52 -23.701 2.279 -0.726 1.00 0.00 C ATOM 834 CD LYS A 52 -24.913 3.137 -1.097 1.00 0.00 C ATOM 835 CE LYS A 52 -26.133 2.645 -0.320 1.00 0.00 C ATOM 836 NZ LYS A 52 -27.323 3.469 -0.624 1.00 0.00 N ATOM 0 H LYS A 52 -22.963 2.828 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.273 2.212 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -21.585 2.613 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -22.549 3.741 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -23.924 1.230 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -23.503 2.370 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -24.717 4.184 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -25.101 3.078 -2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -26.333 1.604 -0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -25.926 2.680 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -28.138 3.114 -0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -27.137 4.458 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -27.532 3.415 -1.641 1.00 0.00 H new ATOM 850 N GLU A 53 -22.218 -0.516 -3.413 1.00 0.00 N ATOM 851 CA GLU A 53 -21.967 -1.944 -3.242 1.00 0.00 C ATOM 852 C GLU A 53 -20.483 -2.282 -3.437 1.00 0.00 C ATOM 853 O GLU A 53 -20.109 -3.453 -3.427 1.00 0.00 O ATOM 854 CB GLU A 53 -22.839 -2.741 -4.218 1.00 0.00 C ATOM 855 CG GLU A 53 -22.526 -2.395 -5.673 1.00 0.00 C ATOM 856 CD GLU A 53 -23.366 -3.256 -6.612 1.00 0.00 C ATOM 857 OE1 GLU A 53 -22.891 -4.361 -6.961 1.00 0.00 O ATOM 858 OE2 GLU A 53 -24.475 -2.803 -6.975 1.00 0.00 O ATOM 0 H GLU A 53 -22.633 -0.274 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.229 -2.220 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.683 -3.808 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.890 -2.538 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.730 -1.340 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.466 -2.554 -5.872 1.00 0.00 H new ATOM 865 N SER A 54 -19.645 -1.256 -3.612 1.00 0.00 N ATOM 866 CA SER A 54 -18.222 -1.396 -3.901 1.00 0.00 C ATOM 867 C SER A 54 -17.414 -2.018 -2.759 1.00 0.00 C ATOM 868 O SER A 54 -16.346 -2.570 -3.015 1.00 0.00 O ATOM 869 CB SER A 54 -17.651 -0.014 -4.189 1.00 0.00 C ATOM 870 OG SER A 54 -17.850 0.801 -3.055 1.00 0.00 O ATOM 0 H SER A 54 -19.948 -0.284 -3.555 1.00 0.00 H new ATOM 0 HA SER A 54 -18.140 -2.070 -4.753 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.589 -0.085 -4.422 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.140 0.423 -5.060 1.00 0.00 H new ATOM 0 HG SER A 54 -17.033 1.310 -2.870 1.00 0.00 H new ATOM 876 N ARG A 55 -17.912 -1.933 -1.519 1.00 0.00 N ATOM 877 CA ARG A 55 -17.292 -2.506 -0.334 1.00 0.00 C ATOM 878 C ARG A 55 -16.585 -3.824 -0.625 1.00 0.00 C ATOM 879 O ARG A 55 -17.196 -4.816 -1.013 1.00 0.00 O ATOM 880 CB ARG A 55 -18.320 -2.617 0.798 1.00 0.00 C ATOM 881 CG ARG A 55 -19.539 -3.461 0.415 1.00 0.00 C ATOM 882 CD ARG A 55 -20.566 -3.455 1.549 1.00 0.00 C ATOM 883 NE ARG A 55 -20.025 -4.065 2.773 1.00 0.00 N ATOM 884 CZ ARG A 55 -20.025 -5.378 3.026 1.00 0.00 C ATOM 885 NH1 ARG A 55 -20.533 -6.243 2.151 1.00 0.00 N ATOM 886 NH2 ARG A 55 -19.512 -5.837 4.165 1.00 0.00 N ATOM 0 H ARG A 55 -18.785 -1.447 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 55 -16.505 -1.829 -0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -17.842 -3.055 1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -18.651 -1.618 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -19.991 -3.068 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -19.229 -4.484 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -20.873 -2.430 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -21.458 -3.997 1.235 1.00 0.00 H new ATOM 0 HE ARG A 55 -19.623 -3.445 3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -20.929 -5.907 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -20.526 -7.242 2.358 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.119 -5.187 4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.512 -6.839 4.357 1.00 0.00 H new ATOM 900 N GLY A 56 -15.268 -3.797 -0.425 1.00 0.00 N ATOM 901 CA GLY A 56 -14.381 -4.926 -0.673 1.00 0.00 C ATOM 902 C GLY A 56 -12.939 -4.494 -0.949 1.00 0.00 C ATOM 903 O GLY A 56 -12.051 -5.342 -1.052 1.00 0.00 O ATOM 0 H GLY A 56 -14.780 -2.971 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.398 -5.592 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.754 -5.496 -1.524 1.00 0.00 H new ATOM 907 N PHE A 57 -12.694 -3.185 -1.071 1.00 0.00 N ATOM 908 CA PHE A 57 -11.372 -2.628 -1.318 1.00 0.00 C ATOM 909 C PHE A 57 -11.261 -1.239 -0.699 1.00 0.00 C ATOM 910 O PHE A 57 -12.246 -0.674 -0.225 1.00 0.00 O ATOM 911 CB PHE A 57 -11.090 -2.588 -2.829 1.00 0.00 C ATOM 912 CG PHE A 57 -11.890 -1.618 -3.691 1.00 0.00 C ATOM 913 CD1 PHE A 57 -13.036 -0.958 -3.218 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.461 -1.381 -5.009 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.729 -0.060 -4.048 1.00 0.00 C ATOM 916 CE2 PHE A 57 -12.162 -0.495 -5.844 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.295 0.172 -5.360 1.00 0.00 C ATOM 0 H PHE A 57 -13.424 -2.477 -0.999 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.622 -3.266 -0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.033 -2.357 -2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.250 -3.592 -3.223 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.386 -1.141 -2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.583 -1.886 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.601 0.454 -3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.828 -0.328 -6.857 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.831 0.862 -5.995 1.00 0.00 H new ATOM 927 N ALA A 58 -10.048 -0.692 -0.713 1.00 0.00 N ATOM 928 CA ALA A 58 -9.779 0.675 -0.312 1.00 0.00 C ATOM 929 C ALA A 58 -8.569 1.143 -1.102 1.00 0.00 C ATOM 930 O ALA A 58 -7.439 0.898 -0.692 1.00 0.00 O ATOM 931 CB ALA A 58 -9.540 0.788 1.200 1.00 0.00 C ATOM 0 H ALA A 58 -9.214 -1.200 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.642 1.306 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.342 1.828 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.424 0.442 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.684 0.174 1.480 1.00 0.00 H new ATOM 937 N PHE A 59 -8.819 1.812 -2.231 1.00 0.00 N ATOM 938 CA PHE A 59 -7.756 2.312 -3.084 1.00 0.00 C ATOM 939 C PHE A 59 -7.005 3.367 -2.280 1.00 0.00 C ATOM 940 O PHE A 59 -7.527 4.454 -2.033 1.00 0.00 O ATOM 941 CB PHE A 59 -8.353 2.853 -4.395 1.00 0.00 C ATOM 942 CG PHE A 59 -7.402 3.664 -5.260 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.238 5.029 -4.984 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.693 3.090 -6.334 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.356 5.803 -5.738 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.784 3.863 -7.069 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.596 5.215 -6.763 1.00 0.00 C ATOM 0 H PHE A 59 -9.759 2.017 -2.571 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.055 1.531 -3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.721 2.011 -4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.215 3.474 -4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.799 5.485 -4.181 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.850 2.053 -6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.257 6.859 -5.533 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.226 3.412 -7.876 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.873 5.802 -7.310 1.00 0.00 H new ATOM 957 N VAL A 60 -5.773 3.054 -1.874 1.00 0.00 N ATOM 958 CA VAL A 60 -4.929 4.027 -1.179 1.00 0.00 C ATOM 959 C VAL A 60 -3.749 4.339 -2.076 1.00 0.00 C ATOM 960 O VAL A 60 -3.449 3.547 -2.968 1.00 0.00 O ATOM 961 CB VAL A 60 -4.466 3.536 0.202 1.00 0.00 C ATOM 962 CG1 VAL A 60 -5.441 2.532 0.803 1.00 0.00 C ATOM 963 CG2 VAL A 60 -3.070 2.913 0.172 1.00 0.00 C ATOM 0 H VAL A 60 -5.340 2.141 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.512 4.927 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.432 4.428 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.077 2.210 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.420 2.998 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.526 1.668 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.796 2.585 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.068 2.057 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.349 3.652 -0.177 1.00 0.00 H new ATOM 973 N ARG A 61 -3.080 5.472 -1.851 1.00 0.00 N ATOM 974 CA ARG A 61 -2.007 5.876 -2.739 1.00 0.00 C ATOM 975 C ARG A 61 -0.792 6.400 -1.971 1.00 0.00 C ATOM 976 O ARG A 61 -0.934 7.038 -0.930 1.00 0.00 O ATOM 977 CB ARG A 61 -2.550 6.875 -3.773 1.00 0.00 C ATOM 978 CG ARG A 61 -2.321 8.333 -3.363 1.00 0.00 C ATOM 979 CD ARG A 61 -2.965 9.273 -4.381 1.00 0.00 C ATOM 980 NE ARG A 61 -2.446 9.017 -5.731 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.210 8.759 -6.794 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.535 8.779 -6.699 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.651 8.478 -7.967 1.00 0.00 N ATOM 0 H ARG A 61 -3.263 6.109 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.641 5.003 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.071 6.693 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.618 6.704 -3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.743 8.511 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.252 8.536 -3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.047 9.140 -4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.769 10.308 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.435 9.038 -5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.979 8.993 -5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.108 8.580 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.635 8.459 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.238 8.281 -8.778 1.00 0.00 H new ATOM 997 N PHE A 62 0.404 6.122 -2.511 1.00 0.00 N ATOM 998 CA PHE A 62 1.663 6.602 -1.929 1.00 0.00 C ATOM 999 C PHE A 62 2.335 7.575 -2.887 1.00 0.00 C ATOM 1000 O PHE A 62 1.819 7.798 -3.983 1.00 0.00 O ATOM 1001 CB PHE A 62 2.631 5.454 -1.647 1.00 0.00 C ATOM 1002 CG PHE A 62 2.374 4.647 -0.393 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.106 4.115 -0.108 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.439 4.435 0.491 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.912 3.352 1.054 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.256 3.651 1.636 1.00 0.00 C ATOM 1007 CZ PHE A 62 1.997 3.101 1.907 1.00 0.00 C ATOM 0 H PHE A 62 0.524 5.563 -3.356 1.00 0.00 H new ATOM 0 HA PHE A 62 1.420 7.094 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.613 4.775 -2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.639 5.864 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.281 4.293 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.403 4.877 0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.067 2.961 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.082 3.471 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.860 2.479 2.779 1.00 0.00 H new ATOM 1017 N HIS A 63 3.477 8.138 -2.467 1.00 0.00 N ATOM 1018 CA HIS A 63 4.238 9.094 -3.263 1.00 0.00 C ATOM 1019 C HIS A 63 5.738 8.810 -3.274 1.00 0.00 C ATOM 1020 O HIS A 63 6.402 9.072 -4.275 1.00 0.00 O ATOM 1021 CB HIS A 63 4.007 10.533 -2.785 1.00 0.00 C ATOM 1022 CG HIS A 63 3.227 10.756 -1.510 1.00 0.00 C ATOM 1023 ND1 HIS A 63 3.308 10.057 -0.334 1.00 0.00 N flip ATOM 1024 CD2 HIS A 63 2.293 11.785 -1.362 1.00 0.00 C flip ATOM 1025 CE1 HIS A 63 2.432 10.664 0.535 1.00 0.00 C flip ATOM 1026 NE2 HIS A 63 1.851 11.697 -0.101 1.00 0.00 N flip ATOM 0 H HIS A 63 3.896 7.937 -1.559 1.00 0.00 H new ATOM 0 HA HIS A 63 3.867 8.978 -4.281 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.983 11.001 -2.662 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.495 11.069 -3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.990 12.503 -2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.243 10.363 1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.168 12.327 0.319 1.00 0.00 H new ATOM 1034 N ASP A 64 6.286 8.277 -2.184 1.00 0.00 N ATOM 1035 CA ASP A 64 7.693 7.916 -2.139 1.00 0.00 C ATOM 1036 C ASP A 64 7.917 6.602 -2.875 1.00 0.00 C ATOM 1037 O ASP A 64 7.239 5.618 -2.589 1.00 0.00 O ATOM 1038 CB ASP A 64 8.104 7.757 -0.678 1.00 0.00 C ATOM 1039 CG ASP A 64 8.545 9.086 -0.084 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.748 9.404 -0.219 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.679 9.771 0.499 1.00 0.00 O ATOM 0 H ASP A 64 5.774 8.087 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 64 8.289 8.693 -2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.268 7.358 -0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.916 7.034 -0.602 1.00 0.00 H new ATOM 1046 N LYS A 65 8.864 6.578 -3.821 1.00 0.00 N ATOM 1047 CA LYS A 65 9.182 5.354 -4.541 1.00 0.00 C ATOM 1048 C LYS A 65 9.656 4.285 -3.569 1.00 0.00 C ATOM 1049 O LYS A 65 9.066 3.207 -3.520 1.00 0.00 O ATOM 1050 CB LYS A 65 10.239 5.639 -5.617 1.00 0.00 C ATOM 1051 CG LYS A 65 10.888 4.374 -6.194 1.00 0.00 C ATOM 1052 CD LYS A 65 9.894 3.332 -6.723 1.00 0.00 C ATOM 1053 CE LYS A 65 8.988 3.875 -7.824 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.762 4.278 -9.019 1.00 0.00 N ATOM 0 H LYS A 65 9.416 7.389 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 65 8.286 4.983 -5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.777 6.202 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.016 6.274 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.558 4.662 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.502 3.912 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.446 2.473 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.279 2.974 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.258 3.115 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.429 4.731 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.109 4.578 -9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.394 5.067 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.328 3.472 -9.354 1.00 0.00 H new ATOM 1068 N ARG A 66 10.707 4.573 -2.792 1.00 0.00 N ATOM 1069 CA ARG A 66 11.297 3.586 -1.899 1.00 0.00 C ATOM 1070 C ARG A 66 10.287 3.025 -0.896 1.00 0.00 C ATOM 1071 O ARG A 66 10.378 1.853 -0.527 1.00 0.00 O ATOM 1072 CB ARG A 66 12.539 4.151 -1.199 1.00 0.00 C ATOM 1073 CG ARG A 66 12.266 5.261 -0.179 1.00 0.00 C ATOM 1074 CD ARG A 66 11.835 6.593 -0.800 1.00 0.00 C ATOM 1075 NE ARG A 66 12.842 7.098 -1.744 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.889 8.349 -2.202 