USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=34 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 -138:sc= -1.54 (180deg=-3.51!) USER MOD Set 1.2: A 89 MET CE :methyl 164:sc= -0.952 (180deg=-0.607) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0.0689 USER MOD Set 2.2: A 29 THR OG1 : rot 86:sc= 0.0696 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.44 (180deg=0.955) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0447 USER MOD Single : A 3 TYR OH : rot 30:sc= 0.235 USER MOD Single : A 13 MET CE :methyl -169:sc= -0.636 (180deg=-1) USER MOD Single : A 14 THR OG1 : rot 120:sc=-0.00479 USER MOD Single : A 15 SER OG : rot 170:sc= 0.635 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 1.28 (180deg=0.555) USER MOD Single : A 20 ASN : amide:sc= -2.36 X(o=-2.4,f=-1.9!) USER MOD Single : A 22 THR OG1 : rot 141:sc= 0.107 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -160:sc= -0.0112 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -155:sc= 1.35 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.257 USER MOD Single : A 50 TYR OH : rot 99:sc= 0.0439 USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc=-0.00622 (180deg=-0.107) USER MOD Single : A 54 SER OG : rot 180:sc= -0.126 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -3.83 F(o=-5.6!,f=-3.8) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0754) USER MOD Single : A 75 MET CE :methyl 178:sc= -4.36 (180deg=-4.46) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -1.05 X(o=-1,f=-1.1) USER MOD Single : A 100 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 27:sc= 0.146 USER MOD Single : B 102 U O5' : rot 180:sc= -0.0934 USER MOD Single : B 103 G O2' : rot 84:sc= 0.867 USER MOD Single : B 104 G O2' : rot 14:sc= -1.8 USER MOD Single : B 105 A O2' : rot 56:sc= 0.974 USER MOD Single : B 106 G O2' : rot 60:sc= 1.92 USER MOD Single : B 107 U O2' : rot 176:sc= 0 USER MOD Single : B 107 U O3' : rot 130:sc= -0.233 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.888 17.468 4.617 1.00 0.00 N ATOM 2 CA MET A 1 -4.710 16.909 3.529 1.00 0.00 C ATOM 3 C MET A 1 -6.122 16.625 4.026 1.00 0.00 C ATOM 4 O MET A 1 -6.340 16.452 5.226 1.00 0.00 O ATOM 5 CB MET A 1 -4.088 15.632 2.948 1.00 0.00 C ATOM 6 CG MET A 1 -2.784 15.914 2.196 1.00 0.00 C ATOM 7 SD MET A 1 -1.384 16.433 3.224 1.00 0.00 S ATOM 8 CE MET A 1 -0.126 16.611 1.933 1.00 0.00 C ATOM 0 H1 MET A 1 -2.888 17.468 4.332 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.191 18.443 4.815 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.004 16.889 5.473 1.00 0.00 H new ATOM 0 HA MET A 1 -4.752 17.652 2.732 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.895 14.925 3.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.800 15.158 2.272 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.498 15.014 1.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.974 16.689 1.454 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.815 16.928 2.383 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.017 15.655 1.430 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.451 17.357 1.208 1.00 0.00 H new ATOM 18 N SER A 2 -7.086 16.570 3.106 1.00 0.00 N ATOM 19 CA SER A 2 -8.478 16.286 3.418 1.00 0.00 C ATOM 20 C SER A 2 -9.133 15.541 2.258 1.00 0.00 C ATOM 21 O SER A 2 -8.452 15.153 1.311 1.00 0.00 O ATOM 22 CB SER A 2 -9.213 17.590 3.711 1.00 0.00 C ATOM 23 OG SER A 2 -9.292 18.388 2.548 1.00 0.00 O ATOM 0 H SER A 2 -6.915 16.724 2.112 1.00 0.00 H new ATOM 0 HA SER A 2 -8.530 15.651 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.216 17.374 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.695 18.137 4.499 1.00 0.00 H new ATOM 0 HG SER A 2 -9.768 19.220 2.754 1.00 0.00 H new ATOM 29 N TYR A 3 -10.451 15.339 2.331 1.00 0.00 N ATOM 30 CA TYR A 3 -11.192 14.552 1.359 1.00 0.00 C ATOM 31 C TYR A 3 -12.458 15.279 0.932 1.00 0.00 C ATOM 32 O TYR A 3 -13.469 14.650 0.628 1.00 0.00 O ATOM 33 CB TYR A 3 -11.502 13.177 1.941 1.00 0.00 C ATOM 34 CG TYR A 3 -10.249 12.398 2.247 1.00 0.00 C ATOM 35 CD1 TYR A 3 -9.568 12.621 3.449 1.00 0.00 C ATOM 36 CD2 TYR A 3 -9.769 11.469 1.316 1.00 0.00 C ATOM 37 CE1 TYR A 3 -8.394 11.906 3.731 1.00 0.00 C ATOM 38 CE2 TYR A 3 -8.595 10.755 1.589 1.00 0.00 C ATOM 39 CZ TYR A 3 -7.899 10.975 2.795 1.00 0.00 C ATOM 40 OH TYR A 3 -6.755 10.284 3.056 1.00 0.00 O ATOM 0 H TYR A 3 -11.033 15.723 3.075 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.582 14.415 0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -12.088 13.293 2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -12.115 12.615 1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.945 13.342 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -10.302 11.303 0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.871 12.068 4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.223 10.035 0.875 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.661 10.160 4.024 1.00 0.00 H new ATOM 50 N GLY A 4 -12.397 16.611 0.911 1.00 0.00 N ATOM 51 CA GLY A 4 -13.486 17.457 0.456 1.00 0.00 C ATOM 52 C GLY A 4 -13.022 18.238 -0.772 1.00 0.00 C ATOM 53 O GLY A 4 -13.017 19.472 -0.774 1.00 0.00 O ATOM 0 H GLY A 4 -11.576 17.134 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.358 16.851 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.787 18.143 1.248 1.00 0.00 H new ATOM 57 N ARG A 5 -12.636 17.483 -1.805 1.00 0.00 N ATOM 58 CA ARG A 5 -12.158 17.940 -3.104 1.00 0.00 C ATOM 59 C ARG A 5 -11.126 19.073 -3.073 1.00 0.00 C ATOM 60 O ARG A 5 -11.262 20.040 -3.821 1.00 0.00 O ATOM 61 CB ARG A 5 -13.321 18.209 -4.054 1.00 0.00 C ATOM 62 CG ARG A 5 -14.329 19.193 -3.475 1.00 0.00 C ATOM 63 CD ARG A 5 -15.410 19.402 -4.520 1.00 0.00 C ATOM 64 NE ARG A 5 -15.006 20.382 -5.536 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.095 21.706 -5.375 1.00 0.00 C ATOM 66 NH1 ARG A 5 -15.571 22.225 -4.246 1.00 0.00 N ATOM 67 NH2 ARG A 5 -14.701 22.523 -6.350 1.00 0.00 N ATOM 0 H ARG A 5 -12.652 16.465 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.581 17.106 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.935 18.601 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.825 17.270 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.758 18.804 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.845 20.138 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.637 18.451 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.325 19.739 -4.033 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.635 20.031 -6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.873 21.611 -3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.633 23.237 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.331 22.138 -7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.769 23.533 -6.227 1.00 0.00 H new ATOM 81 N PRO A 6 -10.087 18.980 -2.229 1.00 0.00 N ATOM 82 CA PRO A 6 -8.981 19.918 -2.247 1.00 0.00 C ATOM 83 C PRO A 6 -8.093 19.599 -3.452 1.00 0.00 C ATOM 84 O PRO A 6 -8.086 18.458 -3.913 1.00 0.00 O ATOM 85 CB PRO A 6 -8.219 19.657 -0.943 1.00 0.00 C ATOM 86 CG PRO A 6 -8.428 18.160 -0.737 1.00 0.00 C ATOM 87 CD PRO A 6 -9.863 17.956 -1.217 1.00 0.00 C ATOM 0 HA PRO A 6 -9.300 20.957 -2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.163 19.912 -1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.619 20.241 -0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.719 17.568 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.305 17.873 0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.999 16.958 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.570 18.057 -0.394 1.00 0.00 H new ATOM 95 N PRO A 7 -7.342 20.578 -3.970 1.00 0.00 N ATOM 96 CA PRO A 7 -6.399 20.373 -5.055 1.00 0.00 C ATOM 97 C PRO A 7 -5.155 19.649 -4.537 1.00 0.00 C ATOM 98 O PRO A 7 -4.397 20.211 -3.746 1.00 0.00 O ATOM 99 CB PRO A 7 -6.065 21.779 -5.549 1.00 0.00 C ATOM 100 CG PRO A 7 -6.217 22.640 -4.297 1.00 0.00 C ATOM 101 CD PRO A 7 -7.360 21.960 -3.538 1.00 0.00 C ATOM 0 HA PRO A 7 -6.801 19.754 -5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.054 21.833 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.743 22.098 -6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.300 22.660 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.458 23.673 -4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.216 22.036 -2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.317 22.430 -3.766 1.00 0.00 H new ATOM 109 N PRO A 8 -4.930 18.402 -4.971 1.00 0.00 N ATOM 110 CA PRO A 8 -3.782 17.613 -4.569 1.00 0.00 C ATOM 111 C PRO A 8 -2.568 17.942 -5.441 1.00 0.00 C ATOM 112 O PRO A 8 -2.553 18.940 -6.158 1.00 0.00 O ATOM 113 CB PRO A 8 -4.243 16.178 -4.797 1.00 0.00 C ATOM 114 CG PRO A 8 -5.071 16.299 -6.072 1.00 0.00 C ATOM 115 CD PRO A 8 -5.769 17.644 -5.885 1.00 0.00 C ATOM 0 HA PRO A 8 -3.472 17.801 -3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.402 15.496 -4.922 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.835 15.804 -3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.446 16.287 -6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.785 15.481 -6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.879 18.163 -6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.771 17.511 -5.477 1.00 0.00 H new ATOM 123 N ASP A 9 -1.543 17.090 -5.377 1.00 0.00 N ATOM 124 CA ASP A 9 -0.327 17.222 -6.169 1.00 0.00 C ATOM 125 C ASP A 9 0.030 15.867 -6.794 1.00 0.00 C ATOM 126 O ASP A 9 1.184 15.593 -7.114 1.00 0.00 O ATOM 127 CB ASP A 9 0.793 17.779 -5.283 1.00 0.00 C ATOM 128 CG ASP A 9 2.046 18.123 -6.089 1.00 0.00 C ATOM 129 OD1 ASP A 9 1.904 18.787 -7.141 1.00 0.00 O ATOM 130 OD2 ASP A 9 3.143 17.719 -5.640 1.00 0.00 O ATOM 0 H ASP A 9 -1.538 16.276 -4.762 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.475 17.924 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.437 18.671 -4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.046 17.047 -4.516 1.00 0.00 H new ATOM 135 N VAL A 10 -0.986 15.012 -6.963 1.00 0.00 N ATOM 136 CA VAL A 10 -0.847 13.665 -7.507 1.00 0.00 C ATOM 137 C VAL A 10 -0.386 13.666 -8.963 1.00 0.00 C ATOM 138 O VAL A 10 -0.119 12.611 -9.535 1.00 0.00 O ATOM 139 CB VAL A 10 -2.178 12.917 -7.382 1.00 0.00 C ATOM 140 CG1 VAL A 10 -2.552 12.756 -5.912 1.00 0.00 C ATOM 141 CG2 VAL A 10 -3.306 13.660 -8.106 1.00 0.00 C ATOM 0 H VAL A 10 -1.948 15.248 -6.718 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.076 13.158 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.051 11.938 -7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.500 12.223 -5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.774 12.191 -5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.650 13.739 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.237 13.103 -7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.425 14.653 -7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.060 13.754 -9.164 1.00 0.00 H new ATOM 151 N GLU A 11 -0.291 14.847 -9.575 1.00 0.00 N ATOM 152 CA GLU A 11 0.129 15.013 -10.963 1.00 0.00 C ATOM 153 C GLU A 11 1.629 14.774 -11.148 1.00 0.00 C ATOM 154 O GLU A 11 2.152 15.001 -12.237 1.00 0.00 O ATOM 155 CB GLU A 11 -0.255 16.422 -11.427 1.00 0.00 C ATOM 156 CG GLU A 11 0.432 17.492 -10.576 1.00 0.00 C ATOM 157 CD GLU A 11 0.063 18.888 -11.070 1.00 0.00 C ATOM 158 OE1 GLU A 11 -1.035 19.365 -10.696 1.00 0.00 O ATOM 159 OE2 GLU A 11 0.875 19.477 -11.820 1.00 0.00 O ATOM 0 H GLU A 11 -0.508 15.729 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.380 14.265 -11.570 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.023 16.552 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.336 16.545 -11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.137 17.380 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.513 17.359 -10.618 1.00 0.00 H new ATOM 166 N GLY A 12 2.327 14.322 -10.104 1.00 0.00 N ATOM 167 CA GLY A 12 3.771 14.154 -10.143 1.00 0.00 C ATOM 168 C GLY A 12 4.282 13.227 -9.045 1.00 0.00 C ATOM 169 O GLY A 12 5.316 13.512 -8.441 1.00 0.00 O ATOM 0 H GLY A 12 1.903 14.064 -9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.061 13.755 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.250 15.128 -10.043 1.00 0.00 H new ATOM 173 N MET A 13 3.574 12.123 -8.776 1.00 0.00 N ATOM 174 CA MET A 13 3.979 11.181 -7.736 1.00 0.00 C ATOM 175 C MET A 13 3.899 9.723 -8.199 1.00 0.00 C ATOM 176 O MET A 13 3.404 9.429 -9.287 1.00 0.00 O ATOM 177 CB MET A 13 3.125 11.386 -6.484 1.00 0.00 C ATOM 178 CG MET A 13 1.684 10.924 -6.712 1.00 0.00 C ATOM 179 SD MET A 13 0.760 10.514 -5.205 1.00 0.00 S ATOM 180 CE MET A 13 0.876 12.072 -4.293 1.00 0.00 C ATOM 0 H MET A 13 2.718 11.864 -9.267 1.00 0.00 H new ATOM 0 HA MET A 13 5.025 11.384 -7.506 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.559 10.833 -5.651 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.132 12.440 -6.205 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.148 11.708 -7.246 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.698 10.048 -7.361 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.529 11.922 -3.271 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.913 12.409 -4.279 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.256 12.825 -4.779 1.00 0.00 H new ATOM 190 N THR A 14 4.394 8.807 -7.353 1.00 0.00 N ATOM 191 CA THR A 14 4.452 7.379 -7.652 1.00 0.00 C ATOM 192 C THR A 14 3.065 6.725 -7.692 1.00 0.00 C ATOM 193 O THR A 14 2.895 5.692 -8.340 1.00 0.00 O ATOM 194 CB THR A 14 5.365 6.706 -6.619 1.00 0.00 C ATOM 195 OG1 THR A 14 6.703 7.037 -6.915 1.00 0.00 O ATOM 196 CG2 THR A 14 5.233 5.184 -6.641 1.00 0.00 C ATOM 0 H THR A 14 4.768 9.045 -6.434 1.00 0.00 H new ATOM 0 HA THR A 14 4.862 7.246 -8.653 1.00 0.00 H new ATOM 0 HB THR A 14 5.071 7.061 -5.631 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.099 7.510 