USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 880 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 4 ASN : amide:sc= 0.737 K(o=1.7,f=-3.5!) USER MOD Set 1.2: B 7 C O3' : rot 129:sc= 0.955 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.00958 K(o=-2,f=-13!) USER MOD Set 2.2: A 62 ASN : amide:sc= -2 K(o=-2,f=-5.4!) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= -1.12 USER MOD Set 3.2: A 56 GLN : amide:sc= 0.909 K(o=-0.21,f=-7.3!) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.519 K(o=0.72,f=-0.2) USER MOD Set 4.2: B 5 U O2' : rot -38:sc= 1.24 USER MOD Set 5.1: A 6 THR OG1 : rot 82:sc= 2.01 USER MOD Set 5.2: A 47 SER OG : rot -108:sc= 1.11 USER MOD Set 5.3: A 49 HIS : no HD1:sc= -2.39 K(o=0.73,f=-0.74) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.0634 (180deg=-0.393) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 160:sc= 0.0134 USER MOD Single : A 14 MET CE :methyl 180:sc= -0.948 (180deg=-0.948) USER MOD Single : A 15 ASN : amide:sc= 1.1 K(o=1.1,f=-3.7!) USER MOD Single : A 22 ASN : amide:sc= 0.785 K(o=0.78,f=-0.13) USER MOD Single : A 24 ASN : amide:sc= -0.274 K(o=-0.27,f=-7.3!) USER MOD Single : A 25 THR OG1 : rot -10:sc= 1.05 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0.233 (180deg=0.188) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 1.21 (180deg=0.992) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -21:sc= 0.211 USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.17) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0832) USER MOD Single : A 46 CYS SG : rot 27:sc= 0.0303 USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0302) USER MOD Single : A 57 TYR OH : rot -27:sc= 0.827 USER MOD Single : A 74 MET CE :methyl -147:sc= -0.0789 (180deg=-0.941) USER MOD Single : A 78 GLN :FLIP amide:sc= -2.04 F(o=-3.3,f=-2) USER MOD Single : A 83 ASN : amide:sc= 0.58 K(o=0.58,f=-0.16) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0745) USER MOD Single : A 91 ASN : amide:sc= -0.356 X(o=-0.36,f=0.023) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 157:sc= -0.119 (180deg=-0.849) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 A O2' : rot 27:sc= 0.201 USER MOD Single : B 1 A O5' : rot -75:sc= 0.725 USER MOD Single : B 2 U O2' : rot 27:sc= 0.095 USER MOD Single : B 3 U O2' : rot -35:sc= 1.05 USER MOD Single : B 4 U O2' : rot 18:sc= 0.145 USER MOD Single : B 6 U O2' : rot 150:sc= 0.519 USER MOD Single : B 7 C O2' : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 1.039 10.838 -6.730 1.00 0.00 N ATOM 2 CA ALA A 2 0.286 11.604 -5.719 1.00 0.00 C ATOM 3 C ALA A 2 1.102 11.766 -4.440 1.00 0.00 C ATOM 4 O ALA A 2 2.118 11.093 -4.262 1.00 0.00 O ATOM 5 CB ALA A 2 -1.060 10.941 -5.414 1.00 0.00 C ATOM 0 HA ALA A 2 0.092 12.594 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.593 11.527 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.655 10.889 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.891 9.934 -5.033 1.00 0.00 H new ATOM 12 N SER A 3 0.654 12.657 -3.550 1.00 0.00 N ATOM 13 CA SER A 3 1.328 12.932 -2.288 1.00 0.00 C ATOM 14 C SER A 3 1.265 11.719 -1.355 1.00 0.00 C ATOM 15 O SER A 3 0.691 10.689 -1.699 1.00 0.00 O ATOM 16 CB SER A 3 0.697 14.165 -1.637 1.00 0.00 C ATOM 17 OG SER A 3 1.479 14.599 -0.540 1.00 0.00 O ATOM 0 H SER A 3 -0.192 13.209 -3.691 1.00 0.00 H new ATOM 0 HA SER A 3 2.382 13.133 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.611 14.967 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.313 13.930 -1.301 1.00 0.00 H new ATOM 0 HG SER A 3 1.064 15.389 -0.135 1.00 0.00 H new ATOM 23 N ASN A 4 1.859 11.842 -0.168 1.00 0.00 N ATOM 24 CA ASN A 4 1.945 10.756 0.798 1.00 0.00 C ATOM 25 C ASN A 4 1.079 11.008 2.036 1.00 0.00 C ATOM 26 O ASN A 4 1.316 10.407 3.084 1.00 0.00 O ATOM 27 CB ASN A 4 3.417 10.487 1.145 1.00 0.00 C ATOM 28 CG ASN A 4 4.110 11.671 1.812 1.00 0.00 C ATOM 29 OD1 ASN A 4 3.492 12.690 2.100 1.00 0.00 O ATOM 30 ND2 ASN A 4 5.408 11.538 2.059 1.00 0.00 N ATOM 0 H ASN A 4 2.297 12.707 0.149 1.00 0.00 H new ATOM 0 HA ASN A 4 1.535 9.854 0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.474 9.623 1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.955 10.227 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.923 12.298 2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.890 10.675 1.805 1.00 0.00 H new ATOM 37 N VAL A 5 0.081 11.894 1.927 1.00 0.00 N ATOM 38 CA VAL A 5 -0.706 12.349 3.063 1.00 0.00 C ATOM 39 C VAL A 5 -2.159 11.936 2.913 1.00 0.00 C ATOM 40 O VAL A 5 -2.770 12.167 1.873 1.00 0.00 O ATOM 41 CB VAL A 5 -0.589 13.867 3.199 1.00 0.00 C ATOM 42 CG1 VAL A 5 -1.296 14.342 4.463 1.00 0.00 C ATOM 43 CG2 VAL A 5 0.883 14.268 3.267 1.00 0.00 C ATOM 0 H VAL A 5 -0.199 12.313 1.040 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.317 11.882 3.968 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.057 14.330 2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.204 15.425 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.350 14.070 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.840 13.871 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.961 15.351 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.350 13.792 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.390 13.948 2.357 1.00 0.00 H new ATOM 53 N THR A 6 -2.710 11.322 3.961 1.00 0.00 N ATOM 54 CA THR A 6 -4.082 10.833 3.947 1.00 0.00 C ATOM 55 C THR A 6 -4.726 10.888 5.334 1.00 0.00 C ATOM 56 O THR A 6 -5.716 10.199 5.561 1.00 0.00 O ATOM 57 CB THR A 6 -4.130 9.392 3.418 1.00 0.00 C ATOM 58 OG1 THR A 6 -3.390 8.546 4.267 1.00 0.00 O ATOM 59 CG2 THR A 6 -3.522 9.251 2.025 1.00 0.00 C ATOM 0 H THR A 6 -2.217 11.152 4.838 1.00 0.00 H new ATOM 0 HA THR A 6 -4.649 11.489 3.286 1.00 0.00 H new ATOM 0 HB THR A 6 -5.185 9.121 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.940 8.293 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.584 8.211 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.070 9.881 1.324 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.477 9.560 2.051 1.00 0.00 H new ATOM 67 N ASN A 7 -4.195 11.687 6.269 1.00 0.00 N ATOM 68 CA ASN A 7 -4.681 11.687 7.649 1.00 0.00 C ATOM 69 C ASN A 7 -5.201 13.048 8.127 1.00 0.00 C ATOM 70 O ASN A 7 -5.100 13.370 9.310 1.00 0.00 O ATOM 71 CB ASN A 7 -3.596 11.129 8.569 1.00 0.00 C ATOM 72 CG ASN A 7 -4.109 10.831 9.971 1.00 0.00 C ATOM 73 OD1 ASN A 7 -5.279 10.515 10.172 1.00 0.00 O ATOM 74 ND2 ASN A 7 -3.222 10.932 10.952 1.00 0.00 N ATOM 0 H ASN A 7 -3.431 12.339 6.092 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.555 11.037 7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.191 10.216 8.133 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.776 11.844 8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.503 10.744 11.915 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.259 11.197 10.744 1.00 0.00 H new ATOM 81 N LYS A 8 -5.762 13.858 7.226 1.00 0.00 N ATOM 82 CA LYS A 8 -6.399 15.112 7.616 1.00 0.00 C ATOM 83 C LYS A 8 -7.742 14.816 8.286 1.00 0.00 C ATOM 84 O LYS A 8 -8.192 13.671 8.286 1.00 0.00 O ATOM 85 CB LYS A 8 -6.569 16.013 6.389 1.00 0.00 C ATOM 86 CG LYS A 8 -5.325 16.850 6.070 1.00 0.00 C ATOM 87 CD LYS A 8 -4.060 16.024 5.812 1.00 0.00 C ATOM 88 CE LYS A 8 -3.292 15.686 7.093 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.729 16.898 7.723 1.00 0.00 N ATOM 0 H LYS A 8 -5.787 13.666 6.225 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.771 15.640 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.813 15.395 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.415 16.681 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.529 17.464 5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.137 17.532 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.334 15.099 5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.405 16.575 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.958 15.185 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.488 14.987 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.957 16.628 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.360 17.533 6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.473 17.387 8.261 1.00 0.00 H new ATOM 103 N THR A 9 -8.393 15.829 8.856 1.00 0.00 N ATOM 104 CA THR A 9 -9.662 15.635 9.560 1.00 0.00 C ATOM 105 C THR A 9 -10.697 16.693 9.181 1.00 0.00 C ATOM 106 O THR A 9 -11.616 16.965 9.949 1.00 0.00 O ATOM 107 CB THR A 9 -9.440 15.571 11.077 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.785 16.737 11.530 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.600 14.349 11.451 1.00 0.00 C ATOM 0 H THR A 9 -8.063 16.794 8.845 1.00 0.00 H new ATOM 0 HA THR A 9 -10.071 14.676 9.242 1.00 0.00 H new ATOM 0 HB THR A 9 -10.417 15.494 11.553 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.652 16.682 12.499 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.455 14.324 12.531 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.115 13.442 11.133 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.631 14.409 10.956 1.00 0.00 H new ATOM 117 N ASP A 10 -10.558 17.294 7.996 1.00 0.00 N ATOM 118 CA ASP A 10 -11.488 18.308 7.518 1.00 0.00 C ATOM 119 C ASP A 10 -12.845 17.683 7.190 1.00 0.00 C ATOM 120 O ASP A 10 -12.918 16.498 6.856 1.00 0.00 O ATOM 121 CB ASP A 10 -10.893 19.001 6.294 1.00 0.00 C ATOM 122 CG ASP A 10 -9.622 19.767 6.658 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.759 20.920 7.124 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.527 19.197 6.467 1.00 0.00 O ATOM 0 H ASP A 10 -9.799 17.089 7.347 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.648 19.049 8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.668 18.260 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.626 19.687 5.869 1.00 0.00 H new ATOM 129 N PRO A 11 -13.928 18.471 7.273 1.00 0.00 N ATOM 130 CA PRO A 11 -15.297 18.005 7.093 1.00 0.00 C ATOM 131 C PRO A 11 -15.592 17.545 5.665 1.00 0.00 C ATOM 132 O PRO A 11 -16.678 17.029 5.408 1.00 0.00 O ATOM 133 CB PRO A 11 -16.176 19.196 7.474 1.00 0.00 C ATOM 134 CG PRO A 11 -15.287 20.404 7.189 1.00 0.00 C ATOM 135 CD PRO A 11 -13.904 19.889 7.572 1.00 0.00 C ATOM 0 HA PRO A 11 -15.486 17.127 7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.092 19.224 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.474 19.156 8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.333 20.705 6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.577 21.271 7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.124 20.397 7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.697 20.065 8.628 1.00 0.00 H new ATOM 143 N ARG A 12 -14.647 17.724 4.737 1.00 0.00 N ATOM 144 CA ARG A 12 -14.787 17.247 3.362 1.00 0.00 C ATOM 145 C ARG A 12 -13.617 16.354 2.954 1.00 0.00 C ATOM 146 O ARG A 12 -13.574 15.871 1.825 1.00 0.00 O ATOM 147 CB ARG A 12 -15.007 18.431 2.414 1.00 0.00 C ATOM 148 CG ARG A 12 -13.823 19.396 2.310 1.00 0.00 C ATOM 149 CD ARG A 12 -12.729 18.886 1.367 1.00 0.00 C ATOM 150 NE ARG A 12 -11.676 19.892 1.193 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.750 19.844 0.232 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.736 18.855 -0.660 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.825 20.798 0.161 1.00 0.00 N ATOM 0 H ARG A 12 -13.765 18.203 4.920 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.672 16.614 3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.233 18.046 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.883 18.987 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.178 20.365 1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.399 19.553 3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.298 17.968 1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.164 18.638 0.399 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.649 20.676 1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.440 18.118 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.021 18.834 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.826 21.561 0.838 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.115 20.767 -0.571 1.00 0.00 H new ATOM 167 N SER A 13 -12.673 16.142 3.874 1.00 0.00 N ATOM 168 CA SER A 13 -11.525 15.273 3.661 1.00 0.00 C ATOM 169 C SER A 13 -11.740 13.932 4.358 1.00 0.00 C ATOM 170 O SER A 13 -11.128 12.930 3.994 1.00 0.00 O ATOM 171 CB SER A 13 -10.261 15.973 4.164 1.00 0.00 C ATOM 172 OG SER A 13 -9.123 15.207 3.846 1.00 0.00 O ATOM 0 H SER A 13 -12.689 16.576 4.797 1.00 0.00 H new ATOM 0 HA SER A 13 -11.407 15.072 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.180 16.962 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.321 16.118 5.243 1.00 0.00 H new ATOM 0 HG SER A 13 -8.327 15.778 3.871 1.00 0.00 H new ATOM 178 N MET A 14 -12.623 13.917 5.365 1.00 0.00 N ATOM 179 CA MET A 14 -12.995 12.711 6.093 1.00 0.00 C ATOM 180 C MET A 14 -13.932 11.826 5.269 1.00 0.00 C ATOM 181 O MET A 14 -14.163 10.672 5.626 1.00 0.00 O ATOM 182 CB MET A 14 -13.667 13.131 7.402 1.00 0.00 C ATOM 183 CG MET A 14 -12.615 13.550 8.428 1.00 0.00 C ATOM 184 SD MET A 14 -12.220 12.277 9.662 1.00 0.00 S ATOM 185 CE MET A 14 -11.957 10.832 8.601 1.00 0.00 C ATOM 0 H MET A 14 -13.101 14.755 5.696 1.00 0.00 H new ATOM 0 HA MET A 14 -12.101 12.123 6.298 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.354 13.957 7.217 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.260 12.305 7.796 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.701 13.824 7.901 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.965 14.443 8.945 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.706 9.969 9.217 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.867 10.623 8.038 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.140 11.033 7.908 1.00 0.00 H new ATOM 195 N ASN A 15 -14.468 12.358 4.171 1.00 0.00 N ATOM 196 CA ASN A 15 -15.387 11.641 3.301 1.00 0.00 C ATOM 197 C ASN A 15 -14.879 11.601 1.860 1.00 0.00 C ATOM 198 O ASN A 