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.994 9.260 -1.826 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.849 8.708 -3.050 1.00 0.00 N ATOM 0 H ARG A 66 11.162 5.485 -2.768 1.00 0.00 H new ATOM 0 HA ARG A 66 11.613 2.745 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.054 3.334 -0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.220 4.537 -1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.489 4.925 0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.166 5.424 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.883 6.464 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.673 7.328 -0.011 1.00 0.00 H new ATOM 0 HE ARG A 66 13.555 6.446 -2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.252 9.007 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.051 10.211 -2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.547 8.027 -3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.887 9.665 -3.402 1.00 0.00 H new ATOM 1092 N ASP A 67 9.323 3.839 -0.455 1.00 0.00 N ATOM 1093 CA ASP A 67 8.335 3.378 0.509 1.00 0.00 C ATOM 1094 C ASP A 67 7.184 2.674 -0.201 1.00 0.00 C ATOM 1095 O ASP A 67 6.496 1.853 0.404 1.00 0.00 O ATOM 1096 CB ASP A 67 7.803 4.569 1.307 1.00 0.00 C ATOM 1097 CG ASP A 67 8.911 5.282 2.080 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.872 4.597 2.494 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.791 6.515 2.253 1.00 0.00 O ATOM 0 H ASP A 67 9.211 4.809 -0.750 1.00 0.00 H new ATOM 0 HA ASP A 67 8.809 2.669 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.323 5.274 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.038 4.226 2.004 1.00 0.00 H new ATOM 1104 N ALA A 68 6.961 2.984 -1.481 1.00 0.00 N ATOM 1105 CA ALA A 68 5.905 2.367 -2.254 1.00 0.00 C ATOM 1106 C ALA A 68 6.315 0.954 -2.666 1.00 0.00 C ATOM 1107 O ALA A 68 5.518 0.021 -2.569 1.00 0.00 O ATOM 1108 CB ALA A 68 5.624 3.223 -3.489 1.00 0.00 C ATOM 0 H ALA A 68 7.511 3.669 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 68 5.000 2.299 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.829 2.764 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.315 4.221 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.527 3.295 -4.095 1.00 0.00 H new ATOM 1114 N GLU A 69 7.559 0.779 -3.127 1.00 0.00 N ATOM 1115 CA GLU A 69 8.023 -0.543 -3.529 1.00 0.00 C ATOM 1116 C GLU A 69 8.348 -1.412 -2.314 1.00 0.00 C ATOM 1117 O GLU A 69 8.405 -2.633 -2.440 1.00 0.00 O ATOM 1118 CB GLU A 69 9.230 -0.449 -4.468 1.00 0.00 C ATOM 1119 CG GLU A 69 10.431 0.231 -3.812 1.00 0.00 C ATOM 1120 CD GLU A 69 11.710 -0.065 -4.586 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.976 0.670 -5.562 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.412 -1.023 -4.196 1.00 0.00 O ATOM 0 H GLU A 69 8.248 1.525 -3.228 1.00 0.00 H new ATOM 0 HA GLU A 69 7.209 -1.020 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.515 -1.451 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.947 0.105 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.267 1.308 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.534 -0.116 -2.784 1.00 0.00 H new ATOM 1129 N ASP A 70 8.563 -0.810 -1.137 1.00 0.00 N ATOM 1130 CA ASP A 70 8.770 -1.603 0.063 1.00 0.00 C ATOM 1131 C ASP A 70 7.436 -2.103 0.613 1.00 0.00 C ATOM 1132 O ASP A 70 7.343 -3.245 1.058 1.00 0.00 O ATOM 1133 CB ASP A 70 9.499 -0.764 1.111 1.00 0.00 C ATOM 1134 CG ASP A 70 9.796 -1.575 2.368 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.617 -2.515 2.266 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.205 -1.250 3.419 1.00 0.00 O ATOM 0 H ASP A 70 8.596 0.200 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 70 9.380 -2.471 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.431 -0.386 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.892 0.103 1.371 1.00 0.00 H new ATOM 1141 N ALA A 71 6.397 -1.262 0.584 1.00 0.00 N ATOM 1142 CA ALA A 71 5.101 -1.656 1.118 1.00 0.00 C ATOM 1143 C ALA A 71 4.519 -2.827 0.330 1.00 0.00 C ATOM 1144 O ALA A 71 3.840 -3.678 0.908 1.00 0.00 O ATOM 1145 CB ALA A 71 4.157 -0.456 1.081 1.00 0.00 C ATOM 0 H ALA A 71 6.432 -0.317 0.201 1.00 0.00 H new ATOM 0 HA ALA A 71 5.225 -1.985 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.185 -0.745 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.571 0.351 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.040 -0.116 0.052 1.00 0.00 H new ATOM 1151 N MET A 72 4.771 -2.888 -0.984 1.00 0.00 N ATOM 1152 CA MET A 72 4.281 -4.008 -1.774 1.00 0.00 C ATOM 1153 C MET A 72 5.132 -5.241 -1.498 1.00 0.00 C ATOM 1154 O MET A 72 4.622 -6.354 -1.400 1.00 0.00 O ATOM 1155 CB MET A 72 4.298 -3.647 -3.260 1.00 0.00 C ATOM 1156 CG MET A 72 5.662 -3.858 -3.917 1.00 0.00 C ATOM 1157 SD MET A 72 5.718 -3.449 -5.681 1.00 0.00 S ATOM 1158 CE MET A 72 5.000 -1.793 -5.591 1.00 0.00 C ATOM 0 H MET A 72 5.299 -2.189 -1.506 1.00 0.00 H new ATOM 0 HA MET A 72 3.252 -4.231 -1.493 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.554 -4.249 -3.782 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.003 -2.604 -3.377 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.401 -3.252 -3.393 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.955 -4.900 -3.789 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.248 -1.239 -6.496 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.917 -1.871 -5.499 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.401 -1.269 -4.724 1.00 0.00 H new ATOM 1168 N ASP A 73 6.443 -5.035 -1.366 1.00 0.00 N ATOM 1169 CA ASP A 73 7.398 -6.104 -1.111 1.00 0.00 C ATOM 1170 C ASP A 73 7.369 -6.551 0.350 1.00 0.00 C ATOM 1171 O ASP A 73 8.142 -7.429 0.733 1.00 0.00 O ATOM 1172 CB ASP A 73 8.796 -5.613 -1.501 1.00 0.00 C ATOM 1173 CG ASP A 73 9.837 -6.728 -1.451 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.616 -7.754 -2.134 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.844 -6.550 -0.729 1.00 0.00 O ATOM 0 H ASP A 73 6.871 -4.112 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 73 7.127 -6.973 -1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.764 -5.194 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.096 -4.808 -0.830 1.00 0.00 H new ATOM 1180 N ALA A 74 6.495 -5.967 1.180 1.00 0.00 N ATOM 1181 CA ALA A 74 6.470 -6.276 2.598 1.00 0.00 C ATOM 1182 C ALA A 74 5.074 -6.588 3.132 1.00 0.00 C ATOM 1183 O ALA A 74 4.951 -6.979 4.291 1.00 0.00 O ATOM 1184 CB ALA A 74 7.058 -5.090 3.347 1.00 0.00 C ATOM 0 H ALA A 74 5.801 -5.280 0.886 1.00 0.00 H new ATOM 0 HA ALA A 74 7.056 -7.182 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.051 -5.296 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.083 -4.923 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.462 -4.200 3.145 1.00 0.00 H new ATOM 1190 N MET A 75 4.025 -6.427 2.319 1.00 0.00 N ATOM 1191 CA MET A 75 2.684 -6.770 2.777 1.00 0.00 C ATOM 1192 C MET A 75 1.830 -7.492 1.736 1.00 0.00 C ATOM 1193 O MET A 75 0.937 -8.250 2.109 1.00 0.00 O ATOM 1194 CB MET A 75 1.948 -5.501 3.199 1.00 0.00 C ATOM 1195 CG MET A 75 1.007 -5.840 4.354 1.00 0.00 C ATOM 1196 SD MET A 75 -0.205 -4.557 4.766 1.00 0.00 S ATOM 1197 CE MET A 75 0.917 -3.192 5.161 1.00 0.00 C ATOM 0 H MET A 75 4.079 -6.070 1.365 1.00 0.00 H new ATOM 0 HA MET A 75 2.825 -7.458 3.610 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.661 -4.735 3.505 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.384 -5.095 2.359 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.472 -6.757 4.108 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.606 -6.049 5.240 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.337 -2.293 5.370 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.512 -3.452 6.037 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.579 -3.008 4.314 1.00 0.00 H new ATOM 1207 N ASP A 76 2.077 -7.282 0.438 1.00 0.00 N ATOM 1208 CA ASP A 76 1.259 -7.916 -0.580 1.00 0.00 C ATOM 1209 C ASP A 76 1.439 -9.429 -0.528 1.00 0.00 C ATOM 1210 O ASP A 76 2.557 -9.930 -0.379 1.00 0.00 O ATOM 1211 CB ASP A 76 1.645 -7.373 -1.953 1.00 0.00 C ATOM 1212 CG ASP A 76 0.930 -8.118 -3.072 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.229 -7.754 -3.352 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.546 -9.046 -3.642 1.00 0.00 O ATOM 0 H ASP A 76 2.825 -6.688 0.080 1.00 0.00 H new ATOM 0 HA ASP A 76 0.209 -7.691 -0.395 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.400 -6.312 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.723 -7.459 -2.089 1.00 0.00 H new ATOM 1219 N GLY A 77 0.330 -10.157 -0.655 1.00 0.00 N ATOM 1220 CA GLY A 77 0.349 -11.614 -0.714 1.00 0.00 C ATOM 1221 C GLY A 77 0.494 -12.250 0.663 1.00 0.00 C ATOM 1222 O GLY A 77 0.716 -13.458 0.755 1.00 0.00 O ATOM 0 H GLY A 77 -0.604 -9.752 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.571 -11.968 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.173 -11.938 -1.349 1.00 0.00 H new ATOM 1226 N ALA A 78 0.372 -11.462 1.736 1.00 0.00 N ATOM 1227 CA ALA A 78 0.496 -11.953 3.102 1.00 0.00 C ATOM 1228 C ALA A 78 -0.829 -12.551 3.572 1.00 0.00 C ATOM 1229 O ALA A 78 -1.168 -12.507 4.753 1.00 0.00 O ATOM 1230 CB ALA A 78 0.958 -10.818 4.014 1.00 0.00 C ATOM 0 H ALA A 78 0.184 -10.461 1.675 1.00 0.00 H new ATOM 0 HA ALA A 78 1.244 -12.745 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.050 -11.187 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.925 -10.448 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.229 -10.008 3.985 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.579 -13.109 2.623 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.942 -13.569 2.821 1.00 0.00 C ATOM 1238 C VAL A 79 -3.000 -14.879 3.599 1.00 0.00 C ATOM 1239 O VAL A 79 -2.003 -15.584 3.730 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.609 -13.726 1.451 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -5.077 -14.108 1.469 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.443 -12.471 0.592 1.00 0.00 C ATOM 0 H VAL A 79 -1.241 -13.255 1.672 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.476 -12.829 3.418 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.075 -14.571 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.444 -14.191 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.198 -15.065 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.646 -13.343 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.930 -12.623 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.898 -11.620 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.382 -12.275 0.436 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.191 -15.201 4.113 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.434 -16.449 4.832 1.00 0.00 C ATOM 1254 C LEU A 80 -5.908 -16.873 4.778 1.00 0.00 C ATOM 1255 O LEU A 80 -6.312 -17.794 5.488 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.938 -16.330 6.285 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.905 -15.637 7.252 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.256 -15.569 8.634 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.250 -14.223 6.808 1.00 0.00 C ATOM 0 H LEU A 80 -5.013 -14.601 4.041 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.868 -17.235 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.727 -17.330 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.995 -15.783 6.286 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.827 -16.218 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.935 -15.078 9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.043 -16.578 8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.327 -15.002 8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.937 -13.774 7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.340 -13.626 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.720 -14.255 5.825 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.712 -16.206 3.944 1.00 0.00 N ATOM 1272 CA ASP A 81 -8.150 -16.438 3.855 1.00 0.00 C ATOM 1273 C ASP A 81 -8.626 -16.453 2.402 1.00 0.00 C ATOM 1274 O ASP A 81 -9.821 -16.545 2.136 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.857 -15.328 4.636 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.369 -15.529 4.703 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.795 -16.550 5.287 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -11.090 -14.652 4.172 1.00 0.00 O ATOM 0 H ASP A 81 -6.376 -15.484 3.307 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.387 -17.414 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.454 -15.288 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.642 -14.367 4.169 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.688 -16.358 1.454 1.00 0.00 N ATOM 1284 CA GLY A 82 -8.010 -16.265 0.037 1.00 0.00 C ATOM 1285 C GLY A 82 -7.921 -14.823 -0.461 1.00 0.00 C ATOM 1286 O GLY A 82 -8.004 -14.576 -1.664 1.00 0.00 O ATOM 0 H GLY A 82 -6.688 -16.344 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.326 -16.892 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.015 -16.650 -0.135 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.748 -13.871 0.467 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.623 -12.453 0.175 1.00 0.00 C ATOM 1292 C ARG A 83 -7.253 -11.720 1.463 1.00 0.00 C ATOM 1293 O ARG A 83 -7.973 -11.815 2.451 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.953 -11.950 -0.405 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.178 -10.445 -0.238 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.013 -10.065 0.991 1.00 0.00 C ATOM 1297 NE ARG A 83 -11.322 -10.740 1.014 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.620 -11.812 1.757 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -10.712 -12.393 2.536 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.849 -12.316 1.722 1.00 0.00 N ATOM 0 H ARG A 83 -7.691 -14.081 1.464 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.840 -12.267 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.991 -12.197 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.772 -12.485 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.209 -9.950 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.672 -10.062 -1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.460 -10.320 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.164 -8.986 1.004 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.058 -10.361 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.763 -12.022 2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.965 -13.209 3.093 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.560 -11.886 1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.081 -13.133 2.286 1.00 0.00 H new ATOM 1314 N GLU A 84 -6.135 -10.991 1.448 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.801 -10.072 2.528 