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.897 4.750 -5.894 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.203 4.905 -6.417 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.504 4.810 -7.628 1.00 0.00 H new ATOM 203 N SER A 15 2.075 7.317 -7.015 1.00 0.00 N ATOM 204 CA SER A 15 0.699 6.831 -6.965 1.00 0.00 C ATOM 205 C SER A 15 0.582 5.321 -6.735 1.00 0.00 C ATOM 206 O SER A 15 -0.312 4.688 -7.298 1.00 0.00 O ATOM 207 CB SER A 15 -0.055 7.249 -8.231 1.00 0.00 C ATOM 208 OG SER A 15 -0.026 8.653 -8.366 1.00 0.00 O ATOM 0 H SER A 15 2.216 8.170 -6.474 1.00 0.00 H new ATOM 0 HA SER A 15 0.240 7.297 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.398 6.782 -9.105 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.087 6.901 -8.182 1.00 0.00 H new ATOM 0 HG SER A 15 -0.365 8.904 -9.251 1.00 0.00 H new ATOM 214 N LEU A 16 1.461 4.723 -5.919 1.00 0.00 N ATOM 215 CA LEU A 16 1.375 3.280 -5.668 1.00 0.00 C ATOM 216 C LEU A 16 0.019 2.974 -5.032 1.00 0.00 C ATOM 217 O LEU A 16 -0.402 3.661 -4.101 1.00 0.00 O ATOM 218 CB LEU A 16 2.586 2.829 -4.842 1.00 0.00 C ATOM 219 CG LEU A 16 2.556 1.444 -4.170 1.00 0.00 C ATOM 220 CD1 LEU A 16 1.597 1.386 -2.985 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.253 0.327 -5.163 1.00 0.00 C ATOM 0 H LEU A 16 2.220 5.201 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 16 1.421 2.703 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.459 2.860 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.746 3.571 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 16 3.562 1.283 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.616 0.387 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.902 2.115 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.586 1.615 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.243 -0.630 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.279 0.501 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.020 0.310 -5.937 1.00 0.00 H new ATOM 233 N LYS A 17 -0.658 1.944 -5.545 1.00 0.00 N ATOM 234 CA LYS A 17 -2.030 1.618 -5.190 1.00 0.00 C ATOM 235 C LYS A 17 -2.113 0.383 -4.302 1.00 0.00 C ATOM 236 O LYS A 17 -1.309 -0.531 -4.439 1.00 0.00 O ATOM 237 CB LYS A 17 -2.796 1.356 -6.489 1.00 0.00 C ATOM 238 CG LYS A 17 -4.204 0.816 -6.229 1.00 0.00 C ATOM 239 CD LYS A 17 -4.849 0.363 -7.541 1.00 0.00 C ATOM 240 CE LYS A 17 -4.086 -0.808 -8.161 1.00 0.00 C ATOM 241 NZ LYS A 17 -3.977 -1.949 -7.232 1.00 0.00 N ATOM 0 H LYS A 17 -0.255 1.305 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.457 2.450 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.863 2.281 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.242 0.642 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.157 -0.020 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.816 1.587 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.883 0.070 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.873 1.196 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.592 -1.129 -9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.088 -0.479 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.940 -2.836 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.110 -1.854 -6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.803 -1.963 -6.601 1.00 0.00 H new ATOM 255 N VAL A 18 -3.097 0.356 -3.399 1.00 0.00 N ATOM 256 CA VAL A 18 -3.394 -0.850 -2.625 1.00 0.00 C ATOM 257 C VAL A 18 -4.895 -1.142 -2.623 1.00 0.00 C ATOM 258 O VAL A 18 -5.700 -0.224 -2.787 1.00 0.00 O ATOM 259 CB VAL A 18 -2.875 -0.741 -1.184 1.00 0.00 C ATOM 260 CG1 VAL A 18 -1.655 0.172 -1.070 1.00 0.00 C ATOM 261 CG2 VAL A 18 -3.977 -0.243 -0.248 1.00 0.00 C ATOM 0 H VAL A 18 -3.698 1.152 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.876 -1.678 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.569 -1.744 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.328 0.214 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.848 -0.220 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.918 1.174 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.588 -0.173 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.316 0.740 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.814 -0.940 -0.268 1.00 0.00 H new ATOM 271 N ASP A 19 -5.240 -2.420 -2.432 1.00 0.00 N ATOM 272 CA ASP A 19 -6.607 -2.931 -2.420 1.00 0.00 C ATOM 273 C ASP A 19 -6.697 -4.215 -1.579 1.00 0.00 C ATOM 274 O ASP A 19 -5.725 -4.581 -0.917 1.00 0.00 O ATOM 275 CB ASP A 19 -7.044 -3.268 -3.851 1.00 0.00 C ATOM 276 CG ASP A 19 -7.029 -2.058 -4.773 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.934 -1.210 -4.623 1.00 0.00 O ATOM 278 OD2 ASP A 19 -6.110 -2.004 -5.618 1.00 0.00 O ATOM 0 H ASP A 19 -4.546 -3.151 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.252 -2.164 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.385 -4.036 -4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.049 -3.690 -3.829 1.00 0.00 H new ATOM 283 N ASN A 20 -7.860 -4.888 -1.624 1.00 0.00 N ATOM 284 CA ASN A 20 -8.113 -6.234 -1.098 1.00 0.00 C ATOM 285 C ASN A 20 -8.673 -6.233 0.326 1.00 0.00 C ATOM 286 O ASN A 20 -8.481 -7.197 1.071 1.00 0.00 O ATOM 287 CB ASN A 20 -6.872 -7.125 -1.222 1.00 0.00 C ATOM 288 CG ASN A 20 -7.198 -8.523 -1.711 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.113 -8.729 -2.500 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.438 -9.505 -1.237 1.00 0.00 N ATOM 0 H ASN A 20 -8.692 -4.482 -2.052 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.897 -6.662 -1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.164 -6.661 -1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.379 -7.190 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.608 -10.468 -1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.685 -9.296 -0.581 1.00 0.00 H new ATOM 297 N LEU A 21 -9.362 -5.156 0.716 1.00 0.00 N ATOM 298 CA LEU A 21 -9.919 -4.974 2.046 1.00 0.00 C ATOM 299 C LEU A 21 -10.815 -6.157 2.387 1.00 0.00 C ATOM 300 O LEU A 21 -11.712 -6.516 1.621 1.00 0.00 O ATOM 301 CB LEU A 21 -10.748 -3.681 2.090 1.00 0.00 C ATOM 302 CG LEU A 21 -9.929 -2.383 2.134 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.559 -2.073 3.575 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.648 -2.436 1.299 1.00 0.00 C ATOM 0 H LEU A 21 -9.549 -4.370 0.093 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.106 -4.908 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.396 -3.654 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.396 -3.713 2.966 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.559 -1.605 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.977 -1.152 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.467 -1.952 4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.967 -2.892 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.122 -1.485 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.007 -3.237 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.901 -2.624 0.256 1.00 0.00 H new ATOM 316 N THR A 22 -10.569 -6.765 3.541 1.00 0.00 N ATOM 317 CA THR A 22 -11.361 -7.882 4.010 1.00 0.00 C ATOM 318 C THR A 22 -12.694 -7.378 4.567 1.00 0.00 C ATOM 319 O THR A 22 -12.875 -6.175 4.764 1.00 0.00 O ATOM 320 CB THR A 22 -10.556 -8.644 5.070 1.00 0.00 C ATOM 321 OG1 THR A 22 -9.242 -8.840 4.599 1.00 0.00 O ATOM 322 CG2 THR A 22 -11.159 -10.010 5.373 1.00 0.00 C ATOM 0 H THR A 22 -9.815 -6.494 4.173 1.00 0.00 H new ATOM 0 HA THR A 22 -11.587 -8.561 3.188 1.00 0.00 H new ATOM 0 HB THR A 22 -10.569 -8.049 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.609 -8.723 5.338 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.557 -10.514 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.176 -9.884 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.176 -10.610 4.463 1.00 0.00 H new ATOM 329 N TYR A 23 -13.636 -8.290 4.824 1.00 0.00 N ATOM 330 CA TYR A 23 -14.954 -7.980 5.375 1.00 0.00 C ATOM 331 C TYR A 23 -14.880 -7.393 6.789 1.00 0.00 C ATOM 332 O TYR A 23 -15.917 -7.191 7.422 1.00 0.00 O ATOM 333 CB TYR A 23 -15.792 -9.259 5.371 1.00 0.00 C ATOM 334 CG TYR A 23 -15.229 -10.353 6.252 1.00 0.00 C ATOM 335 CD1 TYR A 23 -14.291 -11.262 5.736 1.00 0.00 C ATOM 336 CD2 TYR A 23 -15.646 -10.461 7.588 1.00 0.00 C ATOM 337 CE1 TYR A 23 -13.759 -12.272 6.549 1.00 0.00 C ATOM 338 CE2 TYR A 23 -15.128 -11.475 8.407 1.00 0.00 C ATOM 339 CZ TYR A 23 -14.183 -12.388 7.891 1.00 0.00 C ATOM 340 OH TYR A 23 -13.683 -13.375 8.688 1.00 0.00 O ATOM 0 H TYR A 23 -13.498 -9.286 4.650 1.00 0.00 H new ATOM 0 HA TYR A 23 -15.416 -7.215 4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.803 -9.022 5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.869 -9.630 4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.977 -11.182 4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.367 -9.762 7.986 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -13.027 -12.959 6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -15.453 -11.557 9.434 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.082 -13.308 9.581 1.00 0.00 H new ATOM 350 N ARG A 24 -13.669 -7.123 7.282 1.00 0.00 N ATOM 351 CA ARG A 24 -13.413 -6.663 8.639 1.00 0.00 C ATOM 352 C ARG A 24 -12.368 -5.545 8.657 1.00 0.00 C ATOM 353 O ARG A 24 -11.766 -5.281 9.695 1.00 0.00 O ATOM 354 CB ARG A 24 -12.962 -7.872 9.461 1.00 0.00 C ATOM 355 CG ARG A 24 -11.668 -8.464 8.889 1.00 0.00 C ATOM 356 CD ARG A 24 -11.483 -9.877 9.421 1.00 0.00 C ATOM 357 NE ARG A 24 -10.308 -10.526 8.819 1.00 0.00 N ATOM 358 CZ ARG A 24 -9.970 -11.794 9.049 1.00 0.00 C ATOM 359 NH1 ARG A 24 -10.672 -12.547 9.890 1.00 0.00 N ATOM 360 NH2 ARG A 24 -8.920 -12.324 8.433 1.00 0.00 N ATOM 0 H ARG A 24 -12.818 -7.223 6.728 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.319 -6.238 9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.805 -7.575 10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.745 -8.630 9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.710 -8.476 7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.816 -7.844 9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.369 -9.848 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.375 -10.467 9.210 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.721 -9.976 8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.482 -12.156 10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.400 -13.516 10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.372 -11.760 7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.662 -13.295 8.609 1.00 0.00 H new ATOM 374 N THR A 25 -12.155 -4.894 7.508 1.00 0.00 N ATOM 375 CA THR A 25 -11.150 -3.849 7.361 1.00 0.00 C ATOM 376 C THR A 25 -11.810 -2.524 6.967 1.00 0.00 C ATOM 377 O THR A 25 -12.975 -2.500 6.568 1.00 0.00 O ATOM 378 CB THR A 25 -10.101 -4.288 6.331 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.838 -5.668 6.461 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.779 -3.549 6.545 1.00 0.00 C ATOM 0 H THR A 25 -12.680 -5.082 6.654 1.00 0.00 H new ATOM 0 HA THR A 25 -10.647 -3.690 8.315 1.00 0.00 H new ATOM 0 HB THR A 25 -10.502 -4.060 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.975 -5.877 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.053 -3.879 5.802 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.941 -2.476 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.399 -3.765 7.544 1.00 0.00 H new ATOM 387 N SER A 26 -11.060 -1.426 7.076 1.00 0.00 N ATOM 388 CA SER A 26 -11.546 -0.073 6.833 1.00 0.00 C ATOM 389 C SER A 26 -10.393 0.799 6.336 1.00 0.00 C ATOM 390 O SER A 26 -9.235 0.402 6.471 1.00 0.00 O ATOM 391 CB SER A 26 -12.092 0.468 8.156 1.00 0.00 C ATOM 392 OG SER A 26 -11.036 0.614 9.083 1.00 0.00 O ATOM 0 H SER A 26 -10.076 -1.457 7.342 1.00 0.00 H new ATOM 0 HA SER A 26 -12.330 -0.069 6.076 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.581 1.428 7.993 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.847 -0.211 8.554 1.00 0.00 H new ATOM 0 HG SER A 26 -11.389 0.962 9.929 1.00 0.00 H new ATOM 398 N PRO A 27 -10.671 1.980 5.765 1.00 0.00 N ATOM 399 CA PRO A 27 -9.634 2.858 5.239 1.00 0.00 C ATOM 400 C PRO A 27 -8.808 3.464 6.370 1.00 0.00 C ATOM 401 O PRO A 27 -7.662 3.855 6.156 1.00 0.00 O ATOM 402 CB PRO A 27 -10.373 3.938 4.452 1.00 0.00 C ATOM 403 CG PRO A 27 -11.741 3.998 5.133 1.00 0.00 C ATOM 404 CD PRO A 27 -11.986 2.562 5.572 1.00 0.00 C ATOM 0 HA PRO A 27 -8.929 2.318 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.856 4.897 4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.460 3.678 3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.736 4.681 5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.515 4.345 4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.568 2.528 6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.550 2.013 4.818 1.00 0.00 H new ATOM 412 N ASP A 28 -9.377 3.543 7.574 1.00 0.00 N ATOM 413 CA ASP A 28 -8.639 4.055 8.721 1.00 0.00 C ATOM 414 C ASP A 28 -7.570 3.056 9.147 1.00 0.00 C ATOM 415 O ASP A 28 -6.486 3.442 9.583 1.00 0.00 O ATOM 416 CB ASP A 28 -9.589 4.303 9.889 1.00 0.00 C ATOM 417 CG ASP A 28 -8.876 5.041 11.022 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.523 6.223 10.814 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.694 4.415 12.091 1.00 0.00 O ATOM 0 H ASP A 28 -10.336 3.261 7.775 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.164 4.993 8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.444 4.887 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.977 3.353 10.256 1.00 0.00 H new ATOM 424 N THR A 29 -7.868 1.761 9.022 1.00 0.00 N ATOM 425 CA THR A 29 -6.886 0.734 9.313 1.00 0.00 C ATOM 426 C THR A 29 -5.901 0.664 8.158 1.00 0.00 C ATOM 427 O THR A 29 -4.698 0.573 8.366 1.00 0.00 O ATOM 428 CB THR A 29 -7.575 -0.618 9.497 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.457 -0.563 10.595 