15 -15.521 10.999 1.002 1.00 0.00 O ATOM 199 CB ASN A 15 -16.782 12.259 3.415 1.00 0.00 C ATOM 200 CG ASN A 15 -16.740 13.777 3.492 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.732 14.463 2.474 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.706 14.305 4.711 1.00 0.00 N ATOM 0 H ASN A 15 -14.271 13.310 3.861 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.450 10.602 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.381 11.958 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.279 11.867 4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.672 15.318 4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.714 13.698 5.530 1.00 0.00 H new ATOM 209 N SER A 16 -13.731 12.232 1.588 1.00 0.00 N ATOM 210 CA SER A 16 -13.065 12.152 0.294 1.00 0.00 C ATOM 211 C SER A 16 -11.910 11.155 0.365 1.00 0.00 C ATOM 212 O SER A 16 -11.071 11.089 -0.532 1.00 0.00 O ATOM 213 CB SER A 16 -12.591 13.534 -0.145 1.00 0.00 C ATOM 214 OG SER A 16 -11.523 13.950 0.675 1.00 0.00 O ATOM 0 H SER A 16 -13.240 12.814 2.266 1.00 0.00 H new ATOM 0 HA SER A 16 -13.772 11.795 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.273 13.506 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.412 14.248 -0.081 1.00 0.00 H new ATOM 0 HG SER A 16 -11.219 14.837 0.391 1.00 0.00 H new ATOM 220 N ARG A 17 -11.875 10.375 1.448 1.00 0.00 N ATOM 221 CA ARG A 17 -10.812 9.428 1.736 1.00 0.00 C ATOM 222 C ARG A 17 -11.325 8.001 1.645 1.00 0.00 C ATOM 223 O ARG A 17 -12.514 7.748 1.830 1.00 0.00 O ATOM 224 CB ARG A 17 -10.272 9.762 3.122 1.00 0.00 C ATOM 225 CG ARG A 17 -9.079 8.891 3.521 1.00 0.00 C ATOM 226 CD ARG A 17 -8.570 9.359 4.881 1.00 0.00 C ATOM 227 NE ARG A 17 -8.326 10.802 4.840 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.401 11.631 5.879 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.602 11.183 7.115 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.274 12.933 5.669 1.00 0.00 N ATOM 0 H ARG A 17 -12.604 10.390 2.161 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.008 9.505 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.975 10.810 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.068 9.638 3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.374 7.843 3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.288 8.967 2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.301 9.125 5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.652 8.831 5.139 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.077 11.207 3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.703 10.182 7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.655 11.840 7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.122 13.285 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.329 13.584 6.453 1.00 0.00 H new ATOM 244 N VAL A 18 -10.416 7.068 1.360 1.00 0.00 N ATOM 245 CA VAL A 18 -10.742 5.658 1.234 1.00 0.00 C ATOM 246 C VAL A 18 -9.915 4.860 2.231 1.00 0.00 C ATOM 247 O VAL A 18 -8.689 4.948 2.233 1.00 0.00 O ATOM 248 CB VAL A 18 -10.455 5.180 -0.191 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.925 3.742 -0.375 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.142 6.059 -1.236 1.00 0.00 C ATOM 0 H VAL A 18 -9.429 7.276 1.210 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.801 5.510 1.444 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.377 5.244 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.713 3.418 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.400 3.095 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.998 3.683 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.912 5.685 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.220 6.036 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.784 7.084 -1.141 1.00 0.00 H new ATOM 260 N PHE A 19 -10.594 4.083 3.074 1.00 0.00 N ATOM 261 CA PHE A 19 -9.947 3.152 3.983 1.00 0.00 C ATOM 262 C PHE A 19 -9.876 1.799 3.275 1.00 0.00 C ATOM 263 O PHE A 19 -10.875 1.362 2.705 1.00 0.00 O ATOM 264 CB PHE A 19 -10.748 3.080 5.281 1.00 0.00 C ATOM 265 CG PHE A 19 -10.271 2.021 6.248 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.900 1.840 6.485 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.204 1.213 6.912 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.464 0.847 7.374 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.768 0.230 7.813 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.399 0.043 8.043 1.00 0.00 C ATOM 0 H PHE A 19 -11.612 4.085 3.142 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.938 3.471 4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.706 4.051 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.794 2.890 5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.179 2.467 5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.260 1.347 6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.407 0.701 7.544 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.490 -0.384 8.331 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.064 -0.718 8.733 1.00 0.00 H new ATOM 280 N ILE A 20 -8.719 1.137 3.303 1.00 0.00 N ATOM 281 CA ILE A 20 -8.519 -0.123 2.594 1.00 0.00 C ATOM 282 C ILE A 20 -7.978 -1.152 3.577 1.00 0.00 C ATOM 283 O ILE A 20 -6.769 -1.260 3.767 1.00 0.00 O ATOM 284 CB ILE A 20 -7.559 0.084 1.414 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.083 1.184 0.479 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.391 -1.224 0.632 1.00 0.00 C ATOM 287 CD1 ILE A 20 -7.011 1.615 -0.521 1.00 0.00 C ATOM 0 H ILE A 20 -7.898 1.459 3.816 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.464 -0.484 2.188 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.591 0.391 1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.960 0.822 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.402 2.044 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.708 -1.064 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.986 -1.992 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.360 -1.547 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.411 2.395 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.145 2.000 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.712 0.759 -1.125 1.00 0.00 H new ATOM 299 N GLY A 21 -8.879 -1.909 4.205 1.00 0.00 N ATOM 300 CA GLY A 21 -8.517 -2.881 5.225 1.00 0.00 C ATOM 301 C GLY A 21 -8.301 -4.285 4.662 1.00 0.00 C ATOM 302 O GLY A 21 -8.586 -4.548 3.492 1.00 0.00 O ATOM 0 H GLY A 21 -9.880 -1.862 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.606 -2.552 5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.301 -2.915 5.981 1.00 0.00 H new ATOM 306 N ASN A 22 -7.797 -5.183 5.513 1.00 0.00 N ATOM 307 CA ASN A 22 -7.548 -6.586 5.212 1.00 0.00 C ATOM 308 C ASN A 22 -6.627 -6.777 3.996 1.00 0.00 C ATOM 309 O ASN A 22 -6.555 -7.866 3.426 1.00 0.00 O ATOM 310 CB ASN A 22 -8.881 -7.332 5.091 1.00 0.00 C ATOM 311 CG ASN A 22 -8.714 -8.842 5.227 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.622 -9.367 6.335 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.672 -9.559 4.109 1.00 0.00 N ATOM 0 H ASN A 22 -7.542 -4.937 6.469 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.995 -7.027 6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.566 -6.974 5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.336 -7.104 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.561 -10.572 4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.751 -9.097 3.203 1.00 0.00 H new ATOM 320 N LEU A 23 -5.912 -5.724 3.586 1.00 0.00 N ATOM 321 CA LEU A 23 -5.035 -5.769 2.427 1.00 0.00 C ATOM 322 C LEU A 23 -3.839 -6.681 2.709 1.00 0.00 C ATOM 323 O LEU A 23 -3.414 -6.813 3.857 1.00 0.00 O ATOM 324 CB LEU A 23 -4.622 -4.330 2.094 1.00 0.00 C ATOM 325 CG LEU A 23 -3.800 -4.185 0.810 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.550 -4.723 -0.408 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.507 -2.704 0.583 1.00 0.00 C ATOM 0 H LEU A 23 -5.930 -4.818 4.054 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.543 -6.192 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.520 -3.719 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.044 -3.929 2.927 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.882 -4.760 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.933 -4.602 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.771 -5.780 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.482 -4.171 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.922 -2.584 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.445 -2.158 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.944 -2.310 1.430 1.00 0.00 H new ATOM 339 N ASN A 24 -3.290 -7.314 1.664 1.00 0.00 N ATOM 340 CA ASN A 24 -2.187 -8.256 1.819 1.00 0.00 C ATOM 341 C ASN A 24 -0.933 -7.569 2.359 1.00 0.00 C ATOM 342 O ASN A 24 -0.225 -8.143 3.183 1.00 0.00 O ATOM 343 CB ASN A 24 -1.895 -8.924 0.472 1.00 0.00 C ATOM 344 CG ASN A 24 -1.171 -7.988 -0.485 1.00 0.00 C ATOM 345 OD1 ASN A 24 0.056 -7.969 -0.538 1.00 0.00 O ATOM 346 ND2 ASN A 24 -1.909 -7.195 -1.251 1.00 0.00 N ATOM 0 H ASN A 24 -3.597 -7.186 0.700 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.480 -9.014 2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.290 -9.816 0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.831 -9.252 0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.459 -6.551 -1.902 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.927 -7.229 -1.189 1.00 0.00 H new ATOM 353 N THR A 25 -0.675 -6.345 1.882 1.00 0.00 N ATOM 354 CA THR A 25 0.457 -5.499 2.251 1.00 0.00 C ATOM 355 C THR A 25 1.828 -6.176 2.204 1.00 0.00 C ATOM 356 O THR A 25 2.788 -5.622 2.737 1.00 0.00 O ATOM 357 CB THR A 25 0.197 -4.795 3.587 1.00 0.00 C ATOM 358 OG1 THR A 25 0.218 -5.713 4.657 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.171 -4.117 3.548 1.00 0.00 C ATOM 0 H THR A 25 -1.283 -5.900 1.194 1.00 0.00 H new ATOM 0 HA THR A 25 0.522 -4.747 1.464 1.00 0.00 H new ATOM 0 HB THR A 25 0.984 -4.057 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.236 -6.627 4.304 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.356 -3.616 4.498 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.191 -3.384 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.944 -4.866 3.376 1.00 0.00 H new ATOM 367 N LEU A 26 1.945 -7.357 1.584 1.00 0.00 N ATOM 368 CA LEU A 26 3.236 -8.015 1.413 1.00 0.00 C ATOM 369 C LEU A 26 3.731 -7.884 -0.024 1.00 0.00 C ATOM 370 O LEU A 26 4.931 -7.975 -0.276 1.00 0.00 O ATOM 371 CB LEU A 26 3.159 -9.508 1.748 1.00 0.00 C ATOM 372 CG LEU A 26 2.574 -9.868 3.115 1.00 0.00 C ATOM 373 CD1 LEU A 26 3.032 -11.292 3.428 1.00 0.00 C ATOM 374 CD2 LEU A 26 3.026 -8.936 4.238 1.00 0.00 C ATOM 0 H LEU A 26 1.157 -7.873 1.194 1.00 0.00 H new ATOM 0 HA LEU A 26 3.925 -7.521 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.562 -10.000 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.164 -9.925 1.686 1.00 0.00 H new ATOM 0 HG LEU A 26 1.489 -9.772 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.638 -11.596 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.664 -11.970 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.121 -11.327 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.572 -9.252 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.112 -8.975 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.717 -7.916 4.011 1.00 0.00 H new ATOM 386 N VAL A 27 2.806 -7.671 -0.966 1.00 0.00 N ATOM 387 CA VAL A 27 3.112 -7.610 -2.387 1.00 0.00 C ATOM 388 C VAL A 27 2.733 -6.248 -2.959 1.00 0.00 C ATOM 389 O VAL A 27 3.234 -5.854 -4.011 1.00 0.00 O ATOM 390 CB VAL A 27 2.358 -8.733 -3.112 1.00 0.00 C ATOM 391 CG1 VAL A 27 2.835 -8.858 -4.560 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.571 -10.078 -2.419 1.00 0.00 C ATOM 0 H VAL A 27 1.817 -7.536 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 27 4.184 -7.745 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 27 1.299 -8.474 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.288 -9.660 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.657 -7.919 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.901 -9.084 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.025 -10.854 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.634 -10.320 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.207 -10.021 -1.393 1.00 0.00 H new ATOM 402 N VAL A 28 1.848 -5.525 -2.265 1.00 0.00 N ATOM 403 CA VAL A 28 1.409 -4.209 -2.702 1.00 0.00 C ATOM 404 C VAL A 28 2.408 -3.150 -2.243 1.00 0.00 C ATOM 405 O VAL A 28 3.283 -3.420 -1.421 1.00 0.00 O ATOM 406 CB VAL A 28 -0.005 -3.938 -2.168 1.00 0.00 C ATOM 407 CG1 VAL A 28 0.034 -3.063 -0.919 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.878 -3.238 -3.211 1.00 0.00 C ATOM 0 H VAL A 28 1.423 -5.838 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 28 1.368 -4.169 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.433 -4.911 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.982 -2.889 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.609 -3.565 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.503 -2.109 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.871 -3.063 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.425 -2.285 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.961 -3.867 -4.097 1.00 0.00 H new ATOM 418 N LYS A 29 2.276 -1.934 -2.776 1.00 0.00 N ATOM 419 CA LYS A 29 3.078 -0.786 -2.372 1.00 0.00 C ATOM 420 C LYS A 29 2.289 0.490 -2.617 1.00 0.00 C ATOM 421 O LYS A 29 1.194 0.457 -3.168 1.00 0.00 O ATOM 422 CB LYS A 29 4.395 -0.755 -3.146 1.00 0.00 C ATOM 423 CG LYS A 29 4.183 -0.852 -4.661 1.00 0.00 C ATOM 424 CD LYS A 29 5.042 -1.957 -5.275 1.00 0.00 C ATOM 425 CE LYS A 29 4.614 -3.330 -4.756 1.00 0.00 C ATOM 426 NZ LYS A 29 5.380 -4.411 -5.402 1.00 0.00 N ATOM 0 H LYS A 29 1.600 -1.720 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 29 3.311 -0.867 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.928 