1.00 0.00 C ATOM 1316 C GLU A 84 -5.248 -8.765 1.954 1.00 0.00 C ATOM 1317 O GLU A 84 -5.684 -7.690 2.366 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.796 -10.627 3.546 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.296 -11.812 4.371 1.00 0.00 C ATOM 1320 CD GLU A 84 -6.523 -11.469 5.222 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -6.553 -10.350 5.786 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.426 -12.328 5.306 1.00 0.00 O ATOM 0 H GLU A 84 -5.447 -11.023 0.696 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.735 -9.907 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.894 -10.929 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.511 -9.825 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.543 -12.636 3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.494 -12.160 5.022 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.296 -8.850 1.011 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.715 -7.668 0.379 1.00 0.00 C ATOM 1331 C LEU A 85 -3.545 -7.857 -1.124 1.00 0.00 C ATOM 1332 O LEU A 85 -3.404 -8.977 -1.610 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.303 -7.386 0.915 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.134 -6.825 2.329 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -3.039 -5.617 2.561 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.340 -7.896 3.393 1.00 0.00 C ATOM 0 H LEU A 85 -3.915 -9.733 0.672 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.403 -6.853 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.741 -8.319 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.825 -6.688 0.227 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.103 -6.483 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.894 -5.243 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.790 -4.833 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.080 -5.911 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.211 -7.456 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.346 -8.306 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.610 -8.693 3.253 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.553 -6.727 -1.833 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.160 -6.588 -3.228 1.00 0.00 C ATOM 1350 C ARG A 86 -2.569 -5.197 -3.379 1.00 0.00 C ATOM 1351 O ARG A 86 -3.295 -4.208 -3.324 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.343 -6.782 -4.186 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.626 -8.264 -4.457 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.454 -8.944 -5.171 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.212 -8.340 -6.486 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.086 -7.727 -6.871 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -1.046 -7.610 -6.053 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.000 -7.219 -8.099 1.00 0.00 N ATOM 0 H ARG A 86 -3.850 -5.841 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.435 -7.359 -3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.232 -6.315 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.134 -6.275 -5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.824 -8.775 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.526 -8.357 -5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.555 -8.863 -4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.664 -10.007 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.969 -8.392 -7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.095 -7.992 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.199 -7.138 -6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.789 -7.298 -8.740 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.145 -6.751 -8.398 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.252 -5.124 -3.575 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.548 -3.857 -3.675 1.00 0.00 C ATOM 1374 C VAL A 87 0.325 -3.848 -4.921 1.00 0.00 C ATOM 1375 O VAL A 87 1.029 -4.822 -5.198 1.00 0.00 O ATOM 1376 CB VAL A 87 0.308 -3.639 -2.428 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.953 -2.255 -2.435 1.00 0.00 C ATOM 1378 CG2 VAL A 87 -0.503 -3.824 -1.150 1.00 0.00 C ATOM 0 H VAL A 87 -0.650 -5.942 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.274 -3.048 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 87 1.094 -4.393 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.555 -2.130 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.589 -2.154 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.176 -1.491 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.139 -3.661 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.324 -3.107 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.905 -4.837 -1.118 1.00 0.00 H new ATOM 1388 N GLN A 88 0.279 -2.744 -5.668 1.00 0.00 N ATOM 1389 CA GLN A 88 1.028 -2.575 -6.903 1.00 0.00 C ATOM 1390 C GLN A 88 0.959 -1.107 -7.308 1.00 0.00 C ATOM 1391 O GLN A 88 0.245 -0.315 -6.700 1.00 0.00 O ATOM 1392 CB GLN A 88 0.420 -3.473 -7.988 1.00 0.00 C ATOM 1393 CG GLN A 88 1.398 -3.770 -9.128 1.00 0.00 C ATOM 1394 CD GLN A 88 0.841 -4.825 -10.081 1.00 0.00 C ATOM 1395 OE1 GLN A 88 0.005 -5.641 -9.697 1.00 0.00 O ATOM 1396 NE2 GLN A 88 1.299 -4.820 -11.330 1.00 0.00 N ATOM 0 H GLN A 88 -0.290 -1.933 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 88 2.071 -2.860 -6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.098 -4.412 -7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.470 -2.992 -8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.605 -2.853 -9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.346 -4.115 -8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.993 -4.129 -11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.956 -5.507 -12.002 1.00 0.00 H new ATOM 1405 N MET A 89 1.709 -0.739 -8.341 1.00 0.00 N ATOM 1406 CA MET A 89 1.794 0.630 -8.812 1.00 0.00 C ATOM 1407 C MET A 89 0.539 1.000 -9.599 1.00 0.00 C ATOM 1408 O MET A 89 0.025 0.192 -10.368 1.00 0.00 O ATOM 1409 CB MET A 89 3.048 0.724 -9.677 1.00 0.00 C ATOM 1410 CG MET A 89 4.262 0.516 -8.771 1.00 0.00 C ATOM 1411 SD MET A 89 4.790 2.029 -7.923 1.00 0.00 S ATOM 1412 CE MET A 89 5.999 1.318 -6.785 1.00 0.00 C ATOM 0 H MET A 89 2.279 -1.393 -8.877 1.00 0.00 H new ATOM 0 HA MET A 89 1.859 1.332 -7.981 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.026 -0.030 -10.464 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.101 1.696 -10.168 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.026 -0.246 -8.028 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.091 0.134 -9.367 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.748 2.069 -6.534 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.494 0.991 -5.876 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.485 0.464 -7.257 1.00 0.00 H new ATOM 1422 N ALA A 90 0.051 2.224 -9.401 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.101 2.734 -10.130 1.00 0.00 C ATOM 1424 C ALA A 90 -0.726 3.039 -11.584 1.00 0.00 C ATOM 1425 O ALA A 90 0.454 3.166 -11.916 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.620 3.994 -9.441 1.00 0.00 C ATOM 0 H ALA A 90 0.445 2.886 -8.732 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.884 1.976 -10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.483 4.377 -9.986 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.913 3.755 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.835 