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.522 -1.691 9.762 1.00 0.00 C ATOM 0 H THR A 29 -8.777 1.408 8.723 1.00 0.00 H new ATOM 0 HA THR A 29 -6.359 0.978 10.236 1.00 0.00 H new ATOM 0 HB THR A 29 -8.134 -0.858 8.593 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.323 -0.212 10.301 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.011 -2.656 9.894 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.836 -1.744 8.917 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.966 -1.440 10.665 1.00 0.00 H new ATOM 437 N LEU A 30 -6.402 0.715 6.924 1.00 0.00 N ATOM 438 CA LEU A 30 -5.534 0.667 5.756 1.00 0.00 C ATOM 439 C LEU A 30 -4.504 1.789 5.798 1.00 0.00 C ATOM 440 O LEU A 30 -3.460 1.698 5.154 1.00 0.00 O ATOM 441 CB LEU A 30 -6.408 0.731 4.504 1.00 0.00 C ATOM 442 CG LEU A 30 -6.231 -0.470 3.567 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.875 -0.414 2.884 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.358 -1.798 4.307 1.00 0.00 C ATOM 0 H LEU A 30 -7.397 0.789 6.712 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.969 -0.265 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.454 0.795 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.177 1.645 3.957 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.027 -0.412 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.765 -1.273 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.799 0.504 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.087 -0.433 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.226 -2.620 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.594 -1.857 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.345 -1.867 4.764 1.00 0.00 H new ATOM 456 N ARG A 31 -4.788 2.852 6.557 1.00 0.00 N ATOM 457 CA ARG A 31 -3.886 3.981 6.697 1.00 0.00 C ATOM 458 C ARG A 31 -2.816 3.658 7.725 1.00 0.00 C ATOM 459 O ARG A 31 -1.636 3.738 7.403 1.00 0.00 O ATOM 460 CB ARG A 31 -4.673 5.205 7.156 1.00 0.00 C ATOM 461 CG ARG A 31 -3.776 6.417 7.452 1.00 0.00 C ATOM 462 CD ARG A 31 -2.834 6.760 6.295 1.00 0.00 C ATOM 463 NE ARG A 31 -1.998 7.915 6.634 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.018 9.102 6.019 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.849 9.342 5.008 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.189 10.052 6.430 1.00 0.00 N ATOM 0 H ARG A 31 -5.653 2.946 7.089 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.414 4.186 5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.397 5.474 6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.239 4.951 8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.403 7.281 7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.186 6.216 8.346 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.202 5.902 6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.415 6.976 5.398 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.343 7.803 7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.487 8.613 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.848 10.255 4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.550 9.871 7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.191 10.964 5.972 1.00 0.00 H new ATOM 480 N ARG A 32 -3.209 3.298 8.950 1.00 0.00 N ATOM 481 CA ARG A 32 -2.237 3.016 9.998 1.00 0.00 C ATOM 482 C ARG A 32 -1.325 1.865 9.580 1.00 0.00 C ATOM 483 O ARG A 32 -0.164 1.809 9.983 1.00 0.00 O ATOM 484 CB ARG A 32 -2.963 2.689 11.306 1.00 0.00 C ATOM 485 CG ARG A 32 -3.292 1.197 11.359 1.00 0.00 C ATOM 486 CD ARG A 32 -4.078 0.827 12.597 1.00 0.00 C ATOM 487 NE ARG A 32 -3.305 1.049 13.823 1.00 0.00 N ATOM 488 CZ ARG A 32 -3.795 0.907 15.058 1.00 0.00 C ATOM 489 NH1 ARG A 32 -5.060 0.538 15.247 1.00 0.00 N ATOM 490 NH2 ARG A 32 -3.021 1.134 16.113 1.00 0.00 N ATOM 0 H ARG A 32 -4.183 3.197 9.234 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.617 3.898 10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.339 2.963 12.157 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.879 3.275 11.380 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.863 0.921 10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.366 0.622 11.333 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.995 1.416 12.634 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.374 -0.220 12.539 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.329 1.330 13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.665 0.361 14.445 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.424 0.432 16.194 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.050 1.417 15.982 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.398 1.025 17.055 1.00 0.00 H new ATOM 504 N VAL A 33 -1.860 0.947 8.771 1.00 0.00 N ATOM 505 CA VAL A 33 -1.167 -0.269 8.389 1.00 0.00 C ATOM 506 C VAL A 33 -0.138 0.008 7.296 1.00 0.00 C ATOM 507 O VAL A 33 0.917 -0.618 7.278 1.00 0.00 O ATOM 508 CB VAL A 33 -2.195 -1.296 7.893 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.520 -2.514 7.266 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.035 -1.781 9.069 1.00 0.00 C ATOM 0 H VAL A 33 -2.791 1.034 8.365 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.638 -0.662 9.257 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.812 -0.804 7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.281 -3.217 6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.915 -2.197 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.882 -2.998 8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.765 -2.510 8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.387 -2.245 9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.554 -0.935 9.519 1.00 0.00 H new ATOM 520 N PHE A 34 -0.432 0.941 6.388 1.00 0.00 N ATOM 521 CA PHE A 34 0.481 1.289 5.307 1.00 0.00 C ATOM 522 C PHE A 34 1.291 2.551 5.601 1.00 0.00 C ATOM 523 O PHE A 34 2.245 2.843 4.882 1.00 0.00 O ATOM 524 CB PHE A 34 -0.349 1.432 4.034 1.00 0.00 C ATOM 525 CG PHE A 34 -0.539 0.135 3.277 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.589 -0.717 3.626 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.324 -0.218 2.228 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.803 -1.905 2.914 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.124 -1.418 1.527 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.941 -2.259 1.864 1.00 0.00 C ATOM 0 H PHE A 34 -1.304 1.471 6.384 1.00 0.00 H new ATOM 0 HA PHE A 34 1.224 0.500 5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.327 1.837 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.132 2.157 3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.239 -0.459 4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.142 0.434 1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.631 -2.548 3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.794 -1.692 0.726 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.100 -3.178 1.319 1.00 0.00 H new ATOM 540 N GLU A 35 0.939 3.306 6.643 1.00 0.00 N ATOM 541 CA GLU A 35 1.670 4.509 7.013 1.00 0.00 C ATOM 542 C GLU A 35 3.006 4.152 7.672 1.00 0.00 C ATOM 543 O GLU A 35 3.935 4.954 7.646 1.00 0.00 O ATOM 544 CB GLU A 35 0.793 5.333 7.958 1.00 0.00 C ATOM 545 CG GLU A 35 1.516 6.565 8.490 1.00 0.00 C ATOM 546 CD GLU A 35 0.538 7.512 9.182 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.300 7.321 10.395 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.032 8.427 8.491 1.00 0.00 O ATOM 0 H GLU A 35 0.144 3.099 7.248 1.00 0.00 H new ATOM 0 HA GLU A 35 1.898 5.094 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.111 5.643 7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.478 4.709 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.293 6.261 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.012 7.083 7.670 1.00 0.00 H new ATOM 555 N LYS A 36 3.113 2.958 8.263 1.00 0.00 N ATOM 556 CA LYS A 36 4.321 2.553 8.971 1.00 0.00 C ATOM 557 C LYS A 36 5.506 2.360 8.027 1.00 0.00 C ATOM 558 O LYS A 36 6.659 2.472 8.440 1.00 0.00 O ATOM 559 CB LYS A 36 4.050 1.273 9.757 1.00 0.00 C ATOM 560 CG LYS A 36 3.799 0.064 8.854 1.00 0.00 C ATOM 561 CD LYS A 36 3.475 -1.153 9.723 1.00 0.00 C ATOM 562 CE LYS A 36 3.212 -2.366 8.837 1.00 0.00 C ATOM 563 NZ LYS A 36 2.917 -3.563 9.647 1.00 0.00 N ATOM 0 H LYS A 36 2.373 2.256 8.262 1.00 0.00 H new ATOM 0 HA LYS A 36 4.590 3.355 9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.900 1.065 10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.185 1.425 10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.974 0.269 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.677 -0.136 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.304 -1.359 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.602 -0.947 10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.374 -2.159 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.081 -2.555 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.742 -4.373 9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.727 -3.773 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.073 -3.389 10.230 1.00 0.00 H new ATOM 577 N TYR A 37 5.223 2.069 6.756 1.00 0.00 N ATOM 578 CA TYR A 37 6.257 1.900 5.746 1.00 0.00 C ATOM 579 C TYR A 37 6.856 3.236 5.324 1.00 0.00 C ATOM 580 O TYR A 37 7.953 3.259 4.767 1.00 0.00 O ATOM 581 CB TYR A 37 5.667 1.168 4.543 1.00 0.00 C ATOM 582 CG TYR A 37 5.222 -0.228 4.895 1.00 0.00 C ATOM 583 CD1 TYR A 37 6.131 -1.289 4.799 1.00 0.00 C ATOM 584 CD2 TYR A 37 3.911 -0.463 5.330 1.00 0.00 C ATOM 585 CE1 TYR A 37 5.740 -2.587 5.154 1.00 0.00 C ATOM 586 CE2 TYR A 37 3.504 -1.761 5.661 1.00 0.00 C ATOM 587 CZ TYR A 37 4.422 -2.828 5.589 1.00 0.00 C ATOM 588 OH TYR A 37 4.051 -4.088 5.947 1.00 0.00 O ATOM 0 H TYR A 37 4.274 1.945 6.404 1.00 0.00 H new ATOM 0 HA TYR A 37 7.067 1.309 6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.819 1.732 4.156 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.410 1.122 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.137 -1.106 4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.214 0.358 5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.448 -3.401 5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.486 -1.945 5.972 1.00 0.00 H new ATOM 0 HH TYR A 37 3.082 -4.187 5.838 1.00 0.00 H new ATOM 598 N GLY A 38 6.154 4.342 5.576 1.00 0.00 N ATOM 599 CA GLY A 38 6.698 5.664 5.309 1.00 0.00 C ATOM 600 C GLY A 38 5.631 6.749 5.376 1.00 0.00 C ATOM 601 O GLY A 38 5.508 7.435 6.391 1.00 0.00 O ATOM 0 H GLY A 38 5.211 4.343 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.484 5.884 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.161 5.672 4.322 1.00 0.00 H new ATOM 605 N ARG A 39 4.859 6.906 4.299 1.00 0.00 N ATOM 606 CA ARG A 39 3.826 7.924 4.215 1.00 0.00 C ATOM 607 C ARG A 39 2.797 7.529 3.162 1.00 0.00 C ATOM 608 O ARG A 39 3.041 6.632 2.362 1.00 0.00 O ATOM 609 CB ARG A 39 4.493 9.262 3.870 1.00 0.00 C ATOM 610 CG ARG A 39 5.471 9.095 2.704 1.00 0.00 C ATOM 611 CD ARG A 39 6.009 10.442 2.231 1.00 0.00 C ATOM 612 NE ARG A 39 6.877 11.069 3.234 1.00 0.00 N ATOM 613 CZ ARG A 39 7.994 11.742 2.936 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.405 11.879 1.677 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.715 12.287 3.912 1.00 0.00 N ATOM 0 H ARG A 39 4.937 6.327 3.463 1.00 0.00 H new ATOM 0 HA ARG A 39 3.304 8.021 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.731 9.997 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.022 9.646 4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.300 8.458 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.971 8.591 1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.566 10.305 1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.175 11.107 2.006 1.00 0.00 H new ATOM 0 HE ARG A 39 6.613 10.987 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.865 11.466 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.260 12.396 1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.415 12.191 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.568 12.801 3.690 1.00 0.00 H new ATOM 629 N VAL A 40 1.651 8.213 3.173 1.00 0.00 N ATOM 630 CA VAL A 40 0.553 7.946 2.256 1.00 0.00 C ATOM 631 C VAL A 40 0.008 9.278 1.763 1.00 0.00 C ATOM 632 O VAL A 40 -0.144 10.208 2.552 1.00 0.00 O ATOM 633 CB VAL A 40 -0.531 7.150 2.999 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.731 6.894 2.095 1.00 0.00 C ATOM 635 CG2 VAL A 40 0.011 5.799 3.473 1.00 0.00 C ATOM 0 H VAL A 40 1.462 8.973 3.826 1.00 0.00 H new ATOM 0 HA VAL A 40 0.888 7.360 1.400 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.836 7.747 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.485 6.329 2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.153 7.846 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.414 6.324 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.775 5.255 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.344 5.218 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.851 5.961 4.148 1.00 0.00 H new ATOM 645 N GLY A 41 -0.283 9.373 0.464 1.00 0.00 N ATOM 646 CA GLY A 41 -0.755 10.617 -0.120 1.00 0.00 C ATOM 647 C GLY A 41 -2.241 10.788 0.153 1.00 0.00 C ATOM 648 O GLY A 41 -2.675 11.868 0.543 1.00 0.00 O ATOM 0 H GLY A 41 -0.198 8.601 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.201 11.458 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.572 10.617 -1.194 1.00 0.00 H new ATOM 652 N ASP A 42 -3.003 9.709 -0.047 1.00 0.00 N ATOM 653 CA ASP A 42 -4.426 9.652 0.237 1.00 0.00 C ATOM 654 C ASP A 42 -4.818 8.194 0.446 1.00 0.00 C ATOM 655 O ASP A 42 -4.156 7.287 -0.050 1.00 0.00 O ATOM 656 CB ASP A 42 -5.232 10.200 -0.945 1.00 0.00 C ATOM 657 CG ASP A 42 -5.020 11.694 -1.180 1.00 0.00 C ATOM 658 OD1 ASP A 42 -5.270 12.471 -0.231 1.00 0.00 O ATOM 659 OD2 ASP A 42 -4.609 12.049 -2.308 1.00 0.00 O ATOM 0 H ASP A 42 -2.632 8.835 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.636 