0.167 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.027 -1.580 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.131 -1.048 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.429 0.103 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.955 -1.930 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.091 -1.784 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.759 -3.374 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.550 -3.475 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.927 -5.325 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.403 -4.254 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.352 -4.417 -5.031 1.00 0.00 H new ATOM 440 N LYS A 30 2.856 1.626 -2.207 1.00 0.00 N ATOM 441 CA LYS A 30 2.196 2.909 -2.394 1.00 0.00 C ATOM 442 C LYS A 30 1.975 3.190 -3.877 1.00 0.00 C ATOM 443 O LYS A 30 0.973 3.800 -4.240 1.00 0.00 O ATOM 444 CB LYS A 30 3.038 4.011 -1.746 1.00 0.00 C ATOM 445 CG LYS A 30 2.394 5.361 -2.063 1.00 0.00 C ATOM 446 CD LYS A 30 3.049 6.485 -1.270 1.00 0.00 C ATOM 447 CE LYS A 30 2.375 7.802 -1.639 1.00 0.00 C ATOM 448 NZ LYS A 30 2.701 8.223 -3.015 1.00 0.00 N ATOM 0 H LYS A 30 3.765 1.679 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 30 1.217 2.884 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.093 3.861 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.060 3.980 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.481 5.567 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.329 5.322 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.953 6.298 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.115 6.532 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.295 7.697 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.687 8.577 -0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.397 9.207 -3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.728 8.152 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.209 7.607 -3.693 1.00 0.00 H new ATOM 462 N SER A 31 2.906 2.742 -4.723 1.00 0.00 N ATOM 463 CA SER A 31 2.843 2.986 -6.154 1.00 0.00 C ATOM 464 C SER A 31 1.829 2.057 -6.813 1.00 0.00 C ATOM 465 O SER A 31 1.486 2.249 -7.979 1.00 0.00 O ATOM 466 CB SER A 31 4.227 2.798 -6.771 1.00 0.00 C ATOM 467 OG SER A 31 5.154 3.656 -6.135 1.00 0.00 O ATOM 0 H SER A 31 3.720 2.202 -4.430 1.00 0.00 H new ATOM 0 HA SER A 31 2.518 4.013 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.545 1.761 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.192 3.013 -7.839 1.00 0.00 H new ATOM 0 HG SER A 31 6.041 3.531 -6.532 1.00 0.00 H new ATOM 473 N ASP A 32 1.348 1.055 -6.072 1.00 0.00 N ATOM 474 CA ASP A 32 0.317 0.155 -6.548 1.00 0.00 C ATOM 475 C ASP A 32 -1.047 0.668 -6.101 1.00 0.00 C ATOM 476 O ASP A 32 -1.997 0.635 -6.878 1.00 0.00 O ATOM 477 CB ASP A 32 0.578 -1.247 -5.991 1.00 0.00 C ATOM 478 CG ASP A 32 1.608 -2.032 -6.802 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.135 -1.476 -7.793 1.00 0.00 O ATOM 480 OD2 ASP A 32 1.861 -3.194 -6.417 1.00 0.00 O ATOM 0 H ASP A 32 1.669 0.852 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 32 0.331 0.109 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.923 -1.164 -4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.359 -1.803 -5.969 1.00 0.00 H new ATOM 485 N VAL A 33 -1.164 1.145 -4.861 1.00 0.00 N ATOM 486 CA VAL A 33 -2.448 1.608 -4.357 1.00 0.00 C ATOM 487 C VAL A 33 -2.866 2.886 -5.079 1.00 0.00 C ATOM 488 O VAL A 33 -4.048 3.070 -5.370 1.00 0.00 O ATOM 489 CB VAL A 33 -2.380 1.788 -2.839 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.696 2.337 -2.296 1.00 0.00 C ATOM 491 CG2 VAL A 33 -2.125 0.434 -2.174 1.00 0.00 C ATOM 0 H VAL A 33 -0.393 1.219 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.215 0.860 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.574 2.488 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.622 2.456 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.903 3.304 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.504 1.644 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.077 0.563 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.935 -0.251 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.181 0.024 -2.533 1.00 0.00 H new ATOM 501 N GLU A 34 -1.919 3.779 -5.383 1.00 0.00 N ATOM 502 CA GLU A 34 -2.239 4.978 -6.147 1.00 0.00 C ATOM 503 C GLU A 34 -2.413 4.665 -7.635 1.00 0.00 C ATOM 504 O GLU A 34 -2.612 5.578 -8.435 1.00 0.00 O ATOM 505 CB GLU A 34 -1.216 6.086 -5.892 1.00 0.00 C ATOM 506 CG GLU A 34 0.116 5.874 -6.612 1.00 0.00 C ATOM 507 CD GLU A 34 1.087 6.994 -6.252 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.051 8.036 -6.946 1.00 0.00 O ATOM 509 OE2 GLU A 34 1.860 6.811 -5.287 1.00 0.00 O ATOM 0 H GLU A 34 -0.939 3.693 -5.114 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.201 5.354 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.641 7.039 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.032 6.158 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.540 4.910 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.043 5.852 -7.690 1.00 0.00 H new ATOM 516 N ALA A 35 -2.339 3.385 -8.005 1.00 0.00 N ATOM 517 CA ALA A 35 -2.519 2.936 -9.379 1.00 0.00 C ATOM 518 C ALA A 35 -3.729 2.009 -9.514 1.00 0.00 C ATOM 519 O ALA A 35 -4.126 1.677 -10.629 1.00 0.00 O ATOM 520 CB ALA A 35 -1.240 2.235 -9.824 1.00 0.00 C ATOM 0 H ALA A 35 -2.150 2.627 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.714 3.797 -10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.353 1.890 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.404 2.932 -9.765 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.048 1.381 -9.174 1.00 0.00 H new ATOM 526 N ILE A 36 -4.316 1.595 -8.385 1.00 0.00 N ATOM 527 CA ILE A 36 -5.487 0.727 -8.359 1.00 0.00 C ATOM 528 C ILE A 36 -6.731 1.540 -8.001 1.00 0.00 C ATOM 529 O ILE A 36 -7.852 1.092 -8.233 1.00 0.00 O ATOM 530 CB ILE A 36 -5.233 -0.412 -7.361 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.101 -1.307 -7.879 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.489 -1.264 -7.158 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.479 -2.098 -6.728 1.00 0.00 C ATOM 0 H ILE A 36 -3.984 1.859 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.663 0.290 -9.342 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.957 0.033 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.487 -1.993 -8.633 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.339 -0.697 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.276 -2.062 -6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.294 -0.639 -6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.791 -1.699 -8.111 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.677 -2.729 -7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.075 -1.407 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.241 -2.723 -6.263 1.00 0.00 H new ATOM 545 N PHE A 37 -6.542 2.738 -7.439 1.00 0.00 N ATOM 546 CA PHE A 37 -7.641 3.614 -7.065 1.00 0.00 C ATOM 547 C PHE A 37 -7.665 4.875 -7.929 1.00 0.00 C ATOM 548 O PHE A 37 -8.592 5.673 -7.831 1.00 0.00 O ATOM 549 CB PHE A 37 -7.532 3.910 -5.568 1.00 0.00 C ATOM 550 CG PHE A 37 -7.864 2.712 -4.706 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.985 1.620 -4.639 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.061 2.691 -3.975 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.311 0.504 -3.858 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.389 1.569 -3.195 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.510 0.474 -3.134 1.00 0.00 C ATOM 0 H PHE A 37 -5.620 3.122 -7.233 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.597 3.124 -7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.520 4.245 -5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.203 4.731 -5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.056 1.640 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.731 3.537 -4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.635 -0.337 -3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.317 1.548 -2.642 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.758 -0.387 -2.531 1.00 0.00 H new ATOM 565 N SER A 38 -6.658 5.074 -8.783 1.00 0.00 N ATOM 566 CA SER A 38 -6.651 6.203 -9.705 1.00 0.00 C ATOM 567 C SER A 38 -7.631 5.957 -10.858 1.00 0.00 C ATOM 568 O SER A 38 -7.922 6.858 -11.645 1.00 0.00 O ATOM 569 CB SER A 38 -5.227 6.439 -10.198 1.00 0.00 C ATOM 570 OG SER A 38 -5.171 7.569 -11.042 1.00 0.00 O ATOM 0 H SER A 38 -5.841 4.468 -8.852 1.00 0.00 H new ATOM 0 HA SER A 38 -6.986 7.105 -9.193 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.561 6.582 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.873 5.560 -10.736 1.00 0.00 H new ATOM 0 HG SER A 38 -6.066 7.760 -11.393 1.00 0.00 H new ATOM 576 N LYS A 39 -8.148 4.727 -10.958 1.00 0.00 N ATOM 577 CA LYS A 39 -9.139 4.340 -11.953 1.00 0.00 C ATOM 578 C LYS A 39 -10.532 4.869 -11.602 1.00 0.00 C ATOM 579 O LYS A 39 -11.450 4.760 -12.415 1.00 0.00 O ATOM 580 CB LYS A 39 -9.181 2.814 -12.061 1.00 0.00 C ATOM 581 CG LYS A 39 -9.558 2.208 -10.709 1.00 0.00 C ATOM 582 CD LYS A 39 -9.629 0.687 -10.778 1.00 0.00 C ATOM 583 CE LYS A 39 -10.838 0.245 -11.599 1.00 0.00 C ATOM 584 NZ LYS A 39 -11.075 -1.204 -11.452 1.00 0.00 N ATOM 0 H LYS A 39 -7.881 3.964 -10.336 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.847 4.778 -12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.905 2.514 -12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.210 2.436 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.825 2.505 -9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.521 2.604 -10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.716 0.294 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.695 0.274 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.722 0.796 -11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.677 0.486 -12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.891 -1.483 -12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.232 -1.727 -11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.268 -1.425 -10.454 1.00 0.00 H new ATOM 598 N TYR A 40 -10.686 5.436 -10.400 1.00 0.00 N ATOM 599 CA TYR A 40 -11.973 5.876 -9.883 1.00 0.00 C ATOM 600 C TYR A 40 -11.945 7.328 -9.403 1.00 0.00 C ATOM 601 O TYR A 40 -12.973 7.842 -8.962 1.00 0.00 O ATOM 602 CB TYR A 40 -12.407 4.929 -8.762 1.00 0.00 C ATOM 603 CG TYR A 40 -13.150 3.709 -9.259 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.282 3.865 -10.072 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.713 2.425 -8.907 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.973 2.742 -10.546 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.401 1.297 -9.376 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.531 1.451 -10.203 1.00 0.00 C ATOM 609 OH TYR A 40 -15.193 0.353 -10.669 1.00 0.00 O ATOM 0 H TYR A 40 -9.910 5.601 -9.759 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.700 5.843 -10.694 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.526 4.607 -8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.043 5.473 -8.063 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.623 4.856 -10.334 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.846 2.304 -8.274 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.843 2.867 -11.173 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.064 0.308 -9.103 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.755 -0.458 -10.338 1.00 0.00 H new ATOM 619 N GLY A 41 -10.792 7.996 -9.481 1.00 0.00 N ATOM 620 CA GLY A 41 -10.726 9.391 -9.079 1.00 0.00 C ATOM 621 C GLY A 41 -9.312 9.952 -9.080 1.00 0.00 C ATOM 622 O GLY A 41 -8.339 9.210 -9.218 1.00 0.00 O ATOM 0 H GLY A 41 -9.913 7.599 -9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.345 9.985 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.150 9.494 -8.080 1.00 0.00 H new ATOM 626 N LYS A 42 -9.207 11.274 -8.922 1.00 0.00 N ATOM 627 CA LYS A 42 -7.935 11.970 -8.835 1.00 0.00 C ATOM 628 C LYS A 42 -7.382 11.809 -7.426 1.00 0.00 C ATOM 629 O LYS A 42 -7.935 12.364 -6.475 1.00 0.00 O ATOM 630 CB LYS A 42 -8.142 13.446 -9.182 1.00 0.00 C ATOM 631 CG LYS A 42 -6.922 14.298 -8.821 1.00 0.00 C ATOM 632 CD LYS A 42 -5.659 13.842 -9.549 1.00 0.00 C ATOM 633 CE LYS A 42 -4.462 14.599 -8.980 1.00 0.00 C ATOM 634 NZ LYS A 42 -4.512 16.033 -9.323 1.00 0.00 N ATOM 0 H LYS A 42 -10.016 11.892 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.219 11.550 -9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.348 13.542 -10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.017 13.823 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.124 15.340 -9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.755 14.251 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.519 12.768 -9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.751 14.031 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.440 14.484 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.540 14.164 -9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.621 16.489 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.644 16.140 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.306 16.482 -8.823 1.00 0.00 H new ATOM 648 N ILE A 43 -6.292 11.056 -7.293 1.00 0.00 N ATOM 649 CA ILE A 43 -5.638 10.882 -6.008 1.00 0.00 C ATOM 650 C ILE A 43 -4.673 12.041 -5.791 1.00 0.00 C ATOM 651 O ILE A 43 -3.854 12.340 -6.655 1.00 0.00 O ATOM 652 CB ILE A 43 -4.934 9.522 -5.954 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.968 8.404 -6.139 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.223 9.369 -4.609 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.360 7.004 -6.040 1.00 0.00 C ATOM 0 H ILE A 43 -5.846 10.558 -8.064 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.371 10.890 -5.201 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.196 9.457 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.748 