4.750 -9.426 1.00 0.00 H new ATOM 1432 N ARG A 91 -1.738 3.161 -12.445 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.573 3.545 -13.846 1.00 0.00 C ATOM 1434 C ARG A 91 -2.768 4.399 -14.272 1.00 0.00 C ATOM 1435 O ARG A 91 -3.006 4.617 -15.456 1.00 0.00 O ATOM 1436 CB ARG A 91 -1.414 2.278 -14.697 1.00 0.00 C ATOM 1437 CG ARG A 91 -0.949 2.537 -16.134 1.00 0.00 C ATOM 1438 CD ARG A 91 0.384 3.288 -16.159 1.00 0.00 C ATOM 1439 NE ARG A 91 0.888 3.421 -17.532 1.00 0.00 N ATOM 1440 CZ ARG A 91 2.069 3.961 -17.846 1.00 0.00 C ATOM 1441 NH1 ARG A 91 2.875 4.419 -16.896 1.00 0.00 N ATOM 1442 NH2 ARG A 91 2.448 4.041 -19.120 1.00 0.00 N ATOM 0 H ARG A 91 -2.709 2.993 -12.183 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.675 4.147 -13.988 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.699 1.615 -14.210 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.368 1.752 -14.726 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.845 1.589 -16.661 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.705 3.116 -16.665 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.257 4.276 -15.717 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.116 2.758 -15.549 1.00 0.00 H new ATOM 0 HE ARG A 91 0.300 3.080 -18.293 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.594 4.360 -15.917 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.775 4.830 -17.145 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.836 3.690 -19.857 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.350 4.453 -19.359 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.519 4.886 -13.283 1.00 0.00 N ATOM 1457 CA TYR A 92 -4.727 5.671 -13.476 1.00 0.00 C ATOM 1458 C TYR A 92 -4.698 6.871 -12.524 1.00 0.00 C ATOM 1459 O TYR A 92 -3.883 6.897 -11.602 1.00 0.00 O ATOM 1460 CB TYR A 92 -5.942 4.784 -13.215 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.123 3.631 -14.178 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -5.941 3.804 -15.561 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -6.489 2.372 -13.684 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -6.101 2.721 -16.439 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -6.654 1.285 -14.549 1.00 0.00 C ATOM 1466 CZ TYR A 92 -6.460 1.452 -15.935 1.00 0.00 C ATOM 1467 OH TYR A 92 -6.616 0.400 -16.789 1.00 0.00 O ATOM 0 H TYR A 92 -3.292 4.738 -12.300 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.787 6.044 -14.498 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.867 4.383 -12.204 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.837 5.405 -13.246 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.676 4.776 -15.950 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.645 2.239 -12.624 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -5.950 2.858 -17.500 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.930 0.318 -14.155 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.862 -0.401 -16.280 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.572 7.857 -12.735 1.00 0.00 N ATOM 1478 CA GLY A 93 -5.543 9.101 -11.975 1.00 0.00 C ATOM 1479 C GLY A 93 -6.846 9.373 -11.231 1.00 0.00 C ATOM 1480 O GLY A 93 -7.859 8.714 -11.461 1.00 0.00 O ATOM 0 H GLY A 93 -6.314 7.813 -13.434 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.722 9.064 -11.258 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.338 9.930 -12.652 1.00 0.00 H new ATOM 1484 N ARG A 94 -6.800 10.361 -10.329 1.00 0.00 N ATOM 1485 CA ARG A 94 -7.932 10.765 -9.498 1.00 0.00 C ATOM 1486 C ARG A 94 -9.133 11.193 -10.352 1.00 0.00 C ATOM 1487 O ARG A 94 -8.945 11.558 -11.513 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.487 11.867 -8.526 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.364 13.258 -9.158 1.00 0.00 C ATOM 1490 CD ARG A 94 -6.289 13.333 -10.245 1.00 0.00 C ATOM 1491 NE ARG A 94 -6.112 14.715 -10.706 1.00 0.00 N ATOM 1492 CZ ARG A 94 -5.190 15.103 -11.592 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -4.357 14.224 -12.141 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -5.101 16.383 -11.935 1.00 0.00 N ATOM 0 H ARG A 94 -5.958 10.910 -10.156 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.267 9.909 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.199 11.917 -7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.524 11.590 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.325 13.542 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.135 13.985 -8.379 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.345 12.950 -9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.569 12.697 -11.085 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.735 15.427 -10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.416 13.238 -11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.659 14.536 -12.816 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.735 17.067 -11.522 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.398 16.682 -12.611 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.356 11.154 -9.790 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.619 11.444 -10.453 1.00 0.00 C ATOM 1510 C PRO A 95 -11.572 12.520 -11.542 1.00 0.00 C ATOM 1511 O PRO A 95 -11.634 13.708 -11.229 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.551 11.832 -9.310 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.146 10.824 -8.245 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.623 10.801 -8.403 1.00 0.00 C ATOM 0 HA PRO A 95 -11.949 10.574 -11.020 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.396 12.860 -8.984 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.601 11.740 -9.586 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.449 11.139 -7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.590 9.844 -8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.150 11.509 -7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.221 9.815 -8.167 1.00 0.00 H new ATOM 1522 N PRO A 96 -11.464 12.117 -12.817 1.00 0.00 N ATOM 1523 CA PRO A 96 -11.539 13.038 -13.934 1.00 0.00 C ATOM 1524 C PRO A 96 -12.997 13.402 -14.189 1.00 0.00 C ATOM 1525 O PRO A 96 -13.350 14.577 -14.179 1.00 0.00 O ATOM 1526 CB PRO A 96 -10.943 12.269 -15.113 1.00 0.00 C ATOM 1527 CG PRO A 96 -11.250 10.804 -14.795 1.00 0.00 C ATOM 1528 CD PRO A 96 -11.273 10.746 -13.267 1.00 0.00 C ATOM 0 HA PRO A 96 -11.005 13.972 -13.760 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.393 12.575 -16.057 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.870 12.442 -15.201 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.206 10.497 -15.219 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -10.490 10.140 -15.207 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.079 10.103 -12.913 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.342 10.334 -12.878 1.00 0.00 H new ATOM 1536 N ASP A 97 -13.832 12.383 -14.409 1.00 0.00 N ATOM 1537 CA ASP A 97 -15.272 12.512 -14.542 1.00 0.00 C ATOM 1538 C ASP A 97 -15.906 11.133 -14.698 1.00 0.00 C ATOM 1539 O ASP A 97 -15.563 10.377 -15.607 1.00 0.00 O ATOM 1540 CB ASP A 97 -15.631 13.348 -15.769 1.00 0.00 C ATOM 1541 CG ASP A 97 -17.143 13.411 -15.976 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -17.862 13.522 -14.957 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -17.564 13.343 -17.153 1.00 0.00 O ATOM 0 H ASP A 97 -13.508 11.420 -14.501 