10.250 1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.956 9.655 -1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.292 10.013 -0.771 1.00 0.00 H new ATOM 664 N VAL A 43 -5.902 7.977 1.186 1.00 0.00 N ATOM 665 CA VAL A 43 -6.483 6.665 1.423 1.00 0.00 C ATOM 666 C VAL A 43 -7.990 6.847 1.335 1.00 0.00 C ATOM 667 O VAL A 43 -8.593 7.569 2.126 1.00 0.00 O ATOM 668 CB VAL A 43 -6.008 6.089 2.764 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.918 7.158 3.850 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.920 4.963 3.244 1.00 0.00 C ATOM 0 H VAL A 43 -6.411 8.730 1.648 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.163 5.932 0.683 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.009 5.691 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.578 6.704 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.212 7.929 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.900 7.605 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.554 4.579 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.933 5.345 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.926 4.160 2.507 1.00 0.00 H new ATOM 680 N TYR A 44 -8.596 6.177 0.356 1.00 0.00 N ATOM 681 CA TYR A 44 -9.961 6.463 -0.028 1.00 0.00 C ATOM 682 C TYR A 44 -10.683 5.210 -0.521 1.00 0.00 C ATOM 683 O TYR A 44 -10.053 4.199 -0.835 1.00 0.00 O ATOM 684 CB TYR A 44 -9.832 7.525 -1.123 1.00 0.00 C ATOM 685 CG TYR A 44 -11.082 7.866 -1.893 1.00 0.00 C ATOM 686 CD1 TYR A 44 -12.184 8.442 -1.244 1.00 0.00 C ATOM 687 CD2 TYR A 44 -11.116 7.613 -3.268 1.00 0.00 C ATOM 688 CE1 TYR A 44 -13.335 8.757 -1.980 1.00 0.00 C ATOM 689 CE2 TYR A 44 -12.259 7.929 -4.007 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.386 8.471 -3.360 1.00 0.00 C ATOM 691 OH TYR A 44 -14.525 8.716 -4.068 1.00 0.00 O ATOM 0 H TYR A 44 -8.154 5.432 -0.182 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.563 6.814 0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.455 8.440 -0.666 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.077 7.189 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.146 8.642 -0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.260 7.174 -3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.181 9.218 -1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -12.278 7.758 -5.073 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.389 8.463 -5.005 1.00 0.00 H new ATOM 701 N ILE A 45 -12.015 5.279 -0.586 1.00 0.00 N ATOM 702 CA ILE A 45 -12.859 4.140 -0.915 1.00 0.00 C ATOM 703 C ILE A 45 -13.909 4.573 -1.936 1.00 0.00 C ATOM 704 O ILE A 45 -14.981 5.055 -1.566 1.00 0.00 O ATOM 705 CB ILE A 45 -13.489 3.555 0.360 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.342 3.108 1.267 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.409 2.374 0.037 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.739 2.049 2.292 1.00 0.00 C ATOM 0 H ILE A 45 -12.537 6.137 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.260 3.346 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.105 4.308 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.535 2.716 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.947 3.978 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -14.838 1.984 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.210 2.707 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -13.835 1.590 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.871 1.785 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.524 2.443 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.105 1.162 1.775 1.00 0.00 H new ATOM 720 N PRO A 46 -13.602 4.401 -3.228 1.00 0.00 N ATOM 721 CA PRO A 46 -14.517 4.657 -4.322 1.00 0.00 C ATOM 722 C PRO A 46 -15.879 4.015 -4.081 1.00 0.00 C ATOM 723 O PRO A 46 -15.969 2.911 -3.541 1.00 0.00 O ATOM 724 CB PRO A 46 -13.840 4.060 -5.555 1.00 0.00 C ATOM 725 CG PRO A 46 -12.361 4.214 -5.224 1.00 0.00 C ATOM 726 CD PRO A 46 -12.325 3.929 -3.729 1.00 0.00 C ATOM 0 HA PRO A 46 -14.713 5.723 -4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.116 3.016 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.110 4.595 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.745 3.512 -5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.996 5.215 -5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.193 2.865 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.496 4.448 -3.248 1.00 0.00 H new ATOM 734 N ARG A 47 -16.938 4.715 -4.485 1.00 0.00 N ATOM 735 CA ARG A 47 -18.303 4.257 -4.289 1.00 0.00 C ATOM 736 C ARG A 47 -19.231 4.958 -5.266 1.00 0.00 C ATOM 737 O ARG A 47 -18.896 6.011 -5.805 1.00 0.00 O ATOM 738 CB ARG A 47 -18.721 4.576 -2.846 1.00 0.00 C ATOM 739 CG ARG A 47 -18.834 6.088 -2.636 1.00 0.00 C ATOM 740 CD ARG A 47 -18.994 6.419 -1.154 1.00 0.00 C ATOM 741 NE ARG A 47 -19.426 7.811 -0.964 1.00 0.00 N ATOM 742 CZ ARG A 47 -18.674 8.891 -1.198 1.00 0.00 C ATOM 743 NH1 ARG A 47 -17.409 8.783 -1.607 1.00 0.00 N ATOM 744 NH2 ARG A 47 -19.188 10.104 -1.023 1.00 0.00 N ATOM 0 H ARG A 47 -16.868 5.616 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.364 3.183 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.677 4.101 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.991 4.161 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.946 6.582 -3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.687 6.474 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.723 5.745 -0.705 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.048 6.255 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.376 7.965 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.995 7.861 -1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.855 9.622 -1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.153 10.209 -0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.617 10.930 -1.201 1.00 0.00 H new ATOM 758 N ASP A 48 -20.407 4.377 -5.498 1.00 0.00 N ATOM 759 CA ASP A 48 -21.427 5.032 -6.296 1.00 0.00 C ATOM 760 C ASP A 48 -21.916 6.248 -5.519 1.00 0.00 C ATOM 761 O ASP A 48 -22.394 6.128 -4.393 1.00 0.00 O ATOM 762 CB ASP A 48 -22.551 4.055 -6.608 1.00 0.00 C ATOM 763 CG ASP A 48 -22.065 2.850 -7.415 1.00 0.00 C ATOM 764 OD1 ASP A 48 -21.265 2.064 -6.862 1.00 0.00 O ATOM 765 OD2 ASP A 48 -22.491 2.721 -8.585 1.00 0.00 O ATOM 0 H ASP A 48 -20.671 3.458 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.027 5.363 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.998 3.709 -5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -23.334 4.571 -7.165 1.00 0.00 H new ATOM 770 N ARG A 49 -21.789 7.424 -6.136 1.00 0.00 N ATOM 771 CA ARG A 49 -21.986 8.723 -5.505 1.00 0.00 C ATOM 772 C ARG A 49 -23.433 9.024 -5.096 1.00 0.00 C ATOM 773 O ARG A 49 -23.775 10.182 -4.864 1.00 0.00 O ATOM 774 CB ARG A 49 -21.375 9.778 -6.431 1.00 0.00 C ATOM 775 CG ARG A 49 -22.139 9.971 -7.740 1.00 0.00 C ATOM 776 CD ARG A 49 -21.286 10.827 -8.671 1.00 0.00 C ATOM 777 NE ARG A 49 -21.178 12.210 -8.191 1.00 0.00 N ATOM 778 CZ ARG A 49 -22.096 13.156 -8.398 1.00 0.00 C ATOM 779 NH1 ARG A 49 -23.208 12.896 -9.083 1.00 0.00 N ATOM 780 NH2 ARG A 49 -21.904 14.381 -7.916 1.00 0.00 N ATOM 0 H ARG A 49 -21.538 7.497 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 49 -21.475 8.730 -4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -21.333 10.730 -5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.348 9.495 -6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.353 9.006 -8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -23.098 10.454 -7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -20.290 10.392 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.721 10.822 -9.670 1.00 0.00 H new ATOM 0 HE ARG A 49 -20.344 12.465 -7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -23.369 11.962 -9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -23.899 13.631 -9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -21.057 14.595 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -22.604 15.106 -8.073 1.00 0.00 H new ATOM 794 N TYR A 50 -24.276 7.993 -5.011 1.00 0.00 N ATOM 795 CA TYR A 50 -25.690 8.112 -4.654 1.00 0.00 C ATOM 796 C TYR A 50 -26.225 6.853 -3.956 1.00 0.00 C ATOM 797 O TYR A 50 -27.375 6.857 -3.513 1.00 0.00 O ATOM 798 CB TYR A 50 -26.486 8.380 -5.934 1.00 0.00 C ATOM 799 CG TYR A 50 -26.004 7.482 -7.044 1.00 0.00 C ATOM 800 CD1 TYR A 50 -24.921 7.894 -7.827 1.00 0.00 C ATOM 801 CD2 TYR A 50 -26.604 6.237 -7.256 1.00 0.00 C ATOM 802 CE1 TYR A 50 -24.383 7.036 -8.788 1.00 0.00 C ATOM 803 CE2 TYR A 50 -26.075 5.370 -8.219 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.968 5.771 -8.999 1.00 0.00 C ATOM 805 OH TYR A 50 -24.468 4.934 -9.952 1.00 0.00 O ATOM 0 H TYR A 50 -23.988 7.032 -5.192 1.00 0.00 H new ATOM 0 HA TYR A 50 -25.801 8.933 -3.946 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -27.547 8.210 -5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -26.376 9.424 -6.227 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -24.500 8.879 -7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -27.470 5.946 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -23.523 7.340 -9.367 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -26.513 4.394 -8.366 1.00 0.00 H new ATOM 0 HH TYR A 50 -23.876 4.276 -9.531 1.00 0.00 H new ATOM 815 N THR A 51 -25.427 5.783 -3.843 1.00 0.00 N ATOM 816 CA THR A 51 -25.792 4.622 -3.031 1.00 0.00 C ATOM 817 C THR A 51 -24.765 4.405 -1.925 1.00 0.00 C ATOM 818 O THR A 51 -25.048 3.735 -0.932 1.00 0.00 O ATOM 819 CB THR A 51 -25.911 3.346 -3.864 1.00 0.00 C ATOM 820 OG1 THR A 51 -24.646 2.967 -4.323 1.00 0.00 O ATOM 821 CG2 THR A 51 -26.819 3.535 -5.072 1.00 0.00 C ATOM 0 H THR A 51 -24.522 5.701 -4.307 1.00 0.00 H new ATOM 0 HA THR A 51 -26.769 4.834 -2.598 1.00 0.00 H new ATOM 0 HB THR A 51 -26.342 2.579 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.723 2.148 -4.855 1.00 0.00 H new ATOM 0 HG21 THR A 51 -26.874 2.603 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 51 -27.817 3.816 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 51 -26.416 4.321 -5.710 1.00 0.00 H new ATOM 828 N LYS A 52 -23.575 4.987 -2.115 1.00 0.00 N ATOM 829 CA LYS A 52 -22.478 5.028 -1.158 1.00 0.00 C ATOM 830 C LYS A 52 -22.118 3.661 -0.574 1.00 0.00 C ATOM 831 O LYS A 52 -21.567 3.588 0.523 1.00 0.00 O ATOM 832 CB LYS A 52 -22.795 6.052 -0.059 1.00 0.00 C ATOM 833 CG LYS A 52 -23.259 7.393 -0.637 1.00 0.00 C ATOM 834 CD LYS A 52 -24.774 7.592 -0.521 1.00 0.00 C ATOM 835 CE LYS A 52 -25.252 7.626 0.935 1.00 0.00 C ATOM 836 NZ LYS A 52 -24.679 8.772 1.666 1.00 0.00 N ATOM 0 H LYS A 52 -23.346 5.465 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.586 5.342 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.570 5.652 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -21.909 6.210 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -22.749 8.204 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.968 7.453 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -25.054 8.523 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -25.284 6.786 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -26.340 7.684 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -24.971 6.698 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -25.149 8.865 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -23.661 8.618 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -24.823 9.642 1.115 1.00 0.00 H new ATOM 850 N GLU A 53 -22.421 2.576 -1.288 1.00 0.00 N ATOM 851 CA GLU A 53 -22.059 1.229 -0.882 1.00 0.00 C ATOM 852 C GLU A 53 -20.552 1.016 -1.045 1.00 0.00 C ATOM 853 O GLU A 53 -19.788 1.970 -1.187 1.00 0.00 O ATOM 854 CB GLU A 53 -22.888 0.217 -1.691 1.00 0.00 C ATOM 855 CG GLU A 53 -22.734 0.411 -3.200 1.00 0.00 C ATOM 856 CD GLU A 53 -23.519 -0.649 -3.970 1.00 0.00 C ATOM 857 OE1 GLU A 53 -23.024 -1.795 -4.048 1.00 0.00 O ATOM 858 OE2 GLU A 53 -24.613 -0.302 -4.473 1.00 0.00 O ATOM 0 H GLU A 53 -22.929 2.614 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.286 1.078 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.582 -0.795 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.939 0.314 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.085 1.404 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.680 0.357 -3.472 1.00 0.00 H new ATOM 865 N SER A 54 -20.124 -0.244 -1.026 1.00 0.00 N ATOM 866 CA SER A 54 -18.714 -0.614 -1.076 1.00 0.00 C ATOM 867 C SER A 54 -18.496 -1.799 -2.016 1.00 0.00 C ATOM 868 O SER A 54 -19.456 -2.430 -2.461 1.00 0.00 O ATOM 869 CB SER A 54 -18.237 -0.944 0.338 1.00 0.00 C ATOM 870 OG SER A 54 -16.854 -1.230 0.333 1.00 0.00 O ATOM 0 H SER A 54 -20.754 -1.045 -0.975 1.00 0.00 H new ATOM 0 HA SER A 54 -18.134 0.222 -1.466 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.440 -0.104 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.791 -1.799 0.726 1.00 0.00 H new ATOM 0 HG SER A 54 -16.560 -1.438 1.244 1.00 0.00 H new ATOM 876 N ARG A 55 -17.225 -2.101 -2.315 1.00 0.00 N ATOM 877 CA ARG A 55 -16.851 -3.100 -3.310 1.00 0.00 C ATOM 878 C ARG A 55 -15.684 -3.974 -2.848 1.00 0.00 C ATOM 879 O ARG A 55 -15.173 -4.768 -3.637 1.00 0.00 O ATOM 880 CB ARG A 55 -16.549 -2.396 -4.638 1.00 0.00 C ATOM 881 CG ARG A 55 -17.813 -1.700 -5.150 1.00 0.00 C ATOM 882 CD ARG A 55 -17.570 -1.039 -6.501 1.00 0.00 C ATOM 883 NE ARG A 55 -18.802 -0.411 -6.991 1.00 0.00 N ATOM 884 CZ ARG A 55 -19.749 -1.049 -7.686 1.00 0.00 C ATOM 885 NH1 ARG A 55 -19.606 -2.331 -8.016 1.00 0.00 N ATOM 886 NH2 ARG A 55 -20.846 -0.398 -8.052 1.00 0.00 N ATOM 0 H ARG A 55 -16.426 -1.652 -1.867 1.00 0.00 H new ATOM 0 HA ARG A 55 -17.689 -3.782 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.750 -1.667 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.197 -3.120 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -18.621 -2.426 