8.509 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.448 8.518 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.722 8.402 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.486 10.164 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.953 9.432 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.142 6.257 -6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.600 6.882 -6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.905 6.874 -5.058 1.00 0.00 H new ATOM 667 N VAL A 44 -4.775 12.688 -4.628 1.00 0.00 N ATOM 668 CA VAL A 44 -3.897 13.789 -4.247 1.00 0.00 C ATOM 669 C VAL A 44 -3.104 13.434 -2.994 1.00 0.00 C ATOM 670 O VAL A 44 -2.368 14.263 -2.468 1.00 0.00 O ATOM 671 CB VAL A 44 -4.703 15.080 -4.060 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.187 15.584 -5.418 1.00 0.00 C ATOM 673 CG2 VAL A 44 -5.909 14.852 -3.147 1.00 0.00 C ATOM 0 H VAL A 44 -5.474 12.459 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.181 13.961 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.053 15.821 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.760 16.502 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.328 15.783 -6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.819 14.827 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.461 15.785 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.560 14.096 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.566 14.512 -2.170 1.00 0.00 H new ATOM 683 N GLY A 45 -3.257 12.195 -2.521 1.00 0.00 N ATOM 684 CA GLY A 45 -2.530 11.682 -1.373 1.00 0.00 C ATOM 685 C GLY A 45 -2.744 10.177 -1.262 1.00 0.00 C ATOM 686 O GLY A 45 -3.824 9.683 -1.573 1.00 0.00 O ATOM 0 H GLY A 45 -3.898 11.517 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.467 11.902 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.872 12.176 -0.463 1.00 0.00 H new ATOM 690 N CYS A 46 -1.723 9.439 -0.822 1.00 0.00 N ATOM 691 CA CYS A 46 -1.827 7.997 -0.670 1.00 0.00 C ATOM 692 C CYS A 46 -0.829 7.508 0.377 1.00 0.00 C ATOM 693 O CYS A 46 0.265 8.054 0.499 1.00 0.00 O ATOM 694 CB CYS A 46 -1.548 7.342 -2.024 1.00 0.00 C ATOM 695 SG CYS A 46 -1.701 5.541 -1.884 1.00 0.00 S ATOM 0 H CYS A 46 -0.814 9.823 -0.565 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.829 7.728 -0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.248 7.718 -2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.547 7.605 -2.365 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.525 5.249 -0.922 1.00 0.00 H new ATOM 701 N SER A 47 -1.197 6.476 1.139 1.00 0.00 N ATOM 702 CA SER A 47 -0.290 5.854 2.091 1.00 0.00 C ATOM 703 C SER A 47 -0.616 4.371 2.224 1.00 0.00 C ATOM 704 O SER A 47 -1.732 3.940 1.934 1.00 0.00 O ATOM 705 CB SER A 47 -0.354 6.553 3.453 1.00 0.00 C ATOM 706 OG SER A 47 -1.609 6.348 4.063 1.00 0.00 O ATOM 0 H SER A 47 -2.125 6.055 1.110 1.00 0.00 H new ATOM 0 HA SER A 47 0.729 5.957 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.436 6.172 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.176 7.621 3.327 1.00 0.00 H new ATOM 0 HG SER A 47 -2.120 7.184 4.050 1.00 0.00 H new ATOM 712 N VAL A 48 0.363 3.581 2.666 1.00 0.00 N ATOM 713 CA VAL A 48 0.196 2.144 2.813 1.00 0.00 C ATOM 714 C VAL A 48 0.840 1.700 4.117 1.00 0.00 C ATOM 715 O VAL A 48 1.849 2.261 4.545 1.00 0.00 O ATOM 716 CB VAL A 48 0.797 1.413 1.609 1.00 0.00 C ATOM 717 CG1 VAL A 48 0.600 -0.099 1.727 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.137 1.892 0.317 1.00 0.00 C ATOM 0 H VAL A 48 1.288 3.922 2.930 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.865 1.895 2.847 1.00 0.00 H new ATOM 0 HB VAL A 48 1.864 1.634 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.037 -0.592 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.088 -0.460 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.465 -0.324 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.573 1.365 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.933 1.690 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.300 2.964 0.201 1.00 0.00 H new ATOM 728 N HIS A 49 0.249 0.684 4.748 1.00 0.00 N ATOM 729 CA HIS A 49 0.651 0.211 6.061 1.00 0.00 C ATOM 730 C HIS A 49 0.570 -1.314 6.084 1.00 0.00 C ATOM 731 O HIS A 49 0.351 -1.931 5.042 1.00 0.00 O ATOM 732 CB HIS A 49 -0.283 0.844 7.101 1.00 0.00 C ATOM 733 CG HIS A 49 -0.487 2.321 6.883 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.280 3.340 7.451 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.447 2.875 6.086 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.238 4.484 6.972 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.269 4.237 6.150 1.00 0.00 N ATOM 0 H HIS A 49 -0.533 0.163 4.350 1.00 0.00 H new ATOM 0 HA HIS A 49 1.677 0.496 6.292 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.249 0.340 7.069 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.128 0.682 8.097 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.198 2.347 5.517 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.127 5.471 7.216 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.824 4.937 5.658 1.00 0.00 H new ATOM 745 N LYS A 50 0.742 -1.937 7.251 1.00 0.00 N ATOM 746 CA LYS A 50 0.559 -3.379 7.371 1.00 0.00 C ATOM 747 C LYS A 50 -0.916 -3.694 7.603 1.00 0.00 C ATOM 748 O LYS A 50 -1.547 -3.112 8.484 1.00 0.00 O ATOM 749 CB LYS A 50 1.427 -3.935 8.502 1.00 0.00 C ATOM 750 CG LYS A 50 2.893 -4.089 8.086 1.00 0.00 C ATOM 751 CD LYS A 50 3.044 -5.206 7.046 1.00 0.00 C ATOM 752 CE LYS A 50 4.518 -5.500 6.766 1.00 0.00 C ATOM 753 NZ LYS A 50 5.195 -4.351 6.137 1.00 0.00 N ATOM 0 H LYS A 50 1.005 -1.468 8.118 1.00 0.00 H new ATOM 0 HA LYS A 50 0.873 -3.859 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.364 -3.272 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.036 -4.903 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.261 -3.149 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.503 -4.314 8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.551 -6.110 7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.545 -4.916 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.022 -5.753 7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.598 -6.370 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.168 -4.617 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.679 -4.072 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.215 -3.553 6.803 1.00 0.00 H new ATOM 767 N GLY A 51 -1.452 -4.619 6.809 1.00 0.00 N ATOM 768 CA GLY A 51 -2.834 -5.062 6.899 1.00 0.00 C ATOM 769 C GLY A 51 -3.842 -4.061 6.338 1.00 0.00 C ATOM 770 O GLY A 51 -5.007 -4.417 6.163 1.00 0.00 O ATOM 0 H GLY A 51 -0.924 -5.088 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.938 -6.006 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.075 -5.259 7.944 1.00 0.00 H new ATOM 774 N PHE A 52 -3.430 -2.822 6.049 1.00 0.00 N ATOM 775 CA PHE A 52 -4.334 -1.826 5.493 1.00 0.00 C ATOM 776 C PHE A 52 -3.574 -0.742 4.735 1.00 0.00 C ATOM 777 O PHE A 52 -2.351 -0.652 4.817 1.00 0.00 O ATOM 778 CB PHE A 52 -5.170 -1.195 6.608 1.00 0.00 C ATOM 779 CG PHE A 52 -4.364 -0.418 7.623 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.784 -1.069 8.718 1.00 0.00 C ATOM 781 CD2 PHE A 52 -4.198 0.967 7.464 1.00 0.00 C ATOM 782 CE1 PHE A 52 -3.027 -0.343 9.650 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.438 1.691 8.395 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.851 1.036 9.486 1.00 0.00 C ATOM 0 H PHE A 52 -2.476 -2.491 6.193 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.993 -2.331 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.908 -0.530 6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.721 -1.982 7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.919 -2.133 8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.654 1.474 6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.580 -0.848 10.494 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.305 2.756 8.271 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.263 1.595 10.200 1.00 0.00 H new ATOM 794 N ALA A 53 -4.316 0.086 3.999 1.00 0.00 N ATOM 795 CA ALA A 53 -3.777 1.210 3.253 1.00 0.00 C ATOM 796 C ALA A 53 -4.801 2.344 3.213 1.00 0.00 C ATOM 797 O ALA A 53 -5.944 2.168 3.638 1.00 0.00 O ATOM 798 CB ALA A 53 -3.408 0.746 1.845 1.00 0.00 C ATOM 0 H ALA A 53 -5.327 -0.013 3.907 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.878 1.587 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.003 1.585 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.660 -0.045 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.297 0.366 1.342 1.00 0.00 H new ATOM 804 N PHE A 54 -4.390 3.509 2.700 1.00 0.00 N ATOM 805 CA PHE A 54 -5.260 4.671 2.603 1.00 0.00 C ATOM 806 C PHE A 54 -5.043 5.428 1.296 1.00 0.00 C ATOM 807 O PHE A 54 -3.945 5.437 0.741 1.00 0.00 O ATOM 808 CB PHE A 54 -5.009 5.605 3.787 1.00 0.00 C ATOM 809 CG PHE A 54 -5.934 5.379 4.958 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.251 5.848 4.893 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.483 4.712 6.107 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.125 5.649 5.967 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.358 4.510 7.184 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.677 4.977 7.110 1.00 0.00 C ATOM 0 H PHE A 54 -3.447 3.666 2.343 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.292 4.319 2.621 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.979 5.480 4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.112 6.637 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.594 6.366 4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.465 4.355 6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.141 6.012 5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -6.016 3.995 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.351 4.818 7.939 1.00 0.00 H new ATOM 824 N VAL A 55 -6.111 6.070 0.818 1.00 0.00 N ATOM 825 CA VAL A 55 -6.081 6.901 -0.378 1.00 0.00 C ATOM 826 C VAL A 55 -6.867 8.177 -0.108 1.00 0.00 C ATOM 827 O VAL A 55 -7.901 8.136 0.558 1.00 0.00 O ATOM 828 CB VAL A 55 -6.667 6.145 -1.575 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.726 7.044 -2.813 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.806 4.927 -1.906 1.00 0.00 C ATOM 0 H VAL A 55 -7.030 6.024 1.259 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.049 7.155 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.675 5.830 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.146 6.485 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.354 7.910 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.720 7.378 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.234 4.399 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.795 5.252 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.774 4.259 -1.045 1.00 0.00 H new ATOM 840 N GLN A 56 -6.377 9.302 -0.627 1.00 0.00 N ATOM 841 CA GLN A 56 -7.003 10.598 -0.450 1.00 0.00 C ATOM 842 C GLN A 56 -7.360 11.177 -1.814 1.00 0.00 C ATOM 843 O GLN A 56 -6.481 11.480 -2.617 1.00 0.00 O ATOM 844 CB GLN A 56 -6.035 11.502 0.315 1.00 0.00 C ATOM 845 CG GLN A 56 -6.626 12.873 0.642 1.00 0.00 C ATOM 846 CD GLN A 56 -7.736 12.762 1.676 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.477 12.663 2.872 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.983 12.770 1.223 1.00 0.00 N ATOM 0 H GLN A 56 -5.525 9.332 -1.187 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.926 10.512 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.742 11.009 1.242 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.128 11.635 -0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.841 13.530 1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.017 13.329 -0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.162 12.854 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.763 12.692 1.875 1.00 0.00 H new ATOM 857 N TYR A 57 -8.659 11.331 -2.071 1.00 0.00 N ATOM 858 CA TYR A 57 -9.153 11.936 -3.294 1.00 0.00 C ATOM 859 C TYR A 57 -9.381 13.432 -3.093 1.00 0.00 C ATOM 860 O TYR A 57 -9.124 13.971 -2.016 1.00 0.00 O ATOM 861 CB TYR A 57 -10.458 11.269 -3.728 1.00 0.00 C ATOM 862 CG TYR A 57 -10.331 9.857 -4.246 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.444 9.570 -5.292 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.127 8.843 -3.700 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.389 8.279 -5.838 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.082 7.552 -4.238 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.218 7.270 -5.313 1.00 0.00 C ATOM 868 OH TYR A 57 -10.193 6.019 -5.847 1.00 0.00 O ATOM 0 H TYR A 57 -9.396 11.036 -1.430 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.405 11.793 -4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.142 11.265 -2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.917 11.881 -4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.800 10.346 -5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.776 9.057 -2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.716 8.061 -6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.709 6.773 -3.829 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.921 6.070 -6.787 1.00 0.00 H new ATOM 878 N VAL A 58 -9.868 14.100 -4.142 1.00 0.00 N ATOM 879 CA VAL A 58 -10.121 15.532 -4.100 1.00 0.00 C ATOM 880 C VAL A 58 -11.497 15.822 -3.501 1.00 0.00 C ATOM 881 O VAL A 58 -11.710 16.892 -2.931 1.00 0.00 O ATOM 882 CB VAL A 58 -10.009 16.105 -5.515 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.301 17.605 -5.537 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.596 15.893 -6.054 1.00 0.00 C ATOM 0 H VAL A 58 -10.095 13.662 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.378 16.010 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.742 15.586 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.212 17.978 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.312 17.784 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.587 