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.648 13.003 -13.645 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.236 14.357 -15.652 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.158 12.921 -16.653 1.00 0.00 H new ATOM 1548 N SER A 98 -16.836 10.826 -13.793 1.00 0.00 N ATOM 1549 CA SER A 98 -17.603 9.583 -13.789 1.00 0.00 C ATOM 1550 C SER A 98 -18.924 9.764 -13.047 1.00 0.00 C ATOM 1551 O SER A 98 -19.626 8.786 -12.801 1.00 0.00 O ATOM 1552 CB SER A 98 -16.836 8.481 -13.050 1.00 0.00 C ATOM 1553 OG SER A 98 -15.525 8.315 -13.544 1.00 0.00 O ATOM 0 H SER A 98 -17.082 11.451 -13.025 1.00 0.00 H new ATOM 0 HA SER A 98 -17.775 9.313 -14.831 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.793 8.721 -11.988 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.378 7.540 -13.142 1.00 0.00 H new ATOM 0 HG SER A 98 -15.016 7.740 -12.935 1.00 0.00 H new ATOM 1559 N HIS A 99 -19.262 11.004 -12.684 1.00 0.00 N ATOM 1560 CA HIS A 99 -20.329 11.278 -11.737 1.00 0.00 C ATOM 1561 C HIS A 99 -21.101 12.558 -12.075 1.00 0.00 C ATOM 1562 O HIS A 99 -21.795 13.105 -11.218 1.00 0.00 O ATOM 1563 CB HIS A 99 -19.696 11.359 -10.346 1.00 0.00 C ATOM 1564 CG HIS A 99 -18.746 12.519 -10.170 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -17.782 12.939 -11.091 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -18.694 13.327 -9.071 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -17.179 13.996 -10.520 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -17.709 14.252 -9.313 1.00 0.00 N ATOM 0 H HIS A 99 -18.800 11.840 -13.042 1.00 0.00 H new ATOM 0 HA HIS A 99 -21.067 10.477 -11.779 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -20.488 11.436 -9.601 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -19.160 10.431 -10.147 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -19.307 13.253 -8.185 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -16.377 14.562 -10.971 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -17.428 15.004 -8.684 1.00 0.00 H new ATOM 1576 N HIS A 100 -20.983 13.038 -13.314 1.00 0.00 N ATOM 1577 CA HIS A 100 -21.693 14.223 -13.778 1.00 0.00 C ATOM 1578 C HIS A 100 -23.208 14.026 -13.740 1.00 0.00 C ATOM 1579 O HIS A 100 -23.696 12.909 -13.555 1.00 0.00 O ATOM 1580 CB HIS A 100 -21.247 14.549 -15.202 1.00 0.00 C ATOM 1581 CG HIS A 100 -21.617 13.483 -16.201 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -21.069 12.198 -16.261 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -22.545 13.623 -17.193 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -21.693 11.595 -17.290 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -22.581 12.427 -17.866 1.00 0.00 N ATOM 0 H HIS A 100 -20.389 12.611 -14.024 1.00 0.00 H new ATOM 0 HA HIS A 100 -21.452 15.050 -13.110 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -21.694 15.495 -15.508 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -20.166 14.689 -15.214 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -23.135 14.502 -17.406 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -21.506 10.581 -17.610 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -23.177 12.207 -18.664 1.00 0.00 H new ATOM 1593 N SER A 101 -23.952 15.122 -13.919 1.00 0.00 N ATOM 1594 CA SER A 101 -25.411 15.125 -13.915 1.00 0.00 C ATOM 1595 C SER A 101 -25.928 16.157 -14.911 1.00 0.00 C ATOM 1596 O SER A 101 -26.815 15.785 -15.708 1.00 0.00 O ATOM 1597 CB SER A 101 -25.927 15.459 -12.516 1.00 0.00 C ATOM 1598 OG SER A 101 -25.509 14.477 -11.589 1.00 0.00 O ATOM 1599 OXT SER A 101 -25.431 17.305 -14.865 1.00 0.00 O ATOM 0 H SER A 101 -23.547 16.045 -14.073 1.00 0.00 H new ATOM 0 HA SER A 101 -25.769 14.136 -14.202 1.00 0.00 H new ATOM 0 HB2 SER A 101 -25.558 16.438 -12.210 1.00 0.00 H new ATOM 0 HB3 SER A 101 -27.015 15.518 -12.527 1.00 0.00 H new ATOM 0 HG SER A 101 -25.845 14.705 -10.697 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -13.228 -0.469 -13.406 1.00 0.00 O ATOM 1607 C5' U B 102 -13.705 -1.590 -12.689 1.00 0.00 C ATOM 1608 C4' U B 102 -12.663 -2.022 -11.656 1.00 0.00 C ATOM 1609 O4' U B 102 -12.560 -1.034 -10.652 1.00 0.00 O ATOM 1610 C3' U B 102 -13.110 -3.309 -10.969 1.00 0.00 C ATOM 1611 O3' U B 102 -12.040 -4.012 -10.360 1.00 0.00 O ATOM 1612 C2' U B 102 -14.016 -2.732 -9.891 1.00 0.00 C ATOM 1613 O2' U B 102 -14.161 -3.623 -8.800 1.00 0.00 O ATOM 1614 C1' U B 102 -13.286 -1.442 -9.506 1.00 0.00 C ATOM 1615 N1 U B 102 -14.251 -0.426 -8.991 1.00 0.00 N ATOM 1616 C2 U B 102 -14.257 0.877 -9.493 1.00 0.00 C ATOM 1617 O2 U B 102 -13.514 1.271 -10.391 1.00 0.00 O ATOM 1618 N3 U B 102 -15.169 1.751 -8.922 1.00 0.00 N ATOM 1619 C4 U B 102 -16.076 1.443 -7.920 1.00 0.00 C ATOM 1620 O4 U B 102 -16.841 2.299 -7.483 1.00 0.00 O ATOM 1621 C5 U B 102 -16.016 0.072 -7.479 1.00 0.00 C ATOM 1622 C6 U B 102 -15.125 -0.798 -8.008 1.00 0.00 C ATOM 0 H5' U B 102 -13.913 -2.411 -13.375 1.00 0.00 H new ATOM 0 H5'' U B 102 -14.643 -1.344 -12.192 1.00 0.00 H new ATOM 0 H4' U B 102 -11.712 -2.168 -12.168 1.00 0.00 H new ATOM 0 H3' U B 102 -13.559 -4.030 -11.652 1.00 0.00 H new ATOM 0 H2' U B 102 -15.040 -2.557 -10.222 1.00 0.00 H new ATOM 0 HO2' U B 102 -13.360 -4.183 -8.726 1.00 0.00 H new ATOM 0 HO5' U B 102 -13.897 -0.195 -14.068 1.00 0.00 H new ATOM 0 H1' U B 102 -12.585 -1.587 -8.684 1.00 0.00 H new ATOM 0 H3 U B 102 -15.173 2.709 -9.271 1.00 0.00 H new ATOM 0 H5 U B 102 -16.696 -0.267 -6.711 1.00 0.00 H new ATOM 0 H6 U B 102 -15.104 -1.814 -7.644 1.00 0.00 H new ATOM 1634 P G B 103 -10.707 -4.437 -11.166 1.00 0.00 P ATOM 1635 OP1 G B 103 -11.006 -4.467 -12.616 1.00 0.00 O ATOM 1636 OP2 G B 103 -10.128 -5.631 -10.511 1.00 0.00 O ATOM 1637 O5' G B 103 -9.760 -3.176 -10.856 1.00 0.00 O ATOM 1638 C5' G B 103 -9.390 -2.895 -9.523 1.00 0.00 C ATOM 1639 C4' G B 103 -8.815 -1.487 -9.365 1.00 0.00 C ATOM 1640 O4' G B 103 -7.444 -1.409 -9.722 1.00 0.00 O ATOM 1641 C3' G B 103 -9.555 -0.430 -10.201 1.00 0.00 C ATOM 1642 O3' G B 103 -10.325 0.474 -9.413 1.00 0.00 O ATOM 1643 C2' G B 103 -8.421 0.252 -10.960 1.00 0.00 C ATOM 1644 O2' G B 103 -8.633 1.629 -11.169 1.00 0.00 O ATOM 1645 C1' G B 103 -7.249 -0.050 -10.039 1.00 0.00 C ATOM 1646 N9 G B 103 -5.955 0.281 -10.667 1.00 0.00 N ATOM 1647 C8 G B 103 -5.309 1.490 -10.658 1.00 0.00 C ATOM 1648 N7 G B 103 -4.153 1.474 -11.262 1.00 0.00 N ATOM 1649 C5 G B 103 -4.031 0.160 -11.720 1.00 0.00 C ATOM 1650 C6 G B 103 -2.979 -0.470 -12.447 1.00 0.00 C ATOM 1651 O6 G B 103 -1.915 0.009 -12.827 1.00 0.00 O ATOM 1652 N1 G B 103 -3.262 -1.798 -12.728 1.00 0.00 N ATOM 1653 C2 G B 103 -4.410 -2.449 -12.354 1.00 0.00 C ATOM 1654 N2 G B 103 -4.519 -3.730 -12.706 1.00 0.00 N ATOM 1655 N3 G B 103 -5.399 -1.873 -11.667 1.00 0.00 N ATOM 1656 C4 G B 103 -5.146 -0.569 -11.382 1.00 0.00 C ATOM 0 H5' G B 103 -8.652 -3.626 -9.191 1.00 0.00 H new ATOM 0 H5'' G B 103 -10.260 -3.004 -8.876 1.00 0.00 H new ATOM 0 H4' G B 103 -8.944 -1.276 -8.303 1.00 0.00 H new ATOM 0 H3' G B 103 -10.308 -0.863 -10.860 1.00 0.00 H new ATOM 0 H2' G B 103 -8.289 -0.103 -11.982 1.00 0.00 H new ATOM 0 HO2' G B 103 -8.427 2.120 -10.346 1.00 0.00 H new ATOM 0 H1' G B 103 -7.213 0.558 -9.135 1.00 0.00 H new ATOM 0 H8 G B 103 -5.719 2.374 -10.194 1.00 0.00 H new ATOM 0 H1 G B 103 -2.566 -2.329 -13.251 1.00 0.00 H new ATOM 0 H21 G B 103 -5.353 -4.259 -12.452 1.00 0.00 H new ATOM 0 H22 G B 103 -3.768 -4.181 -13.229 1.00 0.00 