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -18.136 -0.950 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.783 -0.290 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.222 -1.781 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.945 0.578 -6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.766 -2.838 -7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -20.337 -2.806 -8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -20.963 0.584 -7.803 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -21.572 -0.880 -8.582 1.00 0.00 H new ATOM 900 N GLY A 56 -15.260 -3.846 -1.588 1.00 0.00 N ATOM 901 CA GLY A 56 -14.261 -4.739 -1.019 1.00 0.00 C ATOM 902 C GLY A 56 -12.828 -4.230 -1.172 1.00 0.00 C ATOM 903 O GLY A 56 -11.892 -5.023 -1.097 1.00 0.00 O ATOM 0 H GLY A 56 -15.597 -3.129 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.475 -4.883 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.344 -5.715 -1.497 1.00 0.00 H new ATOM 907 N PHE A 57 -12.633 -2.928 -1.386 1.00 0.00 N ATOM 908 CA PHE A 57 -11.296 -2.372 -1.520 1.00 0.00 C ATOM 909 C PHE A 57 -11.265 -0.911 -1.086 1.00 0.00 C ATOM 910 O PHE A 57 -12.305 -0.271 -0.945 1.00 0.00 O ATOM 911 CB PHE A 57 -10.820 -2.533 -2.965 1.00 0.00 C ATOM 912 CG PHE A 57 -11.576 -1.742 -4.013 1.00 0.00 C ATOM 913 CD1 PHE A 57 -12.698 -2.292 -4.651 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.133 -0.456 -4.366 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.344 -1.580 -5.672 1.00 0.00 C ATOM 916 CE2 PHE A 57 -11.789 0.261 -5.379 1.00 0.00 C ATOM 917 CZ PHE A 57 -12.888 -0.305 -6.034 1.00 0.00 C ATOM 0 H PHE A 57 -13.385 -2.244 -1.469 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.617 -2.916 -0.864 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.769 -2.247 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.875 -3.589 -3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.064 -3.264 -4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.287 -0.019 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.193 -2.014 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.446 1.248 -5.652 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.386 0.242 -6.821 1.00 0.00 H new ATOM 927 N ALA A 58 -10.048 -0.401 -0.882 1.00 0.00 N ATOM 928 CA ALA A 58 -9.790 0.977 -0.508 1.00 0.00 C ATOM 929 C ALA A 58 -8.552 1.428 -1.271 1.00 0.00 C ATOM 930 O ALA A 58 -7.430 1.100 -0.888 1.00 0.00 O ATOM 931 CB ALA A 58 -9.591 1.097 1.009 1.00 0.00 C ATOM 0 H ALA A 58 -9.198 -0.956 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.637 1.614 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.399 2.138 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.490 0.755 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.743 0.484 1.314 1.00 0.00 H new ATOM 937 N PHE A 59 -8.767 2.175 -2.357 1.00 0.00 N ATOM 938 CA PHE A 59 -7.701 2.618 -3.236 1.00 0.00 C ATOM 939 C PHE A 59 -6.841 3.619 -2.471 1.00 0.00 C ATOM 940 O PHE A 59 -7.198 4.790 -2.344 1.00 0.00 O ATOM 941 CB PHE A 59 -8.310 3.198 -4.522 1.00 0.00 C ATOM 942 CG PHE A 59 -7.337 3.910 -5.441 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.134 5.288 -5.267 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.651 3.233 -6.465 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.216 5.973 -6.069 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.700 3.914 -7.233 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.464 5.277 -7.027 1.00 0.00 C ATOM 0 H PHE A 59 -9.694 2.487 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.058 1.793 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.781 2.387 -5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.100 3.897 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.690 5.822 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.858 2.191 -6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.086 7.039 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.144 3.383 -7.991 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.708 5.790 -7.602 1.00 0.00 H new ATOM 957 N VAL A 60 -5.697 3.153 -1.961 1.00 0.00 N ATOM 958 CA VAL A 60 -4.733 4.038 -1.326 1.00 0.00 C ATOM 959 C VAL A 60 -3.744 4.481 -2.386 1.00 0.00 C ATOM 960 O VAL A 60 -3.549 3.760 -3.363 1.00 0.00 O ATOM 961 CB VAL A 60 -4.011 3.311 -0.185 1.00 0.00 C ATOM 962 CG1 VAL A 60 -2.945 4.184 0.473 1.00 0.00 C ATOM 963 CG2 VAL A 60 -5.027 2.922 0.886 1.00 0.00 C ATOM 0 H VAL A 60 -5.422 2.171 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.237 4.904 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.526 2.435 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.462 3.626 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.200 4.471 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.411 5.079 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.518 2.405 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.510 3.820 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.779 2.264 0.452 1.00 0.00 H new ATOM 973 N ARG A 61 -3.122 5.649 -2.197 1.00 0.00 N ATOM 974 CA ARG A 61 -2.120 6.167 -3.121 1.00 0.00 C ATOM 975 C ARG A 61 -0.894 6.633 -2.327 1.00 0.00 C ATOM 976 O ARG A 61 -1.048 7.224 -1.258 1.00 0.00 O ATOM 977 CB ARG A 61 -2.756 7.263 -4.000 1.00 0.00 C ATOM 978 CG ARG A 61 -2.573 8.669 -3.421 1.00 0.00 C ATOM 979 CD ARG A 61 -3.202 9.701 -4.358 1.00 0.00 C ATOM 980 NE ARG A 61 -2.636 9.588 -5.711 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.369 9.511 -6.823 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.694 9.605 -6.770 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.781 9.348 -8.002 1.00 0.00 N ATOM 0 H ARG A 61 -3.302 6.258 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.768 5.393 -3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.315 7.225 -4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.820 7.058 -4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.035 8.729 -2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.512 8.883 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.281 9.554 -4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.030 10.705 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.621 9.567 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.160 9.737 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.244 9.545 -7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.765 9.281 -8.060 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.345 9.290 -8.850 1.00 0.00 H new ATOM 997 N PHE A 62 0.320 6.381 -2.831 1.00 0.00 N ATOM 998 CA PHE A 62 1.561 6.760 -2.157 1.00 0.00 C ATOM 999 C PHE A 62 2.369 7.705 -3.030 1.00 0.00 C ATOM 1000 O PHE A 62 2.384 7.554 -4.253 1.00 0.00 O ATOM 1001 CB PHE A 62 2.430 5.526 -1.933 1.00 0.00 C ATOM 1002 CG PHE A 62 2.158 4.680 -0.713 1.00 0.00 C ATOM 1003 CD1 PHE A 62 0.914 4.065 -0.518 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.186 4.495 0.219 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.706 3.257 0.614 1.00 0.00 C ATOM 1006 CE2 PHE A 62 2.990 3.667 1.328 1.00 0.00 C ATOM 1007 CZ PHE A 62 1.759 3.037 1.518 1.00 0.00 C ATOM 0 H PHE A 62 0.466 5.906 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 62 1.293 7.234 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.335 4.887 -2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.469 5.853 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.119 4.211 -1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.134 4.994 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.260 2.807 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.790 3.515 2.037 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.615 2.379 2.362 1.00 0.00 H new ATOM 1017 N HIS A 63 3.036 8.672 -2.386 1.00 0.00 N ATOM 1018 CA HIS A 63 3.810 9.695 -3.077 1.00 0.00 C ATOM 1019 C HIS A 63 5.235 9.275 -3.404 1.00 0.00 C ATOM 1020 O HIS A 63 5.776 9.704 -4.419 1.00 0.00 O ATOM 1021 CB HIS A 63 3.903 10.977 -2.240 1.00 0.00 C ATOM 1022 CG HIS A 63 3.293 10.981 -0.860 1.00 0.00 C ATOM 1023 ND1 HIS A 63 3.473 10.059 0.137 1.00 0.00 N flip ATOM 1024 CD2 HIS A 63 2.456 12.001 -0.400 1.00 0.00 C flip ATOM 1025 CE1 HIS A 63 2.745 10.517 1.209 1.00 0.00 C flip ATOM 1026 NE2 HIS A 63 2.158 11.675 0.865 1.00 0.00 N flip ATOM 0 H HIS A 63 3.050 8.761 -1.370 1.00 0.00 H new ATOM 0 HA HIS A 63 3.270 9.860 -4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.958 11.230 -2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.437 11.780 -2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.120 12.869 -0.948 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.659 10.027 2.168 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.566 12.231 1.483 1.00 0.00 H new ATOM 1034 N ASP A 64 5.846 8.451 -2.556 1.00 0.00 N ATOM 1035 CA ASP A 64 7.263 8.152 -2.662 1.00 0.00 C ATOM 1036 C ASP A 64 7.492 6.715 -3.093 1.00 0.00 C ATOM 1037 O ASP A 64 6.913 5.781 -2.541 1.00 0.00 O ATOM 1038 CB ASP A 64 7.924 8.423 -1.313 1.00 0.00 C ATOM 1039 CG ASP A 64 8.363 9.877 -1.185 1.00 0.00 C ATOM 1040 OD1 ASP A 64 7.526 10.712 -0.775 1.00 0.00 O ATOM 1041 OD2 ASP A 64 9.544 10.140 -1.506 1.00 0.00 O ATOM 0 H ASP A 64 5.374 7.978 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 64 7.708 8.791 -3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.227 8.181 -0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.788 7.770 -1.193 1.00 0.00 H new ATOM 1046 N LYS A 65 8.353 6.550 -4.101 1.00 0.00 N ATOM 1047 CA LYS A 65 8.660 5.254 -4.673 1.00 0.00 C ATOM 1048 C LYS A 65 9.296 4.326 -3.645 1.00 0.00 C ATOM 1049 O LYS A 65 8.887 3.174 -3.550 1.00 0.00 O ATOM 1050 CB LYS A 65 9.569 5.468 -5.883 1.00 0.00 C ATOM 1051 CG LYS A 65 10.155 4.171 -6.446 1.00 0.00 C ATOM 1052 CD LYS A 65 9.078 3.167 -6.877 1.00 0.00 C ATOM 1053 CE LYS A 65 8.153 3.753 -7.947 1.00 0.00 C ATOM 1054 NZ LYS A 65 8.884 4.079 -9.189 1.00 0.00 N ATOM 0 H LYS A 65 8.855 7.322 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 65 7.740 4.765 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.004 5.972 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.385 6.133 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.789 4.406 -7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.794 3.710 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.554 2.265 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.489 2.871 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.359 3.041 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.675 4.653 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.207 4.361 -9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.544 4.862 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.416 3.244 -9.508 1.00 0.00 H new ATOM 1068 N ARG A 66 10.283 4.807 -2.879 1.00 0.00 N ATOM 1069 CA ARG A 66 11.029 3.943 -1.970 1.00 0.00 C ATOM 1070 C ARG A 66 10.145 3.265 -0.924 1.00 0.00 C ATOM 1071 O ARG A 66 10.412 2.125 -0.546 1.00 0.00 O ATOM 1072 CB ARG A 66 12.187 4.707 -1.319 1.00 0.00 C ATOM 1073 CG ARG A 66 11.778 5.924 -0.474 1.00 0.00 C ATOM 1074 CD ARG A 66 11.551 7.192 -1.300 1.00 0.00 C ATOM 1075 NE ARG A 66 12.753 7.544 -2.069 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.945 8.713 -2.688 1.00 0.00 C ATOM 1077 NH1 ARG A 66 12.025 9.669 -2.648 1.00 0.00 N ATOM 1078 NH2 ARG A 66 14.075 8.927 -3.357 1.00 0.00 N ATOM 0 H ARG A 66 10.578 5.783 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 66 11.445 3.138 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.746 4.017 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.866 5.041 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.865 5.687 0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.552 6.117 0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.712 7.042 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.283 8.017 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 66 13.494 6.846 -2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.154 9.518 -2.139 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.189 10.555 -3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.790 8.201 -3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.226 9.817 -3.831 1.00 0.00 H new ATOM 1092 N ASP A 67 9.092 3.939 -0.449 1.00 0.00 N ATOM 1093 CA ASP A 67 8.230 3.354 0.576 1.00 0.00 C ATOM 1094 C ASP A 67 6.984 2.744 -0.053 1.00 0.00 C ATOM 1095 O ASP A 67 6.231 2.039 0.619 1.00 0.00 O ATOM 1096 CB ASP A 67 7.898 4.384 1.656 1.00 0.00 C ATOM 1097 CG ASP A 67 7.503 5.743 1.097 1.00 0.00 C ATOM 1098 OD1 ASP A 67 6.332 5.886 0.687 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.388 6.628 1.089 1.00 0.00 O ATOM 0 H ASP A 67 8.821 4.874 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 67 8.767 2.542 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.084 4.003 2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.762 4.506 2.309 1.00 0.00 H new ATOM 1104 N ALA A 68 6.773 3.007 -1.344 1.00 0.00 N ATOM 1105 CA ALA A 68 5.723 2.378 -2.114 1.00 0.00 C ATOM 1106 C ALA A 68 6.156 0.967 -2.492 1.00 0.00 C ATOM 1107 O ALA A 68 5.378 0.018 -2.378 1.00 0.00 O ATOM 1108 CB ALA A 68 5.523 3.213 -3.374 1.00 0.00 C ATOM 0 H ALA A 68 7.335 3.669 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 68 4.797 2.318 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.736 2.769 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.238 4.228 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.452 3.240 -3.944 1.00 0.00 H new ATOM 1114 N GLU A 69 7.405 0.816 -2.951 1.00 0.00 N ATOM 1115 CA GLU A 69 7.897 -0.493 -3.336 1.00 0.00 C ATOM 1116 C GLU A 69 8.221 -1.344 -2.114 1.00 0.00 C ATOM 1117 O GLU A 69 8.128 -2.566 -2.185 1.00 0.00 O ATOM 1118 CB GLU A 69 9.107 -0.377 -4.269 1.00 0.00 C ATOM 1119 CG GLU A 69 10.315 0.266 -3.584 1.00 0.00 C ATOM 1120 CD GLU A 69 11.582 0.086 -4.417 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.765 0.875 -5.372 