18.124 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.525 16.304 -7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.880 16.397 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.373 14.826 -6.081 1.00 0.00 H new ATOM 894 N ASN A 59 -12.431 14.875 -3.626 1.00 0.00 N ATOM 895 CA ASN A 59 -13.802 15.052 -3.164 1.00 0.00 C ATOM 896 C ASN A 59 -14.442 13.726 -2.746 1.00 0.00 C ATOM 897 O ASN A 59 -13.859 12.656 -2.918 1.00 0.00 O ATOM 898 CB ASN A 59 -14.622 15.717 -4.270 1.00 0.00 C ATOM 899 CG ASN A 59 -14.685 14.858 -5.518 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.169 13.733 -5.487 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.187 15.379 -6.631 1.00 0.00 N ATOM 0 H ASN A 59 -12.253 13.965 -4.051 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.786 15.689 -2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.633 15.908 -3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.184 16.684 -4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.200 14.840 -7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.791 16.319 -6.622 1.00 0.00 H new ATOM 908 N GLU A 60 -15.656 13.813 -2.192 1.00 0.00 N ATOM 909 CA GLU A 60 -16.398 12.658 -1.702 1.00 0.00 C ATOM 910 C GLU A 60 -16.855 11.759 -2.844 1.00 0.00 C ATOM 911 O GLU A 60 -16.862 10.536 -2.709 1.00 0.00 O ATOM 912 CB GLU A 60 -17.604 13.162 -0.905 1.00 0.00 C ATOM 913 CG GLU A 60 -18.633 12.052 -0.678 1.00 0.00 C ATOM 914 CD GLU A 60 -19.721 12.480 0.303 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.191 13.634 0.188 1.00 0.00 O ATOM 916 OE2 GLU A 60 -20.077 11.646 1.165 1.00 0.00 O ATOM 0 H GLU A 60 -16.151 14.697 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.746 12.059 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.269 13.550 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.072 13.990 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.089 11.779 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.130 11.163 -0.298 1.00 0.00 H new ATOM 923 N ARG A 61 -17.235 12.361 -3.970 1.00 0.00 N ATOM 924 CA ARG A 61 -17.739 11.639 -5.128 1.00 0.00 C ATOM 925 C ARG A 61 -16.708 10.611 -5.592 1.00 0.00 C ATOM 926 O ARG A 61 -17.066 9.492 -5.960 1.00 0.00 O ATOM 927 CB ARG A 61 -18.077 12.701 -6.184 1.00 0.00 C ATOM 928 CG ARG A 61 -17.733 12.329 -7.624 1.00 0.00 C ATOM 929 CD ARG A 61 -18.614 11.196 -8.145 1.00 0.00 C ATOM 930 NE ARG A 61 -18.279 10.854 -9.530 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.735 9.769 -10.166 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.548 8.915 -9.548 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.380 9.533 -11.425 1.00 0.00 N ATOM 0 H ARG A 61 -17.200 13.372 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.637 11.061 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.144 12.917 -6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.551 13.621 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.851 13.204 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.686 12.031 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.492 10.317 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.662 11.490 -8.084 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.659 11.483 -10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.828 9.085 -8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.891 8.090 -10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.758 10.180 -11.909 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.730 8.705 -11.907 1.00 0.00 H new ATOM 947 N ASN A 62 -15.428 10.982 -5.572 1.00 0.00 N ATOM 948 CA ASN A 62 -14.354 10.092 -5.988 1.00 0.00 C ATOM 949 C ASN A 62 -14.211 8.933 -4.997 1.00 0.00 C ATOM 950 O ASN A 62 -13.909 7.808 -5.392 1.00 0.00 O ATOM 951 CB ASN A 62 -13.059 10.907 -6.074 1.00 0.00 C ATOM 952 CG ASN A 62 -12.959 11.738 -7.349 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.922 11.743 -8.006 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.018 12.448 -7.723 1.00 0.00 N ATOM 0 H ASN A 62 -15.112 11.903 -5.268 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.577 9.662 -6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.995 11.569 -5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.206 10.230 -6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.980 13.012 -8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.869 12.429 -7.161 1.00 0.00 H new ATOM 961 N ALA A 63 -14.430 9.196 -3.703 1.00 0.00 N ATOM 962 CA ALA A 63 -14.313 8.153 -2.695 1.00 0.00 C ATOM 963 C ALA A 63 -15.438 7.136 -2.835 1.00 0.00 C ATOM 964 O ALA A 63 -15.192 5.938 -2.724 1.00 0.00 O ATOM 965 CB ALA A 63 -14.325 8.775 -1.302 1.00 0.00 C ATOM 0 H ALA A 63 -14.686 10.114 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.368 7.631 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.237 7.989 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.487 9.465 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.260 9.316 -1.153 1.00 0.00 H new ATOM 971 N ARG A 64 -16.669 7.592 -3.081 1.00 0.00 N ATOM 972 CA ARG A 64 -17.803 6.692 -3.242 1.00 0.00 C ATOM 973 C ARG A 64 -17.593 5.807 -4.467 1.00 0.00 C ATOM 974 O ARG A 64 -18.112 4.695 -4.519 1.00 0.00 O ATOM 975 CB ARG A 64 -19.090 7.510 -3.437 1.00 0.00 C ATOM 976 CG ARG A 64 -19.419 8.439 -2.265 1.00 0.00 C ATOM 977 CD ARG A 64 -19.816 7.668 -1.011 1.00 0.00 C ATOM 978 NE ARG A 64 -20.118 8.600 0.079 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.491 8.239 1.309 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.625 6.957 1.638 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.731 9.179 2.216 1.00 0.00 N ATOM 0 H ARG A 64 -16.901 8.581 -3.172 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.889 6.071 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.996 8.106 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.924 6.825 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.554 9.065 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.231 9.107 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.686 7.045 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.008 6.999 -0.715 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.037 9.598 -0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.442 6.231 0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.911 6.700 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.630 10.164 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -21.017 8.916 3.159 1.00 0.00 H new ATOM 995 N ALA A 65 -16.835 6.299 -5.451 1.00 0.00 N ATOM 996 CA ALA A 65 -16.584 5.571 -6.681 1.00 0.00 C ATOM 997 C ALA A 65 -15.699 4.358 -6.437 1.00 0.00 C ATOM 998 O ALA A 65 -15.943 3.296 -7.004 1.00 0.00 O ATOM 999 CB ALA A 65 -15.925 6.514 -7.683 1.00 0.00 C ATOM 0 H ALA A 65 -16.382 7.212 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.532 5.207 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.731 5.979 -8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.588 7.356 -7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.984 6.882 -7.273 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.670 4.500 -5.595 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.770 3.387 -5.317 1.00 0.00 C ATOM 1007 C ALA A 66 -14.231 2.562 -4.115 1.00 0.00 C ATOM 1008 O ALA A 66 -13.942 1.370 -4.038 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.366 3.935 -5.102 1.00 0.00 C ATOM 0 H ALA A 66 -14.445 5.364 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.774 2.710 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.682 3.112 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.039 4.460 -6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.370 4.626 -4.259 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.952 3.182 -3.175 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.486 2.477 -2.015 1.00 0.00 C ATOM 1017 C VAL A 67 -16.614 1.538 -2.433 1.00 0.00 C ATOM 1018 O VAL A 67 -16.909 0.570 -1.733 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.933 3.496 -0.954 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.831 2.856 0.098 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.695 4.059 -0.261 1.00 0.00 C ATOM 0 H VAL A 67 -15.178 4.176 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.708 1.855 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.498 4.283 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.126 3.607 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.720 2.448 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.289 2.054 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.999 4.784 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.144 3.248 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.057 4.548 -0.997 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.246 1.811 -3.577 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.238 0.915 -4.150 1.00 0.00 C ATOM 1033 C ALA A 68 -17.723 0.227 -5.421 1.00 0.00 C ATOM 1034 O ALA A 68 -18.370 -0.693 -5.920 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.519 1.702 -4.421 1.00 0.00 C ATOM 0 H ALA A 68 -17.082 2.656 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.447 0.118 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.269 1.039 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.895 2.118 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.308 2.512 -5.119 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.571 0.660 -5.952 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.027 0.107 -7.185 1.00 0.00 C ATOM 1043 C GLY A 69 -14.928 -0.934 -6.974 1.00 0.00 C ATOM 1044 O GLY A 69 -14.718 -1.775 -7.847 1.00 0.00 O ATOM 0 H GLY A 69 -16.000 1.397 -5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.838 -0.347 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.629 0.921 -7.791 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.229 -0.897 -5.834 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.123 -1.816 -5.562 1.00 0.00 C ATOM 1050 C GLU A 70 -13.382 -2.655 -4.313 1.00 0.00 C ATOM 1051 O GLU A 70 -12.686 -3.641 -4.089 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.824 -1.021 -5.397 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.401 -0.292 -6.675 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.872 -1.259 -7.728 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.720 -1.716 -7.565 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.615 -1.543 -8.696 1.00 0.00 O ATOM 0 H GLU A 70 -14.413 -0.234 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.035 -2.498 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.949 -0.293 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.027 -1.698 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.252 0.256 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.632 0.443 -6.437 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.363 -2.288 -3.487 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.625 -3.026 -2.261 1.00 0.00 C ATOM 1065 C ASP A 71 -14.973 -4.481 -2.570 1.00 0.00 C ATOM 1066 O ASP A 71 -15.825 -4.758 -3.415 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.745 -2.340 -1.483 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.158 -3.168 -0.270 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.246 -3.603 0.468 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.382 -3.361 -0.088 1.00 0.00 O ATOM 0 H ASP A 71 -14.981 -1.492 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.726 -3.031 -1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.415 -1.353 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.606 -2.190 -2.135 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.307 -5.409 -1.875 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.548 -6.833 -2.035 1.00 0.00 C ATOM 1077 C GLY A 72 -13.773 -7.436 -3.207 1.00 0.00 C ATOM 1078 O GLY A 72 -14.071 -8.559 -3.614 1.00 0.00 O ATOM 0 H GLY A 72 -13.587 -5.186 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.269 -7.350 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.614 -7.002 -2.185 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.788 -6.715 -3.758 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.008 -7.213 -4.884 1.00 0.00 C ATOM 1084 C ARG A 73 -10.767 -7.956 -4.411 1.00 0.00 C ATOM 1085 O ARG A 73 -10.335 -7.776 -3.274 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.651 -6.088 -5.855 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.414 -5.295 -5.422 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.862 -4.515 -6.613 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.183 -5.411 -7.556 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.533 -5.003 -8.649 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.476 -3.713 -8.960 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.935 -5.894 -9.434 1.00 0.00 N ATOM 0 H ARG A 73 -12.517 -5.785 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.629 -7.926 -5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.477 -6.511 -6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.499 -5.409 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.673 -4.610 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.653 -5.972 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.674 -3.995 -7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.165 -3.753 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.209 -6.412 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.931 -3.024 -8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.977 -3.412 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.973 -6.886 -9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.438 -5.585 -10.269 1.00 0.00 H new ATOM 1106 N MET A 74 -10.190 -8.782 -5.281 1.00 0.00 N ATOM 1107 CA MET A 74 -8.961 -9.496 -4.978 1.00 0.00 C ATOM 1108 C MET A 74 -7.751 -8.765 -5.544 1.00 0.00 C ATOM 1109 O MET A 74 -7.774 -8.277 -6.673 1.00 0.00 O ATOM 1110 CB MET A 74 -9.054 -10.931 -5.489 1.00 0.00 C ATOM 1111 CG MET A 74 -7.716 -11.640 -5.290 1.00 0.00 C ATOM 1112 SD MET A 74 -7.838 -13.441 -5.194 1.00 0.00 S ATOM 1113 CE MET A 74 -8.601 -13.532 -3.558 1.00 0.00 C ATOM 0 H MET A 74 -10.563 -8.972 -6.211 1.00 0.00 H new ATOM 0 HA MET A 74 -8.829 -9.533 -3.897 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.841 -11.465 -4.958 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.324 -10.934 -6.545 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.052 -11.376 -6.113 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.254 -11.269 -4.375 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.259 -14.432 -3.047 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.319 -12.655 -2.976 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.685 -13.564 -3.664 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.689 -8.703 -4.736 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.401 -8.140 -5.104 1.00 0.00 C ATOM 1125 C ILE A 75 -4.319 -8.985 -4.440 1.00 0.00 C ATOM 1126 O ILE A 75 -4.435 -9.325 -3.261 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.304 -6.671 -4.659 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.474 -5.854 -5.229 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -3.969 -6.064 -5.101 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.480 -4.415 -4.713 1.00 0.00 C ATOM 0 H ILE A 75 -6.710 -9.056 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.275 -8.155 -6.187 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.358 -6.640 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.414 -5.848 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.415 -6.337 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.917 -5.024 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.148 -6.624 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.890 -6.111 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.325 -3.878 -5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.568 -4.418 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.552 -3.922 -5.000 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.269 -9.325 -5.193 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.164 -10.146 -4.711 1.00 0.00 C ATOM 1144 C ALA A 76 -2.594 -11.505 -4.128 1.00 0.00 C ATOM 1145 O ALA A 76 -1.792 -12.173 -3.478 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.315 -9.345 -3.728 1.00 0.00 C ATOM 0 H ALA A 76 -3.165 -9.033 -6.165 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.560 -10.404 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.491 -9.963 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.916 -8.462 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.930 -9.037 -2.883 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.846 -11.929 -4.350 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.333 -13.227 -3.902 1.00 0.00 C ATOM 1154 C GLY A 77 -5.227 -13.144 -2.668 1.00 0.00 C ATOM 1155 O GLY A 77 -5.725 -14.170 -2.206 1.00 0.00 O ATOM 0 H GLY A 77 -4.545 -11.376 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.888 -13.699 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.481 -13.871 -3.682 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.440 -11.939 -2.130 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.296 -11.727 -0.970 1.00 0.00 C ATOM 1161 C GLN A 78 -7.309 -10.630 -1.280 1.00 0.00 C ATOM 1162 O GLN A 78 -7.096 -9.814 -2.175 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.467 -11.355 0.264 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.610 -12.507 0.800 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.493 -12.917 -0.150 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -2.750 -11.947 -0.672 1.00 0.00 O flip ATOM 1167 NE2 GLN A 78 -3.295 -14.098 -0.419 1.00 0.00 N flip ATOM 0 H GLN A 78 -5.020 -11.083 -2.492 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.823 -12.655 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.817 -10.516 0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.138 -11.015 1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.176 -12.214 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.250 -13.369 0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.882 -14.821 -0.003 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.544 -14.356 -1.059 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.415 -10.610 -0.542 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.456 -9.600 -0.716 1.00 0.00 C ATOM 1178 C VAL A 79 -9.283 -8.508 0.325 1.00 0.00 C ATOM 1179 O VAL A 79 -8.806 -8.760 1.430 1.00 0.00 O ATOM 1180 CB VAL A 79 -10.847 -10.240 -0.646 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -11.962 -9.196 -0.744 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.016 -11.220 -1.806 1.00 0.00 C ATOM 0 H VAL A 79 -8.615 -11.290 0.191 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.362 -9.147 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.923 -10.747 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.931 -9.692 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.871 -8.488 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.879 -8.663 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.005 -11.675 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.909 -10.687 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.255 -11.997 -1.739 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.674 -7.288 -0.038 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.563 -6.123 0.822 1.00 0.00 C ATOM 1194 C LEU A 80 -10.942 -5.531 1.076 1.00 0.00 C ATOM 1195 O LEU A 80 -11.798 -5.508 0.194 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.562 -5.083 0.282 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.300 -5.046 -1.230 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.588 -6.297 -1.747 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.588 -4.814 -2.009 1.00 0.00 C ATOM 0 H LEU A 80 -10.081 -7.084 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.152 -6.446 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.912 -4.096 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.607 -5.249 0.781 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.628 -4.204 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.432 -6.209 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.624 -6.400 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.199 -7.175 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.369 -4.793 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.291 -5.620 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.028 -3.862 -1.710 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.144 -5.054 2.304 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.402 -4.489 2.755 1.00 0.00 C ATOM 1213 C ASP A 81 -12.288 -2.969 2.705 1.00 0.00 C ATOM 1214 O ASP A 81 -11.644 -2.356 3.557 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.691 -5.013 4.166 1.00 0.00 C ATOM 1216 CG ASP A 81 -12.983 -6.513 4.142 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -14.151 -6.864 3.864 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -12.043 -7.294 4.401 1.00 0.00 O ATOM 0 H ASP A 81 -10.420 -5.052 3.022 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.235 -4.783 2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.837 -4.815 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.542 -4.480 4.589 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.918 -2.358 1.697 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.806 -0.934 1.451 1.00 0.00 C ATOM 1225 C ILE A 82 -14.060 -0.219 1.950 1.00 0.00 C ATOM 1226 O ILE A 82 -15.168 -0.740 1.828 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.562 -0.700 -0.038 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.261 -1.395 -0.462 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.477 0.797 -0.349 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.167 -1.487 -1.979 1.00 0.00 C ATOM 0 H ILE A 82 -13.519 -2.846 1.033 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.960 -0.520 2.000 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.399 -1.118 -0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.405 -0.843 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.220 -2.395 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.303 0.938 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.412 1.281 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.655 1.240 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.237 -1.983 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.012 -2.059 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.185 -0.484 -2.406 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.881 0.977 2.517 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.975 1.754 3.073 1.00 0.00 C ATOM 1244 C ASN A 83 -14.596 3.232 3.104 1.00 0.00 C ATOM 1245 O ASN A 83 -13.423 3.575 2.957 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.259 1.239 4.486 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.617 1.694 5.000 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.624 1.033 4.758 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.669 2.819 5.707 1.00 0.00 N ATOM 0 H ASN A 83 -12.970 1.428 2.600 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.869 1.648 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.217 0.150 4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.480 1.590 5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.563 3.155 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.815 3.346 5.891 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.579 4.117 3.294 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.294 5.530 3.486 1.00 0.00 C ATOM 1258 C LEU A 84 -14.550 5.683 4.810 1.00 0.00 C ATOM 1259 O LEU A 84 -14.652 4.819 5.681 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.593 6.342 3.500 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.478 7.577 2.598 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.883 7.239 1.167 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.394 8.674 3.133 1.00 0.00 C ATOM 0 H LEU A 84 -16.570 3.876 3.318 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.681 5.906 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.420 5.717 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.822 6.652 4.520 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.442 7.916 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.794 8.129 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.230 6.458 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.915 6.889 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.317 9.555 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.424 8.318 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.096 8.934 4.149 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.805 6.774 4.976 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.972 6.959 6.154 1.00 0.00 C ATOM 1277 C ALA A 85 -13.737 7.504 7.359 1.00 0.00 C ATOM 1278 O ALA A 85 -13.157 7.645 8.433 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.816 7.876 5.789 1.00 0.00 C ATOM 0 H ALA A 85 -13.764 7.542 4.306 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.604 5.980 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.181 8.026 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.231 7.423 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.206 8.838 5.455 1.00 0.00 H new ATOM 1285 N ALA A 86 -15.028 7.810 7.199 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.845 8.349 8.276 1.00 0.00 C ATOM 1287 C ALA A 86 -17.164 7.585 8.422 1.00 0.00 C ATOM 1288 O ALA A 86 -18.060 8.038 9.132 1.00 0.00 O ATOM 1289 CB ALA A 86 -16.094 9.832 8.019 1.00 0.00 C ATOM 0 H ALA A 86 -15.530 7.689 6.319 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.309 8.230 9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.706 10.243 8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.141 10.360 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.613 9.954 7.069 1.00 0.00 H new ATOM 1295 N GLU A 87 -17.291 6.429 7.753 1.00 0.00 N ATOM 1296 CA GLU A 87 -18.530 5.661 7.773 1.00 0.00 C ATOM 1297 C GLU A 87 -18.301 4.161 7.999 1.00 0.00 C ATOM 1298 O GLU A 87 -18.857 3.350 7.259 1.00 0.00 O ATOM 1299 CB GLU A 87 -19.320 5.905 6.482 1.00 0.00 C ATOM 1300 CG GLU A 87 -19.625 7.391 6.277 1.00 0.00 C ATOM 1301 CD GLU A 87 -20.580 7.614 5.103 1.00 0.00 C ATOM 1302 OE1 GLU A 87 -20.823 6.651 4.344 1.00 0.00 O ATOM 1303 OE2 GLU A 87 -21.064 8.762 4.973 1.00 0.00 O ATOM 0 H GLU A 87 -16.547 6.012 7.194 1.00 0.00 H new ATOM 0 HA GLU A 87 -19.112 6.012 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -18.752 5.529 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.253 5.343 6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -20.064 7.802 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.696 7.932 6.099 1.00 0.00 H new ATOM 1310 N PRO A 88 -17.499 3.763 8.996 1.00 0.00 N ATOM 1311 CA PRO A 88 -17.204 2.367 9.257 1.00 0.00 C ATOM 1312 C PRO A 88 -18.460 1.621 9.707 1.00 0.00 C ATOM 1313 O PRO A 88 -19.284 2.163 10.447 1.00 0.00 O ATOM 1314 CB PRO A 88 -16.126 2.374 10.342 1.00 0.00 C ATOM 1315 CG PRO A 88 -16.375 3.691 11.080 1.00 0.00 C ATOM 1316 CD PRO A 88 -16.829 4.619 9.957 1.00 0.00 C ATOM 0 HA PRO A 88 -16.857 1.848 8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -16.220 1.516 11.008 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.124 2.336 9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -17.137 3.586 11.852 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -15.473 4.058 11.570 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.502 5.390 10.332 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.980 5.130 9.503 1.00 0.00 H new ATOM 1324 N LYS A 89 -18.594 0.370 9.254 1.00 0.00 N ATOM 1325 CA LYS A 89 -19.728 -0.497 9.559 1.00 0.00 C ATOM 1326 C LYS A 89 -19.258 -1.905 9.930 1.00 0.00 C ATOM 1327 O LYS A 89 -20.077 -2.799 10.124 1.00 0.00 O ATOM 1328 CB LYS A 89 -20.657 -0.566 8.338 1.00 0.00 C ATOM 1329 CG LYS A 89 -21.325 0.772 8.013 1.00 0.00 