H new ATOM 1668 P G B 104 -9.720 1.365 -8.204 1.00 0.00 P ATOM 1669 OP1 G B 104 -8.603 2.188 -8.718 1.00 0.00 O ATOM 1670 OP2 G B 104 -9.506 0.496 -7.026 1.00 0.00 O ATOM 1671 O5' G B 104 -10.939 2.357 -7.876 1.00 0.00 O ATOM 1672 C5' G B 104 -11.229 3.426 -8.750 1.00 0.00 C ATOM 1673 C4' G B 104 -11.666 4.629 -7.922 1.00 0.00 C ATOM 1674 O4' G B 104 -10.650 4.980 -6.994 1.00 0.00 O ATOM 1675 C3' G B 104 -11.893 5.870 -8.773 1.00 0.00 C ATOM 1676 O3' G B 104 -13.164 5.878 -9.397 1.00 0.00 O ATOM 1677 C2' G B 104 -11.713 6.968 -7.730 1.00 0.00 C ATOM 1678 O2' G B 104 -12.918 7.152 -7.022 1.00 0.00 O ATOM 1679 C1' G B 104 -10.646 6.383 -6.807 1.00 0.00 C ATOM 1680 N9 G B 104 -9.330 6.958 -7.162 1.00 0.00 N ATOM 1681 C8 G B 104 -8.660 7.987 -6.548 1.00 0.00 C ATOM 1682 N7 G B 104 -7.523 8.294 -7.105 1.00 0.00 N ATOM 1683 C5 G B 104 -7.407 7.375 -8.146 1.00 0.00 C ATOM 1684 C6 G B 104 -6.341 7.162 -9.070 1.00 0.00 C ATOM 1685 O6 G B 104 -5.280 7.776 -9.169 1.00 0.00 O ATOM 1686 N1 G B 104 -6.597 6.113 -9.940 1.00 0.00 N ATOM 1687 C2 G B 104 -7.764 5.380 -9.943 1.00 0.00 C ATOM 1688 N2 G B 104 -7.903 4.438 -10.872 1.00 0.00 N ATOM 1689 N3 G B 104 -8.756 5.563 -9.072 1.00 0.00 N ATOM 1690 C4 G B 104 -8.513 6.567 -8.193 1.00 0.00 C ATOM 0 H5' G B 104 -12.017 3.141 -9.447 1.00 0.00 H new ATOM 0 H5'' G B 104 -10.351 3.676 -9.346 1.00 0.00 H new ATOM 0 H4' G B 104 -12.594 4.331 -7.434 1.00 0.00 H new ATOM 0 H3' G B 104 -11.222 5.966 -9.627 1.00 0.00 H new ATOM 0 H2' G B 104 -11.440 7.936 -8.151 1.00 0.00 H new ATOM 0 HO2' G B 104 -13.649 7.311 -7.655 1.00 0.00 H new ATOM 0 H1' G B 104 -10.847 6.618 -5.762 1.00 0.00 H new ATOM 0 H8 G B 104 -9.043 8.498 -5.677 1.00 0.00 H new ATOM 0 H1 G B 104 -5.877 5.869 -10.620 1.00 0.00 H new ATOM 0 H21 G B 104 -8.753 3.876 -10.905 1.00 0.00 H new ATOM 0 H22 G B 104 -7.159 4.278 -11.551 1.00 0.00 H new ATOM 1702 P A B 105 -13.642 7.122 -10.301 1.00 0.00 P ATOM 1703 OP1 A B 105 -14.574 6.610 -11.332 1.00 0.00 O ATOM 1704 OP2 A B 105 -12.443 7.884 -10.719 1.00 0.00 O ATOM 1705 O5' A B 105 -14.489 8.038 -9.281 1.00 0.00 O ATOM 1706 C5' A B 105 -14.951 9.306 -9.694 1.00 0.00 C ATOM 1707 C4' A B 105 -15.730 10.079 -8.622 1.00 0.00 C ATOM 1708 O4' A B 105 -17.124 9.916 -8.825 1.00 0.00 O ATOM 1709 C3' A B 105 -15.432 9.630 -7.186 1.00 0.00 C ATOM 1710 O3' A B 105 -15.235 10.725 -6.297 1.00 0.00 O ATOM 1711 C2' A B 105 -16.635 8.742 -6.823 1.00 0.00 C ATOM 1712 O2' A B 105 -17.287 9.153 -5.639 1.00 0.00 O ATOM 1713 C1' A B 105 -17.603 8.872 -8.002 1.00 0.00 C ATOM 1714 N9 A B 105 -17.760 7.599 -8.740 1.00 0.00 N ATOM 1715 C8 A B 105 -16.894 6.548 -8.758 1.00 0.00 C ATOM 1716 N7 A B 105 -17.263 5.526 -9.475 1.00 0.00 N ATOM 1717 C5 A B 105 -18.501 5.926 -9.959 1.00 0.00 C ATOM 1718 C6 A B 105 -19.458 5.279 -10.764 1.00 0.00 C ATOM 1719 N6 A B 105 -19.291 4.059 -11.282 1.00 0.00 N ATOM 1720 N1 A B 105 -20.598 5.920 -11.024 1.00 0.00 N ATOM 1721 C2 A B 105 -20.780 7.130 -10.515 1.00 0.00 C ATOM 1722 N3 A B 105 -19.967 7.858 -9.765 1.00 0.00 N ATOM 1723 C4 A B 105 -18.819 7.186 -9.518 1.00 0.00 C ATOM 0 H5' A B 105 -15.589 9.179 -10.568 1.00 0.00 H new ATOM 0 H5'' A B 105 -14.096 9.906 -10.008 1.00 0.00 H new ATOM 0 H4' A B 105 -15.411 11.116 -8.729 1.00 0.00 H new ATOM 0 H3' A B 105 -14.491 9.086 -7.101 1.00 0.00 H new ATOM 0 H2' A B 105 -16.301 7.720 -6.643 1.00 0.00 H new ATOM 0 HO2' A B 105 -17.891 9.899 -5.840 1.00 0.00 H new ATOM 0 H1' A B 105 -18.604 9.111 -7.642 1.00 0.00 H new ATOM 0 H8 A B 105 -15.962 6.562 -8.213 1.00 0.00 H new ATOM 0 H61 A B 105 -20.024 3.645 -11.858 1.00 0.00 H new ATOM 0 H62 A B 105 -18.431 3.542 -11.101 1.00 0.00 H new ATOM 0 H2 A B 105 -21.730 7.589 -10.746 1.00 0.00 H new ATOM 1735 P G B 106 -16.249 11.976 -6.154 1.00 0.00 P ATOM 1736 OP1 G B 106 -17.634 11.546 -6.448 1.00 0.00 O ATOM 1737 OP2 G B 106 -15.666 13.137 -6.862 1.00 0.00 O ATOM 1738 O5' G B 106 -16.173 12.272 -4.572 1.00 0.00 O ATOM 1739 C5' G B 106 -16.786 11.400 -3.646 1.00 0.00 C ATOM 1740 C4' G B 106 -16.551 11.845 -2.198 1.00 0.00 C ATOM 1741 O4' G B 106 -15.292 11.395 -1.720 1.00 0.00 O ATOM 1742 C3' G B 106 -16.554 13.364 -2.073 1.00 0.00 C ATOM 1743 O3' G B 106 -17.035 13.724 -0.792 1.00 0.00 O ATOM 1744 C2' G B 106 -15.078 13.708 -2.272 1.00 0.00 C ATOM 1745 O2' G B 106 -14.661 14.756 -1.428 1.00 0.00 O ATOM 1746 C1' G B 106 -14.340 12.431 -1.881 1.00 0.00 C ATOM 1747 N9 G B 106 -13.273 12.059 -2.837 1.00 0.00 N ATOM 1748 C8 G B 106 -13.188 12.253 -4.192 1.00 0.00 C ATOM 1749 N7 G B 106 -12.075 11.830 -4.723 1.00 0.00 N ATOM 1750 C5 G B 106 -11.368 11.313 -3.638 1.00 0.00 C ATOM 1751 C6 G B 106 -10.073 10.722 -3.583 1.00 0.00 C ATOM 1752 O6 G B 106 -9.280 10.521 -4.503 1.00 0.00 O ATOM 1753 N1 G B 106 -9.729 10.354 -2.293 1.00 0.00 N ATOM 1754 C2 G B 106 -10.517 10.549 -1.185 1.00 0.00 C ATOM 1755 N2 G B 106 -10.015 10.169 -0.014 1.00 0.00 N ATOM 1756 N3 G B 106 -11.734 11.097 -1.225 1.00 0.00 N ATOM 1757 C4 G B 106 -12.094 11.452 -2.486 1.00 0.00 C ATOM 0 H5' G B 106 -16.395 10.392 -3.784 1.00 0.00 H new ATOM 0 H5'' G B 106 -17.857 11.356 -3.843 1.00 0.00 H new ATOM 0 H4' G B 106 -17.363 11.413 -1.614 1.00 0.00 H new ATOM 0 H3' G B 106 -17.194 13.892 -2.780 1.00 0.00 H new ATOM 0 H2' G B 106 -14.885 14.037 -3.293 1.00 0.00 H new ATOM 0 HO2' G B 106 -15.425 15.335 -1.224 1.00 0.00 H new ATOM 0 H1' G B 106 -13.820 12.605 -0.939 1.00 0.00 H new ATOM 0 H8 G B 106 -13.975 12.716 -4.769 1.00 0.00 H new ATOM 0 H1 G B 106 -8.824 9.905 -2.156 1.00 0.00 H new ATOM 0 H21 G B 106 -10.561 10.292 0.839 1.00 0.00 H new ATOM 0 H22 G B 106 -9.084 9.754 0.031 1.00 0.00 H new ATOM 1769 P U B 107 -17.821 15.113 -0.560 1.00 0.00 P ATOM 1770 OP1 U B 107 -18.344 15.116 0.828 1.00 0.00 O ATOM 1771 OP2 U B 107 -18.757 15.302 -1.690 1.00 0.00 O ATOM 1772 O5' U B 107 -16.660 16.233 -0.655 1.00 0.00 O ATOM 1773 C5' U B 107 -16.828 17.418 -1.411 1.00 0.00 C ATOM 1774 C4' U B 107 -16.040 17.368 -2.723 1.00 0.00 C ATOM 1775 O4' U B 107 -16.689 16.523 -3.663 1.00 0.00 O ATOM 1776 C3' U B 107 -16.025 18.774 -3.335 1.00 0.00 C ATOM 1777 O3' U B 107 -14.961 18.947 -4.247 1.00 0.00 O ATOM 1778 C2' U B 107 -17.352 18.744 -4.054 1.00 0.00 C ATOM 1779 O2' U B 107 -17.473 19.772 -5.019 1.00 0.00 O ATOM 1780 C1' U B 107 -17.289 17.343 -4.650 1.00 0.00 C ATOM 1781 N1 U B 107 -18.612 16.824 -5.056 1.00 0.00 N ATOM 1782 C2 U B 107 -18.764 16.364 -6.358 1.00 0.00 C ATOM 1783 O2 U B 107 -17.838 16.337 -7.165 1.00 0.00 O ATOM 1784 N3 U B 107 -20.032 15.930 -6.709 1.00 0.00 N ATOM 1785 C4 U B 107 -21.140 15.907 -5.880 1.00 0.00 C ATOM 1786 O4 U B 107 -22.223 15.506 -6.296 1.00 0.00 O ATOM 1787 C5 U B 107 -20.886 16.383 -4.541 1.00 0.00 C ATOM 1788 C6 U B 107 -19.655 16.818 -4.175 1.00 0.00 C ATOM 0 H5' U B 107 -16.501 18.275 -0.822 1.00 0.00 H new ATOM 0 H5'' U B 107 -17.886 17.565 -1.627 1.00 0.00 H new ATOM 0 H4' U B 107 -15.037 16.998 -2.510 1.00 0.00 H new ATOM 0 H3' U B 107 -15.891 19.583 -2.617 1.00 0.00 H new ATOM 0 H2' U B 107 -18.226 18.925 -3.429 1.00 0.00 H new ATOM 0 HO2' U B 107 -18.347 19.708 -5.457 1.00 0.00 H new ATOM 0 HO3' U B 107 -15.311 19.285 -5.098 1.00 0.00 H new ATOM 0 H1' U B 107 -16.708 17.355 -5.572 1.00 0.00 H new ATOM 0 H3 U B 107 -20.161 15.597 -7.665 1.00 0.00 H new ATOM 0 H5 U B 107 -21.689 16.393 -3.819 1.00 0.00 H new ATOM 0 H6 U B 107 -19.496 17.167 -3.165 1.00 0.00 H new TER 1800 U B 107