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.363 -0.839 -4.095 1.00 0.00 O ATOM 0 H GLU A 69 8.076 1.576 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 69 7.102 -0.996 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.382 -1.369 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.832 0.213 -5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.126 1.328 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.458 -0.179 -2.599 1.00 0.00 H new ATOM 1129 N ASP A 70 8.604 -0.731 -0.986 1.00 0.00 N ATOM 1130 CA ASP A 70 8.842 -1.513 0.212 1.00 0.00 C ATOM 1131 C ASP A 70 7.532 -2.092 0.745 1.00 0.00 C ATOM 1132 O ASP A 70 7.495 -3.250 1.159 1.00 0.00 O ATOM 1133 CB ASP A 70 9.523 -0.629 1.261 1.00 0.00 C ATOM 1134 CG ASP A 70 9.938 -1.441 2.486 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.744 -2.383 2.311 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.448 -1.114 3.588 1.00 0.00 O ATOM 0 H ASP A 70 8.749 0.274 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 70 9.497 -2.351 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.400 -0.152 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.844 0.169 1.564 1.00 0.00 H new ATOM 1141 N ALA A 71 6.453 -1.301 0.739 1.00 0.00 N ATOM 1142 CA ALA A 71 5.179 -1.762 1.253 1.00 0.00 C ATOM 1143 C ALA A 71 4.632 -2.927 0.432 1.00 0.00 C ATOM 1144 O ALA A 71 3.984 -3.813 0.989 1.00 0.00 O ATOM 1145 CB ALA A 71 4.187 -0.600 1.262 1.00 0.00 C ATOM 0 H ALA A 71 6.446 -0.345 0.384 1.00 0.00 H new ATOM 0 HA ALA A 71 5.326 -2.124 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.227 -0.944 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.569 0.199 1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.056 -0.225 0.247 1.00 0.00 H new ATOM 1151 N MET A 72 4.882 -2.949 -0.884 1.00 0.00 N ATOM 1152 CA MET A 72 4.383 -4.054 -1.692 1.00 0.00 C ATOM 1153 C MET A 72 5.265 -5.278 -1.483 1.00 0.00 C ATOM 1154 O MET A 72 4.772 -6.399 -1.396 1.00 0.00 O ATOM 1155 CB MET A 72 4.296 -3.655 -3.169 1.00 0.00 C ATOM 1156 CG MET A 72 5.552 -3.974 -3.984 1.00 0.00 C ATOM 1157 SD MET A 72 5.353 -3.634 -5.749 1.00 0.00 S ATOM 1158 CE MET A 72 5.444 -1.831 -5.709 1.00 0.00 C ATOM 0 H MET A 72 5.408 -2.238 -1.392 1.00 0.00 H new ATOM 0 HA MET A 72 3.371 -4.306 -1.374 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.445 -4.164 -3.621 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.098 -2.585 -3.233 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.387 -3.389 -3.599 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.809 -5.024 -3.849 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.689 -1.414 -6.376 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.265 -1.480 -4.693 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.433 -1.509 -6.035 1.00 0.00 H new ATOM 1168 N ASP A 73 6.578 -5.050 -1.401 1.00 0.00 N ATOM 1169 CA ASP A 73 7.558 -6.100 -1.212 1.00 0.00 C ATOM 1170 C ASP A 73 7.596 -6.585 0.240 1.00 0.00 C ATOM 1171 O ASP A 73 8.403 -7.457 0.567 1.00 0.00 O ATOM 1172 CB ASP A 73 8.932 -5.577 -1.650 1.00 0.00 C ATOM 1173 CG ASP A 73 9.977 -6.687 -1.687 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.738 -7.687 -2.403 1.00 0.00 O ATOM 1175 OD2 ASP A 73 11.012 -6.530 -1.001 1.00 0.00 O ATOM 0 H ASP A 73 6.986 -4.117 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 73 7.278 -6.959 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.850 -5.123 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.258 -4.794 -0.965 1.00 0.00 H new ATOM 1180 N ALA A 74 6.746 -6.040 1.118 1.00 0.00 N ATOM 1181 CA ALA A 74 6.762 -6.412 2.521 1.00 0.00 C ATOM 1182 C ALA A 74 5.388 -6.790 3.069 1.00 0.00 C ATOM 1183 O ALA A 74 5.306 -7.273 4.194 1.00 0.00 O ATOM 1184 CB ALA A 74 7.314 -5.245 3.328 1.00 0.00 C ATOM 0 H ALA A 74 6.043 -5.342 0.874 1.00 0.00 H new ATOM 0 HA ALA A 74 7.389 -7.299 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.332 -5.510 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.326 -5.018 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.679 -4.371 3.184 1.00 0.00 H new ATOM 1190 N MET A 75 4.307 -6.582 2.305 1.00 0.00 N ATOM 1191 CA MET A 75 2.988 -6.901 2.831 1.00 0.00 C ATOM 1192 C MET A 75 1.993 -7.484 1.834 1.00 0.00 C ATOM 1193 O MET A 75 1.025 -8.107 2.266 1.00 0.00 O ATOM 1194 CB MET A 75 2.402 -5.629 3.430 1.00 0.00 C ATOM 1195 CG MET A 75 1.532 -5.989 4.629 1.00 0.00 C ATOM 1196 SD MET A 75 1.013 -4.582 5.647 1.00 0.00 S ATOM 1197 CE MET A 75 0.595 -3.401 4.342 1.00 0.00 C ATOM 0 H MET A 75 4.322 -6.208 1.356 1.00 0.00 H new ATOM 0 HA MET A 75 3.143 -7.693 3.564 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.203 -4.956 3.737 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.810 -5.101 2.682 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.642 -6.507 4.271 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.079 -6.692 5.258 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.219 -2.481 4.790 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.485 -3.180 3.752 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.171 -3.829 3.696 1.00 0.00 H new ATOM 1207 N ASP A 76 2.175 -7.318 0.524 1.00 0.00 N ATOM 1208 CA ASP A 76 1.235 -7.930 -0.401 1.00 0.00 C ATOM 1209 C ASP A 76 1.263 -9.450 -0.250 1.00 0.00 C ATOM 1210 O ASP A 76 2.327 -10.063 -0.164 1.00 0.00 O ATOM 1211 CB ASP A 76 1.541 -7.511 -1.842 1.00 0.00 C ATOM 1212 CG ASP A 76 1.215 -8.610 -2.855 1.00 0.00 C ATOM 1213 OD1 ASP A 76 0.009 -8.824 -3.104 1.00 0.00 O ATOM 1214 OD2 ASP A 76 2.173 -9.228 -3.368 1.00 0.00 O ATOM 0 H ASP A 76 2.934 -6.787 0.097 1.00 0.00 H new ATOM 0 HA ASP A 76 0.230 -7.581 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.969 -6.616 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.595 -7.247 -1.924 1.00 0.00 H new ATOM 1219 N GLY A 77 0.069 -10.042 -0.219 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.093 -11.484 -0.142 1.00 0.00 C ATOM 1221 C GLY A 77 0.234 -12.050 1.240 1.00 0.00 C ATOM 1222 O GLY A 77 0.299 -13.268 1.399 1.00 0.00 O ATOM 0 H GLY A 77 -0.812 -9.529 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.120 -11.743 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.551 -11.956 -0.884 1.00 0.00 H new ATOM 1226 N ALA A 78 0.437 -11.188 2.241 1.00 0.00 N ATOM 1227 CA ALA A 78 0.788 -11.620 3.592 1.00 0.00 C ATOM 1228 C ALA A 78 -0.461 -12.005 4.385 1.00 0.00 C ATOM 1229 O ALA A 78 -0.510 -11.877 5.607 1.00 0.00 O ATOM 1230 CB ALA A 78 1.578 -10.515 4.293 1.00 0.00 C ATOM 0 H ALA A 78 0.362 -10.176 2.136 1.00 0.00 H new ATOM 0 HA ALA A 78 1.415 -12.510 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.839 -10.838 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.488 -10.306 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.970 -9.612 4.348 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.476 -12.473 3.661 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.797 -12.781 4.147 1.00 0.00 C ATOM 1238 C VAL A 79 -2.830 -13.977 5.091 1.00 0.00 C ATOM 1239 O VAL A 79 -1.818 -14.647 5.306 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.652 -13.035 2.908 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -3.475 -11.907 1.887 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.364 -14.377 2.250 1.00 0.00 C ATOM 0 H VAL A 79 -1.381 -12.654 2.662 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.174 -11.950 4.743 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.686 -13.060 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.093 -12.108 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.777 -10.960 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.429 -11.849 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.003 -14.498 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.319 -14.415 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.564 -15.180 2.959 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.011 -14.244 5.658 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.192 -15.382 6.560 1.00 0.00 C ATOM 1254 C LEU A 80 -5.602 -15.966 6.462 1.00 0.00 C ATOM 1255 O LEU A 80 -5.983 -16.805 7.276 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.839 -14.981 8.002 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.956 -14.259 8.768 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.432 -13.876 10.148 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.417 -12.994 8.054 1.00 0.00 C ATOM 0 H LEU A 80 -4.853 -13.688 5.508 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.508 -16.172 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.562 -15.879 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.960 -14.337 7.979 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.808 -14.936 8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.215 -13.362 10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.135 -14.776 10.687 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.571 -13.217 10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.208 -12.517 8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.577 -12.307 7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.796 -13.252 7.065 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.371 -15.521 5.465 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.749 -15.949 5.270 1.00 0.00 C ATOM 1273 C ASP A 81 -8.033 -16.164 3.782 1.00 0.00 C ATOM 1274 O ASP A 81 -9.173 -16.398 3.387 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.674 -14.884 5.856 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.141 -15.296 5.797 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.490 -16.293 6.471 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -10.903 -14.610 5.078 1.00 0.00 O ATOM 0 H ASP A 81 -6.048 -14.849 4.769 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.922 -16.898 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.394 -14.693 6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.539 -13.949 5.312 1.00 0.00 H new ATOM 1283 N GLY A 82 -6.985 -16.083 2.957 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.097 -16.177 1.513 1.00 0.00 C ATOM 1285 C GLY A 82 -6.960 -14.794 0.879 1.00 0.00 C ATOM 1286 O GLY A 82 -6.708 -14.683 -0.319 1.00 0.00 O ATOM 0 H GLY A 82 -6.028 -15.949 3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.325 -16.841 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.058 -16.614 1.244 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.126 -13.739 1.687 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.001 -12.363 1.241 1.00 0.00 C ATOM 1292 C ARG A 83 -6.801 -11.461 2.451 1.00 0.00 C ATOM 1293 O ARG A 83 -7.476 -11.624 3.464 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.256 -11.993 0.434 1.00 0.00 C ATOM 1295 CG ARG A 83 -8.695 -10.528 0.544 1.00 0.00 C ATOM 1296 CD ARG A 83 -9.652 -10.255 1.707 1.00 0.00 C ATOM 1297 NE ARG A 83 -10.837 -11.122 1.659 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.042 -12.176 2.455 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -10.156 -12.528 3.380 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.151 -12.899 2.329 1.00 0.00 N ATOM 0 H ARG A 83 -7.353 -13.828 2.677 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.134 -12.234 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.074 -12.223 -0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.079 -12.628 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.811 -9.901 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.177 -10.232 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.129 -10.408 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.965 -9.211 1.682 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.555 -10.904 0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.297 -11.990 3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.335 -13.336 3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.845 -12.649 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.307 -13.703 2.937 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.872 -10.518 2.322 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.653 -9.432 3.268 1.00 0.00 C ATOM 1316 C GLU A 84 -5.094 -8.205 2.546 1.00 0.00 C ATOM 1317 O GLU A 84 -5.541 -7.093 2.812 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.745 -9.776 4.456 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.354 -10.781 5.436 1.00 0.00 C ATOM 1320 CD GLU A 84 -6.611 -10.234 6.123 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -6.683 -9.002 6.322 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.497 -11.057 6.446 1.00 0.00 O ATOM 0 H GLU A 84 -5.231 -10.489 1.529 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.637 -9.228 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.805 -10.178 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.506 -8.859 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.604 -11.699 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.614 -11.042 6.192 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.122 -8.406 1.640 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.511 -7.323 0.874 1.00 0.00 C ATOM 1331 C LEU A 85 -3.312 -7.697 -0.591 1.00 0.00 C ATOM 1332 O LEU A 85 -3.141 -8.869 -0.926 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.089 -7.003 1.370 1.00 0.00 C ATOM 1334 CG LEU A 85 -1.879 -6.384 2.755 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.818 -5.209 2.993 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.002 -7.437 3.847 1.00 0.00 C ATOM 0 H LEU A 85 -3.742 -9.327 1.423 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.196 -6.484 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.520 -7.932 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.637 -6.329 0.642 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.864 -5.989 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.640 -4.796 3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.636 -4.440 