C ATOM 1330 CD LYS A 89 -22.258 1.262 9.127 1.00 0.00 C ATOM 1331 CE LYS A 89 -23.381 0.263 9.412 1.00 0.00 C ATOM 1332 NZ LYS A 89 -24.263 0.081 8.240 1.00 0.00 N ATOM 0 H LYS A 89 -17.900 -0.074 8.652 1.00 0.00 H new ATOM 0 HA LYS A 89 -20.265 -0.081 10.412 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.085 -0.899 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -21.428 -1.315 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.555 1.523 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.893 0.673 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -21.681 1.429 10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.690 2.222 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -22.950 -0.697 9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -23.971 0.611 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -25.086 -0.495 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.587 1.010 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -23.738 -0.400 7.482 1.00 0.00 H new ATOM 1346 N VAL A 90 -17.942 -2.099 10.026 1.00 0.00 N ATOM 1347 CA VAL A 90 -17.345 -3.397 10.300 1.00 0.00 C ATOM 1348 C VAL A 90 -16.658 -3.374 11.662 1.00 0.00 C ATOM 1349 O VAL A 90 -16.240 -2.322 12.138 1.00 0.00 O ATOM 1350 CB VAL A 90 -16.395 -3.780 9.156 1.00 0.00 C ATOM 1351 CG1 VAL A 90 -15.796 -5.168 9.374 1.00 0.00 C ATOM 1352 CG2 VAL A 90 -17.151 -3.801 7.830 1.00 0.00 C ATOM 0 H VAL A 90 -17.259 -1.350 9.914 1.00 0.00 H new ATOM 0 HA VAL A 90 -18.115 -4.167 10.348 1.00 0.00 H new ATOM 0 HB VAL A 90 -15.598 -3.037 9.135 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -15.128 -5.410 8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -15.235 -5.180 10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -16.596 -5.906 9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -16.468 -4.074 7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -17.959 -4.531 7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -17.567 -2.813 7.633 1.00 0.00 H new ATOM 1362 N ASN A 91 -16.547 -4.547 12.288 1.00 0.00 N ATOM 1363 CA ASN A 91 -16.016 -4.694 13.635 1.00 0.00 C ATOM 1364 C ASN A 91 -14.492 -4.587 13.677 1.00 0.00 C ATOM 1365 O ASN A 91 -13.898 -4.744 14.742 1.00 0.00 O ATOM 1366 CB ASN A 91 -16.459 -6.040 14.217 1.00 0.00 C ATOM 1367 CG ASN A 91 -17.899 -6.392 13.877 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -18.823 -6.065 14.615 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -18.091 -7.068 12.747 1.00 0.00 N ATOM 0 H ASN A 91 -16.829 -5.431 11.864 1.00 0.00 H new ATOM 0 HA ASN A 91 -16.413 -3.875 14.235 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.801 -6.825 13.843 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -16.343 -6.016 15.301 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -19.035 -7.334 12.466 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -17.294 -7.320 12.162 1.00 0.00 H new ATOM 1376 N ARG A 92 -13.861 -4.331 12.525 1.00 0.00 N ATOM 1377 CA ARG A 92 -12.408 -4.338 12.390 1.00 0.00 C ATOM 1378 C ARG A 92 -11.808 -5.599 13.006 1.00 0.00 C ATOM 1379 O ARG A 92 -10.804 -5.546 13.712 1.00 0.00 O ATOM 1380 CB ARG A 92 -11.799 -3.048 12.942 1.00 0.00 C ATOM 1381 CG ARG A 92 -12.237 -1.865 12.073 1.00 0.00 C ATOM 1382 CD ARG A 92 -11.495 -0.587 12.473 1.00 0.00 C ATOM 1383 NE ARG A 92 -11.778 -0.212 13.864 1.00 0.00 N ATOM 1384 CZ ARG A 92 -10.875 -0.172 14.846 1.00 0.00 C ATOM 1385 NH1 ARG A 92 -9.596 -0.471 14.632 1.00 0.00 N ATOM 1386 NH2 ARG A 92 -11.256 0.173 16.071 1.00 0.00 N ATOM 0 H ARG A 92 -14.351 -4.112 11.658 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.155 -4.365 11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.119 -2.894 13.973 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.712 -3.122 12.953 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.044 -2.089 11.024 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.312 -1.713 12.174 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.422 -0.733 12.346 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.787 0.227 11.809 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.739 0.037 14.098 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.284 -0.739 13.699 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.927 -0.432 15.401 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.232 0.405 16.255 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.572 0.206 16.827 1.00 0.00 H new ATOM 1400 N GLY A 93 -12.446 -6.739 12.729 1.00 0.00 N ATOM 1401 CA GLY A 93 -12.097 -8.033 13.297 1.00 0.00 C ATOM 1402 C GLY A 93 -10.808 -8.634 12.746 1.00 0.00 C ATOM 1403 O GLY A 93 -10.504 -9.789 13.044 1.00 0.00 O ATOM 0 H GLY A 93 -13.238 -6.783 12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.002 -7.928 14.378 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.916 -8.729 13.115 1.00 0.00 H new ATOM 1407 N LYS A 94 -10.053 -7.869 11.948 1.00 0.00 N ATOM 1408 CA LYS A 94 -8.809 -8.306 11.325 1.00 0.00 C ATOM 1409 C LYS A 94 -8.983 -9.532 10.426 1.00 0.00 C ATOM 1410 O LYS A 94 -7.999 -10.074 9.928 1.00 0.00 O ATOM 1411 CB LYS A 94 -7.742 -8.521 12.404 1.00 0.00 C ATOM 1412 CG LYS A 94 -7.597 -7.277 13.288 1.00 0.00 C ATOM 1413 CD LYS A 94 -6.494 -7.458 14.332 1.00 0.00 C ATOM 1414 CE LYS A 94 -6.831 -8.611 15.277 1.00 0.00 C ATOM 1415 NZ LYS A 94 -5.788 -8.779 16.305 1.00 0.00 N ATOM 0 H LYS A 94 -10.301 -6.907 11.716 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.475 -7.514 10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.010 -9.380 13.019 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.786 -8.751 11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.372 -6.411 12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.543 -7.072 13.789 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.544 -7.654 13.835 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.371 -6.537 14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.791 -8.423 15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.935 -9.534 14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.043 -9.568 16.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.877 -8.982 15.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.707 -7.905 16.863 1.00 0.00 H new ATOM 1429 N ALA A 95 -10.227 -9.968 10.213 1.00 0.00 N ATOM 1430 CA ALA A 95 -10.553 -11.100 9.359 1.00 0.00 C ATOM 1431 C ALA A 95 -12.011 -11.009 8.913 1.00 0.00 C ATOM 1432 O ALA A 95 -12.820 -10.324 9.543 1.00 0.00 O ATOM 1433 CB ALA A 95 -10.312 -12.397 10.130 1.00 0.00 C ATOM 0 H ALA A 95 -11.046 -9.533 10.639 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.918 -11.088 8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.555 -13.249 9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.265 -12.454 10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.944 -12.415 11.018 1.00 0.00 H new ATOM 1439 N GLY A 96 -12.348 -11.708 7.827 1.00 0.00 N ATOM 1440 CA GLY A 96 -13.700 -11.739 7.284 1.00 0.00 C ATOM 1441 C GLY A 96 -14.615 -12.710 8.035 1.00 0.00 C ATOM 1442 O GLY A 96 -15.736 -12.956 7.596 1.00 0.00 O ATOM 0 H GLY A 96 -11.682 -12.272 7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.127 -10.737 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -13.659 -12.024 6.233 1.00 0.00 H new ATOM 1446 N VAL A 97 -14.141 -13.261 9.156 1.00 0.00 N ATOM 1447 CA VAL A 97 -14.884 -14.247 9.934 1.00 0.00 C ATOM 1448 C VAL A 97 -16.024 -13.599 10.718 1.00 0.00 C ATOM 1449 O VAL A 97 -16.994 -14.270 11.070 1.00 0.00 O ATOM 1450 CB VAL A 97 -13.913 -14.962 10.876 1.00 0.00 C ATOM 1451 CG1 VAL A 97 -14.634 -16.006 11.726 1.00 0.00 C ATOM 1452 CG2 VAL A 97 -12.828 -15.669 10.063 1.00 0.00 C ATOM 0 H VAL A 97 -13.227 -13.033 9.548 1.00 0.00 H new ATOM 0 HA VAL A 97 -15.338 -14.969 9.255 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.473 -14.210 11.531 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -13.918 -16.497 12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.403 -15.519 12.325 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -15.096 -16.748 11.076 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -12.139 -16.176 10.739 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -13.289 -16.400 9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -12.281 -14.935 9.471 1.00 0.00 H new ATOM 1462 N LYS A 98 -15.922 -12.300 10.996 1.00 0.00 N ATOM 1463 CA LYS A 98 -16.943 -11.588 11.755 1.00 0.00 C ATOM 1464 C LYS A 98 -18.178 -11.325 10.894 1.00 0.00 C ATOM 1465 O LYS A 98 -18.092 -11.276 9.667 1.00 0.00 O ATOM 1466 CB LYS A 98 -16.370 -10.281 12.301 1.00 0.00 C ATOM 1467 CG LYS A 98 -15.185 -10.507 13.250 1.00 0.00 C ATOM 1468 CD LYS A 98 -15.533 -11.388 14.453 1.00 0.00 C ATOM 1469 CE LYS A 98 -16.667 -10.769 15.272 1.00 0.00 C ATOM 1470 NZ LYS A 98 -16.974 -11.585 16.463 1.00 0.00 N ATOM 0 H LYS A 98 -15.137 -11.718 10.704 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.252 -12.211 12.595 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.050 -9.653 11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.154 -9.737 12.828 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.367 -10.967 12.696 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -14.825 -9.542 13.607 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.826 -12.380 14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.652 -11.516 15.082 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.388 -9.762 15.581 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.559 -10.677 14.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.747 -11.140 16.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.263 -12.539 16.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.129 -11.652 17.065 1.00 0.00 H new ATOM 1484 N ARG A 99 -19.326 -11.156 11.554 1.00 0.00 N ATOM 1485 CA ARG A 99 -20.611 -10.886 10.912 1.00 0.00 C ATOM 1486 C ARG A 99 -21.054 -9.456 11.207 1.00 0.00 C ATOM 1487 O ARG A 99 -20.507 -8.793 12.088 1.00 0.00 O ATOM 1488 CB ARG A 99 -21.663 -11.888 11.400 1.00 0.00 C ATOM 1489 CG ARG A 99 -21.826 -13.085 10.461 1.00 0.00 C ATOM 1490 CD ARG A 99 -20.553 -13.921 10.333 1.00 0.00 C ATOM 1491 NE ARG A 99 -20.798 -15.091 9.481 1.00 0.00 N ATOM 1492 CZ ARG A 99 -19.928 -16.086 9.283 1.00 0.00 C ATOM 1493 NH1 ARG A 99 -18.726 -16.076 9.854 1.00 0.00 N ATOM 1494 NH2 ARG A 99 -20.263 -17.108 8.501 1.00 0.00 N ATOM 0 H ARG A 99 -19.388 -11.204 12.571 1.00 0.00 H new ATOM 0 HA ARG A 99 -20.500 -10.998 9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -21.385 -12.246 12.391 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -22.622 -11.380 11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -22.635 -13.718 10.826 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -22.121 -12.728 9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -19.752 -13.315 9.909 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -20.220 -14.244 11.320 1.00 0.00 H new ATOM 0 HE ARG A 99 -21.698 -15.149 9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.454 -15.299 10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.077 -16.846 9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -21.180 -17.130 8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -19.603 -17.870 8.347 1.00 0.00 H new ATOM 1508 N SER A 100 -22.056 -8.988 10.459 1.00 0.00 N ATOM 1509 CA SER A 100 -22.645 -7.671 10.653 1.00 0.00 C ATOM 1510 C SER A 100 -23.688 -7.722 11.765 1.00 0.00 C ATOM 1511 O SER A 100 -24.236 -8.784 12.050 1.00 0.00 O ATOM 1512 CB SER A 100 -23.272 -7.203 9.341 1.00 0.00 C ATOM 1513 OG SER A 100 -23.862 -5.930 9.513 1.00 0.00 O ATOM 0 H SER A 100 -22.480 -9.519 9.699 1.00 0.00 H new ATOM 0 HA SER A 100 -21.871 -6.962 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 100 -22.512 -7.158 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 100 -24.024 -7.920 9.012 1.00 0.00 H new ATOM 0 HG SER A 100 -24.260 -5.637 8.667 1.00 0.00 H new ATOM 1519 N ALA A 101 -23.968 -6.577 12.394 1.00 0.00 N ATOM 1520 CA ALA A 101 -24.953 -6.499 13.459 1.00 0.00 C ATOM 1521 C ALA A 101 -26.374 -6.681 12.917 1.00 0.00 C ATOM 1522 O ALA A 101 -27.317 -6.849 13.692 1.00 0.00 O ATOM 1523 CB ALA A 101 -24.802 -5.157 14.168 1.00 0.00 C ATOM 0 H ALA A 101 -23.518 -5.688 12.176 1.00 0.00 H new ATOM 0 HA ALA A 101 -24.781 -7.307 14.170 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -25.536 -5.085 14.971 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -23.798 -5.077 14.586 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -24.964 -4.349 13.455 1.00 0.00 H new ATOM 1529 N ALA A 102 -26.528 -6.652 11.588 1.00 0.00 N ATOM 1530 CA ALA A 102 -27.808 -6.849 10.921 1.00 0.00 C ATOM 1531 C ALA A 102 -27.949 -8.278 10.390 1.00 0.00 C ATOM 1532 O ALA A 102 -29.017 -8.659 9.914 1.00 0.00 O ATOM 1533 CB ALA A 102 -27.919 -5.838 9.784 1.00 0.00 C ATOM 0 H ALA A 102 -25.755 -6.489 10.943 1.00 0.00 H new ATOM 0 HA ALA A 102 -28.615 -6.696 11.638 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -28.872 -5.970 9.272 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -27.861 -4.828 10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -27.103 -5.993 9.078 1.00 0.00 H new ATOM 1539 N GLU A 103 -26.874 -9.069 10.470 1.00 0.00 N ATOM 1540 CA GLU A 103 -26.842 -10.444 9.995 1.00 0.00 C ATOM 1541 C GLU A 103 -26.434 -11.397 11.120 1.00 0.00 C ATOM 1542 O GLU A 103 -26.226 -12.587 10.883 1.00 0.00 O ATOM 1543 CB GLU A 103 -25.888 -10.558 8.804 1.00 0.00 C ATOM 1544 CG GLU A 103 -26.340 -9.670 7.644 1.00 0.00 C ATOM 1545 CD GLU A 103 -25.426 -9.847 6.437 1.00 0.00 C ATOM 1546 OE1 GLU A 103 -24.338 -9.228 6.441 1.00 0.00 O ATOM 1547 OE2 GLU A 103 -25.820 -10.598 5.517 1.00 0.00 O ATOM 0 H GLU A 103 -25.990 -8.760 10.875 1.00 0.00 H new ATOM 0 HA GLU A 103 -27.842 -10.729 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -24.882 -10.273 9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -25.838 -11.595 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -27.365 -9.918 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -26.338 -8.626 7.957 1.00 0.00 H new ATOM 1554 N MET A 104 -26.316 -10.877 12.345 1.00 0.00 N ATOM 1555 CA MET A 104 -25.899 -11.669 13.494 1.00 0.00 C ATOM 1556 C MET A 104 -27.037 -12.574 13.969 1.00 0.00 C ATOM 1557 O MET A 104 -26.794 -13.674 14.461 1.00 0.00 O ATOM 1558 CB MET A 104 -25.489 -10.711 14.610 1.00 0.00 C ATOM 1559 CG MET A 104 -24.896 -11.466 15.800 1.00 0.00 C ATOM 1560 SD MET A 104 -23.250 -12.152 15.500 1.00 0.00 S ATOM 1561 CE MET A 104 -22.360 -10.582 15.373 1.00 0.00 C ATOM 0 H MET A 104 -26.507 -9.899 12.562 1.00 0.00 H new ATOM 0 HA MET A 104 -25.060 -12.307 13.216 1.00 0.00 H new ATOM 0 HB2 MET A 104 -24.759 -9.997 14.229 1.00 0.00 H new ATOM 0 HB3 MET A 104 -26.356 -10.137 14.936 1.00 0.00 H new ATOM 0 HG2 MET A 104 -24.846 -10.791 16.655 1.00 0.00 H new ATOM 0 HG3 MET A 104 -25.571 -12.277 16.074 1.00 0.00 H new ATOM 0 HE1 MET A 104 -21.305 -10.743 15.593 1.00 0.00 H new ATOM 0 HE2 MET A 104 -22.463 -10.186 14.363 1.00 0.00 H new ATOM 0 HE3 MET A 104 -22.775 -9.870 16.086 1.00 0.00 H new ATOM 1571 N TYR A 105 -28.279 -12.102 13.817 1.00 0.00 N ATOM 1572 CA TYR A 105 -29.471 -12.829 14.239 1.00 0.00 C ATOM 1573 C TYR A 105 -30.561 -12.777 13.169 1.00 0.00 C ATOM 1574 O TYR A 105 -31.566 -13.483 13.276 1.00 0.00 O ATOM 1575 CB TYR A 105 -29.996 -12.214 15.538 1.00 0.00 C ATOM 1576 CG TYR A 105 -29.046 -12.323 16.707 1.00 0.00 C ATOM 1577 CD1 TYR A 105 -28.070 -11.335 16.919 1.00 0.00 C ATOM 1578 CD2 TYR A 105 -29.144 -13.413 17.582 1.00 0.00 C ATOM 1579 CE1 TYR A 105 -27.202 -11.430 18.018 1.00 0.00 C ATOM 1580 CE2 TYR A 105 -28.275 -13.519 18.679 1.00 0.00 C ATOM 1581 CZ TYR A 105 -27.301 -12.524 18.902 1.00 0.00 C ATOM 1582 OH TYR A 105 -26.463 -12.624 19.972 1.00 0.00 O ATOM 0 H TYR A 105 -28.482 -11.197 13.394 1.00 0.00 H new ATOM 0 HA TYR A 105 -29.204 -13.874 14.396 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -30.219 -11.161 15.363 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -30.935 -12.699 15.802 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -27.988 -10.502 16.236 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -29.891 -14.174 17.412 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -26.458 -10.665 18.186 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -28.352 -14.361 19.351 1.00 0.00 H new ATOM 0 HH TYR A 105 -26.671 -13.439 20.475 1.00 0.00 H new ATOM 1592 N GLY A 106 -30.371 -11.945 12.140 1.00 0.00 N ATOM 1593 CA GLY A 106 -31.325 -11.783 11.055 1.00 0.00 C ATOM 1594 C GLY A 106 -32.598 -11.096 11.535 1.00 0.00 C ATOM 1595 O GLY A 106 -32.714 -10.759 12.711 1.00 0.00 O ATOM 1596 OXT GLY A 106 -33.520 -10.867 10.772 1.00 0.00 O ATOM 0 H GLY A 106 -29.540 -11.362 12.042 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -30.873 -11.197 10.255 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -31.572 -12.759 10.636 1.00 0.00 H new TER 1600 GLY A 106 ATOM 1601 O5' A B 1 3.750 -14.297 8.785 1.00 0.00 O ATOM 1602 C5' A B 1 3.215 -13.102 8.248 1.00 0.00 C ATOM 1603 C4' A B 1 3.550 -11.926 9.172 1.00 0.00 C ATOM 1604 O4' A B 1 4.940 -11.636 9.136 1.00 0.00 O ATOM 1605 C3' A B 1 2.886 -10.652 8.661 1.00 0.00 C ATOM 1606 O3' A B 1 2.842 -9.673 9.682 1.00 0.00 O ATOM 1607 C2' A B 1 3.850 -10.241 7.555 1.00 0.00 C ATOM 1608 O2' A B 1 3.872 -8.838 7.391 1.00 0.00 O ATOM 1609 C1' A B 1 5.201 -10.781 8.032 1.00 0.00 C ATOM 1610 N9 A B 1 5.904 -11.463 6.920 1.00 0.00 N ATOM 1611 C8 A B 1 6.114 -10.987 5.650 1.00 0.00 C ATOM 1612 N7 A B 1 6.773 -11.802 4.875 1.00 0.00 N ATOM 1613 C5 A B 1 7.022 -12.903 5.692 1.00 0.00 C ATOM 1614 C6 A B 1 7.690 -14.128 5.481 1.00 0.00 C ATOM 1615 N6 A B 1 8.257 -14.473 4.322 1.00 0.00 N ATOM 1616 N1 A B 1 7.766 -15.000 6.494 1.00 0.00 N ATOM 1617 C2 A B 1 7.212 -14.676 7.655 1.00 0.00 C ATOM 1618 N3 A B 1 6.565 -13.569 7.988 1.00 0.00 N ATOM 1619 C4 A B 1 6.500 -12.707 6.943 1.00 0.00 C ATOM 0 H5' A B 1 2.135 -13.193 8.137 1.00 0.00 H new ATOM 0 H5'' A B 1 3.624 -12.924 7.253 1.00 0.00 H new ATOM 0 H4' A B 1 3.214 -12.208 10.170 1.00 0.00 H new ATOM 0 H3' A B 1 1.854 -10.777 8.332 1.00 0.00 H new ATOM 0 H2' A B 1 3.569 -10.634 6.578 1.00 0.00 H new ATOM 0 HO2' A B 1 3.637 -8.406 8.239 1.00 0.00 H new ATOM 0 HO5' A B 1 4.720 -14.312 8.646 1.00 0.00 H new ATOM 0 H1' A B 1 5.868 -9.981 8.353 1.00 0.00 H new ATOM 0 H8 A B 1 5.763 -10.020 5.321 1.00 0.00 H new ATOM 0 H61 A B 1 8.726 -15.374 4.232 1.00 0.00 H new ATOM 0 H62 A B 1 8.221 -13.835 3.527 1.00 0.00 H new ATOM 0 H2 A B 1 7.301 -15.417 8.436 1.00 0.00 H new ATOM 1631 P U B 2 1.656 -9.669 10.767 1.00 0.00 P ATOM 1632 OP1 U B 2 2.024 -8.738 11.861 1.00 0.00 O ATOM 1633 OP2 U B 2 1.301 -11.070 11.088 1.00 0.00 O ATOM 1634 O5' U B 2 0.435 -9.024 9.940 1.00 0.00 O ATOM 1635 C5' U B 2 0.362 -7.627 9.723 1.00 0.00 C ATOM 1636 C4' U B 2 -0.933 -7.243 9.000 1.00 0.00 C ATOM 1637 O4' U B 2 -0.837 -7.544 7.611 1.00 0.00 O ATOM 1638 C3' U B 2 -2.130 -8.014 9.558 1.00 0.00 C ATOM 1639 O3' U B 2 -3.292 -7.214 9.501 1.00 0.00 O ATOM 1640 C2' U B 2 -2.217 -9.178 8.584 1.00 0.00 C ATOM 1641 O2' U B 2 -3.509 -9.753 8.536 1.00 0.00 O ATOM 1642 C1' U B 2 -1.824 -8.508 7.275 1.00 0.00 C ATOM 1643 N1 U B 2 -1.302 -9.544 6.361 1.00 0.00 N ATOM 1644 C2 U B 2 -2.129 -10.014 5.350 1.00 0.00 C ATOM 1645 O2 U B 2 -3.247 -9.551 5.137 1.00 0.00 O ATOM 1646 N3 U B 2 -1.627 -11.049 4.581 1.00 0.00 N ATOM 1647 C4 U B 2 -0.390 -11.650 4.737 1.00 0.00 C ATOM 1648 O4 U B 2 -0.056 -12.589 4.018 1.00 0.00 O ATOM 1649 C5 U B 2 0.416 -11.073 5.786 1.00 0.00 C ATOM 1650 C6 U B 2 -0.045 -10.050 6.541 1.00 0.00 C ATOM 0 H5' U B 2 1.220 -7.303 9.134 1.00 0.00 H new ATOM 0 H5'' U B 2 0.416 -7.105 10.678 1.00 0.00 H new ATOM 0 H4' U B 2 -1.077 -6.173 9.153 1.00 0.00 H new ATOM 0 H3' U B 2 -2.033 -8.318 10.600 1.00 0.00 H new ATOM 0 H2' U B 2 -1.584 -10.024 8.852 1.00 0.00 H new ATOM 0 HO2' U B 2 -4.177 -9.076 8.773 1.00 0.00 H new ATOM 0 H1' U B 2 -2.658 -8.020 6.771 1.00 0.00 H new ATOM 0 H3 U B 2 -2.222 -11.401 3.831 1.00 0.00 H new ATOM 0 H5 U B 2 1.405 -11.465 5.971 1.00 0.00 H new ATOM 0 H6 U B 2 0.593 -9.624 7.301 1.00 0.00 H new ATOM 1661 P U B 3 -3.646 -6.218 10.716 1.00 0.00 P ATOM 1662 OP1 U B 3 -2.378 -5.639 11.221 1.00 0.00 O ATOM 1663 OP2 U B 3 -4.538 -6.934 11.653 1.00 0.00 O ATOM 1664 O5' U B 3 -4.480 -5.040 10.012 1.00 0.00 O ATOM 1665 C5' U B 3 -5.737 -5.288 9.418 1.00 0.00 C ATOM 1666 C4' U B 3 -6.402 -3.947 9.108 1.00 0.00 C ATOM 1667 O4' U B 3 -7.469 -4.133 8.186 1.00 0.00 O ATOM 1668 C3' U B 3 -6.963 -3.347 10.398 1.00 0.00 C ATOM 1669 O3' U B 3 -6.741 -1.948 10.438 1.00 0.00 O ATOM 1670 C2' U B 3 -8.434 -3.715 10.272 1.00 0.00 C ATOM 1671 O2' U B 3 -9.302 -2.823 10.936 1.00 0.00 O ATOM 1672 C1' U B 3 -8.667 -3.665 8.771 1.00 0.00 C ATOM 1673 N1 U B 3 -9.834 -4.502 8.415 1.00 0.00 N ATOM 1674 C2 U B 3 -10.953 -3.891 7.861 1.00 0.00 C ATOM 1675 O2 U B 3 -10.999 -2.690 7.616 1.00 0.00 O ATOM 1676 N3 U B 3 -12.035 -4.709 7.592 1.00 0.00 N ATOM 1677 C4 U B 3 -12.099 -6.072 7.830 1.00 0.00 C ATOM 1678 O4 U B 3 -13.117 -6.703 7.564 1.00 0.00 O ATOM 1679 C5 U B 3 -10.891 -6.626 8.394 1.00 0.00 C ATOM 1680 C6 U B 3 -9.814 -5.847 8.655 1.00 0.00 C ATOM 0 H5' U B 3 -6.364 -5.875 10.089 1.00 0.00 H new ATOM 0 H5'' U B 3 -5.616 -5.870 8.505 1.00 0.00 H new ATOM 0 H4' U B 3 -5.660 -3.277 8.675 1.00 0.00 H new ATOM 0 H3' U B 3 -6.508 -3.709 11.320 1.00 0.00 H new ATOM 0 H2' U B 3 -8.645 -4.680 10.734 1.00 0.00 H new ATOM 0 HO2' U B 3 -8.874 -2.500 11.757 1.00 0.00 H new ATOM 0 H1' U B 3 -8.896 -2.662 8.412 1.00 0.00 H new ATOM 0 H3 U B 3 -12.859 -4.270 7.182 1.00 0.00 H new ATOM 0 H5 U B 3 -10.845 -7.683 8.612 1.00 0.00 H new ATOM 0 H6 U B 3 -8.921 -6.298 9.061 1.00 0.00 H new ATOM 1691 P U B 4 -6.661 -1.177 11.853 1.00 0.00 P ATOM 1692 OP1 U B 4 -5.482 -1.697 12.584 1.00 0.00 O ATOM 1693 OP2 U B 4 -7.994 -1.237 12.491 1.00 0.00 O ATOM 1694 O5' U B 4 -6.364 0.360 11.463 1.00 0.00 O ATOM 1695 C5' U B 4 -7.313 1.105 10.729 1.00 0.00 C ATOM 1696 C4' U B 4 -6.948 2.590 10.684 1.00 0.00 C ATOM 1697 O4' U B 4 -7.811 3.202 9.735 1.00 0.00 O ATOM 1698 C3' U B 4 -7.210 3.256 12.038 1.00 0.00 C ATOM 1699 O3' U B 4 -6.432 4.430 12.201 1.00 0.00 O ATOM 1700 C2' U B 4 -8.668 3.657 11.883 1.00 0.00 C ATOM 1701 O2' U B 4 -9.037 4.717 12.745 1.00 0.00 O ATOM 1702 C1' U B 4 -8.705 4.063 10.419 1.00 0.00 C ATOM 1703 N1 U B 4 -10.089 4.005 9.894 1.00 0.00 N ATOM 1704 C2 U B 4 -10.648 5.188 9.435 1.00 0.00 C ATOM 1705 O2 U B 4 -10.032 6.248 9.418 1.00 0.00 O ATOM 1706 N3 U B 4 -11.953 5.122 8.989 1.00 0.00 N ATOM 1707 C4 U B 4 -12.732 3.981 8.938 1.00 0.00 C ATOM 1708 O4 U B 4 -13.877 4.025 8.492 1.00 0.00 O ATOM 1709 C5 U B 4 -12.078 2.795 9.441 1.00 0.00 C ATOM 1710 C6 U B 4 -10.801 2.835 9.892 1.00 0.00 C ATOM 0 H5' U B 4 -8.298 0.985 11.179 1.00 0.00 H new ATOM 0 H5'' U B 4 -7.377 0.714 9.713 1.00 0.00 H new ATOM 0 H4' U B 4 -5.894 2.699 10.429 1.00 0.00 H new ATOM 0 H3' U B 4 -6.976 2.615 12.888 1.00 0.00 H new ATOM 0 H2' U B 4 -9.374 2.869 12.147 1.00 0.00 H new ATOM 0 HO2' U B 4 -8.231 5.176 13.062 1.00 0.00 H new ATOM 0 H1' U B 4 -8.389 5.096 10.276 1.00 0.00 H new ATOM 0 H3 U B 4 -12.380 5.991 8.669 1.00 0.00 H new ATOM 0 H5 U B 4 -12.617 1.859 9.458 1.00 0.00 H new ATOM 0 H6 U B 4 -10.337 1.930 10.256 1.00 0.00 H new ATOM 1721 P U B 5 -5.034 4.417 13.002 1.00 0.00 P ATOM 1722 OP1 U B 5 -4.715 3.024 13.385 1.00 0.00 O ATOM 1723 OP2 U B 5 -5.105 5.467 14.043 1.00 0.00 O ATOM 1724 O5' U B 5 -3.971 4.897 11.896 1.00 0.00 O ATOM 1725 C5' U B 5 -3.313 3.962 11.070 1.00 0.00 C ATOM 1726 C4' U B 5 -2.470 4.660 9.997 1.00 0.00 C ATOM 1727 O4' U B 5 -3.303 5.113 8.940 1.00 0.00 O ATOM 1728 C3' U B 5 -1.723 5.870 10.566 1.00 0.00 C ATOM 1729 O3' U B 5 -0.475 6.004 9.909 1.00 0.00 O ATOM 1730 C2' U B 5 -2.677 7.011 10.219 1.00 0.00 C ATOM 1731 O2' U B 5 -2.014 8.243 10.029 1.00 0.00 O ATOM 1732 C1' U B 5 -3.308 6.528 8.920 1.00 0.00 C ATOM 1733 N1 U B 5 -4.682 7.047 8.768 1.00 0.00 N ATOM 1734 C2 U B 5 -4.956 7.825 7.654 1.00 0.00 C ATOM 1735 O2 U B 5 -4.107 8.077 6.800 1.00 0.00 O ATOM 1736 N3 U B 5 -6.245 8.312 7.549 1.00 0.00 N ATOM 1737 C4 U B 5 -7.277 8.089 8.445 1.00 0.00 C ATOM 1738 O4 U B 5 -8.386 8.576 8.247 1.00 0.00 O ATOM 1739 C5 U B 5 -6.907 7.262 9.574 1.00 0.00 C ATOM 1740 C6 U B 5 -5.650 6.774 9.696 1.00 0.00 C ATOM 0 H5' U B 5 -4.049 3.315 10.593 1.00 0.00 H new ATOM 0 H5'' U B 5 -2.673 3.323 11.679 1.00 0.00 H new ATOM 0 H4' U B 5 -1.746 3.931 9.632 1.00 0.00 H new ATOM 0 H3' U B 5 -1.491 5.818 11.630 1.00 0.00 H new ATOM 0 H2' U B 5 -3.391 7.212 11.018 1.00 0.00 H new ATOM 0 HO2' U B 5 -1.285 8.326 10.679 1.00 0.00 H new ATOM 0 H1' U B 5 -2.737 6.897 8.068 1.00 0.00 H new ATOM 0 H3 U B 5 -6.456 8.890 6.735 1.00 0.00 H new ATOM 0 H5 U B 5 -7.644 7.031 10.329 1.00 0.00 H new ATOM 0 H6 U B 5 -5.405 6.154 10.546 1.00 0.00 H new ATOM 1751 P U B 6 0.777 6.709 10.642 1.00 0.00 P ATOM 1752 OP1 U B 6 1.370 5.735 11.590 1.00 0.00 O ATOM 1753 OP2 U B 6 0.353 8.040 11.133 1.00 0.00 O ATOM 1754 O5' U B 6 1.810 6.928 9.422 1.00 0.00 O ATOM 1755 C5' U B 6 2.423 5.813 8.811 1.00 0.00 C ATOM 1756 C4' U B 6 3.167 6.186 7.526 1.00 0.00 C ATOM 1757 O4' U B 6 2.305 6.864 6.619 1.00 0.00 O ATOM 1758 C3' U B 6 4.371 7.086 7.803 1.00 0.00 C ATOM 1759 O3' U B 6 5.398 6.679 6.912 1.00 0.00 O ATOM 1760 C2' U B 6 3.792 8.470 7.518 1.00 0.00 C ATOM 1761 O2' U B 6 4.772 9.409 7.124 1.00 0.00 O ATOM 1762 C1' U B 6 2.759 8.195 6.428 1.00 0.00 C ATOM 1763 N1 U B 6 1.664 9.183 6.522 1.00 0.00 N ATOM 1764 C2 U B 6 1.883 10.450 5.994 1.00 0.00 C ATOM 1765 O2 U B 6 2.938 10.775 5.450 1.00 0.00 O ATOM 1766 N3 U B 6 0.840 11.353 6.108 1.00 0.00 N ATOM 1767 C4 U B 6 -0.396 11.094 6.670 1.00 0.00 C ATOM 1768 O4 U B 6 -1.267 11.956 6.681 1.00 0.00 O ATOM 1769 C5 U B 6 -0.534 9.761 7.207 1.00 0.00 C ATOM 1770 C6 U B 6 0.475 8.865 7.119 1.00 0.00 C ATOM 0 H5' U B 6 1.664 5.064 8.584 1.00 0.00 H new ATOM 0 H5'' U B 6 3.121 5.356 9.512 1.00 0.00 H new ATOM 0 H4' U B 6 3.514 5.249 7.089 1.00 0.00 H new ATOM 0 H3' U B 6 4.814 7.055 8.798 1.00 0.00 H new ATOM 0 H2' U B 6 3.357 8.934 8.403 1.00 0.00 H new ATOM 0 HO2' U B 6 4.370 10.068 6.520 1.00 0.00 H new ATOM 0 H1' U B 6 3.180 8.293 5.428 1.00 0.00 H new ATOM 0 H3 U B 6 0.998 12.293 5.745 1.00 0.00 H new ATOM 0 H5 U B 6 -1.458 9.475 7.687 1.00 0.00 H new ATOM 0 H6 U B 6 0.339 7.875 7.530 1.00 0.00 H new ATOM 1781 P C B 7 6.908 7.229 7.037 1.00 0.00 P ATOM 1782 OP1 C B 7 7.833 6.086 6.852 1.00 0.00 O ATOM 1783 OP2 C B 7 7.012 8.064 8.255 1.00 0.00 O ATOM 1784 O5' C B 7 7.038 8.185 5.750 1.00 0.00 O ATOM 1785 C5' C B 7 7.108 7.622 4.456 1.00 0.00 C ATOM 1786 C4' C B 7 7.075 8.720 3.389 1.00 0.00 C ATOM 1787 O4' C B 7 8.310 9.413 3.347 1.00 0.00 O ATOM 1788 C3' C B 7 6.949 8.101 2.004 1.00 0.00 C ATOM 1789 O3' C B 7 6.562 9.096 1.073 1.00 0.00 O ATOM 1790 C2' C B 7 8.387 7.650 1.779 1.00 0.00 C ATOM 1791 O2' C B 7 8.709 7.589 0.403 1.00 0.00 O ATOM 1792 C1' C B 7 9.222 8.699 2.520 1.00 0.00 C ATOM 1793 N1 C B 7 10.348 8.084 3.279 1.00 0.00 N ATOM 1794 C2 C B 7 10.840 8.729 4.414 1.00 0.00 C ATOM 1795 O2 C B 7 10.397 9.815 4.786 1.00 0.00 O ATOM 1796 N3 C B 7 11.840 8.139 5.122 1.00 0.00 N ATOM 1797 C4 C B 7 12.365 6.982 4.723 1.00 0.00 C ATOM 1798 N4 C B 7 13.332 6.436 5.461 1.00 0.00 N ATOM 1799 C5 C B 7 11.921 6.323 3.539 1.00 0.00 C ATOM 1800 C6 C B 7 10.917 6.912 2.850 1.00 0.00 C ATOM 0 H5' C B 7 6.274 6.936 4.306 1.00 0.00 H new ATOM 0 H5'' C B 7 8.023 7.038 4.356 1.00 0.00 H new ATOM 0 H4' C B 7 6.240 9.374 3.639 1.00 0.00 H new ATOM 0 H3' C B 7 6.212 7.305 1.901 1.00 0.00 H new ATOM 0 H2' C B 7 8.571 6.641 2.147 1.00 0.00 H new ATOM 0 HO2' C B 7 9.648 7.328 0.298 1.00 0.00 H new ATOM 0 HO3' C B 7 7.166 9.075 0.302 1.00 0.00 H new ATOM 0 H1' C B 7 9.714 9.380 1.826 1.00 0.00 H new ATOM 0 H41 C B 7 13.751 5.550 5.178 1.00 0.00 H new ATOM 0 H42 C B 7 13.653 6.904 6.309 1.00 0.00 H new ATOM 0 H5 C B 7 12.366 5.396 3.208 1.00 0.00 H new ATOM 0 H6 C B 7 10.556 6.450 1.943 1.00 0.00 H new TER 1812 C B 7