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.851 -5.549 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.849 -6.971 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.995 -7.884 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.250 -8.211 3.693 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.336 -6.664 -1.434 1.00 0.00 N ATOM 1349 CA ARG A 86 -2.908 -6.683 -2.826 1.00 0.00 C ATOM 1350 C ARG A 86 -2.462 -5.263 -3.141 1.00 0.00 C ATOM 1351 O ARG A 86 -3.279 -4.342 -3.163 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.021 -7.110 -3.788 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.284 -8.614 -3.768 1.00 0.00 C ATOM 1354 CD ARG A 86 -2.996 -9.393 -4.054 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.243 -10.833 -4.121 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.295 -11.757 -3.964 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -1.035 -11.404 -3.715 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.598 -13.048 -4.054 1.00 0.00 N ATOM 0 H ARG A 86 -3.673 -5.745 -1.145 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.111 -7.415 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.939 -6.583 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.754 -6.807 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.683 -8.906 -2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.040 -8.866 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.565 -9.053 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.263 -9.185 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.197 -11.149 -4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.787 -10.417 -3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.319 -12.120 -3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.558 -13.334 -4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.870 -13.752 -3.933 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.163 -5.080 -3.382 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.593 -3.761 -3.621 1.00 0.00 C ATOM 1374 C VAL A 87 0.418 -3.809 -4.757 1.00 0.00 C ATOM 1375 O VAL A 87 1.281 -4.683 -4.809 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.004 -3.192 -2.321 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.740 -4.233 -1.495 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.960 -2.040 -2.587 1.00 0.00 C ATOM 0 H VAL A 87 -0.483 -5.840 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.382 -3.080 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.870 -2.841 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.132 -3.768 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.057 -5.038 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.565 -4.640 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.353 -1.668 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.784 -2.391 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.433 -1.237 -3.102 1.00 0.00 H new ATOM 1388 N GLN A 88 0.286 -2.841 -5.670 1.00 0.00 N ATOM 1389 CA GLN A 88 1.140 -2.667 -6.835 1.00 0.00 C ATOM 1390 C GLN A 88 0.854 -1.300 -7.446 1.00 0.00 C ATOM 1391 O GLN A 88 -0.180 -0.688 -7.172 1.00 0.00 O ATOM 1392 CB GLN A 88 0.873 -3.775 -7.859 1.00 0.00 C ATOM 1393 CG GLN A 88 -0.571 -3.751 -8.371 1.00 0.00 C ATOM 1394 CD GLN A 88 -0.778 -4.803 -9.458 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.824 -5.996 -9.174 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -0.907 -4.368 -10.709 1.00 0.00 N ATOM 0 H GLN A 88 -0.447 -2.135 -5.610 1.00 0.00 H new ATOM 0 HA GLN A 88 2.187 -2.727 -6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.557 -3.663 -8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.080 -4.744 -7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.258 -3.935 -7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.805 -2.762 -8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.864 -3.369 -10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.049 -5.034 -11.468 1.00 0.00 H new ATOM 1405 N MET A 89 1.777 -0.826 -8.277 1.00 0.00 N ATOM 1406 CA MET A 89 1.733 0.505 -8.857 1.00 0.00 C ATOM 1407 C MET A 89 0.459 0.713 -9.676 1.00 0.00 C ATOM 1408 O MET A 89 0.023 -0.182 -10.402 1.00 0.00 O ATOM 1409 CB MET A 89 2.984 0.661 -9.717 1.00 0.00 C ATOM 1410 CG MET A 89 4.209 0.543 -8.810 1.00 0.00 C ATOM 1411 SD MET A 89 4.630 2.084 -7.956 1.00 0.00 S ATOM 1412 CE MET A 89 5.830 1.444 -6.766 1.00 0.00 C ATOM 0 H MET A 89 2.590 -1.369 -8.569 1.00 0.00 H new ATOM 0 HA MET A 89 1.714 1.263 -8.074 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.010 -0.105 -10.492 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.978 1.626 -10.224 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.028 -0.236 -8.069 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.063 0.223 -9.407 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.404 2.271 -6.348 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.306 0.924 -5.964 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.505 0.750 -7.267 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.135 1.904 -9.555 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.314 2.267 -10.330 1.00 0.00 C ATOM 1424 C ALA A 90 -0.953 2.328 -11.813 1.00 0.00 C ATOM 1425 O ALA A 90 0.170 2.681 -12.170 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.851 3.616 -9.848 1.00 0.00 C ATOM 0 H ALA A 90 0.188 2.635 -8.921 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.091 1.515 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.733 3.885 -10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.119 3.545 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.084 4.380 -9.977 1.00 0.00 H new ATOM 1432 N ARG A 91 -1.913 1.988 -12.678 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.787 2.096 -14.132 1.00 0.00 C ATOM 1434 C ARG A 91 -3.012 2.834 -14.668 1.00 0.00 C ATOM 1435 O ARG A 91 -3.313 2.798 -15.859 1.00 0.00 O ATOM 1436 CB ARG A 91 -1.667 0.709 -14.764 1.00 0.00 C ATOM 1437 CG ARG A 91 -0.394 -0.057 -14.375 1.00 0.00 C ATOM 1438 CD ARG A 91 0.862 0.475 -15.075 1.00 0.00 C ATOM 1439 NE ARG A 91 1.307 1.755 -14.512 1.00 0.00 N ATOM 1440 CZ ARG A 91 2.180 2.582 -15.093 1.00 0.00 C ATOM 1441 NH1 ARG A 91 2.730 2.286 -16.267 1.00 0.00 N ATOM 1442 NH2 ARG A 91 2.506 3.722 -14.491 1.00 0.00 N ATOM 0 H ARG A 91 -2.817 1.623 -12.380 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.884 2.651 -14.388 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.535 0.116 -14.477 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.697 0.813 -15.849 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.255 0.004 -13.296 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.521 -1.111 -14.621 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.664 -0.258 -14.986 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.659 0.598 -16.139 1.00 0.00 H new ATOM 0 HE ARG A 91 0.921 2.034 -13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.487 1.415 -16.739 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.395 2.930 -16.696 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.090 3.960 -13.591 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.172 4.358 -14.929 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.710 3.501 -13.748 1.00 0.00 N ATOM 1457 CA TYR A 92 -4.921 4.254 -14.000 1.00 0.00 C ATOM 1458 C TYR A 92 -4.928 5.433 -13.032 1.00 0.00 C ATOM 1459 O TYR A 92 -4.507 5.285 -11.884 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.105 3.310 -13.798 1.00 0.00 C ATOM 1461 CG TYR A 92 -7.469 3.967 -13.789 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -7.843 4.887 -14.778 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -8.364 3.628 -12.767 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -9.116 5.477 -14.727 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -9.635 4.208 -12.709 1.00 0.00 C ATOM 1466 CZ TYR A 92 -10.016 5.141 -13.694 1.00 0.00 C ATOM 1467 OH TYR A 92 -11.254 5.716 -13.652 1.00 0.00 O ATOM 0 H TYR A 92 -3.428 3.527 -12.768 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.982 4.648 -15.015 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.088 2.560 -14.588 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.969 2.782 -12.854 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.157 5.140 -15.573 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.069 2.911 -12.015 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.408 6.192 -15.482 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.319 3.943 -11.916 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.748 5.374 -12.878 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.399 6.601 -13.480 1.00 0.00 N ATOM 1478 CA GLY A 93 -5.277 7.837 -12.723 1.00 0.00 C ATOM 1479 C GLY A 93 -6.634 8.416 -12.340 1.00 0.00 C ATOM 1480 O GLY A 93 -7.675 7.815 -12.605 1.00 0.00 O ATOM 0 H GLY A 93 -5.874 6.709 -14.376 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.695 7.652 -11.820 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.725 8.569 -13.313 1.00 0.00 H new ATOM 1484 N ARG A 94 -6.616 9.596 -11.711 1.00 0.00 N ATOM 1485 CA ARG A 94 -7.825 10.275 -11.271 1.00 0.00 C ATOM 1486 C ARG A 94 -8.783 10.420 -12.452 1.00 0.00 C ATOM 1487 O ARG A 94 -8.359 10.844 -13.527 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.437 11.623 -10.656 1.00 0.00 C ATOM 1489 CG ARG A 94 -8.601 12.215 -9.858 1.00 0.00 C ATOM 1490 CD ARG A 94 -8.171 13.499 -9.159 1.00 0.00 C ATOM 1491 NE ARG A 94 -9.230 13.990 -8.268 1.00 0.00 N ATOM 1492 CZ ARG A 94 -10.234 14.785 -8.647 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -10.344 15.214 -9.904 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -11.142 15.150 -7.748 1.00 0.00 N ATOM 0 H ARG A 94 -5.757 10.103 -11.495 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.344 9.698 -10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.572 11.495 -10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.142 12.315 -11.444 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.439 12.420 -10.524 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.949 11.492 -9.121 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.262 13.319 -8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.933 14.260 -9.902 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.196 13.703 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.652 14.936 -10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.120 15.821 -10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.066 14.823 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.915 15.757 -8.021 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.067 10.075 -12.278 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.020 9.983 -13.371 1.00 0.00 C ATOM 1510 C PRO A 95 -11.365 11.352 -13.964 1.00 0.00 C ATOM 1511 O PRO A 95 -11.459 12.335 -13.227 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.243 9.301 -12.760 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.174 9.668 -11.279 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.671 9.710 -11.014 1.00 0.00 C ATOM 0 HA PRO A 95 -10.613 9.421 -14.212 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.167 9.657 -13.216 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.211 8.221 -12.905 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.648 10.629 -11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.675 8.928 -10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.429 10.437 -10.239 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.306 8.743 -10.669 1.00 0.00 H new ATOM 1522 N PRO A 96 -11.553 11.422 -15.291 1.00 0.00 N ATOM 1523 CA PRO A 96 -11.903 12.644 -16.006 1.00 0.00 C ATOM 1524 C PRO A 96 -13.388 12.981 -15.857 1.00 0.00 C ATOM 1525 O PRO A 96 -13.790 14.130 -16.031 1.00 0.00 O ATOM 1526 CB PRO A 96 -11.592 12.332 -17.468 1.00 0.00 C ATOM 1527 CG PRO A 96 -11.873 10.832 -17.567 1.00 0.00 C ATOM 1528 CD PRO A 96 -11.416 10.305 -16.210 1.00 0.00 C ATOM 0 HA PRO A 96 -11.353 13.502 -15.620 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.223 12.906 -18.146 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.558 12.566 -17.719 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.930 10.630 -17.743 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.320 10.371 -18.386 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.026 9.459 -15.892 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.384 9.956 -16.252 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.192 11.968 -15.535 1.00 0.00 N ATOM 1537 CA ASP A 97 -15.624 12.094 -15.304 1.00 0.00 C ATOM 1538 C ASP A 97 -16.023 11.079 -14.236 1.00 0.00 C ATOM 1539 O ASP A 97 -15.271 10.143 -13.971 1.00 0.00 O ATOM 1540 CB ASP A 97 -16.382 11.835 -16.607 1.00 0.00 C ATOM 1541 CG ASP A 97 -17.879 12.103 -16.464 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -18.230 13.044 -15.715 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -18.665 11.366 -17.100 1.00 0.00 O ATOM 0 H ASP A 97 -13.852 11.012 -15.426 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.871 13.100 -14.964 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.974 12.468 -17.395 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.227 10.801 -16.917 1.00 0.00 H new ATOM 1548 N SER A 98 -17.190 11.245 -13.614 1.00 0.00 N ATOM 1549 CA SER A 98 -17.533 10.450 -12.445 1.00 0.00 C ATOM 1550 C SER A 98 -17.551 8.944 -12.713 1.00 0.00 C ATOM 1551 O SER A 98 -17.290 8.162 -11.803 1.00 0.00 O ATOM 1552 CB SER A 98 -18.872 10.908 -11.871 1.00 0.00 C ATOM 1553 OG SER A 98 -19.900 10.707 -12.821 1.00 0.00 O ATOM 0 H SER A 98 -17.904 11.916 -13.899 1.00 0.00 H new ATOM 0 HA SER A 98 -16.742 10.617 -11.714 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.095 10.354 -10.959 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.819 11.962 -11.598 1.00 0.00 H new ATOM 0 HG SER A 98 -20.756 11.002 -12.445 1.00 0.00 H new ATOM 1559 N HIS A 99 -17.853 8.515 -13.942 1.00 0.00 N ATOM 1560 CA HIS A 99 -17.862 7.098 -14.279 1.00 0.00 C ATOM 1561 C HIS A 99 -17.863 6.918 -15.797 1.00 0.00 C ATOM 1562 O HIS A 99 -17.980 7.893 -16.542 1.00 0.00 O ATOM 1563 CB HIS A 99 -19.086 6.444 -13.630 1.00 0.00 C ATOM 1564 CG HIS A 99 -19.094 4.944 -13.750 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -20.006 4.200 -14.503 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -18.211 4.096 -13.146 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -19.646 2.917 -14.334 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -18.576 2.827 -13.525 1.00 0.00 N ATOM 0 H HIS A 99 -18.094 9.133 -14.717 1.00 0.00 H new ATOM 0 HA HIS A 99 -16.964 6.613 -13.896 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -19.119 6.717 -12.575 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -19.990 6.843 -14.091 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -17.390 4.368 -12.500 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -20.147 2.074 -14.786 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -18.114 1.963 -13.241 1.00 0.00 H new ATOM 1576 N HIS A 100 -17.736 5.670 -16.259 1.00 0.00 N ATOM 1577 CA HIS A 100 -17.736 5.344 -17.678 1.00 0.00 C ATOM 1578 C HIS A 100 -19.060 5.737 -18.341 1.00 0.00 C ATOM 1579 O HIS A 100 -20.071 5.923 -17.666 1.00 0.00 O ATOM 1580 CB HIS A 100 -17.465 3.849 -17.840 1.00 0.00 C ATOM 1581 CG HIS A 100 -17.328 3.418 -19.278 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -18.231 2.614 -19.976 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -16.297 3.754 -20.108 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -17.720 2.484 -21.212 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -16.561 3.155 -21.318 1.00 0.00 N ATOM 0 H HIS A 100 -17.630 4.858 -15.651 1.00 0.00 H new ATOM 0 HA HIS A 100 -16.951 5.913 -18.176 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -16.552 3.593 -17.303 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -18.276 3.288 -17.376 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -15.443 4.368 -19.863 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -18.178 1.918 -22.010 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -15.977 3.211 -22.152 1.00 0.00 H new ATOM 1593 N SER A 101 -19.050 5.860 -19.673 1.00 0.00 N ATOM 1594 CA SER A 101 -20.226 6.232 -20.451 1.00 0.00 C ATOM 1595 C SER A 101 -20.103 5.690 -21.873 1.00 0.00 C ATOM 1596 O SER A 101 -21.011 4.934 -22.285 1.00 0.00 O ATOM 1597 CB SER A 101 -20.362 7.752 -20.475 1.00 0.00 C ATOM 1598 OG SER A 101 -21.531 8.112 -21.177 1.00 0.00 O ATOM 1599 OXT SER A 101 -19.099 6.036 -22.537 1.00 0.00 O ATOM 0 H SER A 101 -18.217 5.702 -20.241 1.00 0.00 H new ATOM 0 HA SER A 101 -21.115 5.802 -19.990 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.403 8.139 -19.457 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.488 8.198 -20.951 1.00 0.00 H new ATOM 0 HG SER A 101 -21.617 9.088 -21.190 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -14.656 -2.768 -13.188 1.00 0.00 O ATOM 1607 C5' U B 102 -13.258 -2.652 -13.015 1.00 0.00 C ATOM 1608 C4' U B 102 -12.881 -2.591 -11.528 1.00 0.00 C ATOM 1609 O4' U B 102 -13.352 -1.371 -10.970 1.00 0.00 O ATOM 1610 C3' U B 102 -13.504 -3.741 -10.734 1.00 0.00 C ATOM 1611 O3' U B 102 -12.669 -4.143 -9.660 1.00 0.00 O ATOM 1612 C2' U B 102 -14.767 -3.081 -10.197 1.00 0.00 C ATOM 1613 O2' U B 102 -15.253 -3.711 -9.027 1.00 0.00 O ATOM 1614 C1' U B 102 -14.281 -1.657 -9.933 1.00 0.00 C ATOM 1615 N1 U B 102 -15.364 -0.638 -9.895 1.00 0.00 N ATOM 1616 C2 U B 102 -14.987 0.684 -9.693 1.00 0.00 C ATOM 1617 O2 U B 102 -13.816 1.016 -9.525 1.00 0.00 O ATOM 1618 N3 U B 102 -15.999 1.623 -9.683 1.00 0.00 N ATOM 1619 C4 U B 102 -17.348 1.368 -9.841 1.00 0.00 C ATOM 1620 O4 U B 102 -18.167 2.284 -9.818 1.00 0.00 O ATOM 1621 C5 U B 102 -17.659 -0.031 -10.026 1.00 0.00 C ATOM 1622 C6 U B 102 -16.686 -0.971 -10.039 1.00 0.00 C ATOM 0 H5' U B 102 -12.901 -1.754 -13.520 1.00 0.00 H new ATOM 0 H5'' U B 102 -12.760 -3.501 -13.484 1.00 0.00 H new ATOM 0 H4' U B 102 -11.795 -2.665 -11.465 1.00 0.00 H new ATOM 0 H3' U B 102 -13.670 -4.642 -11.324 1.00 0.00 H new ATOM 0 H2' U B 102 -15.615 -3.137 -10.880 1.00 0.00 H new ATOM 0 HO2' U B 102 -14.510 -4.140 -8.554 1.00 0.00 H new ATOM 0 HO5' U B 102 -14.865 -2.803 -14.145 1.00 0.00 H new ATOM 0 H1' U B 102 -13.836 -1.605 -8.939 1.00 0.00 H new ATOM 0 H3 U B 102 -15.725 2.596 -9.546 1.00 0.00 H new ATOM 0 H5 U B 102 -18.688 -0.332 -10.156 1.00 0.00 H new ATOM 0 H6 U B 102 -16.957 -2.009 -10.166 1.00 0.00 H new ATOM 1634 P G B 103 -11.198 -4.751 -9.908 1.00 0.00 P ATOM 1635 OP1 G B 103 -11.135 -5.267 -11.295 1.00 0.00 O ATOM 1636 OP2 G B 103 -10.868 -5.647 -8.777 1.00 0.00 O ATOM 1637 O5' G B 103 -10.265 -3.442 -9.806 1.00 0.00 O ATOM 1638 C5' G B 103 -10.061 -2.815 -8.557 1.00 0.00 C ATOM 1639 C4' G B 103 -9.403 -1.446 -8.722 1.00 0.00 C ATOM 1640 O4' G B 103 -8.021 -1.555 -9.036 1.00 0.00 O ATOM 1641 C3' G B 103 -10.058 -0.605 -9.831 1.00 0.00 C ATOM 1642 O3' G B 103 -10.612 0.619 -9.352 1.00 0.00 O ATOM 1643 C2' G B 103 -8.902 -0.397 -10.796 1.00 0.00 C ATOM 1644 O2' G B 103 -9.013 0.783 -11.562 1.00 0.00 O ATOM 1645 C1' G B 103 -7.747 -0.406 -9.810 1.00 0.00 C ATOM 1646 N9 G B 103 -6.443 -0.354 -10.483 1.00 0.00 N ATOM 1647 C8 G B 103 -5.658 0.755 -10.655 1.00 0.00 C ATOM 1648 N7 G B 103 -4.528 0.507 -11.260 1.00 0.00 N ATOM 1649 C5 G B 103 -4.577 -0.865 -11.516 1.00 0.00 C ATOM 1650 C6 G B 103 -3.619 -1.729 -12.130 1.00 0.00 C ATOM 1651 O6 G B 103 -2.506 -1.450 -12.567 1.00 0.00 O ATOM 1652 N1 G B 103 -4.068 -3.036 -12.212 1.00 0.00 N ATOM 1653 C2 G B 103 -5.279 -3.482 -11.740 1.00 0.00 C ATOM 1654 N2 G B 103 -5.552 -4.775 -11.899 1.00 0.00 N ATOM 1655 N3 G B 103 -6.169 -2.690 -11.137 1.00 0.00 N ATOM 1656 C4 G B 103 -5.760 -1.395 -11.060 1.00 0.00 C ATOM 0 H5' G B 103 -9.435 -3.448 -7.928 1.00 0.00 H new ATOM 0 H5'' G B 103 -11.016 -2.702 -8.044 1.00 0.00 H new ATOM 0 H4' G B 103 -9.537 -0.954 -7.759 1.00 0.00 H new ATOM 0 H3' G B 103 -10.921 -1.090 -10.287 1.00 0.00 H new ATOM 0 H2' G B 103 -8.818 -1.139 -11.590 1.00 0.00 H new ATOM 0 HO2' G B 103 -8.671 1.542 -11.045 1.00 0.00 H new ATOM 0 H1' G B 103 -7.671 0.475 -9.172 1.00 0.00 H new ATOM 0 H8 G B 103 -5.946 1.741 -10.322 1.00 0.00 H new ATOM 0 H1 G B 103 -3.454 -3.719 -12.656 1.00 0.00 H new ATOM 0 H21 G B 103 -6.438 -5.154 -11.565 1.00 0.00 H new ATOM 0 H22 G B 103 -4.875 -5.387 -12.355 1.00 0.00 H new ATOM 1668 P G B 104 -9.755 1.762 -8.595 1.00 0.00 P ATOM 1669 OP1 G B 104 -8.778 2.336 -9.551 1.00 0.00 O ATOM 1670 OP2 G B 104 -9.275 1.219 -7.303 1.00 0.00 O ATOM 1671 O5' G B 104 -10.846 2.898 -8.278 1.00 0.00 O ATOM 1672 C5' G B 104 -11.043 3.966 -9.174 1.00 0.00 C ATOM 1673 C4' G B 104 -11.443 5.185 -8.357 1.00 0.00 C ATOM 1674 O4' G B 104 -10.480 5.439 -7.346 1.00 0.00 O ATOM 1675 C3' G B 104 -11.455 6.467 -9.179 1.00 0.00 C ATOM 1676 O3' G B 104 -12.436 6.581 -10.209 1.00 0.00 O ATOM 1677 C2' G B 104 -11.486 7.462 -8.027 1.00 0.00 C ATOM 1678 O2' G B 104 -12.701 7.431 -7.311 1.00 0.00 O ATOM 1679 C1' G B 104 -10.438 6.839 -7.117 1.00 0.00 C ATOM 1680 N9 G B 104 -9.124 7.430 -7.435 1.00 0.00 N ATOM 1681 C8 G B 104 -8.615 8.603 -6.954 1.00 0.00 C ATOM 1682 N7 G B 104 -7.472 8.944 -7.481 1.00 0.00 N ATOM 1683 C5 G B 104 -7.169 7.885 -8.338 1.00 0.00 C ATOM 1684 C6 G B 104 -6.019 7.661 -9.159 1.00 0.00 C ATOM 1685 O6 G B 104 -5.065 8.408 -9.357 1.00 0.00 O ATOM 1686 N1 G B 104 -6.057 6.423 -9.776 1.00 0.00 N ATOM 1687 C2 G B 104 -7.084 5.522 -9.653 1.00 0.00 C ATOM 1688 N2 G B 104 -6.932 4.364 -10.284 1.00 0.00 N ATOM 1689 N3 G B 104 -8.188 5.746 -8.938 1.00 0.00 N ATOM 1690 C4 G B 104 -8.160 6.934 -8.287 1.00 0.00 C ATOM 0 H5' G B 104 -11.819 3.719 -9.899 1.00 0.00 H new ATOM 0 H5'' G B 104 -10.132 4.165 -9.738 1.00 0.00 H new ATOM 0 H4' G B 104 -12.435 4.952 -7.970 1.00 0.00 H new ATOM 0 H3' G B 104 -10.618 6.597 -9.866 1.00 0.00 H new ATOM 0 H2' G B 104 -11.342 8.490 -8.358 1.00 0.00 H new ATOM 0 HO2' G B 104 -13.206 6.629 -7.559 1.00 0.00 H new ATOM 0 H1' G B 104 -10.625 7.030 -6.060 1.00 0.00 H new ATOM 0 H8 G B 104 -9.116 9.196 -6.203 1.00 0.00 H new ATOM 0 H1 G B 104 -5.265 6.162 -10.364 1.00 0.00 H new ATOM 0 H21 G B 104 -7.662 3.654 -10.230 1.00 0.00 H new ATOM 0 H22 G B 104 -6.085 4.184 -10.823 1.00 0.00 H new ATOM 1702 P A B 105 -14.027 6.362 -10.012 1.00 0.00 P ATOM 1703 OP1 A B 105 -14.281 5.786 -8.674 1.00 0.00 O ATOM 1704 OP2 A B 105 -14.530 5.657 -11.211 1.00 0.00 O ATOM 1705 O5' A B 105 -14.643 7.859 -10.034 1.00 0.00 O ATOM 1706 C5' A B 105 -14.526 8.681 -8.900 1.00 0.00 C ATOM 1707 C4' A B 105 -15.318 9.980 -8.972 1.00 0.00 C ATOM 1708 O4' A B 105 -16.593 9.843 -9.577 1.00 0.00 O ATOM 1709 C3' A B 105 -15.591 10.342 -7.522 1.00 0.00 C ATOM 1710 O3' A B 105 -15.853 11.730 -7.442 1.00 0.00 O ATOM 1711 C2' A B 105 -16.858 9.524 -7.245 1.00 0.00 C ATOM 1712 O2' A B 105 -17.701 10.169 -6.316 1.00 0.00 O ATOM 1713 C1' A B 105 -17.525 9.385 -8.615 1.00 0.00 C ATOM 1714 N9 A B 105 -17.944 7.992 -8.898 1.00 0.00 N ATOM 1715 C8 A B 105 -17.240 6.852 -8.652 1.00 0.00 C ATOM 1716 N7 A B 105 -17.839 5.747 -8.987 1.00 0.00 N ATOM 1717 C5 A B 105 -19.051 6.191 -9.507 1.00 0.00 C ATOM 1718 C6 A B 105 -20.169 5.523 -10.047 1.00 0.00 C ATOM 1719 N6 A B 105 -20.253 4.196 -10.170 1.00 0.00 N ATOM 1720 N1 A B 105 -21.205 6.251 -10.466 1.00 0.00 N ATOM 1721 C2 A B 105 -21.138 7.569 -10.362 1.00 0.00 C ATOM 1722 N3 A B 105 -20.163 8.322 -9.883 1.00 0.00 N ATOM 1723 C4 A B 105 -19.122 7.559 -9.462 1.00 0.00 C ATOM 0 H5' A B 105 -13.474 8.921 -8.749 1.00 0.00 H new ATOM 0 H5'' A B 105 -14.854 8.119 -8.025 1.00 0.00 H new ATOM 0 H4' A B 105 -14.750 10.703 -9.557 1.00 0.00 H new ATOM 0 H3' A B 105 -14.780 10.138 -6.823 1.00 0.00 H new ATOM 0 H2' A B 105 -16.635 8.556 -6.796 1.00 0.00 H new ATOM 0 HO2' A B 105 -17.920 11.067 -6.642 1.00 0.00 H new ATOM 0 H1' A B 105 -18.440 9.977 -8.643 1.00 0.00 H new ATOM 0 H8 A B 105 -16.255 6.865 -8.210 1.00 0.00 H new ATOM 0 H61 A B 105 -21.091 3.773 -10.570 1.00 0.00 H new ATOM 0 H62 A B 105 -19.479 3.606 -9.864 1.00 0.00 H new ATOM 0 H2 A B 105 -22.004 8.106 -10.720 1.00 0.00 H new ATOM 1735 P G B 106 -14.673 12.755 -7.077 1.00 0.00 P ATOM 1736 OP1 G B 106 -15.038 14.092 -7.595 1.00 0.00 O ATOM 1737 OP2 G B 106 -13.386 12.144 -7.473 1.00 0.00 O ATOM 1738 O5' G B 106 -14.757 12.793 -5.465 1.00 0.00 O ATOM 1739 C5' G B 106 -14.798 11.589 -4.730 1.00 0.00 C ATOM 1740 C4' G B 106 -14.694 11.780 -3.216 1.00 0.00 C ATOM 1741 O4' G B 106 -13.351 11.598 -2.805 1.00 0.00 O ATOM 1742 C3' G B 106 -15.086 13.170 -2.737 1.00 0.00 C ATOM 1743 O3' G B 106 -15.389 13.111 -1.356 1.00 0.00 O ATOM 1744 C2' G B 106 -13.787 13.930 -2.959 1.00 0.00 C ATOM 1745 O2' G B 106 -13.673 15.006 -2.059 1.00 0.00 O ATOM 1746 C1' G B 106 -12.732 12.868 -2.684 1.00 0.00 C ATOM 1747 N9 G B 106 -11.587 13.005 -3.601 1.00 0.00 N ATOM 1748 C8 G B 106 -11.573 13.131 -4.961 1.00 0.00 C ATOM 1749 N7 G B 106 -10.376 13.243 -5.469 1.00 0.00 N ATOM 1750 C5 G B 106 -9.537 13.187 -4.357 1.00 0.00 C ATOM 1751 C6 G B 106 -8.112 13.248 -4.266 1.00 0.00 C ATOM 1752 O6 G B 106 -7.297 13.371 -5.181 1.00 0.00 O ATOM 1753 N1 G B 106 -7.667 13.152 -2.958 1.00 0.00 N ATOM 1754 C2 G B 106 -8.491 13.037 -1.863 1.00 0.00 C ATOM 1755 N2 G B 106 -7.904 12.989 -0.669 1.00 0.00 N ATOM 1756 N3 G B 106 -9.822 12.969 -1.934 1.00 0.00 N ATOM 1757 C4 G B 106 -10.274 13.044 -3.210 1.00 0.00 C ATOM 0 H5' G B 106 -13.983 10.945 -5.061 1.00 0.00 H new ATOM 0 H5'' G B 106 -15.728 11.068 -4.957 1.00 0.00 H new ATOM 0 H4' G B 106 -15.383 11.050 -2.790 1.00 0.00 H new ATOM 0 H3' G B 106 -15.951 13.609 -3.234 1.00 0.00 H new ATOM 0 H2' G B 106 -13.705 14.374 -3.951 1.00 0.00 H new ATOM 0 HO2' G B 106 -13.694 14.667 -1.140 1.00 0.00 H new ATOM 0 H1' G B 106 -12.332 12.987 -1.677 1.00 0.00 H new ATOM 0 H8 G B 106 -12.471 13.137 -5.561 1.00 0.00 H new ATOM 0 H1 G B 106 -6.660 13.168 -2.796 1.00 0.00 H new ATOM 0 H21 G B 106 -8.471 12.904 0.175 1.00 0.00 H new ATOM 0 H22 G B 106 -6.888 13.037 -0.598 1.00 0.00 H new ATOM 1769 P U B 107 -16.903 13.229 -0.831 1.00 0.00 P ATOM 1770 OP1 U B 107 -16.903 13.043 0.638 1.00 0.00 O ATOM 1771 OP2 U B 107 -17.759 12.370 -1.676 1.00 0.00 O ATOM 1772 O5' U B 107 -17.229 14.774 -1.146 1.00 0.00 O ATOM 1773 C5' U B 107 -16.450 15.792 -0.563 1.00 0.00 C ATOM 1774 C4' U B 107 -16.329 17.028 -1.467 1.00 0.00 C ATOM 1775 O4' U B 107 -16.166 16.620 -2.818 1.00 0.00 O ATOM 1776 C3' U B 107 -17.556 17.931 -1.426 1.00 0.00 C ATOM 1777 O3' U B 107 -17.238 19.235 -1.874 1.00 0.00 O ATOM 1778 C2' U B 107 -18.413 17.182 -2.419 1.00 0.00 C ATOM 1779 O2' U B 107 -19.508 17.947 -2.892 1.00 0.00 O ATOM 1780 C1' U B 107 -17.386 16.856 -3.497 1.00 0.00 C ATOM 1781 N1 U B 107 -17.755 15.716 -4.370 1.00 0.00 N ATOM 1782 C2 U B 107 -17.391 15.791 -5.710 1.00 0.00 C ATOM 1783 O2 U B 107 -16.785 16.754 -6.178 1.00 0.00 O ATOM 1784 N3 U B 107 -17.750 14.720 -6.508 1.00 0.00 N ATOM 1785 C4 U B 107 -18.454 13.602 -6.105 1.00 0.00 C ATOM 1786 O4 U B 107 -18.738 12.720 -6.908 1.00 0.00 O ATOM 1787 C5 U B 107 -18.796 13.601 -4.700 1.00 0.00 C ATOM 1788 C6 U B 107 -18.441 14.631 -3.893 1.00 0.00 C ATOM 0 H5' U B 107 -15.454 15.405 -0.347 1.00 0.00 H new ATOM 0 H5'' U B 107 -16.892 16.084 0.389 1.00 0.00 H new ATOM 0 H4' U B 107 -15.470 17.585 -1.092 1.00 0.00 H new ATOM 0 H3' U B 107 -18.008 18.094 -0.448 1.00 0.00 H new ATOM 0 H2' U B 107 -18.913 16.304 -2.009 1.00 0.00 H new ATOM 0 HO2' U B 107 -19.988 17.441 -3.580 1.00 0.00 H new ATOM 0 HO3' U B 107 -17.887 19.515 -2.552 1.00 0.00 H new ATOM 0 H1' U B 107 -17.315 17.694 -4.191 1.00 0.00 H new ATOM 0 H3 U B 107 -17.468 14.759 -7.487 1.00 0.00 H new ATOM 0 H5 U B 107 -19.343 12.766 -4.287 1.00 0.00 H new ATOM 0 H6 U B 107 -18.706 14.595 -2.847 1.00 0.00 H new TER 1800 U B 107